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Sample records for metal halide crystals

  1. Treatment of alcaline metals halides for developing crystals

    International Nuclear Information System (INIS)

    Spurney, R.W.

    1974-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Shuigen Li

    2018-05-01

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

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

    KAUST Repository

    Zhumekenov, Ayan A.; Burlakov, Victor M.; Saidaminov, Makhsud I.; Alofi, Abdulilah; Haque, Mohammed; Turedi, Bekir; Davaasuren, Bambar; Dursun, Ibrahim; Cho, Nam Chul; El-Zohry, Ahmed M.; de Bastiani, Michele; Giugni, Andrea; Torre, Bruno; Di Fabrizio, Enzo M.; Mohammed, Omar F.; Rothenberger, Alexander; Wu, Tao; Goriely, Alain; Bakr, Osman

    2017-01-01

    The exciting intrinsic properties discovered in single crystals of metal halide perovskites still await their translation into optoelectronic devices. The poor understanding and control of the crystallization process of these materials are current

  4. 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

  5. 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.

  6. Methods for producing single crystal mixed halide perovskites

    Science.gov (United States)

    Zhu, Kai; Zhao, Yixin

    2017-07-11

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

  7. Defect-induced local variation of crystal phase transition temperature in metal-halide perovskites.

    Science.gov (United States)

    Dobrovolsky, Alexander; Merdasa, Aboma; Unger, Eva L; Yartsev, Arkady; Scheblykin, Ivan G

    2017-06-26

    Solution-processed organometal halide perovskites are hybrid crystalline semiconductors highly interesting for low-cost and efficient optoelectronics. Their properties are dependent on the crystal structure. Literature shows a variety of crystal phase transition temperatures and often a spread of the transition over tens of degrees Kelvin. We explain this inconsistency by demonstrating that the temperature of the tetragonal-to-orthorhombic phase transition in methylammonium lead triiodide depends on the concentration and nature of local defects. Phase transition in individual nanowires was studied by photoluminescence microspectroscopy and super-resolution imaging. We propose that upon cooling from 160 to 140 K, domains of the crystal containing fewer defects stay in the tetragonal phase longer than highly defected domains that readily transform to the high bandgap orthorhombic phase at higher temperatures. The existence of relatively pure tetragonal domains during the phase transition leads to drastic photoluminescence enhancement, which is inhomogeneously distributed across perovskite microcrystals.Understanding crystal phase transition in materials is of fundamental importance. Using luminescence spectroscopy and super-resolution imaging, Dobrovolsky et al. study the transition from the tetragonal to orthorhombic crystal phase in methylammonium lead triiodide nanowires at low temperature.

  8. 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.)

  9. 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)

  10. 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

  11. 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

  12. 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

  13. luminescence in coloured alkali halide crystals

    Indian Academy of Sciences (India)

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

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

    Science.gov (United States)

    Fried, S.

    1951-03-20

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

  15. 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)

  16. Structure and energetics of trivalent metal halides

    International Nuclear Information System (INIS)

    Hutchinson, F.

    1999-01-01

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

  17. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

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

    2013-01-01

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

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

    KAUST Repository

    Peng, Wei

    2017-01-01

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

  19. 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.

  20. Self-trapped holes in alkali silver halide crystals

    International Nuclear Information System (INIS)

    Awano, T.; Ikezawa, M.; Matsuyama, T.

    1995-01-01

    γ-Ray irradiation at 77 K induces defects in M 2 AgX 3 (M=Rb, K and NH 4 ; X=Br and I) crystals. The irradiation induces self-trapped holes of the form of I 0 in the case of alkali silver iodides, and (halogen) 2 - and (halogen) 0 in the case of ammonium silver halides. The (halogen) 0 is weakly coupled with the nearest alkali metal ion or ammonium ion. It is able to be denoted as RbI + , KI + , NH 4 I + or NH 4 Br + . The directions of hole distribution of (halogen) 2 - and (halogen) 0 were different in each case of the alkali silver iodides, ammonium silver halides and mixed crystal of them. The (halogen) 0 decayed at 160 K in annealing process. The (halogen) 2 - was converted into another form of (halogen) 2 - at 250 K and this decayed at 310 K. A formation of metallic layers was observed on the crystal surface parallel with the c-plane of (NH 4 ) 2 AgI 3 irradiated at room temperature. (author)

  1. Complexes in polyvalent metal - Alkali halide melts

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1991-03-01

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

  2. Halide based MBE of crystalline metals and oxides

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-02-15

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

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

    NARCIS (Netherlands)

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

    2006-01-01

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

  5. 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

  6. Thermomechanical measurements of lead halide single crystals

    Czech Academy of Sciences Publication Activity Database

    Nitsch, Karel; Rodová, Miroslava

    2002-01-01

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

  7. Development and melt growth of novel scintillating halide crystals

    Science.gov (United States)

    Yoshikawa, Akira; Yokota, Yuui; Shoji, Yasuhiro; Kral, Robert; Kamada, Kei; Kurosawa, Shunsuke; Ohashi, Yuji; Arakawa, Mototaka; Chani, Valery I.; Kochurikhin, Vladimir V.; Yamaji, Akihiro; Andrey, Medvedev; Nikl, Martin

    2017-12-01

    Melt growth of scintillating halide crystals is reviewed. The vertical Bridgman growth technique is still considered as very popular method that enables production of relatively large and commercially attractive crystals. On the other hand, the micro-pulling-down method is preferable when fabrication of small samples, sufficient for preliminary characterization of their optical and/or scintillation performance, is required. Moreover, bulk crystal growth is also available using the micro-pulling-down furnace. The examples of growths of various halide crystals by industrially friendly melt growth techniques including Czochralski and edge-defined film-fed growth methods are also discussed. Finally, traveling molten zone growth that in some degree corresponds to horizontal zone melting is briefly overviewed.

  8. High temperature reactions between molybdenum and metal halides

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  9. 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

  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. 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.

  12. EPR study of electron bombarded alkali- and alkaline-earth halide crystal surfaces

    Science.gov (United States)

    Fryburg, G. C.; Lad, R. A.

    1975-01-01

    An EPR study of electron bombarded LiF, NaCl, KCl, CaF2 and BaF2 polycrystalline surfaces has shown that small metal particles are formed on the surfaces of the crystals. Identification was made from CESR signals. The symmetric line-shape of the signals, even at 77 K, indicated that the particles were less than 0.5 micron in diameter. Signals due to F centers were observed in LiF but not in the other halides. Implications to metal deposition are considered.

  13. 78 FR 51463 - Energy Conservation Program: Energy Conservation Standards for Metal Halide Lamp Fixtures

    Science.gov (United States)

    2013-08-20

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

  14. Irradiation damage of alkali halide crystals during positron bombardment

    International Nuclear Information System (INIS)

    Arefiev, K.P.; Arefiev, V.P.; Vorobiev, S.A.

    1978-01-01

    The bleaching effect of positron irradiation of KCl and KBr single crystals previously coloured with electrons or protons was investigated. Positrons injection in the coloured alkali halide samples reduced the F-centres concentration considerably. For KCl crystals thicker than the positrons range the appearance of additional bands in the absorption spectra is noticeable. The experimental data show that the bleaching phenomenon should be observed merely throughout the positron exposure both for irradiated and non-irradiated regions of the sample. Irradiation effects, due to positron source, on the peak counting rate of (γ-γ) angular correlation in KCl crystals under applied magnetic field were also investigated. The growth of peak counting rate shows the increase of positronium-like states formation near defects of cation sublattice. (author)

  15. 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 ...

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

    NARCIS (Netherlands)

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

    2006-01-01

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

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

    NARCIS (Netherlands)

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

    2005-01-01

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

  18. Alternative route to metal halide free ionic liquids

    International Nuclear Information System (INIS)

    Takao, Koichiro; Ikeda, Yasuhisa

    2008-01-01

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

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

    NARCIS (Netherlands)

    Flikweert, A.J.

    2008-01-01

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

  20. 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

  1. 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...

  2. Transmission electron microscopy of weakly deformed alkali halide crystals

    International Nuclear Information System (INIS)

    Strunk, H.

    1976-01-01

    Transmission electron microscopy (TEM) is applied to the investigation of the dislocation arrangement of [001]-orientated alkali halide crystals (orientation four quadruple slip) deformed into stage I of the work-hardenig curve. The investigations pertain mainly to NaCl - (0.1-1) mole-% NaBr crystals, because these exhibit a relatively long stage I. The time available for observing the specimens is limited by the ionization radiation damage occuring in the microscope. An optimum reduction of the damage rate is achieved by a combination of several experimental techniques that are briefly outlined. The crystals deform essentially in single glide. According to the observations, stage I deformation of pure and weakly alloyed NaCl crystals is characterized by the glide of screw dislocations, which bow out between jogs and drag dislocation dipoles behind them. In crystals with >= 0.5 mole-% NaBr this process is not observed to occur. This is attributed to the increased importance of solid solution hardening. (orig.) [de

  3. Halides of BET-TTF: novel hydrated molecular metals

    Energy Technology Data Exchange (ETDEWEB)

    Laukhina, E.; Ribera, E.; Vidal-Gancedo, J.; Canadell, E.; Veciana, J.; Rovira, C. [Universidad Autonoma de Barcelona, Bellaterra (Spain). Inst. de Ciencia de Materials; Khasanov, S.; Zorina, L.; Shibaeva, R. [Rossijskaya Akademiya Nauk, Chernogolovka (Russian Federation). Inst. Fiziki Tverdogo Tela; Laukhin, V. [Inst. of Problems of Chemical Physics, RAS, Chernogolovka (Russian Federation); Honold, M.; Nam, M.-S.; Singleton, J. [Clarendon Lab., Univ. of Oxford (United Kingdom)

    2000-01-07

    A hint of superconducting transition has been observed for the first time in a cation radical salt derived from bisethylenethio-tetrathiafulvalene (BET-TTF), the salt (BET-TTF){sub 2}Br.3H{sub 2}O. Here the synthesis, X-ray structure, and physical properties of two hydrated halides of BET-TTF that are isostructural and present stable metallic properties are described. (orig.)

  4. Metal-halide lamp design: atomic and molecular data needed

    International Nuclear Information System (INIS)

    Lapatovich, Walter P

    2009-01-01

    Metal-halide lamps are a subset of high intensity discharge (HID) lamps so named because of their high radiance. These lamps are low temperature (∼0.5 eV), weakly ionized plasmas sustained in refractory but light transmissive envelopes by the passage of electric current through atomic and molecular vapors. For commercial applications, the conversion of electric power to light must occur with good efficiency and with sufficient spectral content throughout the visible (380-780 nm) to permit the light so generated to render colors comparable to natural sunlight. This is achieved by adding multiple metals to a basic mercury discharge. Because the vapor pressure of most metals is very much lower than mercury itself, metal-halide salts of the desired metals, having higher vapor pressures, are used to introduce the material into the basic discharge. The metal compounds are usually polyatomic iodides, which vaporize and subsequently dissociate as they diffuse into the bulk plasma. Metals with multiple visible transitions are necessary to achieve high photometric efficiency (efficacy) and good color. Compounds of Sc, Dy, Ho, Tm, Ce, Pr, Yb and Nd are commonly used. The electrons, atoms and radicals are in local thermodynamic equilibrium (LTE), but not with the radiation field. Strong thermal (10 6 K m -1 ) and density gradients are sustained in the discharge. Atomic radiation produced in the high-temperature core transits through colder gas regions where it interacts with cold atoms and un-dissociated molecules before exiting the lamp. Power balance and spectral output of the lamp are directly affected by the strength of atomic transitions. Attempts to simulate the radiative output of functional metal-halide lamps have been successful only in very simple cases. More data (e.g. the atomic transition probabilities of Ce i) are necessary to improve lamp performance, to select appropriate radiators and in scaling the lamp geometry to various wattages for specific applications.

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

    International Nuclear Information System (INIS)

    Belloni, Jacqueline

    2003-01-01

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

  6. Lamp-Ballast Compatibility Index for Efficient Ceramic Metal Halide Lamp Operation

    OpenAIRE

    Sourish Chatterjee

    2013-01-01

    Development of energy efficient products and exploration of energy saving potential are major challenges for present day’s technology. Ceramic Metal Halide lamp is the latest improved version of metal halide lamp that finds its wide applications in indoor commercial lighting especially in retail shop lighting. This lamp shows better performance in terms of higher lumen per watt and colour constancy in comparison to conventional metal halide lamp. The inherent negative incremental impedance of...

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

    KAUST Repository

    Bakr, Osman M.

    2016-02-18

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

  8. Crystal structure of transition metal halides TiCl4, α-TiCl3, WCl4 and TiI2

    International Nuclear Information System (INIS)

    Troyanov, S.I.; Snigireva, E.M.

    2000-01-01

    Crystal structures of TiCl 4 , α-TiCl 3 , WCl 4 and TiI 2 are determined by x-ray diffraction method. For crystalline WCl 4 general for phases of this type space group C2/m is confirmed. Linear chains of WCl 6 octahedrons joined through the opposite edges exist in structure. Short W-W distances (2.69 A) in linear chains differentiate the structure of WCl 6 . Laminar structure of TiI 2 is belongs to CdI 2 structural type. Iodine atoms form slightly distorted hexagonal face-centered packing, titanium atoms fill up octahedral hollows in two-layer packing of iodine atoms with Ti-I distances equal 2.903 A [ru

  9. 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.

  10. 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

  11. Melting and liquid structure of polyvalent metal halides

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1992-08-01

    A short review is given of recent progress in determining and understanding liquid structure types and melting mechanisms for halides of polyvalent metals. The nature of the preferred local coordination for the polyvalent metal ion in the melt can usually be ascertained from data on liquid mixtures with halogen-donating alkali halides. The stability of these local coordination states and the connectivity that arises between them in the approach to the pure melt determines the character of its short-range and possible medium-range order. A broad classification of structural and melting behaviours can be given on the basis of measured melting parameters and transport coefficients for many compounds, in combination with the available diffraction data on the liquid structure of several compounds. Correlations have been shown to exist with a simple indicator of the nature of the chemical bond and also with appropriate parameters of ionic models, wherever the latter are usefully applicable for semiquantitative calculations of liquid structure. Consequences on the mechanisms for valence electron localization in solutions of metallic elements into strongly structured molten salts are also briefly discussed. (author). 46 refs, 4 figs, 2 tabs

  12. 10 CFR 431.322 - Definitions concerning metal halide lamp ballasts and fixtures.

    Science.gov (United States)

    2010-01-01

    ... high intensity discharge fixture, the efficiency of a lamp and ballast combination, expressed as a... lamps. Metal halide lamp means a high intensity discharge lamp in which the major portion of the light... 10 Energy 3 2010-01-01 2010-01-01 false Definitions concerning metal halide lamp ballasts and...

  13. 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

  14. Cluster harvesting by successive reduction of a metal halide with a nonconventional reduction agent: a benefit for the exploration of metal-rich halide systems.

    Science.gov (United States)

    Ströbele, Markus; Mos, Agnieszka; Meyer, Hans-Jürgen

    2013-06-17

    The preparation of thermally labile compounds is a great temptation in chemistry which requires a careful selection of reaction media and reaction conditions. With a new scanning technique denoted here as Cluster Harvesting, a whole series of metal halide compounds is detected by differential thermal analysis (DTA) in fused silica tubes and structurally characterized by X-ray powder diffraction. Experiments of the reduction of tungsten hexahalides with elemental antimony and iron are presented. A cascade of six compounds is identified during the reduction with antimony, and five compounds or phases are monitored following the reduction with iron. The crystal structure of Fe2W2Cl10 is reported, and two other phases in the Fe-W-Cl system are discussed.

  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. 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 .

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

    International Nuclear Information System (INIS)

    Rodriguez M, R.; Perez S, R.; Vazquez P, G.; Riveros, H.; Gonzalez M, P.

    2014-08-01

    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 x KBr 1-x and KBr x RbBr 1-x . (Author)

  18. 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)

  19. 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.

  20. Metal halide arc discharge lamp having short arc length

    Science.gov (United States)

    Muzeroll, Martin E. (Inventor)

    1994-01-01

    A metal halide arc discharge lamp includes a sealed light-transmissive outer jacket, a light-transmissive shroud located within the outer jacket and an arc tube assembly located within the shroud. The arc tube assembly includes an arc tube, electrodes mounted within the arc tube and a fill material for supporting an arc discharge. The electrodes have a spacing such that an electric field in a range of about 60 to 95 volts per centimeter is established between the electrodes. The diameter of the arc tube and the spacing of the electrodes are selected to provide an arc having an arc diameter to arc length ratio in a range of about 1.6 to 1.8. The fill material includes mercury, sodium iodide, scandium tri-iodide and a rare gas, and may include lithium iodide. The lamp exhibits a high color rendering index, high lumen output and high color temperature.

  1. Phase-resolved response of a metal-halide lamp

    International Nuclear Information System (INIS)

    Flikweert, A J; Beks, M L; Nimalasuriya, T; Kroesen, G M W; Van der Mullen, J J A M; Stoffels, W W

    2009-01-01

    The metal-halide (MH) lamp sometimes shows unwanted colour segregation, caused by a combination of convection and diffusion. In the past we investigated the lamp, running on a switched dc ballast of 120 Hz, using a dc approximation for the distribution of the radiating species. Here we present phase-resolved intensity measurements to verify this approximation. The MH lamp contains Hg as buffer gas and DyI 3 as salt additive; we measure the light emitted by Dy and by Hg atoms. An intensity fluctuation of ∼25% close to the electrodes is found only. The observed fluctuations are explained by the cataphoresis effect and temperature fluctuations; the time scales are in the same order. Furthermore, measurements at higher gravity in a centrifuge (up to 10g) show that the effect becomes smaller at increasing gravity levels. From these results it is concluded that a dc approximation, which is generally assumed by lamp developers, is allowed for this MH lamp.

  2. 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.

  3. Non-hydrolytic metal oxide films for perovskite halide overcoating and stabilization

    Science.gov (United States)

    Martinson, Alex B.; Kim, In Soo

    2017-09-26

    A method of protecting a perovskite halide film from moisture and temperature includes positioning the perovskite halide film in a chamber. The chamber is maintained at a temperature of less than 200 degrees Celsius. An organo-metal compound is inserted into the chamber. A non-hydrolytic oxygen source is subsequently inserted into the chamber. The inserting of the organo-metal compound and subsequent inserting of the non-hydrolytic oxygen source into the chamber is repeated for a predetermined number of cycles. The non-hydrolytic oxygen source and the organo-metal compound interact in the chamber to deposit a non-hydrolytic metal oxide film on perovskite halide film. The non-hydrolytic metal oxide film protects the perovskite halide film from relative humidity of greater than 35% and a temperature of greater than 150 degrees Celsius, respectively.

  4. Modelling current transfer to cathodes in metal halide plasmas

    International Nuclear Information System (INIS)

    Benilov, M S; Cunha, M D; Naidis, G V

    2005-01-01

    This work is concerned with investigation of the main features of current transfer to cathodes under conditions characteristic of metal halide (MH) lamps. It is found that the presence of MHs in the gas phase results in a small decrease of the cathode surface temperature and of the near-cathode voltage drop in the diffuse mode of current transfer; the range of stability of the diffuse mode expands. Effects caused by a variation of the work function of the cathode surface owing to formation of a monolayer of alkali metal atoms on the surface are studied for particular cases where the monolayer is composed of sodium or caesium. It is found that the formation of the sodium monolayer affects the diffuse mode of current transfer only moderately and in the same direction that the presence of metal atoms in the gas phase affects it. Formation of the caesium monolayer produces a dramatic effect: the cathode surface temperature decreases very strongly, the diffuse-mode current-voltage characteristic becomes N-S-shaped

  5. Solution enthalpies of alkali metal halides in water and heavy water mixtures with dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Egorov, G.I.

    1994-01-01

    Solution enthalpies of CsF, LiCl, NaI, CsI and some other halides of alkali metals and tetrabutylammonium have been measured by the method of calorimetry. Standard solution enthalpies of all alkali metals (except rubidium) halides in water and heavy water mixtures with dimethylsulfoxide at 298.15 K have been calculated. Isotopic effects in solvation enthalpy of the electrolytes mentioned in aqueous solutions of dimethylsulfoxide have been discussed. 29 refs., 2 figs., 4 tabs

  6. Influence of electrode, buffer gas and control gear on metal halide lamp performance

    International Nuclear Information System (INIS)

    Lamouri, A; Naruka, A; Sulcs, J; Varanasi, C V; Brumleve, T R

    2005-01-01

    In this paper the influence of electrode composition, buffer gas fill pressure and control gear on the performance of metal halide lamps is investigated. It is shown that pure tungsten electrodes improve lumen maintenance and reduce voltage rise over lamp life. An optimum buffer gas fill pressure condition is discovered which allows for reduced electrode erosion during lamp starting as well as under normal operating conditions. Use of electronic control gear is shown to improve the performance of metal halide lamps

  7. Broadly tunable metal halide perovskites for solid-state light-emission applications

    OpenAIRE

    Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

    2017-01-01

    The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as broad tunability of bandgap, defect tolerance, high photoluminescence quantum efficiency and high emission color purity (narrow full-width at half maximum). In this review, the photophysical propert...

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

    KAUST Repository

    Bakr, Osman; Shi, Dong

    2016-01-01

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

  9. 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.

  10. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-02-20

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

  12. 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.

  13. Luminescent unit computerization to research spectral characteristics of fine film alkali halide crystal

    International Nuclear Information System (INIS)

    Zhalimbetov, T.; Zhabetov, A.; Moldagaliev, A.; Sarmukhanov, E.; Shunkeev, K.; Shunkeev, S.; Abdullin, K.; Tokmoldin, C.

    2002-01-01

    The fundamental optical absorption of ion crystals characterizes the creation of different free low energetic electronic excitation (the excitons and electron-hole pairs), but their straight registration is not possible because of incommensurable big absorption factor of alkali halide monocrystals. So to registration the spectrums of alkali halide monocrystal very fine layers are necessary. We have received fine films of Nal and KCl in system of KCl-Nal-KCl, KCl-KI-KCl on the base of universal vacuum post VUP-4, VUP-5 by thermal evaporation. A unique spectral unit has been created For this on the basic the SDL-2 complex. Complex consists of radiator, systems of condensers, monochromators MDR-12 and MDR-23, receivers of radiation, controller by unit. Connect and control of monochromators by means of IBM-compatible computer has been created. Kinematics schemes of monochromators provide consequent removing on output slot of monochromatic radiation in operating range of each diffraction lattice and indication its wavelength. The tumbling diffraction lattices is done the crossbar engines SHDR-711. For this special plate of control and block of reinforcement for crossbar engines in monochromators MDR-12 and MDR-23 are designed and constructed. Created controller of monochromators consists of double cascade preamplifier on transistors n-p-n type (815G) and logical scheme, constructed on summers and K555 series triggers. The preamplifier is used for reinforcement of signal to available amplifier on transistors KT837D. The logical scheme reduces the number of used categories of bidirectional port and enables unhooking the feeding to the windings of crossbar engine at conservation of previous combination of signals. The connection controller of monochromators is done through controller of port of computer with use the parallel interface. For installing computerized system of collection and data processing is provided marketed by means of modern object-oriented programming

  14. Acoustic and photon emissions during mechanical deformation of coloured alkali halide crystals

    International Nuclear Information System (INIS)

    Chandra, B.P.

    1984-01-01

    Acoustic and photon emissions take place in the elastic and plastic as well as the fracture region of x-irradiated KBr, KCl and NaCl crystals. The rate of photon emission is linear with the strain rate: however, the RMS value of the acoustic emission is proportional to the square root of the strain rate. The acoustic emission is maximum for x-irradiated NaCl crystals; however, the photon emission is maximum for x-irradiated KBr crystals. From the similarity between the acoustic emission and the photon emission, it seems that mobile dislocations are responsible for the acoustic emission in coloured alkali halide crystals. (author)

  15. F-center and self-trapped exciton formation in strongly excited alkali halide crystals

    International Nuclear Information System (INIS)

    Kravchenko, V.A.; Yakovlev, V.Yu.

    1988-01-01

    Method of luminescent and absorption spectroscopy with time resolution was used to study the effect of density of electron pulse excitation (t p =10 -8 s, P=(10 5 -10 8 ) WXcm -2 ) on efficiency of η ε two-halide autolocalized exciton (TALE) and F-centers (η F ) formation in CsI, CsBr, KBr, KI alkali halide crystals. It was established that for all studied systems the elevation of P power of electron beam (EB) from 10 5 up to 5X10 7 WXcm -2 resulted to sufficient decrease of production efficiency and yield of TALE luminescence. In the case when F-centers of colour are induced predominantly by pulsed irradiation in crystals, F-center yield is independent of P. If F-centers and TALE are produced in comparable amounts (CsBr crystals, T=80 K), η ε decrease with P growth is accompanied by η F growth

  16. Metal halides vapor lasers with inner reactor and small active volume.

    Science.gov (United States)

    Shiyanov, D. V.; Sukhanov, V. B.; Evtushenko, G. S.

    2018-04-01

    Investigation of the energy characteristics of copper, manganese, lead halide vapor lasers with inner reactor and small active volume 90 cm3 was made. The optimal operating pulse repetition rates, temperatures, and buffer gas pressure for gas discharge tubes with internal and external electrodes are determined. Under identical pump conditions, such systems are not inferior in their characteristics to standard metal halide vapor lasers. It is shown that the use of a zeolite halogen generator provides lifetime laser operation.

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  18. Quantification of Ionic Diffusion in Lead Halide Perovskite Single Crystals

    KAUST Repository

    Peng, Wei

    2018-05-25

    Lead halide perovskites are mixed electronic/ionic semiconductors that have recently revolutionized the photovoltaics field. The physical characterization of the ionic conductivity has been rather elusive due to the highly intermixing of ionic and electronic current. In this work the synthesis of low defect density monocrystalline MAPbBr3 (MA=Methyl ammonium) solar cells free of hole transport layer (HTL) suppresses the effect of electronic current. Impedance spectroscopy reveals the characteristic signature of ionic diffusion (the Warburg element and transmission line equivalent circuit) and ion accumulation at the MAPbBr3/Au interface. Diffusion coefficients are calculated based on a good correlation between thickness of MAPbBr3 and characteristic diffusion transition frequency. In addition, reactive external interfaces are studied by comparison of polycrystalline MAPbBr3 devices prepared either with or without a HTL. The low frequency response in IS measurements is correlated with the chemical reactivity of moving ions with the external interfaces and diffusion into the HTL.

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

    Science.gov (United States)

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

    2015-05-06

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

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

    DEFF Research Database (Denmark)

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

    2014-01-01

    electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) – almost 27000 combinations, and have identified novel mixtures, with significantly improved storage......Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat...

  1. Light scattering in additively colored alkali-halide crystals

    International Nuclear Information System (INIS)

    Trakhbrot, B.M.

    1979-01-01

    Studied is extinction in ultra-violet, visible and infrared spectrum ranges, caused by light scattering in additively colored KCl and KBr crystals. The crystals were prepared of the powder. The specimens were annealed in saturated potassium vapours: KBr - at 600-630 deg C, KCl - at 700 deg C. While investigating the spectra it is observed that the optical density of the specimens processed in such a regime is more than 2 in the ultraviolet and visible spectrum ranges at the 0.1-0.05 cm thickness of the specimens. In the infrared spectra the growth of the extinction coefficient with the wave length decrease is observed. The spectrum character shows IR radiation scattering by the defects in the crystal lattice. The attempt of determination of the scattering centres nature is taken. It is shown that the possible centres causing the light scattering observed can be colloid and quasicolloid centres in the additively colored materials

  2. Third-order elastic moduli for alkali-halide crystals possessing the sodium chloride structure

    International Nuclear Information System (INIS)

    Ray, U.

    2010-01-01

    The values of third-order elastic moduli for alkali halides, having NaCl-type crystal structure are calculated according to the Born-Mayer potential model, considering the repulsive interactions up to the second nearest neighbours and calculating the values of the potential parameters for each crystal, independently, from the compressibility data. This work presents the first published account of the calculation of the third-order elastic moduli taking the actual value of the potential parameter unlike the earlier works. Third-order elastic constants have been computed for alkali halides at 0 and 300 K. The results of the third-order elastic constants are compared with the available experimental and theoretical data. Very good agreement between experimental and theoretical third-order elastic constant data (except C 123 ) is found. We have also computed the values of the pressure derivatives of second-order elastic constants and Anderson-Grueneisen parameter for alkali halides, which agree reasonably well with the experimental values, indicating the satisfactory nature of our computed data for third-order elastic constants.

  3. Analogy between temperature dependent radiation effects in alkali halide crystals and crystalline ammonia

    International Nuclear Information System (INIS)

    Blum, A.

    1977-01-01

    Pikaev, Ershov, and Makarov recently reported the characteristic shape of Arrhenius-type dependence for F-centers slow part (millisecond) decay in alkali halide crystals irradiated at different temperatures. The decay rate is constant when the temperature is below the limiting value (T/sub lim/) and exhibits constant activation energy (E/sub A/) at temperatures above T/sub lim/ up to the melting point. A similar dependence has been observed for crystalline ammonia radiolysis yields (H 2 and N 2 ) in the temperature range from 77 to 195 0 K (ammonia melting point) with a limiting value of 105 0 K for N 2 and 119 0 K for H 2 . The coincidence between the alkali halide and ammonia data does not seem to be formal and there are indications showing a closer analogy between these two cases

  4. 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.

  5. 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.

  6. 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)

  7. 2-D images of the metal-halide lamp obtained by experiment and model

    NARCIS (Netherlands)

    Flikweert, A.J.; Beks, M.L.; Nimalasuriya, T.; Kroesen, G.M.W.; Mullen, van der J.J.A.M.; Stoffels, W.W.

    2008-01-01

    The metal-halide lamp shows color segregation caused by diffusion and convection. Two-dimensional imaging of the arc discharge under varying gravity conditions aids in the understanding of the flow phenomena. In this paper, we show results obtained by experiments and by numerical simulations in

  8. A model for additive transport in metal halide lamps containing mercury and dysprosium tri-iodide

    NARCIS (Netherlands)

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

    2008-01-01

    The distribution of additives in a metal halide lamp is examined through numerical modelling. A model for a lamp containing sodium iodide additives has been modified to study a discharge containing dysprosium tri-iodide salts. To study the complex chemistry the method of Gibbs minimization is used

  9. Transport phenomena in metal-halide lamps : a poly-diagnostic study

    NARCIS (Netherlands)

    Nimalasuriya, T.

    2007-01-01

    Worldwide about 20% of all electricity is used for lighting. It is therefore of great interest to develop a lamp that has high e±cacy, good colour rendering and long lifetime. The metal-halide lamp is a gas discharge lamp that meets all these demands. Unfortunately there are still issues with this

  10. 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.

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

    Science.gov (United States)

    Lin, Yen-Hung; Pattanasattayavong, Pichaya; Anthopoulos, Thomas D

    2017-12-01

    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. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Indian Academy of Sciences (India)

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

  13. 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)

  14. Sodium-Metal-Halide Battery Energy Storage for DoD Installations

    Science.gov (United States)

    2017-10-24

    electrical equipment for AC interface PDE Pacific Data Electric V&F Voltage and Frequency, power quality measurements VA Volt-Amp, units for apparent...Metal-Halide technology could operate at extreme ambient temperatures, but the early prototypes did struggle with managing sand ingress.  The...peak power Not tested 3. PV smoothing Measure improvement in power quality Power meter measurements Power quality improvements 15-min

  15. Development of processes for the production of solar grade silicon from halides and alkali metals

    Science.gov (United States)

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

    1980-01-01

    High temperature reactions of silicon halides with alkali metals for the production of solar grade silicon in volume at low cost were studied. Experiments were performed to evaluate product separation and collection processes, measure heat release parameters for scaling purposes, determine the effects of reactants and/or products on materials of reactor construction, and make preliminary engineering and economic analyses of a scaled-up process.

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

    Science.gov (United States)

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

    2014-09-28

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

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

    Science.gov (United States)

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

    2017-05-24

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

  18. An effective approach to synthesize monolayer tungsten disulphide crystals using tungsten halide precursor

    Energy Technology Data Exchange (ETDEWEB)

    Thangaraja, Amutha; Shinde, Sachin M.; Kalita, Golap, E-mail: kalita.golap@nitech.ac.jp; Tanemura, Masaki [Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)

    2016-02-01

    The synthesis of large-area monolayer tungsten disulphide (WS{sub 2}) single crystal is critical for realistic application in electronic and optical devices. Here, we demonstrate an effective approach to synthesize monolayer WS{sub 2} crystals using tungsten hexachloride (WCl{sub 6}) as a solid precursor in atmospheric chemical vapor deposition process. In this technique, 0.05M solution of WCl{sub 6} in ethanol was drop-casted on SiO{sub 2}/Si substrate to create an even distribution of the precursor, which was reduced and sulfurized at 750 °C in Ar atmosphere. We observed growth of triangular, star-shaped, as well as dendritic WS{sub 2} crystals on the substrate. The crystal geometry evolves with the shape and size of the nuclei as observed from the dendritic structures. These results show that controlling the initial nucleation and growth process, large WS{sub 2} single crystalline monolayer can be grown using the WCl{sub 6} precursor. Our finding shows an easier and effective approach to grow WS{sub 2} monolayer using tungsten halide solution-casting, rather than evaporating the precursor for gas phase reaction.

  19. An effective approach to synthesize monolayer tungsten disulphide crystals using tungsten halide precursor

    International Nuclear Information System (INIS)

    Thangaraja, Amutha; Shinde, Sachin M.; Kalita, Golap; Tanemura, Masaki

    2016-01-01

    The synthesis of large-area monolayer tungsten disulphide (WS 2 ) single crystal is critical for realistic application in electronic and optical devices. Here, we demonstrate an effective approach to synthesize monolayer WS 2 crystals using tungsten hexachloride (WCl 6 ) as a solid precursor in atmospheric chemical vapor deposition process. In this technique, 0.05M solution of WCl 6 in ethanol was drop-casted on SiO 2 /Si substrate to create an even distribution of the precursor, which was reduced and sulfurized at 750 °C in Ar atmosphere. We observed growth of triangular, star-shaped, as well as dendritic WS 2 crystals on the substrate. The crystal geometry evolves with the shape and size of the nuclei as observed from the dendritic structures. These results show that controlling the initial nucleation and growth process, large WS 2 single crystalline monolayer can be grown using the WCl 6 precursor. Our finding shows an easier and effective approach to grow WS 2 monolayer using tungsten halide solution-casting, rather than evaporating the precursor for gas phase reaction

  20. Monitoring of heavy/toxic metals and halides in surface/ground water (abstract)

    International Nuclear Information System (INIS)

    Viqar-un-Nisa; Ahmed, R.; Husain, M.

    1999-01-01

    Water is essential for maintaining physical and social life. Human and animal consumption is perhaps the most evident essential use of water. Water quality and quantity have become critical issues, affecting all life. The importance of water in our lives, combined with the threats, make water resources use a global problem. Among the different pollutants toxic metals, metalloids and halides have special significance. Industrial effluents and municipal wastewater are normally drained into water streams, rivers and other reservoirs thus polluting these significantly. Quality of our water resources especially is an issue, which continues to arouse the attention of concerned scientists, legislators and the general public. Among various pollutant chemicals, the heavy metals and metalloids are present at trace levels in various compartments of the environment. Some metals become toxic even at trace levels because of the important features that distinguishes metals from other pollutants is that they are not biodegradable. The halides like Cl, Br, and I from different sources can enter easily into water systems and then they make their way directly into the human body. The intake of toxic as wells as essential elements through water and other food items like vegetables, milk wheat flour etc. is significant. The abundance or deficiency of these meals as well as halides results in abnormal metabolic functions. Due to excessive demand for trace analysis in water and other materials a variety of techniques and instrumentation has been developed. Determination of heavy metals ions is of the highest interest in environmental analysis. Among the food materials water is most important because of their large consumption by man. Also toxic metals in water may be in dissolved ionic form, which directly go into human metabolism and start their toxic action. Presence of even small amounts of toxic metals in drinking water can produce serious health hazards. (author)

  1. 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

  2. On halide derivatives of rare-earth metal(III) oxidomolybdates(VI) and -tungstates(VI)

    International Nuclear Information System (INIS)

    Schleid, Thomas; Hartenbach, Ingo

    2016-01-01

    Halide derivatives of rare-earth metal(III) oxidomolybdates(VI) have been investigated comprehensively over the last decade comprising the halogens fluorine, chlorine, and bromine. Iodide-containing compounds are so far unknown. The simple composition REXMoO 4 (RE=rare-earth element, X=halogen) is realized for X=F almost throughout the complete lanthanide series as well as for yttrium. While ytterbium and lutetium do not form any fluoride derivative, for lanthanum, only a fluoride-deprived compound with the formula La 3 FMo 4 O 16 is realized. Moreover, molybdenum-rich compounds with the formula REXMo 2 O 7 are also known for yttrium and the smaller lanthanoids. For X=Cl the composition REClMoO 4 is known for yttrium and the whole lanthanide series, although, four different structure types were identified. Almost the same holds for X=Br, however, only two different structure types are realized in this class of compounds. In the case of halide derivatives of rare-earth metal(III) oxidotungstates(VI) the composition REXWO 4 is found for chlorides and bromides only, so far. Due to the similar size of Mo 6+ and W 6+ cations, the structures found for the tungstates are basically the same as for the molybdates. With the larger lanthanides, the representatives for both chloride and bromide derivates exhibit similar structural motifs as seen in the molybdates, however, the crystal structure cannot be determined reliably. In case of the smaller lanthanoids, the chloride derivatives are isostructural with the respective molybdates, although the existence ranges differ slightly. The same is true for rare-earth metal(III) bromide oxidotungstates(VI).

  3. Crystallization peculiarities in metallic glasses

    International Nuclear Information System (INIS)

    Serebryakov, A.V.; Abrosimova, G.E.; Aronin, A.S.

    1985-01-01

    Methods of X-ray electron microscopy and X-ray diffraction analysis were used to investigate the peculiarities of crystallization of amorphous metallic Fe-B and Fe-Si-B alloys related to sufficient change of volume when passing from amorphous to crystalline state and the effect of sample prehistory on its thermal stability and crystallization kinetics. The dependence of morphology of crystalline phases formed during crystallization of amorphous Fe-B alloys on sample thickness was revealed and investigated. The model explaining this dependence was suggested. The observed differences are related, according to the model, with different diffusion ways of ''poles'' - elementary carriers of empty volume to their sinks

  4. NMR longitudinal relaxation enhancement in metal halides by heteronuclear polarization exchange during magic-angle spinning

    Energy Technology Data Exchange (ETDEWEB)

    Shmyreva, Anna A. [Center for Magnetic Resonance, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Safdari, Majid; Furó, István [Department of Chemistry, KTH Royal Institute of Technology, SE-10044 Stockholm (Sweden); Dvinskikh, Sergey V., E-mail: sergeid@kth.se [Department of Chemistry, KTH Royal Institute of Technology, SE-10044 Stockholm (Sweden); Laboratory of Biomolecular NMR, St. Petersburg State University, St. Petersburg 199034 (Russian Federation)

    2016-06-14

    Orders of magnitude decrease of {sup 207}Pb and {sup 199}Hg NMR longitudinal relaxation times T{sub 1} upon magic-angle-spinning (MAS) are observed and systematically investigated in solid lead and mercury halides MeX{sub 2} (Me = Pb, Hg and X = Cl, Br, I). In lead(II) halides, the most dramatic decrease of T{sub 1} relative to that in a static sample is in PbI{sub 2}, while it is smaller but still significant in PbBr{sub 2}, and not detectable in PbCl{sub 2}. The effect is magnetic-field dependent but independent of the spinning speed in the range 200–15 000 Hz. The observed relaxation enhancement is explained by laboratory-frame heteronuclear polarization exchange due to crossing between energy levels of spin-1/2 metal nuclei and adjacent quadrupolar-spin halogen nuclei. The enhancement effect is also present in lead-containing organometal halide perovskites. Our results demonstrate that in affected samples, it is the relaxation data recorded under non-spinning conditions that characterize the local properties at the metal sites. A practical advantage of fast relaxation at slow MAS is that spectral shapes with orientational chemical shift anisotropy information well retained can be acquired within a shorter experimental time.

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

    Science.gov (United States)

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

    2015-05-06

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

  6. Antimicrobial properties of metal and metal-halide nanoparticles and their potential applications

    Science.gov (United States)

    Torrey, Jason Robert

    Heavy metals, including silver and copper, have been known to possess antimicrobial properties against bacterial, fungal, and viral pathogens. Metal nanoparticles (aggregations of metal atoms 1-200 nm in size) have recently become the subject of intensive study for their increased antimicrobial properties. In the current studies, metal and metal-halide nanoparticles were evaluated for their antibacterial efficacy. Silver (Ag), silver bromide (AgBr), silver iodide (AgI), and copper iodide (CuI) nanoparticles significantly reduced bacterial numbers of the Gram-negative Pseudomonas aeruginosa and the Gram-positive Staphylococcus aureus within 24 hours and were more effective against P. aeruginosa. CuI nanoparticles were found to be highly effective, reducing both organisms by >4.43 log 10 within 15 minutes at 60 ppm Cu. CuI nanoparticles formulated with different stabilizers (sodium dodecyl sulfate, SDS; polyvinyl pyrrolidone, PVP) were further tested against representative Gram-positive and Gram-negative bacteria, Mycobacteria, a fungus (Candida albicans ), and a non-enveloped virus (poliovirus). Both nanoparticles caused significant reductions in most of the Gram-negative bacteria within five minutes (>5.09-log10). The Gram-positive bacterial species and C. albicans were more sensitive to the CuI-SDS than the CuI-PVP nanoparticles. In contrast, the acid-fast Mycobacterium smegmatis was more resistant to CuI-SDS than CuI-PVP nanoparticles. Poliovirus was more resistant than the other organisms tested except for Mycobacterium fortuitum, which displayed the greatest resistance to CuI nanoparticles. As an example of a real world antimicrobial application, polymer coatings embedded with various concentrations of CuI nanoparticles were tested for antibacterial efficacy against P. aeruginosa and S. aureus. Polyester-epoxy powder coatings were found to display superior uniformity, stability and antimicrobial properties against both organisms (>4.92 log 10 after six hours at

  7. Synthesis of Halide- and Solvent free metal borohydrides

    DEFF Research Database (Denmark)

    Grinderslev, Jakob; Møller, Kasper Trans; Jensen, Torben René

    chloride or LiBH4 is present in the sample. The synthesis pathway has been shown to work for most of the already known metal borohydrides, M = Na, Ca, Sr, Ba, Y, La, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb, but also new borohydrides are formed, M = Pr, Nd and Lu. Besides new compounds, new polymorphs...

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

    Science.gov (United States)

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

    2018-02-01

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

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

    Science.gov (United States)

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

    2017-04-25

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

  10. The Metal-Halide Lamp Under Varying Gravity Conditions Measured by Emission and Laser Absorption Spectroscopy

    Science.gov (United States)

    Flikweert, A. J.; Nimalasuriya, T.; Kroesen, G. M. W.; Haverlag, M.; Stoffels, W. W.

    2009-11-01

    Diffusive and convective processes in the metal-halide lamp cause an unwanted axial colour segregation. Convection is induced by gravity. To understand the flow phenomena in the arc discharge lamp it has been investigated under normal laboratory conditions, micro-gravity (ISS and parabolic flights) and hyper-gravity (parabolic flights 2 g, centrifuge 1 g-10 g). The measurement techniques are webcam imaging, and emission and laser absorption spectroscopy. This paper aims to give an overview of the effect of different artificial gravity conditions on the lamp and compares the results from the three measurement techniques.

  11. Non-destructive measurement of Xe filling pressure in mercury-free metal halide lamp

    International Nuclear Information System (INIS)

    Motomura, Hideki; Enoki, Kyosuke; Jinno, Masafumi

    2010-01-01

    Mercury-free metal halide lamps (MHLs) for automotive purposes have been developing in the market. When mercury is not used, the electric and emission characteristics of the lamp strongly depend on the xenon filling pressure. Therefore a non-destructive gas pressure estimation technique is required to obtain stable performance of the lamps as commercial products. The authors have developed an estimation method by which the gas pressure is estimated from the current peak value at the initial stage of ignition under pulsed operation. It is shown that accuracy of the order of ±(0.1-0.3) atm is obtained using an empirical formula.

  12. Quasicharacteristic radiation of relativistic electrons at orientation motion in lithium halides crystals along charged planes and axes

    Science.gov (United States)

    Maksyuta, N. V.; Vysotskii, V. I.; Efimenko, S. V.

    2016-07-01

    The paper deals with the investigation of the orientation motion of relativistic electrons in charged (111) planes and charged [110] axes of lithium halides ionic crystals of LiF, LiCl, LiBr and LiI. On the basis of these investigations the spectra of quasicharacteristic radiation for the electron beams with various Lorentz-factors both in planar and axial cases have been calculated numerically.

  13. Surface and zeta-potentials of silver halide single crystals: pH-dependence in comparison to particle systems

    International Nuclear Information System (INIS)

    Selmani, Atiða; Kallay, Nikola; Preočanin, Tajana; Lützenkirchen, Johannes

    2014-01-01

    We have carried out surface and zeta-potential measurements on AgCl and AgBr single crystals. As for particle systems we find that, surprisingly and previously unnoted, the zeta-potential exhibits pH-dependence, while the surface potential does not. A possible interpretation of these observations is the involvement of water ions in the interfacial equilibria and in particular, stronger affinity of the hydroxide ion compared to the proton. The pH-dependence of the zeta-potential can be suppressed at sufficiently high silver concentrations, which agrees with previous measurements in particle systems where no pH-dependence was found at high halide ion concentrations. The results suggest a subtle interplay between the surface potential determining the halide and silver ion concentrations, and the water ions. Whenever the charge due to the halide and silver ions is sufficiently high, the influence of the proton/hydroxide ion on the zeta-potential vanishes. This might be related to the water structuring at the relevant interfaces which should be strongly affected by the surface potential. Another interesting observation is accentuation of the assumed water ion effect on the zeta-potential at the flat single crystal surfaces compared to the corresponding silver halide colloids. Previous generic MD simulations have indeed predicted that hydroxide ion adsorption is accentuated on flat/rigid surfaces. A thermodynamic model for AgI single crystals was developed to describe the combined effects of iodide, silver and water ions, based on two independently previously published models for AgI (that only consider constituent and background electrolyte ions) and inert surfaces (that only consider water and background electrolyte ions). The combined model correctly predicts all the experimentally observed trends. (paper)

  14. Comparative study of energy-efficiency and conservation systems for ceramic metal-halide discharge lamps

    International Nuclear Information System (INIS)

    Hermoso Orzáez, Manuel Jesús; Andrés Díaz, José Ramón de

    2013-01-01

    Interest in energy savings in urban lighting is gaining traction and has become a priority for municipal administrations. LED (light-emitting diode) technology appears to be the clear future lighting choice. However, this technology is still rapidly developing and has not been sufficiently tested. As an intermediate step, alternative proposals for energy-saving equipment for traditional discharge lamps are desirable so that the current technologies can coexist with the new LED counterparts for the short and medium term. This article provides a comparative study between two efficiency and energy-saving systems for discharge lamps with metal-halide and ceramic technologies, i.e., a lighting flow dimmer-stabilizer and a double-level electronic ballast. - Highlights: ► It has been demonstrated the possibility of regulating ceramic metal-halide lamps with lighting flow dimmer-stabilizer. ► Electronic ballasts can save approximately double quantity of energy than lighting flow dimmer-stabilizers. ► The use of lighting flow dimmer-stabilizer is more profitable than electronic ballasts due to costs and reliability

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

    Science.gov (United States)

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

    2018-05-09

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

  16. Metal-Mediated Halogen Exchange in Aryl and Vinyl Halides: a Review

    Science.gov (United States)

    Evano, Gwilherm; Nitelet, Antoine; Thilmany, Pierre; Dewez, Damien F.

    2018-04-01

    Halogenated arenes and alkenes are of prime importance in many areas of science, especially in the pharmaceutical, agrochemical and chemical industries. While the simplest ones are commercially available, some of them are still hardly accessible depending on their substitution patterns and the nature of the halogen atom. Reactions enabling the selective and efficient replacement of the halogen atom of an aryl or alkenyl halide by another one, lighter or heavier, are therefore of major importance since they can be used for example to turn a less reactive aryl/alkenyl chloride into the more reactive iodinated derivatives or, in a reversed sense, to block an undesired reactivity, for late-stage modifications or for the introduction of a radionuclide. If some halogen exchange reactions are possible with activated substrates, they usually require catalysis with metal complexes. Remarkably efficient processes have been developed for metal-mediated halogen exchange in aryl and vinyl halides: they are overviewed, in a comprehensive manner, in this review article.

  17. Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Webster, R., E-mail: ross.webster07@imperial.ac.uk; Harrison, N. M. [Thomas Young Centre, Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Bernasconi, L. [Rutherford Appleton Laboratory, STFC, Harwell Oxford, Didcot OX11 0QX (United Kingdom)

    2015-06-07

    We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.

  18. 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

  19. Competition between convection and diffusion in a metal halide lamp, investigated by numerical simulations and imaging laser absorption spectroscopy

    NARCIS (Netherlands)

    Beks, M.L.; Flikweert, A.J.; Nimalasuriya, T.; Stoffels, W.W.; Mullen, van der J.J.A.M.

    2008-01-01

    The effect of the competition between convection and diffusion on the distribution of metal halide additives in a high pressure mercury lamp has been examined by placing COST reference lamps with mercury fillings of 5 and 10 mg in a centrifuge. By subjecting them to different accelerational

  20. Optical emission spectroscopy of metal-halide lamps: Radially resolved atomic state distribution functions of Dy and Hg

    NARCIS (Netherlands)

    Nimalasuriya, T.; Flikweert, A.J.; Stoffels, W.W.; Haverlag, M.; Mullen, van der J.J.A.M.; Pupat, N.B.M.

    2006-01-01

    Absolute line intensity measurements are performed on a metal-halide lamp. Several transitions of atomic and ionic Dy and atomic Hg are measured at different radial positions from which we obtain absolute atomic and ionic Dy intensity profiles. From these profiles we construct the radially resolved

  1. 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).

  2. Analisa Teknis Pemakaian Kombinasi Lampu Metal Halide Dan Led Sebagai Pemikat Ikan Pada Kapal Pukat Cincin (Purse Seine Dan Pengaruhnya Terhadap Konsumsi Bahan Bakar Genset

    Directory of Open Access Journals (Sweden)

    Septian Ragil Wibisono

    2017-01-01

    Full Text Available Saat ini lampu Metal Halide dipakai sebagai pemikat ikan  oleh nelayan Purse Seine. Peggunaan lampu tersebut memerlukan daya Genset yang besar karena satu lampu Metal Halide berdaya 1500 Watt. Semakin banyak lampu Metal Halide yang digunakan semakin besar pula konsumsi bahan bakar Genset. Dalam upaya penghematan energi bahan bakar maka digunakan lampu LED sebagai alternatif pemikat ikan. Lampu LED dikenal sebagai lampu yang hemat energi. Penelitian ini ditujukan untuk mengetahui dan membandingkan konsumsi bahan bakar Genset saat menggunakan kombinasi lampu Metal Halide dan LED. Penelitian ini dilakukan dengan mengambil data konsumsi bahan bakar Genset untuk menyalakan sejumlah lampu Metal Halide dan lampu LED, kemudian dilakukan analisa regresi untuk mendapatkan model persaamaan konsumsi bahan bakar Genset. Selanjutnya dilakukan ekstrapolasi untuk memprediksi konsumsi bahan bakar saat Genset dengan jumlah lampu tertentu. Hasilnya dengan besar fluks cahaya yang hampir sama, saat penggunaan 6 lampu Metal Halide konsumsi bahan bakar sebesar 13.606,03 liter, dan saat menggunakan kombinasi lampu 1 Metal Halide dan 25 lampu LED konsumsi bahan bakar sebesar 13.255,63 liter, yang artinya terjadi penghematan bahan bakar sebesar 2,58%.

  3. 40 CFR Table 3 to Subpart Ffff of... - Emission Limits for Hydrogen Halide and Halogen HAP Emissions or HAP Metals Emissions From...

    Science.gov (United States)

    2010-07-01

    ... Halogen HAP Emissions or HAP Metals Emissions From Process Vents 3 Table 3 to Subpart FFFF of Part 63... to Subpart FFFF of Part 63—Emission Limits for Hydrogen Halide and Halogen HAP Emissions or HAP... following table that applies to your process vents that contain hydrogen halide and halogen HAP emissions or...

  4. Infrared losses from a Na/Sc metal-halide high intensity discharge arc lamp

    International Nuclear Information System (INIS)

    Smith, D J; Bonvallet, G A; Lawler, J E

    2003-01-01

    A study of the near-infrared (IR) emission from the arc of a metal-halide high intensity discharge (MH-HID) lamp with a sodium/scandium chemistry is reported. Radiometrically calibrated spectra from 0.7 to 2.5 μm were recorded as a function of position on the arc tube of a 250 W lamp. These spectra were analysed to determine the relative densities of Na and Sc atoms and the arc temperature as a function of radius. Information from these spectra, combined with absorption measurements in the companion paper (Bonvallet and Lawler 2003), were used to determine the absolute output power in the near-IR from the MH-HID lamp

  5. Double-ended metal halide arc discharge lamp with electrically isolated containment shroud

    Science.gov (United States)

    Muzeroll, Martin M. (Inventor)

    1994-01-01

    A double-ended arc discharge lamp includes a sealed, light-transmissive outer jacket, a light-transmissive shroud mounted within the outer jacket and directly supported by the outer jacket, and an arc discharge tube mounted within the shroud. The arc tube is typically a metal halide arc discharge tube. In a preferred embodiment, the shroud includes an outwardly flared portion at each end. The outwardly flared portions space the shroud from the outer jacket and support the shroud within the outer jacket. The outwardly flared portions of the shroud can be affixed to the outer jacket by fusing. The outer jacket can be provided with inwardly extending dimples for locating the shroud with respect to the outer jacket. In another embodiment, the outer jacket includes reduced diameter portions near each end which are attached to the shroud.

  6. Radiative properties of ceramic metal-halide high intensity discharge lamps containing additives in argon plasma

    Science.gov (United States)

    Cressault, Yann; Teulet, Philippe; Zissis, Georges

    2016-07-01

    The lighting represents a consumption of about 19% of the world electricity production. We are thus searching new effective and environment-friendlier light sources. The ceramic metal-halide high intensity lamps (C-MHL) are one of the options for illuminating very high area. The new C-MHL lamps contain additives species that reduce mercury inside and lead to a richer spectrum in specific spectral intervals, a better colour temperature or colour rendering index. This work is particularly focused on the power radiated by these lamps, estimated using the net emission coefficient, and depending on several additives (calcium, sodium, tungsten, dysprosium, and thallium or strontium iodides). The results show the strong influence of the additives on the power radiated despite of their small quantity in the mixtures and the increase of visible radiation portion in presence of dysprosium.

  7. Why does the lumen maintenance of sodium-scandium metal halide lamps improve by VHF operation?

    International Nuclear Information System (INIS)

    Van Erk, W; Luijks, G M J F; Hitchcock, W

    2011-01-01

    Lifetime experiments show that sodium-scandium metal halide lamps perform better on very high frequency (VHF) drivers than on low frequency (LF) constant wattage autotransformer (CWA) ballasts. The question why, will be addressed with focus on arc tube aspects. It is argued that at high frequency operation sodium loss is less, and that the absence of thermal fluctuations in the electrode tip causes less damage and cracking to this part of the electrode. Sudden lm W -1 drops, observed with CWA-operated lamps, most probably occur when the arc attaches on such a corroded and cracked surface. Thorium is effective as an emitter both in the CWA and the VHF operation mode, despite the absence of cataphoretic transport to the cathode in the VHF case.

  8. Why does the lumen maintenance of sodium-scandium metal halide lamps improve by VHF operation?

    Energy Technology Data Exchange (ETDEWEB)

    Van Erk, W [Philips Lighting, Sondervick 47, 5505 NB Veldhoven (Netherlands); Luijks, G M J F [Advanced Development Lighting, Philips Lighting, PO Box 80020, 5600 JM Eindhoven (Netherlands); Hitchcock, W, E-mail: Gerard.luijks@philips.com [Philips Lighting Company, 7265 Route 54, Bath, NY 14810 (United States)

    2011-06-08

    Lifetime experiments show that sodium-scandium metal halide lamps perform better on very high frequency (VHF) drivers than on low frequency (LF) constant wattage autotransformer (CWA) ballasts. The question why, will be addressed with focus on arc tube aspects. It is argued that at high frequency operation sodium loss is less, and that the absence of thermal fluctuations in the electrode tip causes less damage and cracking to this part of the electrode. Sudden lm W{sup -1} drops, observed with CWA-operated lamps, most probably occur when the arc attaches on such a corroded and cracked surface. Thorium is effective as an emitter both in the CWA and the VHF operation mode, despite the absence of cataphoretic transport to the cathode in the VHF case.

  9. Degradation of Highly Alloyed Metal Halide Perovskite Precursor Inks: Mechanism and Storage Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Dou, Benjia [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Wheeler, Lance M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Christians, Jeffrey A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moore, David [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Harvey, Steven P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berry, Joseph J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Van Hest, Marinus F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Barnes, Frank S. [University of Colorado; Shaheen, Sean E. [University of Colorado

    2018-03-02

    Whereas the promise of metal halide perovskite (MHP) photovoltaics (PV) is that they can combine high efficiency with solution-processability, the chemistry occurring in precursor inks is largely unexplored. Herein, we investigate the degradation of MHP solutions based on the most widely used solvents, dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). For the MHP inks studied, which contain formamidinium (FA+), methylammonium (MA+), cesium (Cs+), lead (Pb2+), bromide (Br-), and iodide (I-), dramatic compositional changes are observed following storage of the inks in nitrogen in the dark. We show that hydrolysis of DMF in the precursor solution forms dimethylammonium formate, which subsequently incorporates into the MHP film to compromise the ability of Cs+ and MA+ to stabilize FA+-based MHP. The changes in solution chemistry lead to a modification of the perovskite film stoichiometry, band gap, and structure. The solid precursor salts are stable when ball-milled into a powder, allowing for the storage of large quantities of stoichiometric precursor materials.

  10. Highly Efficient Light-Emitting Diodes of Colloidal Metal-Halide Perovskite Nanocrystals beyond Quantum Size.

    Science.gov (United States)

    Kim, Young-Hoon; Wolf, Christoph; Kim, Young-Tae; Cho, Himchan; Kwon, Woosung; Do, Sungan; Sadhanala, Aditya; Park, Chan Gyung; Rhee, Shi-Woo; Im, Sang Hyuk; Friend, Richard H; Lee, Tae-Woo

    2017-07-25

    Colloidal metal-halide perovskite quantum dots (QDs) with a dimension less than the exciton Bohr diameter D B (quantum size regime) emerged as promising light emitters due to their spectrally narrow light, facile color tuning, and high photoluminescence quantum efficiency (PLQE). However, their size-sensitive emission wavelength and color purity and low electroluminescence efficiency are still challenging aspects. Here, we demonstrate highly efficient light-emitting diodes (LEDs) based on the colloidal perovskite nanocrystals (NCs) in a dimension > D B (regime beyond quantum size) by using a multifunctional buffer hole injection layer (Buf-HIL). The perovskite NCs with a dimension greater than D B show a size-irrespective high color purity and PLQE by managing the recombination of excitons occurring at surface traps and inside the NCs. The Buf-HIL composed of poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT:PSS) and perfluorinated ionomer induces uniform perovskite particle films with complete film coverage and prevents exciton quenching at the PEDOT:PSS/perovskite particle film interface. With these strategies, we achieved a very high PLQE (∼60.5%) in compact perovskite particle films without any complex post-treatments and multilayers and a high current efficiency of 15.5 cd/A in the LEDs of colloidal perovskite NCs, even in a simplified structure, which is the highest efficiency to date in green LEDs that use colloidal organic-inorganic metal-halide perovskite nanoparticles including perovskite QDs and NCs. These results can help to guide development of various light-emitting optoelectronic applications based on perovskite NCs.

  11. Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals.

    Science.gov (United States)

    Luo, Yanqi; Khoram, Parisa; Brittman, Sarah; Zhu, Zhuoying; Lai, Barry; Ong, Shyue Ping; Garnett, Erik C; Fenning, David P

    2017-11-01

    Optoelectronic devices based on hybrid perovskites have demonstrated outstanding performance within a few years of intense study. However, commercialization of these devices requires barriers to their development to be overcome, such as their chemical instability under operating conditions. To investigate this instability and its consequences, the electric field applied to single crystals of methylammonium lead bromide (CH 3 NH 3 PbBr 3 ) is varied, and changes are mapped in both their elemental composition and photoluminescence. Synchrotron-based nanoprobe X-ray fluorescence (nano-XRF) with 250 nm resolution reveals quasi-reversible field-assisted halide migration, with corresponding changes in photoluminescence. It is observed that higher local bromide concentration is correlated to superior optoelectronic performance in CH 3 NH 3 PbBr 3 . A lower limit on the electromigration rate is calculated from these experiments and the motion is interpreted as vacancy-mediated migration based on nudged elastic band density functional theory (DFT) simulations. The XRF mapping data provide direct evidence of field-assisted ionic migration in a model hybrid-perovskite thin single crystal, while the link with photoluminescence proves that the halide stoichiometry plays a key role in the optoelectronic properties of the perovskite. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Low-Dimensional-Networked Metal Halide Perovskites: The Next Big Thing

    KAUST Repository

    Saidaminov, Makhsud I.

    2017-03-03

    Low-dimensional-networked (low-DN) perovskite derivatives are bulk quantum materials in which charge carriers are localized within ordered metal halide sheets, rods, or clusters that are separated by cationic lattices. After two decades of hibernation, this class of semiconductors reemerged in the past two years, largely catalyzed by the interest in alternative, more stable absorbers to CH3NH3PbI3-type perovskites in photovoltaics. Whether low-DN perovskites will surpass other photovoltaic technologies remains to be seen, but their impressively high photo- and electroluminescence yields have already set new benchmarks in light emission applications. Here we offer our perspective on the most exciting advances in materials design of low-DN perovskites for energy- and optoelectronic-related applications. The next few years will usher in an explosive growth in this tribe of quantum materials, as only a few members have been synthesized, while the potential library of compositions and structures is believed to be much larger and is yet to be discovered.

  13. AB INITIO molecular orbital studies of some high temperature metal halide complexes

    International Nuclear Information System (INIS)

    Curtiss, L.A.

    1978-01-01

    The use of ab initio molecular orbital calculations to aid in the characterization, i.e., structures and energies, of metal halide complexes present in high temperature salt vapors has been investigated. Standard LCAO-SCF methods were used and calculations were carried out using the minimal STO-3G basis set. The complexes included in this study were Al 2 F 6 , Al 2 Cl 6 , AlF 3 NH 3 , AlCl 3 NH 3 , and AlF 3 N 2 . The Al 2 X 6 complexes are found to have D/sub 2h/ symmetry in agreement with most experimental results. A planar form was found to be considerably higher in energy. The AlX 3 NH 3 complexes are found to have C/sub 3v/ symmetry with a small barrier to rotation about the Al-N axis. The AlF 3 N 2 complex is found to be weakly bound together with a binding energy of -8.2 kcal/mole at the STO-3G level

  14. A survey of infrared continuum versus line radiation from metal halide lamps

    International Nuclear Information System (INIS)

    Kato, M; Herd, M T; Lawler, J E

    2008-01-01

    Near-infrared radiation (near-IR) losses from the arcs of six commercial metal halide high intensity discharge (MH-HID) lamps with various power levels and with both Na/Sc and rare earth doses were surveyed in this paper. A radiometrically calibrated Fourier transform infrared spectrometer was used. Lamps with rare earth doses have appreciably better color rendering indices (CRIs) than lamps with Na/Sc doses. The ratios of near-IR continuum emission over near-IR line emission from these six lamps were compared. The near-IR continuum dominates near-IR losses from lamps with rare earth doses and the continuum is significant, but not dominant, from lamps with Na/Sc doses. There was no strong dependence of this ratio on input power or color temperature (T c ). Total near-IR losses were estimated using absolutely calibrated, horizontal irradiance measurements. Estimated total near-IR losses were correlated with CRI. The lamps with rare earth doses yield the best CRIs, but have appreciably higher near-IR losses due primarily to continuum processes. One of these rare earth MH-HID lamps was used in a more detailed study of the microscopic physics of the continuum mechanism (Herd M T and Lawler E 2007 J. Phys. D: Appl. Phys. 40 3386)

  15. Improving the Stability of Metal Halide Perovskite Materials and Light-Emitting Diodes.

    Science.gov (United States)

    Cho, Himchan; Kim, Young-Hoon; Wolf, Christoph; Lee, Hyeon-Dong; Lee, Tae-Woo

    2018-01-25

    Metal halide perovskites (MHPs) have numerous advantages as light emitters such as high photoluminescence quantum efficiency with a direct bandgap, very narrow emission linewidth, high charge-carrier mobility, low energetic disorder, solution processability, simple color tuning, and low material cost. Based on these advantages, MHPs have recently shown unprecedented radical progress (maximum current efficiency from 0.3 to 42.9 cd A -1 ) in the field of light-emitting diodes. However, perovskite light-emitting diodes (PeLEDs) suffer from intrinsic instability of MHP materials and instability arising from the operation of the PeLEDs. Recently, many researchers have devoted efforts to overcome these instabilities. Here, the origins of the instability in PeLEDs are reviewed by categorizing it into two types: instability of (i) the MHP materials and (ii) the constituent layers and interfaces in PeLED devices. Then, the strategies to improve the stability of MHP materials and PeLEDs are critically reviewed, such as A-site cation engineering, Ruddlesden-Popper phase, suppression of ion migration with additives and blocking layers, fabrication of uniform bulk polycrystalline MHP layers, and fabrication of stable MHP nanoparticles. Based on this review of recent advances, future research directions and an outlook of PeLEDs for display applications are suggested. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer

    Science.gov (United States)

    Huang, Chengxi; Du, Yongping; Wu, Haiping; Xiang, Hongjun; Deng, Kaiming; Kan, Erjun

    2018-04-01

    The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multistate data storage. Although multiferroics have been broadly studied for decades, ferromagnetic ferroelectricity is rarely explored, especially in two-dimensional (2D) systems. Here we report the discovery of 2D ferromagnetic ferroelectricity in layered transition-metal halide systems. On the basis of first-principles calculations, we reveal that a charged CrBr3 monolayer exhibits in-plane multiferroicity, which is ensured by the combination of orbital and charge ordering as realized by the asymmetric Jahn-Teller distortions of octahedral Cr - Br6 units. As an example, we further show that (CrBr3)2Li is a ferromagnetic ferroelectric multiferroic. The explored phenomena and mechanism of multiferroics in this 2D system not only are useful for fundamental research in multiferroics but also enable a wide range of applications in nanodevices.

  17. Broadband enhancement of photoluminance from colloidal metal halide perovskite nanocrystals on plasmonic nanostructured surfaces.

    Science.gov (United States)

    Zhang, Si; Liang, Yuzhang; Jing, Qiang; Lu, Zhenda; Lu, Yanqing; Xu, Ting

    2017-11-07

    Metal halide perovskite nanocrystals (NCs) as a new kind of promising optoelectronic material have attracted wide attention due to their high photoluminescence (PL) quantum yield, narrow emission linewidth and wideband color tunability. Since the PL intensity always has a direct influence on the performance of optoelectronic devices, it is of vital importance to improve the perovskite NCs' fluorescence emission efficiency. Here, we synthesize three inorganic perovskite NCs and experimentally demonstrate a broadband fluorescence enhancement of perovskite NCs by exploiting plasmonic nanostructured surface consisting of nanogrooves array. The strong near-field optical localization associated with surface plasmon polariton-coupled emission effect generated by the nanogrooves array can significantly boost the absorption of perovskite NCs and tailor the fluorescence emissions. As a result, the PL intensities of perovskite NCs are broadband enhanced with a maximum factor higher than 8-fold achieved in experimental demonstration. Moreover, the high efficiency PL of perovskite NCs embedded in the polymer matrix layer on the top of plasmonic nanostructured surface can be maintained for more than three weeks. These results imply that plasmonic nanostructured surface is a good candidate to stably broadband enhance the PL intensity of perovskite NCs and further promote their potentials in the application of visible-light-emitting devices.

  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. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.

    Science.gov (United States)

    Jaffe, Adam; Lin, Yu; Beavers, Christine M; Voss, Johannes; Mao, Wendy L; Karunadasa, Hemamala I

    2016-04-27

    We report the first high-pressure single-crystal structures of hybrid perovskites. The crystalline semiconductors (MA)PbX3 (MA = CH3NH3 (+), X = Br(-) or I(-)) afford us the rare opportunity of understanding how compression modulates their structures and thereby their optoelectronic properties. Using atomic coordinates obtained from high-pressure single-crystal X-ray diffraction we track the perovskites' precise structural evolution upon compression. These structural changes correlate well with pressure-dependent single-crystal photoluminescence (PL) spectra and high-pressure bandgaps derived from density functional theory. We further observe dramatic piezochromism where the solids become lighter in color and then transition to opaque black with compression. Indeed, electronic conductivity measurements of (MA)PbI3 obtained within a diamond-anvil cell show that the material's resistivity decreases by 3 orders of magnitude between 0 and 51 GPa. The activation energy for conduction at 51 GPa is only 13.2(3) meV, suggesting that the perovskite is approaching a metallic state. Furthermore, the pressure response of mixed-halide perovskites shows new luminescent states that emerge at elevated pressures. We recently reported that the perovskites (MA)Pb(Br x I1-x )3 (0.2 < x < 1) reversibly form light-induced trap states, which pin their PL to a low energy. This may explain the low voltages obtained from solar cells employing these absorbers. Our high-pressure PL data indicate that compression can mitigate this PL redshift and may afford higher steady-state voltages from these absorbers. These studies show that pressure can significantly alter the transport and thermodynamic properties of these technologically important semiconductors.

  20. A model for additive transport in metal halide lamps containing mercury and dysprosium tri-iodide

    International Nuclear Information System (INIS)

    Beks, M L; Haverlag, M; Mullen, J J A M van der

    2008-01-01

    The distribution of additives in a metal halide lamp is examined through numerical modelling. A model for a lamp containing sodium iodide additives has been modified to study a discharge containing dysprosium tri-iodide salts. To study the complex chemistry the method of Gibbs minimization is used to decide which species have to be taken into account and to fill lookup tables with the chemical composition at different combinations of elemental abundance, lamp pressure and temperature. The results from the model with dysprosium additives were compared with earlier results from the lamp containing sodium additives and a simulation of a pure mercury lamp. It was found that radial segregation creates the conditions required for axial segregation. Radial segregation occurs due to the unequal diffusion of atoms and molecules. Under the right conditions convection currents in the lamp can cause axial demixing. These conditions depend on the ratio of axial convection and radial diffusion as expressed by the Peclet number. At a Peclet number of unity axial segregation is most pronounced. At low Peclet numbers radial segregation is at its worst, while axial segregation is not present. At large Peclet numbers the discharge becomes homogeneously mixed. The degree of axial segregation at a Peclet number of unity depends on the temperature at which the additive under consideration fully dissociates. If the molecules dissociate very close to the walls no molecules are transported by the convective currents in the lamp, and hence axial segregation is limited. If they dissociate further away from the walls in the area where the downward convective currents are strongest, more axial segregation is observed

  1. Investigation of the connection between plasma temperature and electrode temperature in metal-halide lamps

    International Nuclear Information System (INIS)

    Fromm, D.C.; Gleixner, K.H.; Lieder, G.H.

    2002-01-01

    Spatial profiles of electrode temperatures and plasma temperatures have been measured on 'real' HID lamps filled with a commercial metal-halide compound. The absolute accuracy of pyrometric determination of electrode tip temperatures was ±30 K, while the determination of plasma core temperatures, using a modified Bartels method, has an accuracy of ±100 K. We could deduce a close correlation between the plasma temperature in front of an electrode T p and its tip temperature T t due to the influence of the cataphoresis. If T p is reduced at the cathode the T t value has also lowered, whereas T p at the anode is raised together with its T t data. This correlation disappears at ballast frequencies above 100 Hz, whereas the cataphoresis influence on T p continues up to 500 Hz. Based on the latter limit, a rough estimation of the cataphoresis velocity delivers 700 cm s -1 . As a tentative interpretation, we suggest that the connection between T p and T t is caused by an increase of the ion part of the total current at the cathode due to Na accumulation before it. Thus, the cathode has to emit fewer electrons and works at a lower temperature. Further results are the temporal behaviour of T t depends on the ballast type. For vertical operation the strong influence of convection on T t has also to be taken into account. Above 100 Hz, where only convection plays a role, the upper electrode T t exceeds the T t value of the lower electrode by nearly 400 K. This discrepancy one may explain, tentatively, by convection heating of the upper electrode and convection cooling of the lower one. (author)

  2. 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

  3. 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.

  4. 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.

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

    Science.gov (United States)

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

    2017-07-06

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

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

    Science.gov (United States)

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

    2018-05-02

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

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

    Science.gov (United States)

    Fisher, Dallas A.

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

  8. X-ray induced fluorescence measurement of segregation in a DyI{sub 3}-Hg metal-halide lamp

    Energy Technology Data Exchange (ETDEWEB)

    Nimalasuriya, T [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Curry, J J [National Institute of Standards and Technology, 100 Bureau Drive, Stop 8422, Gaithersburg, MD 20899-8422 (United States); Sansonetti, C J [National Institute of Standards and Technology, 100 Bureau Drive, Stop 8422, Gaithersburg, MD 20899-8422 (United States); Ridderhof, E J [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Shastri, S D [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Flikweert, A J [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Stoffels, W W [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Haverlag, M [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Mullen, J J A M van der [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands)

    2007-05-07

    Segregation of elemental Dy in a DyI{sub 3}-Hg metal-halide high-intensity discharge lamp has been observed with x-ray induced fluorescence. Significant radial and axial Dy segregation are seen, with the axial segregation characterized by a Fischer parameter value of {lambda} = 0.215 {+-} 0.002 mm{sup -1}. This is within 7% of the value ({lambda} = 0.20 {+-} 0.01 mm{sup -1}) obtained by Flikweert et al (2005 J. Appl. Phys. 98 073301) based on laser absorption by neutral Dy atoms. Elemental I is seen to exhibit considerably less axial and radial segregation. Some aspects of the observed radial segregation are compatible with a simplified fluid picture describing two main transition regions in the radial coordinate. The first transition occurs in the region where DyI{sub 3} molecules are in equilibrium with neutral Dy atoms. The second transition occurs where neutral Dy atoms are in equilibrium with ionized Dy. These measurements are part of a larger study on segregation in metal-halide lamps under a variety of conditions.

  9. 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.

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

    KAUST Repository

    Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Maculan, Giacomo; Bakr, Osman

    2015-01-01

    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.

  11. Origin of vertical orientation in two-dimensional metal halide perovskites and its effect on photovoltaic performance.

    Science.gov (United States)

    Chen, Alexander Z; Shiu, Michelle; Ma, Jennifer H; Alpert, Matthew R; Zhang, Depei; Foley, Benjamin J; Smilgies, Detlef-M; Lee, Seung-Hun; Choi, Joshua J

    2018-04-06

    Thin films based on two-dimensional metal halide perovskites have achieved exceptional performance and stability in numerous optoelectronic device applications. Simple solution processing of the 2D perovskite provides opportunities for manufacturing devices at drastically lower cost compared to current commercial technologies. A key to high device performance is to align the 2D perovskite layers, during the solution processing, vertical to the electrodes to achieve efficient charge transport. However, it is yet to be understood how the counter-intuitive vertical orientations of 2D perovskite layers on substrates can be obtained. Here we report a formation mechanism of such vertically orientated 2D perovskite in which the nucleation and growth arise from the liquid-air interface. As a consequence, choice of substrates can be liberal from polymers to metal oxides depending on targeted application. We also demonstrate control over the degree of preferential orientation of the 2D perovskite layers and its drastic impact on device performance.

  12. 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.

  13. Thermal gradient migration of brine inclusions in synthetic alkali halide single crystals

    International Nuclear Information System (INIS)

    Olander, D.R.; Machiels, A.J.; Balooch, M.; Yagnik, S.K.

    1982-01-01

    An apparatus consisting of an optical microscope with a hot stage attachment capable of simultaneously nonuniformly heating and mechanically loading small single crystals of salt was used to measure the velocities of all-liquid inclusions NaC1 and KC1 specimens under various conditions of temperature, temperature gradient, and uniaxial stress. The rate-controlling elementary step in the migration of the inclusions was found to be associated with interfacial processes, probably dissolution of the hot face. Dislocations are required for this step to take place. The small number of dislocation intersections with small inclusions in nearly perfect crystals causes substantial variations in the velocity, a sensitivity of the velocity to mechanical loading of the crystal, and a velocity which varies approximately as the second power of the temperature gradient

  14. 3D dysprosium density in the metal-halide lamp measured by emission and laser absorption spectroscopy in a centrifuge at 1-10g

    NARCIS (Netherlands)

    Flikweert, A.J.; Nimalasuriya, T.; Thubé, G.M.; Kroesen, G.M.W.; Stoffels, W.W.

    2007-01-01

    The metal-halide lamp is a High Intensity Discharge (HID) lamp with a high efficiency. The salt additive (DyI3) acts as prime radiator. The present lamp suffers from non-uniform light output, caused by diffusion and convection processes. To gain a better understanding of the lamp, the convection is

  15. X-ray absorption tomography of a high-pressure metal-halide lamp with a bent arc due to Lorentz-forces

    NARCIS (Netherlands)

    Denisova, N.; Haverlag, M.; Ridderhof, E.J.; Nimalasuriya, T.; Mullen, van der J.J.A.M.

    2007-01-01

    The arc temperature is one of the most important characteristics which cotrol the emission properties of plasma light sources. X-ray absorption technique has received some attention as a powerful method to determine the temperature in high-pressure metal-halide lamps. An important advantage of x-ray

  16. The Study of Reducing Krypton-85 Activity in Metal Halide Lamp%降低金卤灯内氪-85活度的研究

    Institute of Scientific and Technical Information of China (English)

    叶碧君

    2012-01-01

    通过测试及分析不同氪-85活度填充气体的同规格金卤灯的各项性能参数,研究了在确保金卤灯各项性能的前提下,降低金卤灯中氪-85活度的可行性及金卤灯中氪-85存在的必要性,可以为今后确定金卤灯中需添加的最低氪-85活度提供参考。%By analyzing the parameters of metal halide lamps which are filled with gas with different activity of krypton-85, the paper studies the feasibility of reducing krypton-85 activity in metal halide lamp while ensuring the lamp performance, and proves the necessity of its existence of krypton-85 in metal halide lamp. it can provide us a reference to determine the minimum krypton-85 activity to he added in metal halide lamps.

  17. THE STUDY OF CLINOPTILOLITE MODIFIED WITH3d METALS HALIDES BY IR AND DIFFUSE REFLECTANCE SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    T. L. Rakitskaya

    2015-11-01

    Full Text Available The results of investigation of natural clinoptilolite (N-CLI and that modified with 3d metal halides (MeCl2/N-CLI, where Me are Cu, Co, and Mn by IR and diffuse reflectance spectroscopy are summarized. A band at 3437 cm-1 assigned to stretching vibrations of hydroxyl groups (nOH is found in the IR spectrum of the N-CLI sample. A location of the band was practically the same as for all above MeCl2/N-CLI samples. A band of middle intensity at 1638 cm-1 in the range of deformation vibrations of zeolite water observed in the IR spectrum of N-CLI slightly displays to lower frequencies in the case of the modified samples. An intensive wide band of a complex shape in the range from 1250 to 980 cm-1 assigned to Si–O–Si and Si–O–Al vibrations appears in IR spectra of all samples. A doublet band of middle intensity at 797 and 778 cm-1 is assigned to external symmetric stretching T-O vibrations and a band at 606 cm-1-to vibrations of a double ring. A location of the above bands is the same for all listed samples but their intensity is higher for MnCl2/N-CLI and CoCl2/N-CLI samples. After the reaction with ozone, significant changes in the IR spectra are observed only for MnCl2/N-CLI. They are due to MnO2 formation on the clinoptilolite surface resulting in a high frequency displacement of some bands. Based on UV-vi spectroscopy results, it is reasonable to make conclusions about the coordination and valence state of a central atom in the MeCl2/N-CLI samples under study. A location of charge transfer bands for these samples only slightly differs from that for N-CLI however the intensity of such bands increases for the MeCl2/N-CLI samples. The UV-vis spectrum of MnCl2/N-CLI changes after the reaction with ozone: the appearance of new bands of  charge transfer at 363 and 354 nm and also the two-fold increase in intensity of a charge transfer band at 272 nm in comparison with those of N-CLI and MnCl2/N-CLI are the evidence of change in both the

  18. Temperature dependence of radiation colloidal centers production and annealing in alkali halide crystals

    International Nuclear Information System (INIS)

    Kristapson, J.Z.; Ozerskii, V.J.

    1981-01-01

    The investigation results on temperature dependences of production and annealing of radiation colloidal color centers have been reviewed. In order to produce such centers in NaCl, KCl and KBr crystals the doses of 10 2 -10 4 Mrad as well as irradiation temperatures of 300-600 K and post-irradiation heating of up to 800 K were applied. It has been demonstrated that to produce X-centers, it is necessary to have optimal temperature and initial critical dose during both irradiation and post-irradiation heating of crystals. It has been also found that during annealing hole centers produced are different with regard to thermal stability. The possible recombination mechanisms of hole and electron products of radiolysis during post-irradiation heating has been analyzed [ru

  19. 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.

  20. Revealing the ultrafast charge carrier dynamics in organo metal halide perovskite solar cell materials using time resolved THz spectroscopy

    Science.gov (United States)

    Ponseca, C. S., Jr.; Sundström, V.

    2016-03-01

    Ultrafast charge carrier dynamics in organo metal halide perovskite has been probed using time resolved terahertz (THz) spectroscopy (TRTS). Current literature on its early time characteristics is unanimous: sub-ps charge carrier generation, highly mobile charges and very slow recombination rationalizing the exceptionally high power conversion efficiency for a solution processed solar cell material. Electron injection from MAPbI3 to nanoparticles (NP) of TiO2 is found to be sub-ps while Al2O3 NPs do not alter charge dynamics. Charge transfer to organic electrodes, Spiro-OMeTAD and PCBM, is sub-ps and few hundreds of ps respectively, which is influenced by the alignment of energy bands. It is surmised that minimizing defects/trap states is key in optimizing charge carrier extraction from these materials.

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

    DEFF Research Database (Denmark)

    Tang, Yingying; Cao, Xianyi; Chi, Qijin

    2018-01-01

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

  2. Heavy metal ternary halides for room-temperature x-ray and gamma-ray detection

    Science.gov (United States)

    Liu, Zhifu; Peters, John A.; Stoumpos, Constantinos C.; Sebastian, Maria; Wessels, Bruce W.; Im, Jino; Freeman, Arthur J.; Kanatzidis, Mercouri G.

    2013-09-01

    We report our recent progress on wide bandgap ternary halide compounds CsPbBr3 and CsPbCl3 for room temperature x-ray and gamma-ray detectors. Their bandgaps are measured to be 2.24 eV and 2.86 eV, respectively. The measured mobility-lifetime products of CsPbBr3 are 1.7×10-3, 1.3×10-3 cm2/V, for electron and hole carriers, respectively, comparable to those of CdTe. We measured the room temperature spectral response of CsPbBr3 sample to Ag x-ray radiation. It has a well-resolved spectral response to the 22.4 keV Kα radiation peak and detector efficiency comparable to that of CdZnTe detector at 295 K.

  3. Time evolution of absorption process in nonlinear metallic photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mahi R.; Hatef, Ali [Department of Physics and Astronomy, University of Western Ontario, London (Canada)

    2009-05-15

    The time evolution of the absorption coefficient in metallic photonic crystals has been studied numerically. These crystals are made from metallic spheres which are arranged periodically in air. The refractive index of the metallic spheres depends on the plasma frequency. Probe and pump fields are applied to monitor the absorption process. Ensembles of three-level particles are embedded in the crystal. Nanoparticles are interacting with the metallic crystals via the electron-photon interaction. It is found that when the resonance states lie away from the band edges system goes to transparent state. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Pressure-Induced Metallization of the Halide Perovskite (CH 3 NH 3 )PbI 3

    Energy Technology Data Exchange (ETDEWEB)

    Jaffe, Adam; Lin, Yu [Photon; Mao, Wendy L. [Photon; Karunadasa, Hemamala I.

    2017-03-10

    We report the metallization of the hybrid perovskite semiconductor (MA)PbI3 (MA = CH3NH3+) with no apparent structural transition. We tracked its bandgap evolution during compression in diamond-anvil cells using absorption spectroscopy and observed strong absorption over both visible and IR wavelengths at pressures above ca. 56 GPa, suggesting the imminent closure of its optical bandgap. The metallic character of (MA)PbI3 above 60 GPa was confirmed using both IR reflectivity and variable-temperature dc conductivity measurements. The impressive semiconductor properties of halide perovskites have recently been exploited in a multitude of optoelectronic applications. Meanwhile, the study of metallic properties in oxide perovskites has revealed diverse electronic phenomena. Importantly, the mild synthetic routes to halide perovskites and the templating effects of the organic cations allow for fine structural control of the inorganic lattice. Pressure-induced closure of the 1.6 eV bandgap in (MA)PbI3 demonstrates the promise of the continued study of halide perovskites under a range of thermodynamic conditions, toward realizing wholly new electronic properties.

  5. Nonreciprocity of spin waves in metallized magnonic crystal

    International Nuclear Information System (INIS)

    Mruczkiewicz, M; Krawczyk, M; Gubbiotti, G; Tacchi, S; Filimonov, Yu A; Kalyabin, D V; Lisenkov, I V; Nikitov, S A

    2013-01-01

    The nonreciprocal properties of spin waves in metallized one-dimensional bi-component magnonic crystal composed of two materials with different magnetizations are investigated numerically. Nonreciprocity leads to the appearance of indirect magnonic band gaps for magnonic crystals with both low and high magnetization contrast. Specific features of the nonreciprocity in low contrast magnonic crystals lead to the appearance of several magnonic band gaps located within the first Brillouin zone for waves propagating along the metallized surface. Analysis of the spatial distribution of dynamic magnetization amplitudes explains the mechanism of dispersion band formation and hybridization between magnonic bands in magnonic crystals with metallization. (paper)

  6. Impact of various lighting source (incandescent, fluorescent, metal halide and high pressure sodium) on the production performance of chicken broilers

    International Nuclear Information System (INIS)

    Guffar, A.; Rahman, K.U.; Siddique, M.; Ahmad, F.

    2009-01-01

    Light is an important aspect of an animal's environment. Avian as well as mammalian species respond to light energy in a variety of ways. Recent research has indicated that light source may affect body weight, immune response, livability and health status. Broiler behavior is strongly affected by light sources. So the present project was designed to study the effect of light sources on the production performance of broilers. For this purpose, 500 day-old broilers purchased from the local market were reared for three days (adaptation period) in one group. Then these were randomly divided into five experimental groups each comprising of 100 birds. Group A was given 25 incandescent light (INC), Group B was given fluorescent light (FC), Group C was given metal halide light (MH), Group D was given high pressure sodium light (HPS) and Group E was given no light source (control). Performance trial in terms of measurement of weekly body weight, weekly feed consumption, feed conversion ratio (FCR), daily water consumption and mortality were checked. Among various lighting sources, MH proved the best light source regarding main parameters of production performance. (author)

  7. Metal Halide Perovskite Supercrystals: Gold-Bromide Complex Triggered Assembly of CsPbBr3 Nanocubes.

    Science.gov (United States)

    Wang, Kun-Hua; Yang, Jun-Nan; Ni, Qian-Kun; Yao, Hong-Bin; Yu, Shu-Hong

    2018-01-16

    Using nanocrystals as "artificial atoms" to construct supercrystals is an interesting process to explore the stacking style of nanoscale building blocks and corresponding collective properties. Various types of semiconducting supercrystals have been constructed via the assembly of nanocrystals driven by the entropic, electrostatic, or van der Waals interactions. We report a new type of metal halide perovskite supercrystals via the gold-bromide complex triggered assembly of newly emerged attractive CsPbBr 3 nanocubes. Through introducing gold-bromide (Au-Br) complexes into CsPbBr 3 nanocubes suspension, the self-assembly process of CsPbBr 3 nanocubes to form supercrystals was investigated with the different amount of Au-Br complexes added to the suspensions, which indicates that the driven force of the formation of CsPbBr 3 supercrystals included the van der Waals interactions among carbon chains and electrostatic interactions between Au-Br complexes and surfactants. Accordingly, the optical properties change with the assembly of CsPbBr 3 nanocubes and the variation of mesoscale structures of supercrystals with heating treatment was revealed as well, demonstrating the ionic characteristics of CsPbBr 3 nanocrystals. The fabricated CsPbBr 3 supercrystal presents a novel type of semiconducting supercrystals that will open an avenue for the assembly of ionic nanocrystals.

  8. Reaction of urea thiourea and their derivatives with tertiary phosphine transition metal halides

    International Nuclear Information System (INIS)

    Adam, Eltayeb Mahala

    2000-03-01

    This thesis describes preparation characterization and some properties of a number of new compounds such as (ph 3 p)2 ML where M= cobalt (11), nickel (11), and copper (11), and L= urea, thiourea, phenylthiourea, sym diphenylurea and sym diphenylthiourea.These compounds have been prepared according according to the reaction of dichloro bis (triphenylphosphine) transition metal with urea, thiourea or some of their derivative ligands in 1:1 molar ratio.The work in this thesis is divided into three section firstly:- In the introduction chapter part one includes general definitions of coordination chemistry and related compounds and abroad definition of transition elements.Part two includes the theoretical back ground about transition metal complexes having urea, thiourea or some of their substituted derivative ligands.Part two also discusses the type of bonding between these ligands and the transition metal atom.Secondly: Chapter two describes the general techniques followed in this work such as purification of solvents recrystallization, preparation of starting materials and also gives full detailed procedures of the preparation of a number of new compounds.Thirdly: Discussion with detailed in chapter three, the results of the research are presented the preparation and characterization of a number of new compounds isolated from reaction between urea, thiourea or some of their substituted derivatives and dichloro bis (triphenyl phosphine) transition metal complex giving a general formula (ph 3 )2ML where M=cobalt, nickel, and copper, and urea, thiourea or some of their substituted derivatives ligands. The products of these experiments have been identified using infrared spectra, melting points and molar conductance. The results obtained indicated that all the compounds forming the nitrogen to metal bonds leading to the formation of a four- membered chelate ring, they are relatively thermally stable compounds, and also these compounds are non-electrolytes.(Author)

  9. Early stage crystallization kinetics in metallic glass-forming alloys

    International Nuclear Information System (INIS)

    Louzguine-Luzgin, Dmitri V.

    2014-01-01

    Highlights: • Heterogeneous nucleation may precede the homogeneous one in an alloy. • High kinetic constants and the nucleation rate at the initial stage. • Metallic glasses have heterogeneous nucleation sites which saturate later. -- Abstract: The crystallization kinetics and structural changes of a few metallic glassy alloys were monitored using X-ray diffraction, transmission electron microscopy, differential scanning and isothermal calorimetry methods. Microstructural observations were used to estimate the nucleation and growth rates. A clear comparison of the differences in the crystallization kinetics in the metallic glassy samples is observed at the early and later crystallization stages

  10. Absorption in one-dimensional metallic-dielectric photonic crystals

    International Nuclear Information System (INIS)

    Yu Junfei; Shen Yifeng; Liu Xiaohan; Fu Rongtang; Zi Jian; Zhu Zhiqiang

    2004-01-01

    We show theoretically that the absorption of one-dimensional metallic-dielectric photonic crystals can be enhanced considerably over the corresponding constituent metal. By properly choosing the structural and material parameters, the absorption of one-dimensional metallic-dielectric photonic crystals can be enhanced by one order of magnitude in the visible and in the near infrared regions. It is found that the absorptance of such photonic crystals increases with increasing number of periods. Rules on how to obtain a absorption enhancement in a certain frequency range are discussed. (letter to the editor)

  11. Crystal structure of actinide metals at high compression

    International Nuclear Information System (INIS)

    Fast, L.; Soederlind, P.

    1995-08-01

    The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure

  12. Fabrication and properties of gallium metallic photonic crystals

    International Nuclear Information System (INIS)

    Kozhevnikov, V.F.; Diwekar, M.; Kamaev, V.P.; Shi, J.; Vardeny, Z.V.

    2003-01-01

    Gallium metallic photonic crystals with 100% filling factor have been fabricated via infiltration of liquid gallium into opals of 300-nm silica spheres using a novel high pressure-high temperature technique. The electrical resistance of the Ga-opal crystals was measured at temperatures from 10 to 280 K. The data obtained show that Ga-opal crystals are metallic network with slightly smaller temperature coefficient of resistivity than that for bulk gallium. Optical reflectivity of bulk gallium, plain opal and several Ga-opal crystals were measured at photon energies from 0.3 to 6 eV. A pronounced photonic stop band in the visible spectral range was found in both the plain and Ga infiltrated opals. The reflectivity spectra also show increase in reflectivity below 0.6 eV; which we interpret as a significantly lower effective plasma frequency of the metallic mesh in the infiltrated opal compare to the plasma frequency in the pure metal

  13. A study of the convective flow as a function of external parameters in a high-pressure metal halide discharge lamp (HgDyI3)

    Science.gov (United States)

    Hajji, S.; HadjSalah, S.; Benhalima, A.; Charrada, K.; Zissis, G.

    2016-06-01

    This paper deals with the modelling of the convection processes in metal-halide lamp discharges (HgDyI3). For this, we realized a 3D model, a steady, direct current powered and time-depending model for the solution of conservation equations relative to mass, momentum, and energy. After validation, this model was applied to the study of the effect of some parameters that have appeared on major transport phenomena of mass and energy in studying the lamp. Indeed, the electric current, the atomic ratio (Hg/Dy), and the effect of the convective transport have been studied.

  14. Stable biexcitons in two-dimensional metal-halide perovskites with strong dynamic lattice disorder

    Science.gov (United States)

    Thouin, Félix; Neutzner, Stefanie; Cortecchia, Daniele; Dragomir, Vlad Alexandru; Soci, Cesare; Salim, Teddy; Lam, Yeng Ming; Leonelli, Richard; Petrozza, Annamaria; Kandada, Ajay Ram Srimath; Silva, Carlos

    2018-03-01

    With strongly bound and stable excitons at room temperature, single-layer, two-dimensional organic-inorganic hybrid perovskites are viable semiconductors for light-emitting quantum optoelectronics applications. In such a technological context, it is imperative to comprehensively explore all the factors—chemical, electronic, and structural—that govern strong multiexciton correlations. Here, by means of two-dimensional coherent spectroscopy, we examine excitonic many-body effects in pure, single-layer (PEA) 2PbI4 (PEA = phenylethylammonium). We determine the binding energy of biexcitons—correlated two-electron, two-hole quasiparticles—to be 44 ±5 meV at room temperature. The extraordinarily high values are similar to those reported in other strongly excitonic two-dimensional materials such as transition-metal dichalcogenides. Importantly, we show that this binding energy increases by ˜25 % upon cooling to 5 K. Our work highlights the importance of multiexciton correlations in this class of technologically promising, solution-processable materials, in spite of the strong effects of lattice fluctuations and dynamic disorder.

  15. 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

  16. Metallic dielectric photonic crystals and methods of fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Jeffrey Brian; Kim, Sang-Gook

    2016-12-20

    A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.

  17. Metallic dielectric photonic crystals and methods of fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Jeffrey Brian; Kim, Sang-Gook

    2017-12-05

    A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.

  18. Variable Charge and Electrical Double Layer of Mineral-Water Interfaces: Silver Halides versus Metal (Hydr)Oxides

    NARCIS (Netherlands)

    Hiemstra, T.

    2012-01-01

    Classically, silver (Ag) halides have been used to understand thermodynamic principles of the charging process and the corresponding development of the electrical double layer (EDL). A mechanistic approach to the processes on the molecular level has not yet been carried out using advanced surface

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

    Science.gov (United States)

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

    2015-02-28

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

  20. The optical transmission characteristics in metallic photonic crystals

    International Nuclear Information System (INIS)

    Aly, Arafa H.; Elsayed, Hussein A.; Hamdy, Hany S.

    2010-01-01

    We theoretically studied electromagnetic wave propagation in a one-dimensional metal/dielectric photonic crystal (1D MDPC) consisting of alternating metallic and dielectric materials by using the transfer matrix method in visible and infrared regions. We have investigated the photonic band gap by using four kinds of metals: silver, lithium, gold and copper. We discuss the details of the calculated results in terms of the thickness of the metallic layer and different kinds of metals, and the plasma frequency. Our results have a potential for applications in optical devices because it is easy and cheap to manufacture.

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

    Science.gov (United States)

    Mitzi, D B

    2000-12-25

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

  2. Correlations between entropy and volume of melting in halide salts

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1991-09-01

    Melting parameters and transport coefficients in the melt are collated for halides of monovalent, divalent and trivalent metals. A number of systems show a deficit of entropy of melting relative to the linear relationships between entropy change and relative volume change on melting that are found to be approximately obeyed by a majority of halides. These behaviours are discussed on the basis of structural and transport data. The deviating systems are classified into three main classes, namely (i) fast-ion conductors in the high-temperature crystal phase such as AgI, (ii) strongly structured network-like systems such as ZnCl 2 , and (iii) molecular systems melting into associated molecular liquids such as SbCl 3 . (author). 35 refs, 1 fig., 3 tabs

  3. A unified picture of the crystal structures of metals

    Science.gov (United States)

    Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

    1995-04-01

    THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

  4. A unified picture of the crystal structures of metals

    International Nuclear Information System (INIS)

    Soederlind, P.; Eriksson, O.; Johansson, B.; Wills, J.M.; Boring, A.M.

    1995-01-01

    The crystal structures of the light actinides have intrigued physicists and chemists for several decades. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry -tetragonal, orthorhombic and monoclinic. To understand these differences, we have have performed total-energy calculations, as a function of volume, for both high- and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression. (author)

  5. Solvothermal crystallization of nanocrystals of metal oxides

    International Nuclear Information System (INIS)

    Furukawa, S; Amino, H; Iwamoto, S; Inoue, M

    2008-01-01

    Solvothermal crystallization of the hydroxide gels obtained by hydrolysis of alkoxides (Zr, Ta, Nb, ln, Sn, Ti and Al) was examined. Nanocrystals having high surface areas (S BET > 170 m 2 g -1 ) were obtained except for the product derived from indium isopropoxide. The effect of water in organic solvent upon the crystallinity of the product was investigated. The increase in the activity of water by using high concentration of alkoxide or intentional addition of water to the solvothermal medium led to crystal growth of the products. In contrast, decrease in activity of water by adding ethylene glycol before solvothermal treatment caused a decrease in crystallinity of the product

  6. Solvothermal crystallization of nanocrystals of metal oxides

    Science.gov (United States)

    Furukawa, S.; Amino, H.; Iwamoto, S.; Inoue, M.

    2008-07-01

    Solvothermal crystallization of the hydroxide gels obtained by hydrolysis of alkoxides (Zr, Ta, Nb, ln, Sn, Ti and Al) was examined. Nanocrystals having high surface areas (SBET > 170 m2 g-1) were obtained except for the product derived from indium isopropoxide. The effect of water in organic solvent upon the crystallinity of the product was investigated. The increase in the activity of water by using high concentration of alkoxide or intentional addition of water to the solvothermal medium led to crystal growth of the products. In contrast, decrease in activity of water by adding ethylene glycol before solvothermal treatment caused a decrease in crystallinity of the product.

  7. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-01

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

  9. Crystal field in rare-earth metals and intermetallic compounds

    International Nuclear Information System (INIS)

    Ray, D.K.

    1978-01-01

    Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

  10. Welding and joining of single crystals of BCC refractory metals

    International Nuclear Information System (INIS)

    Hiraoka, Yutaka; Fujii, Tadayuki

    1989-01-01

    Welding and joining is one of key technologies for the wider utilizations of a material. In the present work, the applicability of welding and joining for a single crystal of BCC refractory metal was investigated. Electron-beam welding and tungsten-inert-gas welding by a melt-run technique, and high-temperature brazing by using brazing metals such as Mo-40%Ru alloy, vanadium or platinum were conducted for molybdenum single crystal which had been prepared by means of secondary recrystallization. 12 refs.,12 figs., 2 tabs. (Author)

  11. Photonic Paint Developed with Metallic Three-Dimensional Photonic Crystals

    Science.gov (United States)

    Sun, Po; Williams, John D.

    2012-01-01

    This work details the design and simulation of an inconspicuous photonic paint that can be applied onto an object for anticounterfeit and tag, track, and locate (TTL) applications. The paint consists of three-dimensional metallic tilted woodpile photonic crystals embedded into a visible and infrared transparent polymer film, which can be applied to almost any surface. The tilted woodpile photonic crystals are designed with a specific pass band detectable at nearly all incident angles of light. When painted onto a surface, these crystals provide a unique reflective infra-red optical signature that can be easily observed and recorded to verify the location or contents of a package.

  12. 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.

  13. 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.

  14. 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.

  15. Modification of Thermal Emission via Metallic Photonic Crystals

    International Nuclear Information System (INIS)

    Norris, David J.; Stein, Andreas; George, Steven M.

    2012-01-01

    Photonic crystals are materials that are periodically structured on an optical length scale. It was previously demonstrated that the glow, or thermal emission, of tungsten photonic crystals that have a specific structure - known as the 'woodpile structure' - could be modified to reduce the amount of infrared radiation from the material. This ability has implications for improving the efficiency of thermal emission sources and for thermophotovoltaic devices. The study of this effect had been limited because the fabrication of metallic woodpile structures had previously required a complex fabrication process. In this project we pursued several approaches to simplify the fabrication of metallic photonic crystals that are useful for modification of thermal emission. First, we used the self-assembly of micrometer-scale spheres into colloidal crystals known as synthetic opals. These opals can then be infiltrated with a metal and the spheres removed to obtain a structure, known as an inverse opal, in which a three-dimensional array of bubbles is embedded in a film. Second, we used direct laser writing, in which the focus of an infrared laser is moved through a thin film of photoresist to form lines by multiphoton polymerization. Proper layering of such lines can lead to a scaffold with the woodpile structure, which can be coated with a refractory metal. Third, we explored a completely new approach to modified thermal emission - thin metal foils that contain a simple periodic surface pattern, as shown in Fig. 1. When such a foil is heated, surface plasmons are excited that propagate along the metal interface. If these waves strike the pattern, they can be converted into thermal emission with specific properties.

  16. Studying The Effect of Various Parameters on The Characteristics of The Dielectric and Metallic Photonic Crystals

    International Nuclear Information System (INIS)

    Ismail, M.; Badawy, Z.M.; Abdel-Rahman, E.

    2015-01-01

    Transmittance characteristics of two types of photonic crystals have been analysed using the transfer matrix method. The first one is the dielectric photonic crystal (DPC), and the second is the metallic photonic crystal (MPC). The effect of the most parameters on the transmission spectra of the dielectric and metallic photonic crystals has been studied

  17. Reactivity of halide and pseudohalide ligands

    International Nuclear Information System (INIS)

    Kukushkin, Yu.N.

    1987-01-01

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

  18. A study on new types of metallic photonic crystals

    International Nuclear Information System (INIS)

    Ahmed, M.I.

    2013-01-01

    In this thesis, I tried to synthesize a one dimension dielectric photonic crystal. I have succeeded in depositing single layers of zinc oxide and magnesium oxide on glass substrates. Each single layer was characterized by a scanning electron microscope, X-ray diffraction, A Mirue interferometer, and a spectrophotometer. The refractive indices, extinction coefficients, and absorption coefficients of each single layer were calculated from the measured transmittance, reflectance, and thickness data. Using the calculated parameters (refractive indices) and measured parameters (thicknesses) the transmission spectrum of the one dimension photonic crystal composed of zinc oxide and magnesium oxide was modelled. Using the transfer matrix method, a comparative study of the one dimension-dielectric and metallic photonic crystals was done. Effect of the refractive index difference, filling factor, number of periods, Plasmon frequency, damping coefficient, and incidence angle on the transmittance of the dielectric and metallic photonic crystal was carried out. A multilayered structure composed of Silver and Gallium Nitride was designed to transmit in the visible region, block UV frequencies, and reflect the IR and microwave frequencies. Using a combination of MaxwellGarnett Approximation and the transfer matrix method; the properties of a nanocomposite photonic crystal consisting of Cryolite and spherical nanoparticles of silver distributed in a dielectric matrix of titanium dioxide was studied. Effect of the nanoparticle concentration, lattice constant and incidence angle on the polaritonic and structure photonic band gap were studied.

  19. Metal induced crystallization of silicon germanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gjukic, M.

    2007-05-15

    In the framework of this thesis the applicability of the aluminium-induced layer exchange on binary silicon germanium alloys was studied. It is here for the first time shown that polycrstalline silicon-germanium layers can be fabricated over the whole composition range by the aluminium-induced layer exchange. The experimental results prove thet the resulting material exhibits a polycrystalline character with typocal grain sizes of 10-100 {mu}m. Raman measurements confirm that the structural properties of the resulting layers are because of the large crystallites more comparable with monocrystalline than with nano- or microcrystalline silicon-germanium. The alloy ratio of the polycrystalline layer correspondes to the chemical composition of the amorphous starting layer. The polycrystalline silicon-germanium layers possess in the range of the interband transitions a reflection spectrum, as it is otherwise only known from monocrystalline reference layers. The improvement of the absorption in the photovoltaically relevant spectral range aimed by the application of silicon-germanium could be also proved by absorption measurments. Strongly correlated with the structural properties of the polycrystalline layers and the electronic band structure resulting from this are beside the optical properties also the electrical properties of the material, especially the charge-carrier mobility and the doping concentration. For binary silicon-germanium layers the hole concentration of about 2 x 10{sup 18} cm{sup -3} for pure silicon increrases to about 5 x 10{sup 20} cm{sub -3} for pure germanium. Temperature-resolved measurements were applied in order to detect doping levels respectively semiconductor-metal transitions. In the last part of the thesis the hydrogen passivation of polycrystalline thin silicon-germanium layers, which were fabricated by means of aluminium-induced layer exchange, is treated.

  20. 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%.

  1. Crystallization of some amorphous metallic alloys studied by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Sitek, J.; Miglierini, M.; Lipka, J.; Valko, P.; Toth, I.

    1990-01-01

    The present work provides an analysis of crystallization processes in amorphous metallic alloys Fe 80 Si 4 Cr 1.8 B 14 and Fe 67 Co 18 B 14 Si 1 . Crystallization of the first sample started at the temperature of 648 K. The fully crystalline state was observed after annealing at 748 K. We identified four sextets. One corresponds to crystalline Fe 2 B and the three others to FeSi solid solution with 10 at.% of Si. Crystallization of Fe 67 Co 18 B 14 Si 1 started at the temperature of 623 K. We identified two crystalline phases. The first may have its origin as (Fe 1-x Co x ) 3 B, the second one may correspond to a Fe-Co solid solution with a different Co content. (orig.)

  2. The gas phase emitter effect of lanthanum within ceramic metal halide lamps and its dependence on the La vapor pressure and operating frequency

    Energy Technology Data Exchange (ETDEWEB)

    Ruhrmann, C.; Hoebing, T.; Bergner, A.; Groeger, S.; Awakowicz, P.; Mentel, J. [Electrical Engineering and Plasma Technology, Ruhr University Bochum, D-44780 Bochum (Germany); Denissen, C.; Suijker, J. [Philips Lighting, Category Professional Lamps, P.O. Box 80020, NL-5600JM Eindhoven (Netherlands)

    2015-08-07

    The gas phase emitter effect increases the lamp lifetime by lowering the work function and, with it, the temperature of the tungsten electrodes of metal halide lamps especially for lamps in ceramic vessels due to their high rare earth pressures. It is generated by a monolayer on the electrode surface of electropositive atoms of certain emitter elements, which are inserted into the lamp bulb by metal iodide salts. They are vaporized, dissociated, ionized, and deposited by an emitter ion current onto the electrode surface within the cathodic phase of lamp operation with a switched-dc or ac-current. The gas phase emitter effect of La and the influence of Na on the emitter effect of La are studied by spatially and phase-resolved pyrometric measurements of the electrode tip temperature, La atom, and ion densities by optical emission spectroscopy as well as optical broadband absorption spectroscopy and arc attachment images by short time photography. An addition of Na to the lamp filling increases the La vapor pressure within the lamp considerably, resulting in an improved gas phase emitter effect of La. Furthermore, the La vapor pressure is raised by a heating of the cold spot. In this way, conditions depending on the La vapor pressure and operating frequency are identified, at which the temperature of the electrodes becomes a minimum.

  3. Experimental observations on the competing effect of tetrahydrofuran and an electrolyte and the strength of hydrate inhibition among metal halides in mixed CO{sub 2} hydrate equilibria

    Energy Technology Data Exchange (ETDEWEB)

    Sabil, Khalik M., E-mail: khalik_msabil@petronas.com.m [Delft University of Technology, Laboratory of Process Equipment, Mechanical, Maritime and Materials Engineering, Leeghwaterstraat 44, 2628 CA Delft (Netherlands); Universiti Teknologi PETRONAS, Chemical Engineering Programme, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Roman, Vicente R.; Witkamp, Geert-Jan [Delft University of Technology, Laboratory of Process Equipment, Mechanical, Maritime and Materials Engineering, Leeghwaterstraat 44, 2628 CA Delft (Netherlands); Peters, Cor J., E-mail: C.J.Peters@tudelft.n [Delft University of Technology, Laboratory of Process Equipment, Mechanical, Maritime and Materials Engineering, Leeghwaterstraat 44, 2628 CA Delft (Netherlands); Petroleum Institute, Chemical Engineering Program, Bu Hasa Building, Room 2207A, P.O. Box 2533, Abu Dhabi (United Arab Emirates)

    2010-03-15

    In the present work, experimental data on the equilibrium conditions of mixed CO{sub 2} and THF hydrates in aqueous electrolyte solutions are reported. Seven different electrolytes (metal halides) were used in this work namely sodium chloride (NaCl), calcium chloride (CaCl{sub 2}), magnesium chloride (MgCl{sub 2}), potassium bromide (KBr), sodium fluoride (NaF), potassium chloride (KCl), and sodium bromide (NaBr). All equilibrium data were measured by using Cailletet apparatus. Throughout this work, the overall concentration of CO{sub 2} and THF were kept constant at (0.04 and 0.05) mol fraction, respectively, while the concentration of electrolytes were varied. The experimental temperature ranged from (275 to 305) K and pressure up 7.10 MPa had been applied. From the experimental results, it is concluded that THF, which is soluble in water is able to suppress the salt inhibiting effect in the range studied. In all quaternary systems studied, a four-phase hydrate equilibrium line was observed where hydrate (H), liquid water (L{sub W}), liquid organic (L{sub V}), and vapour (V) exist simultaneously at specific pressure and temperature. The formation of this four-phase equilibrium line is mainly due to a liquid-liquid phase split of (water + THF) mixture when pressurized with CO{sub 2} and the split is enhanced by the salting-out effect of the electrolytes in the quaternary system. The strength of hydrate inhibition effect among the electrolytes was compared. The results shows the hydrate inhibiting effect of the metal halides is increasing in the order NaF < KBr < NaCl < NaBr < CaCl{sub 2} < MgCl{sub 2}. Among the cations studied, the strength of hydrate inhibition increases in the following order: K{sup +} < Na{sup +} < Ca{sup 2+} < Mg{sup 2+}. Meanwhile, the strength of hydrate inhibition among the halogen anion studied decreases in the following order: Br{sup -} > Cl{sup -} > F{sup -}. Based on the results, it is suggested that the probability of formation and

  4. Experimental observations on the competing effect of tetrahydrofuran and an electrolyte and the strength of hydrate inhibition among metal halides in mixed CO2 hydrate equilibria

    International Nuclear Information System (INIS)

    Sabil, Khalik M.; Roman, Vicente R.; Witkamp, Geert-Jan; Peters, Cor J.

    2010-01-01

    In the present work, experimental data on the equilibrium conditions of mixed CO 2 and THF hydrates in aqueous electrolyte solutions are reported. Seven different electrolytes (metal halides) were used in this work namely sodium chloride (NaCl), calcium chloride (CaCl 2 ), magnesium chloride (MgCl 2 ), potassium bromide (KBr), sodium fluoride (NaF), potassium chloride (KCl), and sodium bromide (NaBr). All equilibrium data were measured by using Cailletet apparatus. Throughout this work, the overall concentration of CO 2 and THF were kept constant at (0.04 and 0.05) mol fraction, respectively, while the concentration of electrolytes were varied. The experimental temperature ranged from (275 to 305) K and pressure up 7.10 MPa had been applied. From the experimental results, it is concluded that THF, which is soluble in water is able to suppress the salt inhibiting effect in the range studied. In all quaternary systems studied, a four-phase hydrate equilibrium line was observed where hydrate (H), liquid water (L W ), liquid organic (L V ), and vapour (V) exist simultaneously at specific pressure and temperature. The formation of this four-phase equilibrium line is mainly due to a liquid-liquid phase split of (water + THF) mixture when pressurized with CO 2 and the split is enhanced by the salting-out effect of the electrolytes in the quaternary system. The strength of hydrate inhibition effect among the electrolytes was compared. The results shows the hydrate inhibiting effect of the metal halides is increasing in the order NaF 2 2 . Among the cations studied, the strength of hydrate inhibition increases in the following order: K + + 2+ 2+ . Meanwhile, the strength of hydrate inhibition among the halogen anion studied decreases in the following order: Br - > Cl - > F - . Based on the results, it is suggested that the probability of formation and the strength of ionic-hydrogen bond between an ion and water molecule and the effects of this bond on the ambient water

  5. 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.

  6. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

  7. Magnetic activity at infrared frequencies in structured metallic photonic crystals

    International Nuclear Information System (INIS)

    O'Brien, S.; Pendry, J.P.

    2002-01-01

    We derive the effective permeability and permittivity of a nanostructured metallic photonic crystal by analysing the complex reflection and transmission coefficients for slabs of various thicknesses. These quantities were calculated using the transfer matrix method. Our results indicate that these structures could be used to realize a negative effective permeability, at least up to infrared frequencies. The origin of the negative permeability is a resonance due to the internal inductance and capacitance of the structure. We also present an analytic model for the effective permeability of the crystal. The model reveals the importance of the inertial inductance due to the finite mass of the electrons in the metal. We find that this contribution to the inductance has implications for the design of metallic magnetic structures in the optical region of the spectrum. We show that the magnetic activity in the structure is accompanied by the concentration of the incident field energy into very small volumes within the structure. This property will allow us to considerably enhance non-linear effects with minute quantities of material. (author)

  8. Ordered macro-microporous metal-organic framework single crystals

    Science.gov (United States)

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  9. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui

    2018-01-16

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  10. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  11. 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.

  12. 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

  13. APPARATUS FOR THE PRODUCTION OF LITHIUM METAL

    Science.gov (United States)

    Baker, P.S.; Duncan, F.R.; Greene, H.B.

    1961-08-22

    Methods and apparatus for the production of high-purity lithium from lithium halides are described. The apparatus is provided for continuously contacting a molten lithium halide with molten barium, thereby forming lithium metal and a barium halide, establishing separate layers of these reaction products and unreacted barium and lithium halide, and continuously withdrawing lithium and barium halide from the reaction zone. (AEC)

  14. Glass transition, crystallization kinetics and pressure effect on crystallization of ZrNbCuNiBe bulk metallic glass

    DEFF Research Database (Denmark)

    Xing, P.F.; Zhuang, Yanxin; Wang, W.H.

    2002-01-01

    The glass transition behavior and crystallization kinetics of Zr48Nb8Cu14Ni12Be18 bulk metallic glass have been investigated by differential scanning calorimetry and x-ray powder diffraction (XRD). The activation energies of both glass transition and crystallization events have been obtained using...... the Kissinger method. Results indicate that this glass crystallizes by a three-stage reaction: (1) phase separation and primary crystallization of glass, (2) formation of intermetallic compounds, and (3) decomposition of intermetallic compounds and crystallization of residual amorphous phase. The pressure...

  15. 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

  16. 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.

  17. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  18. Muonium centers in the alkali halides

    International Nuclear Information System (INIS)

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

    1986-01-01

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

  19. Graphite crystals grown within electromagnetically levitated metallic droplets

    International Nuclear Information System (INIS)

    Amini, Shaahin; Kalaantari, Haamun; Mojgani, Sasan; Abbaschian, Reza

    2012-01-01

    Various graphite morphologies were observed to grow within the electromagnetically levitated nickel–carbon melts, including primary flakes and spheres, curved surface graphite and eutectic flakes, as well as engulfed and entrapped particles. As the supersaturated metallic solutions were cooled within the electromagnetic (EM) levitation coil, the primary graphite flakes and spheres formed and accumulated near the periphery of the droplet due to EM circulation. The primary graphite islands, moreover, nucleated and grew on the droplet surface which eventually formed a macroscopic curved graphite crystal covering the entire liquid. Upon further cooling, the liquid surrounding the primary graphite went under a coupled eutectic reaction while the liquid in the center formed a divorced eutectic due to EM mixing. This brought about the formation of graphite fine flakes and agglomerated particles close to the surface and in the center of the droplet, respectively. The graphite morphologies, growth mechanisms, defects, irregularities and growth instabilities were interpreted with detailed optical and scanning electron microscopies.

  20. Transport, Optical, and Magnetic Properties of the Conducting Halide Perovskite CH 3NH 3SnI 3

    Science.gov (United States)

    Mitzi, D. B.; Feild, C. A.; Schlesinger, Z.; Laibowitz, R. B.

    1995-01-01

    A low-temperature ( T ≤ 100°C) solution technique is described for the preparation of polycrystalline and single crystal samples of the conducting halide perovskite, CH 3NH 3SnI 3. Transport, Hall effect, magnetic, and optical properties are examined over the temperature range 1.8-300 K, confirming that this unusual conducting halide perovskite is a low carrier density p-type metal with a Hall hole density, 1/ RHe ≃ 2 × 10 19 cm -3. The resistivity of pressed pellet samples decreases with decreasing temperature with resistivity ratio ρ(300 K)/ρ(2 K) ≃ 3 and room temperature resistivity ρ(300 K) ≃ 7 mΩ-cm. A free-carrier infrared reflectivity spectrum with a plasma edge observed at approximately 1600 cm -1 further attests to the metallic nature of this compound and suggests a small optical effective mass, m* ≃ 0.2.

  1. Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chaonan; Feng, Pingjing; Li, Jintang, E-mail: leejt@xmu.edu.cn; Luo, Xuetao

    2017-05-15

    Two metal carboxyphosphonates, [Co{sub 2}(OOCC{sub 5}H{sub 3}NPO{sub 3}){sub 2·}(H{sub 2}O){sub 3}] (Compound1) and Zn{sub 3}[OOCC{sub 6}H{sub 3}CH(OH)PO{sub 3}]{sub 2·}2H{sub 2}O (Compound2) were successfully synthesized under the hydrothermal reactions. In compound 1, two (Co1-NO{sub 5}) octahedra link the (CPO{sub 3}) by sharing the corner, which link the two (Co2-O{sub 6}) octahedra. From a-axis the six clusters form the layer. Each layer is linked through hydrogen bond. In compound 2, the (Zn-O{sub 4}) tetrahedron and (CPO{sub 3}) tetrahedron are corner-shared, which arrange in line. From a-axis, each line forms the columnar. The thermal and luminescence properties of these compounds were investigated. - Graphical abstract: The synthesis conditions of the two compounds and the crystal morphology. Compound 1 shows the layer and the compound 2 shows the pillared-layer. - Highlights: • Two new carboxyphosphonate ligands have been prepared. • Using the two ligands, two metal carboxyphosphonates have been synthesized. • The two MOFs may be candidates for fluorescent materials.

  2. Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

    Science.gov (United States)

    Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

    2018-05-16

    In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

  3. Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration.

    Science.gov (United States)

    Keshri, Sonanki; Tembe, B L

    2017-11-22

    Constant temperature-constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride [M 2+ -Cl - (M = Mg, Ca, Sr, and Ba)] solutions over a wide range of concentrations (0.27-5.55 m) in supercritical (SC) and ambient conditions to investigate their structural and dynamical properties. A strong influence of the salt concentration is observed on the ion-ion pair correlation functions in both ambient and SC conditions. In SC conditions, significant clustering is observed in the 0.27 m solution, whereas the reverse situation is observed at room temperature and this is also supported by the residence times of the clusters. The concentration and ion size (cation size) seem to have opposite effects on the average number of hydrogen bonds. The simulation results show that the self-diffusion coefficients of water, cations, and the chloride ion increase with increasing temperature, whereas they decrease with increasing salt concentration. The cluster size distribution shows a strong density dependence in both ambient and SC conditions. In SC conditions, cluster sizes display a near-Gaussian distribution, whereas the distribution decays monotonically in ambient conditions.

  4. Preparation of high purity metallic protactinium. Crystal structure and dissolution enthalpy of the metal

    International Nuclear Information System (INIS)

    Bohet, J.

    1977-01-01

    Some 300 mg of Pa have been produced in a high purity metallic state. Protactinium monocarbide has been obtained by the carboreduction of Pa 2 O 5 . Protactinium iodide, produced by the direct reaction of iodine on the carbide, has been sublimated at 420 0 C and thermally dissociated at 1200 0 C on a W wire. In these conditions Pa metal has been deposited with a yield greater than 85% and presents a bct structure stable at room temperature (a=3.921+-0.001A and c=3.235+-0.001A). The fcc phase (Fm3m type) (a=5.018+-0.001A) has been obtained by quenching metallic samples (bct) heated in argon at 1500 0 C. The chemical analysis and the transformation of the fcc into bct phase by controlled heat treatments show the presence of this high temperature phase in the metal. Protactinium mononitride (5.58% N) produced by direct reaction of N on Pa at 1100 0 C presents the same fcc crystal structure but the lattice parameter is higher (a=5.047+-0.001A). The dissolution heat of metallic Pa (bct) has been determined in the aqueous solution HCl 12M - HF 0.05M at 298.15+-0.05 K. The standard formation enthalpies of the ionic species Pa(IV) and Pa(V) are respectively equal to -672+-15 kJ.mol -1 and -821+-15 kJ.mol -1

  5. Entropy in halide perovskites

    Science.gov (United States)

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

    2018-05-01

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

  6. Investigating the gas phase emitter effect of caesium and cerium in ceramic metal halide lamps in dependence on the operating frequency

    Energy Technology Data Exchange (ETDEWEB)

    Ruhrmann, C; Westermeier, M; Bergner, A; Awakowicz, P; Mentel, J [Ruhr University Bochum, Electrical Engineering and Plasma Technology, D-44780 Bochum (Germany); Luijks, G M J F, E-mail: juergen.mentel@ruhr-uni-bochum.de [Philips Lighting, GBU HID, PO box 80020, 5600JM Eindhoven (Netherlands)

    2011-09-07

    The work function and with it the temperature of tungsten electrodes in HID lamps can be lowered and the lifetime of lamps increased by the gas phase emitter effect. A determination of the emitter effect of Cs and Ce is performed by phase resolved measurements of the electrode tip temperature T{sub tip}({psi}), plasma temperature T{sub pl}({psi}) and particle densities N({psi}) by means of pyrometric, optical emission and broadband absorption spectroscopy in dependence on the operating frequency. The investigated HID lamps are ceramic metal halide lamps with transparent discharge vessels made of YAG, filled with a buffer gas consisting of Ar, Kr and predominantly Hg and seeded with CsI or CeI{sub 3}. In the YAG lamp seeded with CsI and CeI{sub 3} as well as in a YAG lamp seeded with DyI{sub 3} (corresponding results can be found in a preceding paper) a gas phase emitter effect is observed in the cathodic phase due to a Cs, Ce or Dy ion current. In the YAG lamp seeded with CsI the phase averaged coverage of the electrode surface with emitter atoms decreases and the electrode temperature rises with increasing frequency, whereas the emitter effect of Ce and Dy is extended to the anodic phase, which leads to a decreased average temperature T{sub tip}({psi}) with increasing frequency. This different behaviour of the averaged values of T{sub tip}({psi}) for increasing frequency is caused by the differing adsorption energies E{sub a} of the respective emitter materials. In spite of the influence of E{sub a} on the coverage of the electrode with emitter atoms, the cathodic gas phase emitter effect produces in the YAG lamps seeded with CsI, CeI{sub 3} and DyI{sub 3} a general reduction in the electrode tip temperature T{sub tip}({psi}) in comparison with a YAG lamp with Hg filling only.

  7. Nucleation reactions during deformation and crystallization of metallic glass

    International Nuclear Information System (INIS)

    Perepezko, J.H.; Imhoff, S.D.; Chen, M.W.; Gonzalez, S.; Inoue, A.

    2012-01-01

    Highlights: ► New approach to the examination and analysis of shear band nucleation. ► Discovery of multiple shear band nucleation sites. ► Identification of a method of using transient kinetic behavior to provide a more realistic evaluation of the diffusivity that is relevant to nucleation. - Abstract: Nucleation reactions play a central role in the synthesis of both bulk metallic glasses and nanostructured materials. For nanostructured materials it is necessary to promote a high nucleation density without significant growth or coarsening. Beyond crystallization reactions nucleation of shear bands is critical for promoting a homogeneous flow and useful ductility for structural applications of bulk metallic glass. The study and analysis of nucleation reactions for these different situations requires a consideration of the stochastic nature of nucleation, the influence of heterogeneous sites, and the controlling transport properties. For shear band nucleation, the stochastic nature can be effectively probed by instrumented nanoindentation tests. The analysis of a statistically significant number of measurements of the first pop-in shear band nucleation events reveals at least two main nucleation sites. In nanostructured composites, the initial nucleation stage is influenced by transient effects as reflected in the delay time prior to steady state nucleation and by heterogeneous nucleation sites that are related to medium range order regions in Al-base amorphous alloys. Moreover, the early growth characteristics are linked to the maximum achievable particle density. The new developments and insight on the fundamental understanding of nanostructure reaction mechanisms offer valuable guidance for control of nanoscale microstructures and for promoting ductile deformation behavior.

  8. Photodynamic therapy using a novel irradiation source, LED lamp, is similarly effective to photodynamic therapy using diode laser or metal-halide lamp on DMBA- and TPA-induced mouse skin papillomas.

    Science.gov (United States)

    Takahashi, Hidetoshi; Nakajima, Susumu; Ogasawara, Koji; Asano, Ryuji; Nakae, Yoshinori; Sakata, Isao; Iizuka, Hajime

    2014-08-01

    Photodynamic therapy (PDT) is useful for superficial skin tumors such as actinic keratosis and Bowen disease. Although PDT is non-surgical and easily-performed treatment modality, irradiation apparatus is large and expensive. Using 7, 12-dimethylbenz[a]anthracene (DMBA) and 12-ο-tetradecanoylphorbol-13-acetate (TPA)-induced mouse skin papilloma model, we compared the efficacy of TONS501- and ALA-PDT with a LED lamp, a diode laser lamp or a metal-halide lamp on the skin tumor regression. TONS501-PDT using 660 nm LED lamp showed anti-tumor effect at 1 day following the irradiation and the maximal anti-tumor effect was observed at 3 days following the irradiation. There was no significant difference in the anti-tumor effects among TONS501-PDT using LED, TONS501-PDT using diode laser, and 5-aminolevulinic acid hydrochloride (ALA)-PDT using metal-halide lamp. Potent anti-tumor effect on DMBA- and TPA-induced mouse skin papilloma was observed by TONS501-PDT using 660 nm LED, which might be more useful for clinical applications. © 2014 Japanese Dermatological Association.

  9. Crystallization behavior of Zr62Al8Ni13Cu17 Metallic Glass

    Directory of Open Access Journals (Sweden)

    Jo Mi Sun

    2017-06-01

    Full Text Available The crystallization behavior has been studied in Zr62Al8Ni13Cu17 metallic glass alloy. The Zr62Al8Ni13Cu17 metallic glass crystallized through two steps. The fcc Zr2Ni phase transformed from the amorphous matrix during first crystallization and then the Zr2Ni and residual amorphous matrix transformed into a mixture of tetragonal Zr2Cu and hexagonal Zr6Al2Ni phases. Johnson-Mehl-Avrami analysis of isothermal transformation data suggested that the formation of crystalline phase is primary crystallization by diffusion-controlled growth.

  10. Friction and Wear of Metals With a Single-Crystal Abrasive Grit of Silicon Carbide - Effect of Shear Strength of Metal

    National Research Council Canada - National Science Library

    Miyoshi, Kazuhisa

    1978-01-01

    An investigation was conducted to examine the removal and plastic deformation of metal as a function of the metal properties when the metal is in sliding contact with a single-crystal abrasive grit of silicon carbide...

  11. Friction and metal transfer for single-crystal silicon carbide in contact with various metals in vacuum

    International Nuclear Information System (INIS)

    Miyoshi, K.; Buckley, D.H.

    1978-04-01

    Sliding friction experiments were conducted with single-crystal silicon carbide in contact with transition metals (tungsten, iron, rhodium, nickel, titanium, and cobalt), copper, and aluminum. Results indicate the coefficient of friction for a silicon carbide-metal system is related to the d bond character and relative chemical activity of the metal. The more active the metal, the higher the coefficient of friction. All the metals examined transferred to the surface of silicon carbide in sliding. The chemical activity of metal to silicon and carbon and shear modulus of the metal may play important roles in metal transfer and the form of the wear debris. The less active metal is, and the greater resistance to shear it has, with the exception of rhodium and tungsten, the less transfer to silicon carbide

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

    International Nuclear Information System (INIS)

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

    2001-01-01

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

  13. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    KAUST Repository

    Afify, N. D.; Salem, H. G.; Yavari, A.; El Sayed, Tamer S.

    2013-01-01

    Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano

  14. 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

  15. 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

  16. 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).

  17. Surface modes at metallic an photonic crystal interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Weitao [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    A surface mode is an electromagnetic field distribution bounded at a surface. It decays exponentially with the distance from the surface on both sides of the surface and propagates at the surface. The surface mode exists at a metal-dielectric interface as surface plasmon (1) or at a photonic crystal surface terminated properly (34; 35; 36). Besides its prominent near-filed properties, it can connect structures at its propagation surface and results in far-field effects. Extraordinary transmission (EOT) and beaming are two examples and they are the subjects I am studying in this thesis. EOT means the transmission through holes in an opaque screen can be much larger than the geometrical optics limitation. Based on our everyday experience about shadows, the transmission equals the filling ratio of the holes in geometrical optics. The conventional diffraction theory also proved that the transmission through a subwavelength circular hole in an infinitely thin perfect electric conductor (PEC) film converges to zero when the hole's dimension is much smaller than the wavelength (40). Recently it is discovered that the transmission can be much larger than the the filling ratio of the holes at some special wavelengths (41). This cannot be explained by conventional theories, so it is called extraordinary transmission. It is generally believed that surface plasmons play an important role (43; 44) in the EOT through a periodic subwavelength hole array in a metallic film. The common theories in literatures are based on these arguments. The surface plasmons cannot be excited by incident plane waves directly because of momentum mismatch. The periodicity of the hole arrays will provide addition momentum. When the momentum-matching condition of surface plasmons is satisfied, the surface plasmons will be excited. Then these surface plasmons will collect the energy along the input surface and carry them to the holes. So the transmission can be bigger than the filling ratio. Based

  18. Bulk glass formation and crystallization in zirconium based bulk metallic glass forming alloys

    International Nuclear Information System (INIS)

    Savalia, R.T.; Neogy, S.; Dey, G.K.; Banerjee, S.

    2002-01-01

    The microstructures of Zr based metallic glasses produced in bulk form have been described in the as-cast condition and after crystallization. Various microscopic techniques have been used to characterize the microstructures. The microstructure in the as-cast condition was found to contain isolated crystals and crystalline aggregates embedded in the amorphous matrix. Quenched-in nuclei of crystalline phases were found to be present in fully amorphous regions. These glasses after crystallization gave rise to nanocrystalline solids. (author)

  19. Standard test method for determining the orientation of a metal crystal

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2009-01-01

    1.1 This test method covers the back-reflection Laue procedure for determining the orientation of a metal crystal. The back-reflection Laue method for determining crystal orientation (1, 2) may be applied to macrograins (3) (0.5-mm diameter or larger) within polycrystalline aggregates, as well as to single crystals of any size. The method is described with reference to cubic crystals; it can be applied equally well to hexagonal, tetragonal, or orthorhombic crystals. 1.2 Most natural crystals have well developed external faces, and the orientation of such crystals can usually be determined from inspection. The orientation of a crystal having poorly developed faces, or no faces at all (for example, a metal crystal prepared in the laboratory) must be determined by more elaborate methods. The most convenient and accurate of these involves the use of X-ray diffraction. The “orientation of a metal crystal” is known when the positions in space of the crystallographic axes of the unit cell have been located with...

  20. Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1998-01-01

    The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

  1. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    KAUST Repository

    Afify, N. D.

    2013-10-01

    Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano-crystalline metals, the superiority of small single crystals has neither been fundamentally explained nor quantified to this date. Here we present a molecular dynamics study of aluminum single crystals in the size range from 4.1 nm to 40.5 nm. We show that the ultimate mechanical strength deteriorates exponentially as the single crystal size increases. The small crystals superiority is explained by their ability to continuously form vacancies and to recover them. © 2013 Published by Elsevier B.V.

  2. Massive photon properties in 3D photonic crystals, filled by dielectrics or metals

    International Nuclear Information System (INIS)

    Gorelik, V S

    2009-01-01

    The optical properties of 3D photonic crystals-artificial opals, consisting of monosized silica globules-have been investigated. The volume between globules was filled by various dielectrics or metals. The dispersion law of electromagnetic waves of this type of crystal has been obtained. It was shown that the sign of photonic mass in globular photonic crystals may be positive or negative for different points on dispersion curves. The value of the effective mass of photons depends on the refractive index of the substance infiltrated into the globular photonic crystal.

  3. 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...

  4. A study of the convective flow as a function of external parameters in a high-pressure metal halide discharge lamp (HgDyI{sub 3})

    Energy Technology Data Exchange (ETDEWEB)

    Hajji, S.; HadjSalah, S.; Benhalima, A.; Charrada, K. [Unité d' Etude des Milieux Ionisés et Réactifs, IPEIM, 5019 route de Kairouan Monastir, Université de Monastir (Tunisia); Zissis, G. [Laboratoire Plasma et Conversion d' Énergie, 118 rte Narbonne, Bât3R2, 31062 Toulouse (France)

    2016-06-15

    This paper deals with the modelling of the convection processes in metal–halide lamp discharges (HgDyI{sub 3}). For this, we realized a 3D model, a steady, direct current powered and time-depending model for the solution of conservation equations relative to mass, momentum, and energy. After validation, this model was applied to the study of the effect of some parameters that have appeared on major transport phenomena of mass and energy in studying the lamp. Indeed, the electric current, the atomic ratio (Hg/Dy), and the effect of the convective transport have been studied.

  5. Associated equilibria with participatian of single and mixed silver, lead and cadmium halide complexes in mixtures of molten alkali and alkaline earth metal nitrates

    International Nuclear Information System (INIS)

    Gouk, Kh.S.; Gupta, R.K.; Vekma, K.V.

    1983-01-01

    Associated equilibria in the systems, which contain single and mixed silver, cadmium and lead halide complexes in the KNO 3 -Ba(N0 3 ) 2 (87.6:12.4 and 89:11 mol.%) and NaNO 3 -Ba(NO 3 ) 2 (94.2-5.8 mol%) melts in the temperature range from 568.2 up to 698.2 K are investigated. Applicability of equations derivated on the base of quasi-lattice model to description of temperature coefficients of association constants is analized

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-02-15

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

  7. Polymorphic crystallization of metal-metalloid-glasses above the glass transition temperature

    International Nuclear Information System (INIS)

    Koster, U.; Schunemann, U.; Stephenson, G.B.; Brauer, S.; Sutton, M.

    1992-01-01

    Crystallization of metal-metalloid glasses is known to proceed by nucleation and growth processes. Using crystallization statistics in partially crystallized glasses, at temperatures below the glass transition temperature, time-dependent heterogeneous nucleation has been found to occur at a number of quenched-in nucleation sites. Close to the glass transition temperature crystallization proceeds so rapidly that partially crystallized microstructures could not be obtained. Initial results form fully crystallized glasses exhibit evidence for a transient homogeneous nucleation process at higher temperatures. These conclusions are derived post mortem. At there may be some change of the microstructure after crystallization is finished or during he subsequent quenching, it is desirable to directly obtain information during the early stages of crystallization. Recently reported work by Sutton et al. showed that structural changes can be observed in situ during crystallization by time-resolved x-ray diffraction on time scales as short as milliseconds. The aim o the paper is to present the authors study of the crystallization behavior at temperatures near the glass transition by in-situ x-ray diffraction studies and by microstructural analysis after rapid heating experiments. The results are compared to those derived from a computer model of the crystallization process

  8. Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan

    2013-01-01

    Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

  9. Vitrification and Crystallization of Phase-Separated Metallic Liquid

    Directory of Open Access Journals (Sweden)

    Yun Cheng

    2017-02-01

    Full Text Available The liquid–liquid phase separation (LLPS behavior of Fe50Cu50 melt from 3500 K to 300 K with different rapid quenching is investigated by molecular dynamics (MD simulation based on the embedded atom method (EAM. The liquid undergoes metastable phase separation by spinodal decomposition in the undercooled regime and subsequently solidifies into three different Fe-rich microstructures: the interconnected-type structure is kept in the glass and crystal at a higher cooling rate, while the Fe-rich droplets are found to crystalize at a lower cooling rate. During the crystallization process, only Fe-rich clusters can act as the solid nuclei. The twinning planes can be observed in the crystal and only the homogeneous atomic stacking shows mirror symmetry along the twinning boundary. Our present work provides atomic-scale understanding of LLPS melt during the cooling process.

  10. 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

  11. 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).

  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. 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.

  14. Depletion-mode vertical Ga2O3 trench MOSFETs fabricated using Ga2O3 homoepitaxial films grown by halide vapor phase epitaxy

    Science.gov (United States)

    Sasaki, Kohei; Thieu, Quang Tu; Wakimoto, Daiki; Koishikawa, Yuki; Kuramata, Akito; Yamakoshi, Shigenobu

    2017-12-01

    We developed depletion-mode vertical Ga2O3 trench metal-oxide-semiconductor field-effect transistors by using n+ contact and n- drift layers. These epilayers were grown on an n+ (001) Ga2O3 single-crystal substrate by halide vapor phase epitaxy. Cu and HfO2 were used for the gate metal and dielectric film, respectively. The mesa width and gate length were approximately 2 and 1 µm, respectively. The devices showed good DC characteristics, with a specific on-resistance of 3.7 mΩ cm2 and clear current modulation. An on-off ratio of approximately 103 was obtained.

  15. Metallic Na formation in NaCl crystals with irradiation of electron or vacuum ultraviolet photon

    Energy Technology Data Exchange (ETDEWEB)

    Owaki, Shigehiro [Osaka Prefecture Univ., Sakai, Osaka (Japan). Coll. of Integrated Arts and Sciences; Koyama, Shigeko; Takahashi, Masao; Kamada, Masao; Suzuki, Ryouichi

    1997-03-01

    Metallic Na was formed in NaCl single crystals with irradiation of a variety of radiation sources and analyzed the physical states with several methods. In the case of irradiation of 21 MeV electron pulses to the crystal blocks, the optical absorption and lifetime measurement of positron annihilation indicated appearance of Na clusters inside. Radiation effects of electron beam of 30 keV to the crystals in vacuum showed the appearance of not only metallic Na but atomic one during irradiation with Auger electron spectroscopy. Intense photon fluxes in vacuum ultraviolet region of synchrotron radiation were used as another source and an analyzing method of ultraviolet photoelectron spectroscopy. The results showed the metallic Na layered so thick that bulk plasmon can exist. (author)

  16. Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

    DEFF Research Database (Denmark)

    Touborg, P.; Høg, J.

    1974-01-01

    Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solute....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

  17. Monocrystallomimicry in the aerosols of ammonium and cesium halides

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  18. 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 ...

  19. Creep of crystals: High-temperature deformation processes in metals, ceramics and minerals

    Science.gov (United States)

    Poirier, J. P.

    An introductory text describing high-temperature deformation processes in metals, ceramics, and minerals is presented. Among the specific topics discussed are: the mechanical aspects of crystal deformation; lattice defects; and phenomenological and thermodynamical analysis of quasi-steady-state creep. Consideration is also given to: dislocation creep models; the effect of hydrostatic pressure on deformation; creep polygonization; and dynamic recrystallization. The status of experimental techniques for the study of transformation plasticity in crystals is also discussed.

  20. Bipolarons in metal-metal halide solutions

    Energy Technology Data Exchange (ETDEWEB)

    Fois, E.S.; Selloni, A.; Parrinello, M.; Car, R.

    1988-06-02

    A novel molecular dynamics method is used to follow the adiabatic dynamics of two electrons solvated in molten KCl. The electrons are treated quantum mechanically within the local spin density approximation. A coupled set of Newtonian and time-dependent Schroedinger-like equations is used to describe the evolution of the ions and of the Kohn-Sham orbitals. The authors find that parallel spin electrons repel each other and form separate F-center-like states. Antiparallel spin electrons, instead, attract each other and coalesce into a single bipolaronic complex. The electrons sit mostly in an ionic cavity which is surrounded by cations. The diffusion of the bipolaron, while bound, occurs on an ionic time scale. However, dissociation processes occur during which the electrons can acquire a high mobility leading on average to a large electronic diffusion.

  1. Halide-oxide carbon vapor transport of ZnO: Novel approach for unseeded growth of single crystals with controllable growth direction

    Science.gov (United States)

    Colibaba, G. V.

    2018-05-01

    The thermodynamic analysis of using HCl + CO gas mixture as a chemical vapor transport agent (TA) for ZnO single crystal growth in closed ampoules, including 11 chemical species, is carried out for wide temperature and loaded TA pressure ranges. The advantages of HCl + CO TA for faster and more stable growth are shown theoretically in comparison with HCl, HCl + H2 and CO. The influence of the growth temperature, of the TA density, of the HCl/CO ratio, and of the undercooling on the ZnO mass transport rate was investigated theoretically and experimentally. The HCl/CO ratios favorable for the growth of m planes and (0001)Zn surface were found. It was shown that HCl + CO TA provides: (i) a rather high growth rate (up to 1.5 mm per day); (ii) a decrease of wall adhesion effect and an etch pit density down to 103 cm-2; (iii) a minimization of growth nucleus quantity down to 1; (iv) stable unseeded growth of the high crystalline quality large single crystals with a controllable preferred growth direction. The characterization by the photoluminescence spectra, the transmission spectra and the electrical properties are analyzed.

  2. Artificial crystals with 3d metal and palladium particles subjected to high-temperature heat treatment

    Science.gov (United States)

    Rinkevich, A. B.; Nemytova, O. V.; Perov, D. V.; Samoylovich, M. I.; Kuznetsov, E. A.

    2018-04-01

    High-temperature heat treatment has valuable impact on the structure and physical properties of artificial crystals with 3d metal and palladium particles. Artificial crystals are obtained by means of introduction of particles into the interspherical voids of opal matrices. The magnetic properties are studied at the temperatures ranging from 2 to 300 K and in fields up to 350 kOe. Microwave properties are investigated in the millimeter frequency range. The complex dielectric permittivity of several nanocomposites is measured. The influence of heat treatment up to 960 °C on the structure of artificial crystals is clarified.

  3. Radiation chemistry of the alkali halides

    International Nuclear Information System (INIS)

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

    1987-01-01

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

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

    Science.gov (United States)

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

    2016-10-13

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

  5. 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

  6. 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...

  7. Crystal field of Dy in non-magnetic metals

    NARCIS (Netherlands)

    Kikkert, Pieter Jan Willem

    1980-01-01

    Many investigations carried out during the last 15 years have demonstrated that the crystalline electric field (CEF) has a great influence on the low temperature magnetic behaviour of rare earth ions in metallic systems (see e.g. /1/) . It is therefore important to understand the origin of the CEF

  8. Numerical study on characteristic of two-dimensional metal/dielectric photonic crystals

    Science.gov (United States)

    Zong, Yi-Xin; Xia, Jian-Bai; Wu, Hai-Bin

    2017-04-01

    An improved plan-wave expansion method is adopted to theoretically study the photonic band diagrams of two-dimensional (2D) metal/dielectric photonic crystals. Based on the photonic band structures, the dependence of flat bands and photonic bandgaps on two parameters (dielectric constant and filling factor) are investigated for two types of 2D metal/dielectric (M/D) photonic crystals, hole and cylinder photonic crystals. The simulation results show that band structures are affected greatly by these two parameters. Flat bands and bandgaps can be easily obtained by tuning these parameters and the bandgap width may reach to the maximum at certain parameters. It is worth noting that the hole-type photonic crystals show more bandgaps than the corresponding cylinder ones, and the frequency ranges of bandgaps also depend strongly on these parameters. Besides, the photonic crystals containing metallic medium can obtain more modulation of photonic bands, band gaps, and large effective refractive index, etc. than the dielectric/dielectric ones. According to the numerical results, the needs of optical devices for flat bands and bandgaps can be met by selecting the suitable geometry and material parameters. Project supported by the National Basic Research Program of China (Grant No. 2011CB922200) and the National Natural Science Foundation of China (Grant No. 605210010).

  9. Numerical study on characteristic of two-dimensional metal/dielectric photonic crystals

    International Nuclear Information System (INIS)

    Zong Yi-Xin; Xia Jian-Bai; Wu Hai-Bin

    2017-01-01

    An improved plan-wave expansion method is adopted to theoretically study the photonic band diagrams of two-dimensional (2D) metal/dielectric photonic crystals. Based on the photonic band structures, the dependence of flat bands and photonic bandgaps on two parameters (dielectric constant and filling factor) are investigated for two types of 2D metal/dielectric (M/D) photonic crystals, hole and cylinder photonic crystals. The simulation results show that band structures are affected greatly by these two parameters. Flat bands and bandgaps can be easily obtained by tuning these parameters and the bandgap width may reach to the maximum at certain parameters. It is worth noting that the hole-type photonic crystals show more bandgaps than the corresponding cylinder ones, and the frequency ranges of bandgaps also depend strongly on these parameters. Besides, the photonic crystals containing metallic medium can obtain more modulation of photonic bands, band gaps, and large effective refractive index, etc. than the dielectric/dielectric ones. According to the numerical results, the needs of optical devices for flat bands and bandgaps can be met by selecting the suitable geometry and material parameters. (paper)

  10. 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

  11. Optical trapping of metal-dielectric nanoparticle clusters near photonic crystal microcavities.

    Science.gov (United States)

    Mejia, Camilo A; Huang, Ningfeng; Povinelli, Michelle L

    2012-09-01

    We predict the formation of optically trapped, metal-dielectric nanoparticle clusters above photonic crystal microcavities. We determine the conditions on particle size and position for a gold particle to be trapped above the microcavity. We then show that strong field redistribution and enhancement near the trapped gold nanoparticle results in secondary trapping sites for a pair of dielectric nanoparticles.

  12. Interfacial morphologies and growth modes of F.C.C. metallic crystals from liquid alloys

    International Nuclear Information System (INIS)

    Camel, Denis

    1980-01-01

    Equilibrium and growth morphologies of f.c.c. metallic crystals in contact with liquid alloys have been observed in-situ using transmission electron microscopy. These morphologies have been discussed in terms of atomic interfacial structure and growth mechanisms with the help of a statistical thermodynamic model which takes into account the effects of chemical interactions and interfacial adsorption. (author) [fr

  13. Resonant halide perovskite nanoparticles

    Science.gov (United States)

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

    2017-09-01

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

  14. Crystallization kinetics of Ga metallic nano-droplets under As flux

    International Nuclear Information System (INIS)

    Bietti, S; Somaschini, C; Sanguinetti, S

    2013-01-01

    We present an experimental investigation of the crystallization dynamics of Ga nano-droplets under As flux. The transformation of the metallic Ga contained in the droplets into a GaAs nano-island proceeds by increasing the size of a tiny ring of GaAs which is formed just after the Ga deposition at the rim of a droplet. The GaAs crystallization rate depends linearly on the liquid–solid interface area. The maximum growth rate is set by the As flux impinging on the droplet, thus showing an efficient As incorporation and transport despite the predicted low solubility of the As in metallic Ga at the crystallization temperatures. (paper)

  15. Anisotropy of electron work function and reticular compacting of friable faces of metallic crystals

    International Nuclear Information System (INIS)

    Vladimirov, A.F.

    1999-01-01

    The review and statistical estimate of experimental data on work functions for BCC-, FCC- and HCP - metals (W, Mo, Ta, Nb, Cr, V, Ni, Y) as well as the earlier developed quantum-mechanical statistical model of double electrical layer formation at metal surface and the calculation of an electron work function dipole constituent serve as a basis for the development of a semi-empirical theory of electron work function anisotropy. A coefficient of reticular compacting of friable crystal faces is introduced and statistically estimated. A coefficient of crystal emission anisotropy is also introduced and estimated both theoretically and empirically. The theory permits calculating work functions for all crystal faces and a volumetric constituent of the work function from the measured value of electron work function for a single face [ru

  16. Bond ionicity in crystals of transition metal compounds

    International Nuclear Information System (INIS)

    Kesler, Ya.A.

    1989-01-01

    A unified method of calculating bond ionicity in inorganic crystals is suggested. The approach presented envisages the sealing of d-electron contribution to ξ,p-electron contribution for the retention of community which can only be implemented by a self-consistent procedure. The results of self-consistent calculations of bond parameters of a number of crystals (ScN, Sc 2 O 3 , In 2 O 3 , J 2 O 3 ) as compared with the data for ξ,p-analogues are given. Ionicity changes in the series of analogous compounds utterly correspond to existing chemical concepts. The data for oxides of 4d-, 5d-elements (ZrO 2 , CeO 2 , ThO 2 ) and for a number of ternary compounds containing two types of bonds (LiNbO 3 , CdSc 2 S 4 , CdCr 2 Se 4 etc) are also given. In the case of transition elements ionicity to a great extent depends on the symmetry of anion environment and correlates to orbital population well. Ionicity values are in direct proportion to effective charges of atoms of transition elements

  17. Primary crystallization in Al-rich metallic glasses at unusually low temperatures

    International Nuclear Information System (INIS)

    Bokeloh, J.; Boucharat, N.; Roesner, H.; Wilde, G.

    2010-01-01

    The initial stage of the primary crystallization reaction and the glass transition of the marginal metallic glass Al 89 Y 6 Fe 5 were investigated by conventional differential scanning calorimetry (DSC) and modulated differential scanning calorimetry (MDSC), microcalorimetry, X-ray diffraction (XRD) and transmission electron microscopy. A sharp onset of the primary crystallization was found by microcalorimetry and XRD studies at temperatures which were 120 deg. C below the primary crystallization peak observed in conventional DSC. A systematic MDSC study of annealed samples revealed a wide spectrum of glass transition onsets, which show a strong dependence on the annealing conditions. In addition, the glass transition onsets can be linked to the initial stage of the primary crystallization. The spectrum of glass transition onsets observed is discussed with respect to the occurrence of phase separation preceding the nucleation and growth of dendritic aluminium nanocrystals.

  18. Crystallization kinetics of the Cu50Zr50 metallic glass under isothermal conditions

    International Nuclear Information System (INIS)

    Gao, Qian; Jian, Zengyun; Xu, Junfeng; Zhu, Man; Chang, Fange; Han, Amin

    2016-01-01

    Amorphous structure of the melt-spun Cu 50 Zr 50 amorphous alloy ribbons were confirmed by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HR-TEM). Isothermal crystallization kinetics of these alloy ribbons were investigated using differential scanning calorimetry (DSC). Besides, Arrhenius and Johnson-Mehl-Avrami (JMA) equations were utilized to obtain the isothermal crystallization kinetic parameters. As shown in the results, the local activation energy E α decreases by a large margin at the crystallized volume fraction α<0.1, which proves that crystallization process is increasingly easy. In addition, the local activation energy E α is basically constant at 0.1<α<0.9. Therefore, it turns out that the unchanged barrier is overcome in the crystallization process. Finally, E α rapidly decreases at 0.9<α<1, implying that crystallization becomes easier and easier to proceed. Nucleation activation energy E nucleation is greater than growth activation energy E growth , so nucleation is harder than growth in isothermal process. In terms of the local Avrami exponent n(α), it ranges 1.1–7.4, revealing that isothermal crystallization mechanism is interface-controlled one- two- or three-dimensional growth with different nucleation rates. - Graphical abstract: The local Avrami exponent n(α), it ranges 1.1–7.4, revealing that isothermal crystallization mechanism is interface-controlled one- two- or three-dimensional growth with different nucleation rates. - Highlights: • Isothermal crystallization kinetics of Cu 50 Zr 50 metallic glass was investigated. • The relationship between the local activation energy E α and the crystallized volume fraction α were determined. • The nucleation activation energy E nucleation and grain growth activation energy E growth were obtained. • The local Avrami exponent n(α) was calculated in isothermal model.

  19. Ionothermal synthesis and crystal structures of metal phosphate chains

    International Nuclear Information System (INIS)

    Wragg, David S.; Le Ouay, Benjamin; Beale, Andrew M.; O'Brien, Matthew G.; Slawin, Alexandra M.Z.; Warren, John E.; Prior, Timothy J.; Morris, Russell E.

    2010-01-01

    We have prepared isostructural aluminium and gallium phosphate chains by ionothermal reactions in 1-ethyl-3-methylimidazolium bromide and 1-ethylpyridinium bromide under a variety of conditions. The chains can be prepared as pure phases or along with three dimensional framework phases. The chains are favoured at shorter heating times and the crystallinity can be improved by addition of transition metal acetates and amines which are not included in the final structure. The chain can be prepared with or without the presence of hydrofluoric acid. - Graphical abstract: Chain structures prepared from ionic liquid solvents under a wide variety of synthesis conditions.

  20. 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.

  1. Finding New Perovskite Halides via Machine learning

    Science.gov (United States)

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

    2016-04-01

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

  2. Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

    Science.gov (United States)

    Degirmenci, Elif; Landais, Pascal

    2013-10-20

    Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

  3. 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.

  4. Barium iodide and strontium iodide crystals and scintillators implementing the same

    Science.gov (United States)

    Payne, Stephen A.; Cherepy, Nerine; Pedrini, Christian; Burger, Arnold

    2016-09-13

    In one embodiment, a crystal includes at least one metal halide; and an activator dopant comprising ytterbium. In another general embodiment, a scintillator optic includes: at least one metal halide doped with a plurality of activators, the plurality of activators comprising: a first activator comprising europium, and a second activator comprising ytterbium. In yet another general embodiment, a method for manufacturing a crystal suitable for use in a scintillator includes mixing one or more salts with a source of at least one dopant activator comprising ytterbium; heating the mixture above a melting point of the salt(s); and cooling the heated mixture to a temperature below the melting point of the salts. Additional materials, systems, and methods are presented.

  5. White-Light Emission from Layered Halide Perovskites.

    Science.gov (United States)

    Smith, Matthew D; Karunadasa, Hemamala I

    2018-03-20

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

  6. Ductility prediction of substrate-supported metal layers based on rate-independent crystal plasticity theory

    Directory of Open Access Journals (Sweden)

    Akpama Holanyo K.

    2016-01-01

    Full Text Available In this paper, both the bifurcation theory and the initial imperfection approach are used to predict localized necking in substrate-supported metal layers. The self-consistent scale-transition scheme is used to derive the mechanical behavior of a representative volume element of the metal layer from the behavior of its microscopic constituents (the single crystals. The mechanical behavior of the elastomer substrate follows the neo-Hookean hyperelastic model. The adherence between the two layers is assumed to be perfect. Through numerical results, it is shown that the limit strains predicted by the initial imperfection approach tend towards the bifurcation predictions when the size of the geometric imperfection in the metal layer vanishes. Also, it is shown that the addition of an elastomer layer to a metal layer enhances ductility.

  7. Studies on the crystallization of a metal glass by ferromagnetic resonance

    International Nuclear Information System (INIS)

    Rodrigues, R.W.D.

    1983-01-01

    The crystallization of the metal glass METGLAS 2826A has been studied with the ferromagnetic resonance technique. The first-derivative linewidth of the absorption curve was measured for several times and temperatures of isothermal treatments, in the range 350 0 C - 375 0 C. After an initial decrease, attributed to stress relaxation, the linewidth increases linearly with the transformed fraction of the first crystallization phase. The measured apparent activation energy for this first phase is 306 KJ/mol. The experimental results for larger aging times show that, for all aging temperature, the second crystallization phase starts to form when the transformed fraction of the first phase is of the order of 50%. (Author) [pt

  8. Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields

    Science.gov (United States)

    Bertaina, S.; Shim, J. H.; Gambarelli, S.; Malkin, B. Z.; Barbara, B.

    2009-11-01

    Contrary to the well-known spin qubits, rare-earth-metal qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground state which nutates (for several μs) and the Rabi frequency ΩR is anisotropic. Here, we present a study of the variations of ΩR(H→0) with the magnitude and direction of the static magnetic field H→0 for the odd Er167 isotope in a single crystal CaWO4:Er3+. The hyperfine interactions split the ΩR(H→0) curve into eight different curves which are fitted numerically and described analytically. These “spin-orbit qubits” should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

  9. Crystallization of Cu60Ti20Zr20 metallic glass with and without pressure

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Yang, B.; Saksl, K.

    2003-01-01

    Structural stability of a Cu60Ti20Zr20 metallic glass under-pressure up to 4.5 GPa was investigated by x-ray diffraction. The sample exhibited a supercooled liquid region of 33 K and a ratio of the glass-transition temperature to the liquidus temperature of 0.63. The glass crystallized in two......, structure crystalline phase with a spacing group P6(3)/mmc (194) and lattice parameters a = 5.105 Angstrom and c = 8.231 Angstrom. Both crystallization temperatures increased with pressure having a slope of 19 K/GPa. The increase of the first crystallization temperature with increasing pressure in the glass...... can be explained by the suppression of atomic mobility. No significant structural change was detected in the Cu60Ti20Zr20 glass annealed,in vacuum at 697 K for I h as compared to the as-prepared sample from x-ray diffraction. measurements....

  10. Influence of metal induced crystallization parameters on the performance of polycrystalline silicon thin film transistors

    International Nuclear Information System (INIS)

    Pereira, L.; Barquinha, P.; Fortunato, E.; Martins, R.

    2005-01-01

    In this work, metal induced crystallization using nickel was employed to obtain polycrystalline silicon by crystallization of amorphous films for thin film transistor applications. The devices were produced through only one lithographic process with a bottom gate configuration using a new gate dielectric consisting of a multi-layer of aluminum oxide/titanium oxide produced by atomic layer deposition. The best results were obtained for TFTs with the active layer of poly-Si crystallized for 20 h at 500 deg. C using a nickel layer of 0.5 nm where the effective mobility is 45.5 cm 2 V -1 s -1 . The threshold voltage, the on/off current ratio and the sub-threshold voltage are, respectively, 11.9 V, 5.55x10 4 and 2.49 V/dec

  11. single crystal growth, x-ray structure analysis, optical band gap

    African Journals Online (AJOL)

    2015-09-01

    Sep 1, 2015 ... Hg...Hgand Cl...Cl interactions are stabilizing the structures in 3D pattern. UV-vis absorption spectra illustrate the change in opticalband gap from 3.01eVto 3.42eV on replacing the metal halide group.Raman and Hyper-Raman tensors calculations were performed based on single crystal X-ray data and the ...

  12. 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.

  13. Pressure effect on crystallization temperature in Zr70Pd30 metallic glass

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Jeppesen, S; Saida, J.

    2004-01-01

    The pressure effect on amorphous-to-quasicrystalline-to-intermetallic phase transformations in a Zr70Pd30 metallic glass has been investigated by in situ x-ray diffraction measurements using synchrotron radiation. It is found that the glass crystallizes in two steps: (1) amorphous...... temperature for the formation of quasicrystals has been further discussed with the nucleation theory. ©2004 American Institute of Physics....

  14. The first demonstration of room temperature stimulated emission from metal halides -its evidence in CsPbBr3 films

    OpenAIRE

    中西, 貴之; 高橋, 一彰; 斎藤, 忠昭; 近藤, 新一

    2005-01-01

    Photoluminescence from CsPbBr3 films prepared by crystallization from the amorphous phase is measured under N2 laser excitation. Stimulated emission due to free exaction-free exaction inelastic collision occurs not only at cryogenic temperature but also elevated temperatures. The intensity of the stimulated emission more rapidly increases with pumping intensity at room temperature than at 77K. The temperature dependence of the stimulated emission measured under 1100kW cm-2 pumping shows th...

  15. Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode.

    Science.gov (United States)

    Bae, Ji-Eun; Kim, In Jung; Nam, Ki Hyun

    2017-11-04

    Glucose isomerase (GI) is an intramolecular oxidoreductase that interconverts aldoses and ketoses. These characteristics are widely used in the food, detergent, and pharmaceutical industries. In order to obtain an efficient GI, identification of novel GI genes and substrate binding/inhibition have been studied. Xylitol is a well-known inhibitor of GI. In Streptomyces rubiginosus, two crystal structures have been reported for GI in complex with xylitol inhibitor. However, a structural comparison showed that xylitol can have variable conformation at the substrate binding site, e.g., a nonspecific binding mode. In this study, we report the crystal structure of S. rubiginosus GI in a complex with xylitol and glycerol. Our crystal structure showed one metal binding mode in GI, which we presumed to represent the inactive form of the GI. The metal ion was found only at the M1 site, which was involved in substrate binding, and was not present at the M2 site, which was involved in catalytic function. The O 2 and O 4 atoms of xylitol molecules contributed to the stable octahedral coordination of the metal in M1. Although there was no metal at the M2 site, no large conformational change was observed for the conserved residues coordinating M2. Our structural analysis showed that the metal at the M2 site was not important when a xylitol inhibitor was bound to the M1 site in GI. Thus, these findings provided important information for elucidation or engineering of GI functions. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

    Science.gov (United States)

    Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

    2011-03-01

    Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

  17. 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

  18. Crystallization behaviour and thermal stability of two aluminium-based metallic glass powder materials

    Energy Technology Data Exchange (ETDEWEB)

    Li, X.P.; Yan, M. [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia); Yang, B.J. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Wang, J.Q., E-mail: jqwang@imr.ac.cn [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Schaffer, G.B. [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia); Qian, M., E-mail: ma.qian@uq.edu.au [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer The crystallization paths and products of Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder have been identified. Black-Right-Pointing-Pointer The thermal stability of Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder has been assessed. Black-Right-Pointing-Pointer The Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder shows a wide processing window of 75 K. Black-Right-Pointing-Pointer The powder has the potential to be consolidated into thick BMG components based on the findings. Black-Right-Pointing-Pointer The Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} powder shows similar characteristics but inferior thermal stability. - Abstract: The crystallization behaviour and thermal stability of two Al-based metallic glass powder materials, Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} and Al{sub 86}Ni{sub 6}Y{sub 4.5}Co{sub 2}La{sub 1.5}, have been investigated using differential scanning calorimetry (DSC), X-ray diffraction (XRD) and electron microscopy. Both alloy powders show a distinct three-stage crystallization process with a similar gap of {approx}75 K between the onset crystallization temperature (T{sub x}) and the second crystallization temperature. Crystallization occurs by the precipitation and growth of fcc-Al, without intermetallic formation. The apparent activation energy for each stage of crystallization was determined from DSC analyses and the phases resulting from each crystallization stage were identified by XRD and electron microscopy. The critical cooling rate for each alloy powder was calculated from the DSC data. These results are necessary to inform the consolidation of amorphous powder particles of Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} or Al{sub 86}Ni{sub 6}Y{sub 4.5}Co{sub 2}La{sub 1.5} into thick (>1 mm) metallic glass components.

  19. Thermodynamic properties of bcc crystals at high temperatures: The transition metals

    International Nuclear Information System (INIS)

    MacDonald, R.A.; Shukla, R.C.

    1985-01-01

    The second-neighbor central-force model of a bcc crystal, previously used in lowest-order anharmonic perturbation theory to calculate the thermodynamic properties of the alkali metals, is here applied to the transition metals V, Nb, Ta, Mo, and W. The limitations of the model are apparent in the thermal-expansion results, which fall away from the experimental trend above about 1800 K. The specific heat similarly fails to exhibit the sharp rise that is observed at higher temperatures. A static treatment of vacancies cannot account for the difference between theory and experiment. The electrons have been taken into account by using a model that specifically includes d-band effects in the electron ground-state energy. The results thus obtained for the bulk moduli are quite satisfactory. In the light of these results, we discuss the prerequisites for a better treatment of metals when the electrons play an important role in determining the thermodynamic properties

  20. 40 CFR 63.2465 - What requirements must I meet for process vents that emit hydrogen halide and halogen HAP or HAP...

    Science.gov (United States)

    2010-07-01

    ... process vents that emit hydrogen halide and halogen HAP or HAP metals? 63.2465 Section 63.2465 Protection... and halogen HAP or HAP metals? (a) You must meet each emission limit in Table 3 to this subpart that... section. (b) If any process vents within a process emit hydrogen halide and halogen HAP, you must...

  1. Development of halide copper vapor laser (the characteristics of using Cul)

    International Nuclear Information System (INIS)

    Oouti, Kazumi; Wada, Yukio; Sasao, Nobuyuki

    1990-01-01

    We are developing halide copper vapor laser that is high efficiency and high reputation rate visible laser. Halide copper vapor laser uses halide copper of copper vapor source. It melts low temperature in comporison with metal copper, because laser tube structure is very simple and it can operate easy. This time, we experiment to use Cul for copper vapor source. We resulted maximum output energy 17.8 (W) and maximum efficiency 0.78 (%) when operate condition was reputation rate 30 (kHz), gas pressure 90 (Torr), charging voltage 13 (kV). (author)

  2. Clustered atom-replaced structure in single-crystal-like metal oxide

    Science.gov (United States)

    Araki, Takeshi; Hayashi, Mariko; Ishii, Hirotaka; Yokoe, Daisaku; Yoshida, Ryuji; Kato, Takeharu; Nishijima, Gen; Matsumoto, Akiyoshi

    2018-06-01

    By means of metal organic deposition using trifluoroacetates (TFA-MOD), we replaced and localized two or more atoms in a single-crystalline structure having almost perfect orientation. Thus, we created a new functional structure, namely, clustered atom-replaced structure (CARS), having single-crystal-like metal oxide. We replaced metals in the oxide with Sm and Lu and localized them. Energy dispersive x-ray spectroscopy results, where the Sm signal increases with the Lu signal in the single-crystalline structure, confirm evidence of CARS. We also form other CARS with three additional metals, including Pr. The valence number of Pr might change from 3+ to approximately 4+, thereby reducing the Pr–Ba distance. We directly observed the structure by a high-angle annular dark-field image, which provided further evidence of CARS. The key to establishing CARS is an equilibrium chemical reaction and a combination of additional larger and smaller unit cells to matrix cells. We made a new functional metal oxide with CARS and expect to realize CARS in other metal oxide structures in the future by using the above-mentioned process.

  3. Making and Breaking of Lead Halide Perovskites

    KAUST Repository

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

    2016-01-01

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

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

    Science.gov (United States)

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

    2018-06-13

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

  5. Metal-loaded pollucite-like aluminophosphates: dissymmetrisation of crystal structures and physical properties

    Science.gov (United States)

    Shvanskaya, L. V.; Yakubovich, O. V.; Koshelev, A. V.; Vasiliev, A. N.

    2018-02-01

    Two aluminophosphate analogues of the mineral pollucite with the general formula Cs2(M,Al)3P3O12 (where M = Cu or Mn) have been synthesized by high-temperature flux and structurally characterized using the single-crystal X-ray diffraction. Both samples crystallize in cubic I4132 space group, Z = 8, with a = 13.5911(5) and a = 13.8544(7) for Cu- and Mn-loaded phases, respectively. Their framework structures are based on the ANA-type topology and exhibit the partial ordering of the metal (M/Al) and phosphorus (P) cations over the tetrahedral sites. The regular changes in cell dimensions and volumes in the row Cs2(Cu,Al)3P3O12→Cs2(Mn,Al)3P3O12 obviously correspond to increasing radii of the transition metal. The crystal chemical analysis of both pollucite-like phases show correlations between the difference in the radii size of tetrahedral cations and the degree of distortion of flexible ANA-type framework due to decreasing of the intertetrahedral angles (T-O-T). Magnetic susceptibility measurements indicate that both compounds are paramagnets in the temperature range of 2-300 K.

  6. Multi-scale simulation of single crystal hollow turbine blade manufactured by liquid metal cooling process

    Directory of Open Access Journals (Sweden)

    Xuewei Yan

    2018-02-01

    Full Text Available Liquid metal cooling (LMC process as a powerful directional solidification (DS technique is prospectively used to manufacture single crystal (SC turbine blades. An understanding of the temperature distribution and microstructure evolution in LMC process is required in order to improve the properties of the blades. For this reason, a multi-scale model coupling with the temperature field, grain growth and solute diffusion was established. The temperature distribution and mushy zone evolution of the hollow blade was simulated and discussed. According to the simulation results, the mushy zone might be convex and ahead of the ceramic beads at a lower withdrawal rate, while it will be concave and laggard at a higher withdrawal rate, and a uniform and horizontal mushy zone will be formed at a medium withdrawal rate. Grain growth of the blade at different withdrawal rates was also investigated. Single crystal structures were all selected out at three different withdrawal rates. Moreover, mis-orientation of the grains at 8 mm/min reached ~30°, while it was ~5° and ~15° at 10 mm/min and 12 mm/min, respectively. The model for predicting dendritic morphology was verified by corresponding experiment. Large scale for 2D dendritic distribution in the whole sections was investigated by experiment and simulation, and they presented a well agreement with each other. Keywords: Hollow blade, Single crystal, Multi-scale simulation, Liquid metal cooling

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

    OpenAIRE

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

    2018-01-01

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

  8. Crystallization and deuterium permeation behaviors of yttrium oxide coating prepared by metal organic decomposition

    Directory of Open Access Journals (Sweden)

    Takumi Chikada

    2016-12-01

    Full Text Available Yttrium oxide coatings were fabricated on reduced activation ferritic/martensitic steels by metal organic decomposition with a dip-coating technique, and their deuterium permeation behaviors were investigated. The microstructure of the coatings varied with heat-treatment temperature: amorphous at 670ºC (amorphous coating and crystallized at 700ºC (crystallized coating. Deuterium permeation flux of the amorphous coating was lower than the uncoated steel by a factor of 5 at 500ºC, while that of the crystallized coating was lower by a factor of around 100 at 400‒550ºC. The permeation fluxes of both coatings were drastically decreased during the measurements at higher temperatures by a factor of up to 790 for the amorphous coating and 1000 for the crystallized one, indicating a microstructure modification occurred by an effect of test temperature with hydrogen flux. Temperature dependence of deuterium diffusivity in the coatings suggests that the decrease of the permeation flux has been derived from a decrease of the diffusivity. Characteristic permeation behaviors were observed with different annealing conditions; however, they can be interpreted using the permeation mechanism clarified in the previous erbium oxide coating studies.

  9. Kinetic Study of Crystallization Process in Fe32Ni36Cr14P12B6 Metallic Glass

    International Nuclear Information System (INIS)

    Lad, Kirit; Pratap, Arun; Rao, T. L. Shanker

    2010-01-01

    Kinetics of crystallization process in a Fe-based metallic glass 2826A (Fe 32 Ni 36 Cr 14 P 12 B 6 ) has been studied with the help of differential scanning calorimetry(DSC). It is found that the 2826A metallic glass exhibits two overlapping crystallization peaks. The activation energy for crystallization (E) and the Avrami exponent (n) for the two crystallization peaks have been obtained using the Kolmogorov-Jhonson-Mehl-Avrami (KJMA) equation. The so-obtained values of E and n have been utilized to derive normalized heat flow curves. It has been observed that the theoretical heat flow curves obtained using KJMA equation show large deviations from the experimental curves for the first peak whereas the curves are in very close agreement for the second peak. This suggests that kinetics of crystallization process during the first peak cannot be described correctly in KJMA formalism.

  10. Kinetic Study of Crystallization Process in Fe32Ni36Cr14P12B6 Metallic Glass

    Science.gov (United States)

    Lad, Kirit; Rao, T. L. Shanker; Pratap, Arun

    2010-06-01

    Kinetics of crystallization process in a Fe-based metallic glass 2826A (Fe32Ni36Cr14P12B6) has been studied with the help of differential scanning calorimetry(DSC). It is found that the 2826A metallic glass exhibits two overlapping crystallization peaks. The activation energy for crystallization (E) and the Avrami exponent (n) for the two crystallization peaks have been obtained using the Kolmogorov-Jhonson-Mehl-Avrami (KJMA) equation. The so-obtained values of E and n have been utilized to derive normalized heat flow curves. It has been observed that the theoretical heat flow curves obtained using KJMA equation show large deviations from the experimental curves for the first peak whereas the curves are in very close agreement for the second peak. This suggests that kinetics of crystallization process during the first peak cannot be described correctly in KJMA formalism.

  11. Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

    Directory of Open Access Journals (Sweden)

    V.M. Chernov

    2016-12-01

    Full Text Available The state of a low-temperature embrittlement (cold brittleness and dislocation mechanisms for formation of the temperature of a ductile-brittle transition and brittle fracture of metals (mono- and polycrystals with various crystal lattices (BCC, FCC, HCP are considered. The conditions for their formation connected with a stress-deformed state and strength (low temperature yield strength as well as the fracture breaking stress and mobility of dislocations in the top of a crack of the fractured metal are determined. These conditions can be met for BCC and some HCP metals in the initial state (without irradiation and after a low-temperature damaging (neutron irradiation. These conditions are not met for FCC and many HCP metals. In the process of the damaging (neutron irradiation such conditions are not met also and the state of low-temperature embrittlement of metals is absent (suppressed due to arising various radiation dynamic processes, which increase the mobility of dislocations and worsen the strength characteristics.

  12. Low Temperature Synthesis of Metal Oxides by a Supercritical Seed Enhanced Crystallization (SSEC) Process

    DEFF Research Database (Denmark)

    Jensen, Henrik; Brummerstedt Iversen, Steen; Joensen, Karsten Dan

    2006-01-01

    A novel method for producing crystalline nanosized metal oxides by a Supercritical Seed Enhanced Crystallization (SSEC) Process has been developed. The process is a modified sol-gel process taking place at temperatures as low as 95 ºC with supercritical CO2 as solvent and polypropylene as seeding...... material. The nanocrystalline product is obtained without having to resort to costly post-reaction processing and the product is obtained directly after the SSEC process. TiO2 powders produced by the SSEC process were shown to have a crystallinity of 60 % and a crystal size of 7.3 ± 2.6 nm....... The crystallinity can be controlled by changing the heating rate of the initial formation of the nanoparticles and the morphology can be altered by changing the process time....

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

    Science.gov (United States)

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

    2017-01-01

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

  14. 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

  15. Effect of the Cu and Ni content on the crystallization temperature and crystallization mechanism of La–Al–Cu(Ni metallic glasses

    Directory of Open Access Journals (Sweden)

    Peiyou Li

    2016-02-01

    Full Text Available The effect of the Cu and Ni content on the crystallization mechanism and the crystallization temperatures of La–Al–Cu(Ni metallic glasses (MGs was studied by differential scanning calorimetry (DSC. The experimental results have shown that the DSC curves obtained for the La–Al–Cu and La–Al–Ni MGs exhibit two and three crystallization temperatures, respectively. The crystallization temperatures of the La–Al–Cu and La–Al–Ni MGs result from the merging and splitting of thermal events related to the corresponding eutectic atomic pairs in the La72Cu28 and La81.6Al18.4 MGs, and La72Ni28 and La81.6Al18.4 MGs, respectively. In addition, Al- and Ni-containing clusters with weak or strong atomic interaction in the Al–Ni atomic pairs strongly affect the crystallization mechanism and thus the crystallization temperature of La–Al–Ni MGs. This study provides a novel understanding of the relation between the crystallization temperature and the underlying crystallization mechanisms in La–Al–Cu(Ni MGs.

  16. 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+).

  17. A study of new rare-earth metal group-13 chalcohalides. Structures, chemistry, and optical properties

    International Nuclear Information System (INIS)

    Dorhout, P.K.; Van Calcar, P.M.

    1998-01-01

    Full text: Several new quaternary compounds from the rare-earth metal group-13 chalcohalide family have been prepared from alkaline earth halide flux reactions of binary and elemental starting materials. One compound, for example, Ca 2 La 6G a 2 S 1 4 , crystallizes as needles in an hexagonal cell while another, more disordered structure, La 11 Ga 19 Cl 6 S 42 , crystallizes as monoclinic plates. The former is a condensed structure with channels that contain the alkaline earth element while the latter forms a layered structure containing rare-earth halide clusters within interlayer galleries. These compounds are new members of a family of rare-earth metal main-group chalcogenides which show promise as electroluminescent materials. Structural and spectroscopic studies of these and related compounds will be discussed

  18. Small angle neutron scattering study of metallic alloys by a double crystal device

    International Nuclear Information System (INIS)

    Cser, L.; Kovacs, I.; Kroo, N.; Zsigmond, Gy.

    1982-06-01

    A double crystal small angle neutron scattering (SANS) device was built and a simple method for measuring the integrated SANS intensity was developed. The device and the method were tested and the possibility of future applications was demonstrated by measurements on different samples. The test measurements were performed on iron and teflon slabs of different thickness. On Fe-B metallic glasses a SANS intensity originating mainly from the multiple magnetic refraction at domain boundaries was observed. A very weak SANS intensity was found on turbine blades. The integrated SANS intensity was shown to correlate with the running time of the blades. Similar measurements were performed on artificially deformed steel samples. (author)

  19. Fabrication of Three Dimensional Cu Metallic Photonic Crystal by Electroless Plating

    International Nuclear Information System (INIS)

    Wu, S-C; Hou, F-J; Jian, P-C Jang-; Tsai, M-S; Chen, M-C; Li, L-S; Huang, J-Y; Lin, S-Y

    2007-01-01

    A 3D copper (Cu) metallic photonic crystal (MPC) with 180nm line width was fabricated by electroless plating. The mold of 3D MPC for Cu replacement is poly-Si. It has been verified as an enhancing thermal photovoltaic effect while the mold was transferred into tungsten MPC by chemical vapor deposition method. The 5 layers structure of Cu MPC was clear observed with scanning electron microscopy. The photonic band-gap ranged from 1.5 to 13 μm was measured by Fourier transform infrared spectroscopy (FTIR) instrument

  20. Control of Partial Coalescence of Self-Assembled Metal Nano-Particles across Lyotropic Liquid Crystals Templates towards Long Range Meso-Porous Metal Frameworks Design

    Directory of Open Access Journals (Sweden)

    Ludovic F. Dumée

    2015-10-01

    Full Text Available The formation of purely metallic meso-porous metal thin films by partial interface coalescence of self-assembled metal nano-particles across aqueous solutions of Pluronics triblock lyotropic liquid crystals is demonstrated for the first time. Small angle X-ray scattering was used to study the influence of the thin film composition and processing conditions on the ordered structures. The structural characteristics of the meso-structures formed demonstrated to primarily rely on the lyotropic liquid crystal properties while the nature of the metal nano-particles used as well as the their diameters were found to affect the ordered structure formation. The impact of the annealing temperature on the nano-particle coalescence and efficiency at removing the templating lyotropic liquid crystals was also analysed. It is demonstrated that the lyotropic liquid crystal is rendered slightly less thermally stable, upon mixing with metal nano-particles and that low annealing temperatures are sufficient to form purely metallic frameworks with average pore size distributions smaller than 500 nm and porosity around 45% with potential application in sensing, catalysis, nanoscale heat exchange, and molecular separation.

  1. PROCESSING OF URANIUM-METAL-CONTAINING FUEL ELEMENTS

    Science.gov (United States)

    Moore, R.H.

    1962-10-01

    A process is given for recovering uranium from neutronbombarded uranium- aluminum alloys. The alloy is dissolved in an aluminum halide--alkali metal halide mixture in which the halide is a mixture of chloride and bromide, the aluminum halide is present in about stoichiometric quantity as to uranium and fission products and the alkali metal halide in a predominant quantity; the uranium- and electropositive fission-products-containing salt phase is separated from the electronegative-containing metal phase; more aluminum halide is added to the salt phase to obtain equimolarity as to the alkali metal halide; adding an excess of aluminum metal whereby uranium metal is formed and alloyed with the excess aluminum; and separating the uranium-aluminum alloy from the fission- productscontaining salt phase. (AEC)

  2. Metal thin film growth on multimetallic surfaces: From quaternary metallic glass to binary crystal

    Energy Technology Data Exchange (ETDEWEB)

    Jing, Dapeng [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    The work presented in this thesis mainly focuses on the nucleation and growth of metal thin films on multimetallic surfaces. First, we have investigated the Ag film growth on a bulk metallic glass surface. Next, we have examined the coarsening and decay of bilayer Ag islands on NiAl(110) surface. Third, we have investigated the Ag film growth on NiAl(110) surface using low-energy electron diffraction (LEED). At last, we have reported our investigation on the epitaxial growth of Ni on NiAl(110) surface. Some general conclusions can be drawn as follows. First, Ag, a bulk-crystalline material, initially forms a disordered wetting layer up to 4-5 monolayers on Zr-Ni-Cu-Al metallic glass. Above this coverage, crystalline 3D clusters grow, in parallel with the flatter regions. The cluster density increases with decreasing temperature, indicating that the conditions of island nucleation are far-from-equilibrium. Within a simple model where clusters nucleate whenever two mobile Ag adatoms meet, the temperature-dependence of cluster density yields a (reasonable) upper limit for the value of the Ag diffusion barrier on top of the Ag wetting layer of 0.32 eV. Overall, this prototypical study suggests that it is possible to grow films of a bulk-crystalline metal that adopt the amorphous character of a glassy metal substrate, if film thickness is sufficiently low. Next, the first study of coarsening and decay of bilayer islands has been presented. The system was Ag on NiAl(110) in the temperature range from 185 K to 250 K. The coarsening behavior, has some similarities to that seen in the Ag(110) homoepitaxial system studied by Morgenstern and co-workers. At 185 K and 205 K, coarsening of Ag islands follows a Smoluchowski ripening pathway. At 205 K and 250 K, the terrace diffusion limited Ostwald ripening dominants. The experimental observed temperature for the transition from SR to OR is 205 K. The SR exhibits anisotropic island diffusion and the OR exhibits 1D decay of island

  3. The Study of Quantum Interference in Metallic Photonic Crystals Doped with Four-Level Quantum Dots

    Directory of Open Access Journals (Sweden)

    Hatef Ali

    2010-01-01

    Full Text Available Abstract In this work, the absorption coefficient of a metallic photonic crystal doped with nanoparticles has been obtained using numerical simulation techniques. The effects of quantum interference and the concentration of doped particles on the absorption coefficient of the system have been investigated. The nanoparticles have been considered as semiconductor quantum dots which behave as a four-level quantum system and are driven by a single coherent laser field. The results show that changing the position of the photonic band gap about the resonant energy of the two lower levels directly affects the decay rate, and the system can be switched between transparent and opaque states if the probe laser field is tuned to the resonance frequency. These results provide an application for metallic nanostructures in the fabrication of new optical switches and photonic devices.

  4. Crystallization, optimization and preliminary X-ray characterization of a metal-dependent PI-PLC from Streptomyces antibioticus

    International Nuclear Information System (INIS)

    Jackson, Michael R.; Selby, Thomas L.

    2012-01-01

    Crystallization and diffraction analysis of a Ca 2+ -dependent PI-PLC from Streptomyces is reported. Optimization of crystals was completed using a drop-pinning technique and heavy-atom soaks to achieve high-quality diffraction to 1.23 Å. A recombinant metal-dependent phosphatidylinositol-specific phospholipase C (PI-PLC) from Streptomyces antibioticus has been crystallized by the hanging-drop method with and without heavy metals. The native crystals belonged to the orthorhombic space group P222, with unit-cell parameters a = 41.26, b = 51.86, c = 154.78 Å. The X-ray diffraction results showed significant differences in the crystal quality of samples soaked with heavy atoms. Additionally, drop pinning, which increases the surface area of the drops, was also used to improve crystal growth and quality. The combination of heavy-metal soaks and drop pinning was found to be critical for producing high-quality crystals that diffracted to 1.23 Å resolution

  5. Thin film pc-Si by aluminium induced crystallization on metallic substrate

    Directory of Open Access Journals (Sweden)

    Cayron C.

    2013-04-01

    Full Text Available Thin film polycrystalline silicon (pc-Si on flexible metallic substrates is promising for low cost production of photovoltaic solar cells. One of the attractive methods to produce pc-Si solar cells consists in thickening a large-grained seed layer by epitaxy. In this work, the deposited seed layer is made by aluminium induced crystallization (AIC of an amorphous silicon (a-Si thin film on metallic substrates (Ni/Fe alloy initially coated with a tantalum nitride (TaN conductive diffusion barrier layer. Effect of the thermal budget on the AIC grown pc-Si seed layer was investigated in order to optimize the process (i.e. the quality of the pc-Si thin film. Structural and optical characterizations were carried out using optical microscopy, μ-Raman and Electron Backscatter Diffraction (EBSD. At optimal thermal annealing conditions, the continuous AIC grown pc-Si thin film showed an average grain size around 15 μm. The grains were preferably (001 oriented which is favorable for its epitaxial thickening. This work proves the feasibility of the AIC method to grow large grains pc-Si seed layer on TaN coated metal substrates. These results are, in terms of grains size, the finest obtained by AIC on metallic substrates.

  6. Plasmonic excitations on metallic nanowires embedded in silica photonic crystal fibers

    International Nuclear Information System (INIS)

    Prill Sempere, Luis

    2010-01-01

    This thesis describes the theoretical and experimental investigation of metal-filled photonic crystal fibers (PCFs) and their fabrication. The thesis explains how to overcome the obstacles when infiltrating molten metals into sub-micron holes in fused silica (SiO 2 ) PCF. The optical properties of such filled fibers are theoretically and experimentally investigated, focusing on the coupling between the core mode of the fibers and the surface plasmon polaritons (SPPs) on the metal wires. The thesis introduces the ideas, physical challenges and results of two new filling techniques: the pressure cell technique and the splicing technique. These techniques make it possible for the first time to fill different fiber structures with sub-micron sized holes, such as PCFs and single-hole capillaries, with different metals like gold (Au) and silver (Ag). Samples with hole diameters between 120 nm and 20 μm and aspect ratios as high as 75000 have been realized. Theoretical simulations and models have been developed in order to understand the optical behavior of these novel structures. The light guided in the core of the filled PCF structure will couple to SPP modes on the wires. Several measurements have been performed to determine the resonance wavelengths and losses of such filled PCF structures. Also, different phenomena such as the shift of the resonance position with the wire diameter or pitch and the polarization dependence of SPP in polarization maintaining (PM)-PCF have been investigated. The fabrication of free standing metal arrays was another focus of this work. The critical question was how to remove the surrounding SiO 2 from the metal wires. Two different approaches have been tried: etching of the SiO 2 and cleaving the PCF. (orig.)

  7. Plasmonic excitations on metallic nanowires embedded in silica photonic crystal fibers

    Energy Technology Data Exchange (ETDEWEB)

    Prill Sempere, Luis

    2010-06-17

    This thesis describes the theoretical and experimental investigation of metal-filled photonic crystal fibers (PCFs) and their fabrication. The thesis explains how to overcome the obstacles when infiltrating molten metals into sub-micron holes in fused silica (SiO{sub 2}) PCF. The optical properties of such filled fibers are theoretically and experimentally investigated, focusing on the coupling between the core mode of the fibers and the surface plasmon polaritons (SPPs) on the metal wires. The thesis introduces the ideas, physical challenges and results of two new filling techniques: the pressure cell technique and the splicing technique. These techniques make it possible for the first time to fill different fiber structures with sub-micron sized holes, such as PCFs and single-hole capillaries, with different metals like gold (Au) and silver (Ag). Samples with hole diameters between 120 nm and 20 {mu}m and aspect ratios as high as 75000 have been realized. Theoretical simulations and models have been developed in order to understand the optical behavior of these novel structures. The light guided in the core of the filled PCF structure will couple to SPP modes on the wires. Several measurements have been performed to determine the resonance wavelengths and losses of such filled PCF structures. Also, different phenomena such as the shift of the resonance position with the wire diameter or pitch and the polarization dependence of SPP in polarization maintaining (PM)-PCF have been investigated. The fabrication of free standing metal arrays was another focus of this work. The critical question was how to remove the surrounding SiO{sub 2} from the metal wires. Two different approaches have been tried: etching of the SiO{sub 2} and cleaving the PCF. (orig.)

  8. Investigation of a metallic photonic crystal high power microwave mode converter

    Directory of Open Access Journals (Sweden)

    Dong Wang

    2015-02-01

    Full Text Available It is demonstrated that an L band metallic photonic crystal TEM-TE11 mode converter is suitable for narrow band high power microwave application. The proposed mode converter is realized by partially filling metallic photonic crystals along azimuthal direction in a coaxial transmission line for phase-shifting. A three rows structure is designed and simulated by commercial software CST Microwave Studio. Simulation results show that its conversion efficiency is 99% at the center frequency 1.58 GHz. Over the frequency range of 1.56-1.625 GHz, the conversion efficiency exceeds 90 %, with a corresponding bandwidth of 4.1 %. This mode converter has a gigawatt level power handling capability which is suitable for narrow band high power microwave application. Using magnetically insulated transmission line oscillator(MILO as a high power microwave source, particle-in-cell simulation is carried out to test the performance of the mode converter. The expected TE11 mode microwave output is obtained and the MILO works well. Mode conversion performance of the converter is tested by far-field measurement method. And the experimental result confirms the validity of our design. Then, high power microwave experiment is carried out on a Marx-driven Blumlein water line pulsed power accelerator. Microwave frequency, radiated pattern and power are measured in the far-field region and the results agree well with simulation results. The experiment also reveals that no microwave breakdown or pulse shortening took place in the experimental setup.

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

    Science.gov (United States)

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

    2015-07-29

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

  10. A new spectral framework for crystal plasticity modeling of cubic and hexagonal polycrystalline metals

    Science.gov (United States)

    Knezevic, Marko

    Crystal plasticity physics-based constitutive theories are used in understanding and predicting the evolution of the underlying microstructure and the concomitant anisotropic stress-strain response in polycrystalline metals subjected to finite plastic strains. A new scheme for efficient crystal plasticity computations for both cubic and hexagonal polycrystalline metals subjected to arbitrary deformation modes has been developed in this thesis. This new computational scheme involves building material databases comprised of spectral coefficients. These spectral coefficients are computed using discrete Fourier transforms (DFTs) and allow for compact representation and fast retrieval of crystal plasticity solutions for a crystal of any orientation subjected to any deformation mode. The novel approach is able to speed up the conventional crystal plasticity computations by two orders of magnitude. Furthermore, mathematical procedures for delineation of property closures that identify the complete set of theoretically feasible combinations of macroscale effective properties has been developed for a broad set of mechanical properties. Subsequently, these constructs were used in microstructure design for identifying an optimal microstructure for selected performance criteria. And finally, hybrid processing recipes that transform a given initial microstructure into a member of the set of optimal microstructures that exhibit superior properties or performance characteristics have been described. Insights and tremendous potential of these novel materials knowledge systems are discussed and demonstrated through specific case-studies. The anisotropic stress-strain response measured in simple compression and simple tension tests in different sample directions on an annealed, strongly textured, AZ31 sheet has been studied. New insights into the mechanical response of this material were obtained by correlating the changes in the measured strain-hardening rates in the different

  11. Liquid-metal-cooled, curved-crystal monochromator for Advanced Photon Source bending-magnet beamline 1-BM

    International Nuclear Information System (INIS)

    Brauer, S.; Rodricks, B.; Assoufid, L.; Beno, M.A.; Knapp, G.S.

    1996-06-01

    The authors describe a horizontally focusing curved-crystal monochromator that invokes a 4-point bending scheme and a liquid-metal cooling bath. The device has been designed for dispersive diffraction and spectroscopy in the 5--20 keV range, with a predicted focal spot size of ≤ 100 microm. To minimize thermal distortions and thermal equilibration time, the 355 x 32 x 0.8 mm crystal will be nearly half submerged in a bath of Ga-In-Sn-Zn alloy. The liquid metal thermally couples the crystal to the water-cooled Cu frame, while permitting the required crystal bending. Calculated thermal profiles and anticipated focusing properties are discussed

  12. 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

  13. Metal halide-phosphorus halide-alkyl halide complexes: reaction with niobium and tantalum pentachlorides

    International Nuclear Information System (INIS)

    Puri, D.M.; Saini, M.S.

    1978-01-01

    The reactions of niobium and tantalum pentachlorides with trichlorophosphine and phenyldichlorophosphine have been studied in presence of alkylating agents such as sec-butyl chloride, iso-butyl chloride, tert-butyl chloride, tert-anylchloride, cyclohexyl chloride and triphenylmethyl chloride. Solid products have been isolated and characterised by vibrational spectroscopy as ionic complexes of alkyl- and/or aryl-phosphonium cations with hexachloroniobate and hexachlorotantalate anions. (author)

  14. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  15. Comprehensive three-dimensional analysis of surface plasmon polariton modes at uniaxial liquid crystal-metal interface.

    Science.gov (United States)

    Yen, Yin-Ray; Lee, Tsun-Hsiun; Wu, Zheng-Yu; Lin, Tsung-Hsien; Hung, Yu-Ju

    2015-12-14

    This paper describes the derivation of surface plasmon polariton modes associated with the generalized three-dimensional rotation of liquid crystal molecules on a metal film. The calculated dispersion relation was verified by coupling laser light into surface plasmon polariton waves in a one-dimensional grating device. The grating-assisted plasmon coupling condition was consistent with the formulated k(spp) value. This provides a general rule for the design of liquid-crystal tunable plasmonic devices.

  16. 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.

  17. 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.

  18. Electrical, thermal and magnetic behaviour of the metallic glass Fe80B20 in the crystallization process

    International Nuclear Information System (INIS)

    Isalgue, A.; Cusido, J.A.

    1986-01-01

    The thermal, electrical DC conductivity and magnetic properties have been studied in the crystallization process of the metallic glass Fe 80 B 20 (Metglass 2605) induced by heat treatment. The electrical and thermal conductivity, the coercive force and the remanence are strongly affected with the crystallization of the glass. Two steps can be dicerned from the magnetic measurements; the differences between the two steps are interpreted in the basis of the ''spherulite-type'', grown of Fe 3 B in the first crystallization step and the aparition of Fe 2 B in the second step. (author)

  19. Electrically tunable terahertz polarization converter based on overcoupled metal-isolator-metal metamaterials infiltrated with liquid crystals

    Science.gov (United States)

    Vasić, Borislav; Zografopoulos, Dimitrios C.; Isić, Goran; Beccherelli, Romeo; Gajić, Radoš

    2017-03-01

    Large birefringence and its electrical modulation by means of Fréedericksz transition makes nematic liquid crystals (LCs) a promising platform for tunable terahertz (THz) devices. The thickness of standard LC cells is in the order of the wavelength, requiring high driving voltages and allowing only a very slow modulation at THz frequencies. Here, we first present the concept of overcoupled metal-isolator-metal (MIM) cavities that allow for achieving simultaneously both very high phase difference between orthogonal electric field components and large reflectance. We then apply this concept to LC-infiltrated MIM-based metamaterials aiming at the design of electrically tunable THz polarization converters. The optimal operation in the overcoupled regime is provided by properly selecting the thickness of the LC cell. Instead of the LC natural birefringence, the polarization-dependent functionality stems from the optical anisotropy of ultrathin and deeply subwavelength MIM structures. The dynamic electro-optic control of the LC refractive index enables the spectral shift of the resonant mode and, consequently, the tuning of the phase difference between the two orthogonal field components. This tunability is further enhanced by the large confinement of the resonant electromagnetic fields within the MIM cavity. We show that for an appropriately chosen linearly polarized incident field, the polarization state of the reflected field at the target operation frequency can be continuously swept between the north and south pole of the Poincaré sphere. Using a rigorous Q-tensor model to simulate the LC electro-optic switching, we demonstrate that the enhanced light-matter interaction in the MIM resonant cavity allows the polarization converter to operate at driving voltages below 10 Volt and with millisecond switching times.

  20. Atomic diffusion and point defects in crystals. Final report. Progress report, April 1, 1956--August 31, 1972

    International Nuclear Information System (INIS)

    Slifkin, L.M.

    1972-01-01

    Studies were made to elucidate the fundamental mechanisms of point defect transport in simple metals and in crystals of the silver halides. Experiments performed include: (a) effect of composition on diffusion in Ag-Au alloys and Ag-Cd alloys; (b) effect of a vacancy flux on diffusion; (c) diffusion of solutes in aluminum and its dilute alloys; (d) dislocation effects in Cu 3 Au; (e) role of electronic structure and ionic radius in diffusion of cations in AgCl; (f) effects of ionic radius on halide impurity ion diffusion in AgCl and AgBr; (g) production of excess point defects in AgCl by deformation and by quenching; (h) the kinetics of the pinning of dislocations by point defects in AgBr crystals. (auth)

  1. 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

  2. Radiation heredity: unusual structural-phase states and metallic crystals properties

    International Nuclear Information System (INIS)

    Melikhov, V.D.; Skakov, M.K.

    1998-01-01

    Some experimental results allowing to judge about possibilities of unusual structural phase states formation during use irradiation and high temperature treatment of metallic crystals are considered. During study of pure (99.99 %) and especially pure (99.999 %) aluminium it was established, that after heating of preliminary irradiated samples in reactor, and non-irradiated ones up to temperatures above melting point (660 deg C), but not higher than 820 deg C, and cooling an microstructure and substructure of both irradiated and non-irradiated metals have been essentially distinguished with each other. If first of them had typically polycrystal construction, that second one was monocrystal with good developed initial substructure. Radiation effects have been preserved even in liquid metal if it was not overheated higher critical point, which is determined by phase transition from quasi-liquid state to true liquid one. During study of irradiation and postradiation treatment of structure and properties of intermetallides Fe 3 Al it was revealed, that in initially irradiated regulated alloys the radiation effect is preserving at heating of above 0.85 T melt (that essentially exceed order-disorder transition temperature) (550 deg C) in non-irradiated alloys of prolonged exposure and hardening. At that, irradiated-hardened alloy distinguishing from not hardened one by lattice parameter (on 0.1 %), by configuration of nearest surrounding of iron atoms in elementary cell, by regulating extent of different kind of atoms in lattice knocks. It was revealed, that at fluence (5·10 24 n·m 2 ) an appearance of new phases, distinguishing from matrix by component content. It was shown, that irradiation and post-radiation treatment are methods for creation unusual structural-phase states and attach to metals and alloys new properties

  3. Crystal structure of the mixed-metal thiophosphate Nb1.18V0.82PS10

    Directory of Open Access Journals (Sweden)

    Joobin Sun

    2015-03-01

    Full Text Available The mixed-metal thiophosphate, Nb1.18V0.82PS10 (niobium vanadium phosphorus decasulfide, has been prepared though solid state reactions using an alkali-metal halide flux. The title compound is isostructural with two-dimensional Nb2PS10. [M2S12] (M = Nb or V dimers built up from two bicapped trigonal prisms and tetrahedral [PS4] units share sulfur atoms to construct 1∞[M2PS10] chains along the a axis. These chains are linked through the disulfide bonds between [PS4] units in adjacent chains to form layers parallel to the ab plane. These layers then stack on top of each other to complete the three-dimensional structure with van der Waals gaps. The M sites are occupied by 59% of Nb and 41% of V and the average M—S and M—M distances in the title compound are in between those of V2PS10 and Nb2PS10. The classical charge balance of the title compound can be represented by [(Nb/V4+]2[P5+][S2−]3[S−]7.

  4. Features of bicrystal growth during the directional crystallization of metal melts

    Energy Technology Data Exchange (ETDEWEB)

    Gubernatorov, V. V.; Sycheva, T. S., E-mail: sych@imp.uran.ru; Gundyrev, V. M.; Akshentsev, Yu. N. [Russian Academy of Sciences, M.N. Mikheev Institute of Metal Physics, Ural Branch (Russian Federation)

    2017-03-15

    The factors responsible for the formation of different configurations of boundaries between adjacent crystallites during their growth from melt by Bridgman and Czochralski methods have been considered by an of example Fe–20 wt % Ga alloy and Ni bicrystals. It is found that the configuration of intercrystallite boundary is related to the features of crystallite growth, caused by the strained state of intercrystallite and interphase (crystal–melt) boundaries, the difference in the linear thermal expansion coefficients of the crystallite boundaries and bulk, and the shape (geometry) of the bicrystal cross section. It is suggested that the strained state of boundaries and the formation of substructure in crystallites during directional crystallization from metal melt are significantly affected by their deformation under the melt weight.

  5. Computational Screening of Mixed Metal Halide Ammines

    DEFF Research Database (Denmark)

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

    selected by a Genetic Algorithm (GA), relying on biological principles of natural selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, e.g. stability, release temperature and storage capacity. The search space includes all alkaline, alkaline earth, 3d...

  6. Phase-resolved pulse propagation through metallic photonic crystal slabs: plasmonic slow light

    Science.gov (United States)

    Schönhardt, Anja; Nau, Dietmar; Bauer, Christina; Christ, André; Gräbeldinger, Hedi; Giessen, Harald

    2017-03-01

    We characterized the electromagnetic field of ultra-short laser pulses after propagation through metallic photonic crystal structures featuring photonic and plasmonic resonances. The complete pulse information, i.e. the envelope and phase of the electromagnetic field, was measured using the technique of cross-correlation frequency resolved optical gating. In good agreement, measurements and scattering matrix simulations show a dispersive behaviour of the spectral phase at the position of the resonances. Asymmetric Fano-type resonances go along with asymmetric phase characteristics. Furthermore, the spectral phase is used to calculate the dispersion of the sample and possible applications in dispersion compensation are investigated. Group refractive indices of 700 and 70 and group delay dispersion values of 90 000 fs2 and 5000 fs2 are achieved in transverse electric and transverse magnetic polarization, respectively. The behaviour of extinction and spectral phase can be understood from an intuitive model using the complex transmission amplitude. An associated depiction in the complex plane is a useful approach in this context. This method promises to be valuable also in photonic crystal and filter design, for example, with regards to the symmetrization of the resonances. This article is part of the themed issue 'New horizons for nanophotonics'.

  7. Synthesis and Crystal Structures of Two Metal Complexes Incorporating Malonate and Organodiamine Ligands

    International Nuclear Information System (INIS)

    Zhang, Quan Zheng; Yang, Wen Bin; Chen, Shu Mei; Lu, Can Zhong

    2005-01-01

    In the present work we report the synthesis and X-ray crystal structures of two new malonato complexes incorporating organodiamine ligands: [Ni(phen)(mal)(H_2O)_2]·3H_2O (H_2mal = malonic acid, phen = 1,10-phenanthroline) and [Zn(bpy)(H_2O)]_2[Zn(bpy)(mal)(H_2O)_2]_2(NO_3)_4·4H_2O (bpy = 2,2'-bipyridine). Investigation on novel organic-inorganic hybrid framework assemblies represents one of the most active areas of material science and chemical research. Major advances have been made in these materials due to their interesting properties and potential in various applications, e. g., electrical conductivity, magnetism, host-guest chemistry, ion exchange, catalysis, nonlinear optics, etc. Moreover, discovery and design of such new materials with specific networks remain of a particularly important and active subject in the field of supramolecuar chemistry and crystal engineering. A variety of complexes with interesting compositions and topologies have been prepared through taking certain factors into account, such as the coordination nature of the metal ion and the shape, functionality, flexibility, and symmetry of organic ligand. Recently, some dicarboxylate ligands, such as oxalate, malonate, and terephthalate, have been widely used in the construction of these interesting structures

  8. An unsymmetrical porphyrin and its metal complexes: synthesis, spectroscopy, thermal analysis and liquid crystal properties

    Directory of Open Access Journals (Sweden)

    CHANGFU ZHUANG

    2009-09-01

    Full Text Available The synthesis and characterization of a new unsymmetrical porphyrin liquid crystal, 5-(4-stearoyloxyphenylphenyl-10,15,20-triphenylporphyrin (SPTPPH2 and its transition metal complexes (SPTPPM, M(II = Zn, Fe, Co, Ni, Cu or Mn are reported. Their structure and properties were studied by elemental analysis, and UV–Vis, IR, mass and 1H-HMR spectroscopy. Their luminescent properties were studied by excitation and emission spectroscopy. The quantum yields of the S1 ® S0 fluorescence were measured at room temperature. According to thermal studies, the complexes have a higher thermal stability (no decomposition until 200 °C. Differential scanning calorimetry (DSC data and an optical textural photograph, obtained using a polarizing microscope (POM, indicate that the porphyrin ligand had liquid crystalline character and that it exhibited more than one mesophase and a low-lying phase transition temperature, with transition temperatures of 19.3 and 79.4 °C; the temperature range of the liquid crystal (LC phase of the ligand was 70.1 °C.

  9. Glass-Forming Ability and Early Crystallization Kinetics of Novel Cu-Zr-Al-Co Bulk Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Xiaoliang Han

    2016-09-01

    Full Text Available In recent years, CuZr-based bulk metallic glass (BMG composites ductilized by a shape memory B2 CuZr phase have attracted great attention owing to their outstanding mechanical properties. However, the B2 CuZr phase for most CuZr-based glass-forming compositions is only stable at very high temperatures, leading to the uncontrollable formation of B2 crystals during quenching. In this work, by introducing Co (i.e., 4, 5, and 6 at. % and 10 at. % Al into CuZr-based alloys, the relatively good glass-forming ability (GFA of CuZr-based alloys still can be achieved. Meanwhile, the B2 phase can be successfully stabilized to lower temperatures than the final temperatures of crystallization upon heating CuZr-based BMGs. Unlike previous reported CuZr-based BMGs, the primary crystallization products upon heating are mainly B2 CuZr crystals but not CuZr2 and Cu10Zr7 crystals. Furthermore, the primary precipitates during solidification are still dominated by B2 crystals, whose percolation threshold is detected to lie between 10 ± 2 vol. % and 31 ± 2 vol. %. The crystallization kinetics underlying the precipitation of B2 crystals was also investigated. Our results show that the present glass-forming composites are promising candidates for the fabrication of ductile CuZr-based BMG composites.

  10. Crystallization of Pd40CU30Ni10P20 bulk metallic glass with and without pressure

    DEFF Research Database (Denmark)

    Yang, B.; Jiang, Jianzhong; Zhuang, Yanxin

    2007-01-01

    The glass-transition behavior of Pd40Cu30Ni10P20 bulk metallic glass was investigated by differential scanning calorimetry (DSC) and X-ray powder diffraction (XRD). The effect of pressure on the crystallization behavior of Pd40Cu30Ni10P20 bulk glass was studied by in situ high-pressure and high...

  11. Hot working alkali halides for laser window applications

    International Nuclear Information System (INIS)

    Koepke, B.G.; Anderson, R.H.; Stokes, R.J.

    1975-01-01

    The techniques used to hot work alkali halide crystals into laser window blanks are reviewed. From the point of view of high power laser window applications one of the materials with a high figure of merit is KCl. Thus the materials examined are KCl and alloys of KCl-KBr containing 5 mole percent KBr. The fabrication techniques include conventional and constrained press forging, isostatic press forging and hot rolling. Optical properties are paramount to the ultimate usefulness of these materials. Results on the optical properties of the hot worked material are included together with mechanical properties and microstructural data

  12. Genesis, challenges and opportunities for colloidal lead halide perovskite nanocrystals

    Science.gov (United States)

    Akkerman, Quinten A.; Rainò, Gabriele; Kovalenko, Maksym V.; Manna, Liberato

    2018-05-01

    Lead halide perovskites (LHPs) in the form of nanometre-sized colloidal crystals, or nanocrystals (NCs), have attracted the attention of diverse materials scientists due to their unique optical versatility, high photoluminescence quantum yields and facile synthesis. LHP NCs have a `soft' and predominantly ionic lattice, and their optical and electronic properties are highly tolerant to structural defects and surface states. Therefore, they cannot be approached with the same experimental mindset and theoretical framework as conventional semiconductor NCs. In this Review, we discuss LHP NCs historical and current research pursuits, challenges in applications, and the related present and future mitigation strategies explored.

  13. Ultrasound-induced crystallization around the glass transition temperature for Pd40Ni40P20 metallic glass

    International Nuclear Information System (INIS)

    Ichitsubo, Tetsu; Matsubara, Eiichiro; Kai, Satoshi; Hirao, Masahiko

    2004-01-01

    We have found that crystallization of a Pd 40 Ni 40 P 20 bulk metallic glass is accelerated in the vicinity of the glass transition temperature T g when it is subjected to sub/low-MHz frequency ultrasonic vibration. Resonance frequencies and internal frictions have been measured with the electromagnetic acoustic resonance (EMAR) technique. In the initial heating process of an as-cast glassy sample, the resonance frequencies jump up just above T g under ultrasonic excitation, which is attributed to nano-crystallization that is confirmed by the X-ray diffraction profile. However, such a notable change is not observed without ultrasonic vibration. The irregular Λ-shaped internal-friction peaks are also observed prior to the abrupt crystallization. This rapid crystallization is considered to be caused by a stochastic resonance, in which the jump frequency of atoms matches the frequency of the interatomic-potential change by the ultrasonic vibration

  14. The role of halide ions on the electrochemical behaviour of iron in alkali solutions

    Science.gov (United States)

    Begum, S. Nathira; Muralidharan, V. S.; Basha, C. Ahmed

    2008-02-01

    Active dissolution and passivation of transition metals in alkali solutions is of technological importance in batteries. The performance of alkaline batteries is decided by the presence of halides as they influence passivation. Cyclic voltammetric studies were carried out on iron in different sodium hydroxide solutions in presence of halides. In alkali solutions iron formed hydroxo complexes and their polymers in the interfacial diffusion layer. With progress of time they formed a cation selective layer. The diffusion layer turned into bipolar ion selective layer consisted of halides, a selective inner sublayer to the metal side and cation selective outer layer to the solution side. At very high anodic potentials, dehydration and deprotonation led to the conversion of salt layer into an oxide.

  15. Channel Constrained Metalization Patterning of Reflective Backplane Electrodes for Liquid Crystal-on-Silicon Displays

    National Research Council Canada - National Science Library

    Hermanns, Anno

    1997-01-01

    Channel Constrained Metalization (CCM), which employs photoresist patterning to confine electroless metal deposition to selected regions, is an inexpensive alternative to metal sputtering or evaporation...

  16. 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)

  17. Crystal Growth Technology

    Science.gov (United States)

    Scheel, Hans J.; Fukuda, Tsuguo

    2004-06-01

    This volume deals with the technologies of crystal fabrication, of crystal machining, and of epilayer production and is the first book on industrial and scientific aspects of crystal and layer production. The major industrial crystals are treated: Si, GaAs, GaP, InP, CdTe, sapphire, oxide and halide scintillator crystals, crystals for optical, piezoelectric and microwave applications and more. Contains 29 contributions from leading crystal technologists covering the following topics: General aspects of crystal growth technology Silicon Compound semiconductors Oxides and halides Crystal machining Epitaxy and layer deposition Scientific and technological problems of production and machining of industrial crystals are discussed by top experts, most of them from the major growth industries and crystal growth centers. In addition, it will be useful for the users of crystals, for teachers and graduate students in materials sciences, in electronic and other functional materials, chemical and metallurgical engineering, micro-and optoelectronics including nanotechnology, mechanical engineering and precision-machining, microtechnology, and in solid-state sciences.

  18. Quantitative analysis of thermal diffuse X-ray scattering on single crystals. Communication 2. FCC metals

    International Nuclear Information System (INIS)

    Najsh, V.E.; Novoselova, T.V.; Sagaradze, I.V.; Kvyatkovskij, B.E.; Fedorov, V.I.; Chernenkov, Yu.P.

    1994-01-01

    With the use of X-ray diffractometer a study was made into the intensity of diffuse scattering in Ni crystals with FCC lattice. Earlier accomplished quantitative analysis for BCC crystals was extended to FCC lattices. Comparative evaluation was made for cooperative thermal oscillation patterns and corresponding diffuse scattering in crystals of various structures. Measurements on FCC crystals were carried out at room temperature using AgK a lpha-radiation in 96 points of Ni crystal. 8 refs., 4 figs

  19. Investigation of crystallization kinetics and deformation behavior in supercooled liquid region of CuZr-based bulk metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ke; Fan, Xinhui; Li, Bing; Li, Yanhong; Wang, Xin; Xu, Xuanxuan [Xi' an Technological Univ. (China). School of Material and Chemical Engineering

    2017-08-15

    In this paper, a systematic study of crystallization kinetics and deformation behavior is presented for (Cu{sub 50}Zr{sub 50}){sub 94}Al{sub 6} bulk metallic glass in the supercooled liquid region. Crystallization results showed that the activation energy for (Cu{sub 50}Zr{sub 50}){sub 94}Al{sub 6} was calculated using the Arrhenius equation in isothermal mode and the Kissinger-Akahira-Sunose method in non-isothermal mode. The activation energy was quite high compared with other bulk metallic glasses. Based on isothermal transformation kinetics described by the Johson-Mehl-Avrami model, the average Avrami exponent of about 3.05 implies a mainly diffusion controlled three-dimensional growth with an increasing nucleation rate during the crystallization. For warm deformation, the results showed that deformation behavior, composed of homogeneous and inhomogeneous deformation, is strongly dependent on strain rate and temperature. The homogeneous deformation transformed from non-Newtonian flow to Newtonian flow with a decrease in strain rate and an increase in temperature. It was found that the crystallization during high temperature deformation is induced by heating. The appropriate working temperature/strain rate combination for the alloy forming, without in-situ crystallization, was deduced by constructing an empirical deformation map. The optimum process condition for (Cu{sub 50}Zr{sub 50}){sub 94}Al{sub 6} can be expressed as T∝733 K and ∝ ε 10{sup -3} s{sup -1}.

  20. Applications of synchrotron microradiography in materials science-in situ visualization of the growth of metallic alloy crystals

    International Nuclear Information System (INIS)

    Wang Tongmin; Zhu Jing; Cao Fei; Wang Kun; Bao Yongming; Xie Honglan; Huang Wanxia

    2012-01-01

    Metals and their alloys are an important type of structural and functional material and have been widely used in the aerospace, automobile, shipbuilding and other industries. The macro-properties of metallic alloys actually depend on their microstructures. The evolution of their microstructures generally involves a dynamic process of crystal growth on the scale of micrometers. The crystal growth of these alloys is still a puzzle to us due to their opacity. Conventional metallography techniques are limited by the high temperature of the phase changes so it is not possible to perform in situ observation of the evolving crystal morphology. The in situ visualization of the crystal growth has now become possible with the application of synchrotron radiation imaging techniques, which are just the right key to unravel the mystery mentioned above. In this paper, the development and current state-of-the-art of in situ crystal growth visualization are reviewed. Some typical application examples are presented, and promising applications in materials science are further expected. (authors)

  1. Crystal Structures of GaN Nanodots by Nitrogen Plasma Treatment on Ga Metal Droplets

    Directory of Open Access Journals (Sweden)

    Yang-Zhe Su

    2018-06-01

    Full Text Available Gallium nitride (GaN is one of important functional materials for optoelectronics and electronics. GaN exists both in equilibrium wurtzite and metastable zinc-blende structural phases. The zinc-blende GaN has superior electronic and optical properties over wurtzite one. In this report, GaN nanodots can be fabricated by Ga metal droplets in ultra-high vacuum and then nitridation by nitrogen plasma. The size, shape, density, and crystal structure of GaN nanodots can be characterized by transmission electron microscopy. The growth parameters, such as pre-nitridation treatment on Si surface, substrate temperature, and plasma nitridation time, affect the crystal structure of GaN nanodots. Higher thermal energy could provide the driving force for the phase transformation of GaN nanodots from zinc-blende to wurtzite structures. Metastable zinc-blende GaN nanodots can be synthesized by the surface modification of Si (111 by nitrogen plasma, i.e., the pre-nitridation treatment is done at a lower growth temperature. This is because the pre-nitridation process can provide a nitrogen-terminal surface for the following Ga droplet formation and a nitrogen-rich condition for the formation of GaN nanodots during droplet epitaxy. The pre-nitridation of Si substrates, the formation of a thin SiNx layer, could inhibit the phase transformation of GaN nanodots from zinc-blende to wurtzite phases. The pre-nitridation treatment also affects the dot size, density, and surface roughness of samples.

  2. Single-crystal study of the charge density wave metal LuNiC2

    Science.gov (United States)

    Steiner, S.; Michor, H.; Sologub, O.; Hinterleitner, B.; Höfenstock, F.; Waas, M.; Bauer, E.; Stöger, B.; Babizhetskyy, V.; Levytskyy, V.; Kotur, B.

    2018-05-01

    We report on single-crystal growth, single-crystal x-ray diffraction, physical properties, and density functional theory (DFT) electronic structure as well as Fermi surface calculations for two ternary carbides, LuCoC2 and LuNiC2. Electrical resistivity measurements reveal for LuNiC2 a charge density wave (CDW) transition at TCDW≃450 K and, for T >TCDW , a significant anisotropy of the electrical resistivity, which is lowest along the orthorhombic a axis. The analysis of x-ray superstructure reflections suggest a commensurate CDW state with a Peierls-type distortion of the Ni atom periodicity along the orthorhombic a axis. DFT calculations based on the CDW modulated monoclinic structure model of LuNiC2 as compared to results of the orthorhombic parent type reveal the formation of a partial CDW gap at the Fermi level which reduces the electronic density of states from N (EF)=1.03 states/eV f.u. without CDW to N (EF)=0.46 states/eV f.u. in the CDW state. The corresponding bare DFT Sommerfeld value of the latter, γDFTCDW=0.90 mJ/mol K2, reaches reasonable agreement with the experimental value γ =0.83 (5 ) mJ/mol K2 of LuNiC2. LuCoC2 displays a simple metallic behavior with neither CDW ordering nor superconductivity above 0.4 K. Its experimental Sommerfeld coefficient, γ =5.9 (1) mJ/mol K2, is in realistic correspondence with the calculated, bare Sommerfeld coefficient, γDFT=3.82 mJ/mol K2, of orthorhombic LuCoC2.

  3. Crystal Structures of Apo and Metal-Bound Forms of the UreE Protein from Helicobacter pylori: Role of Multiple Metal Binding Sites

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Rong; Munger, Christine; Asinas, Abdalin; Benoit, Stephane L.; Miller, Erica; Matte, Allan; Maier, Robert J.; Cygler, Miroslaw (McGill); (Georgia); (Biotech Res.)

    2010-10-22

    The crystal structure of the urease maturation protein UreE from Helicobacter pylori has been determined in its apo form at 2.1 {angstrom} resolution, bound to Cu{sup 2+} at 2.7 {angstrom} resolution, and bound to Ni{sup 2+} at 3.1 {angstrom} resolution. Apo UreE forms dimers, while the metal-bound enzymes are arranged as tetramers that consist of a dimer of dimers associated around the metal ion through coordination by His102 residues from each subunit of the tetramer. Comparison of independent subunits from different crystal forms indicates changes in the relative arrangement of the N- and C-terminal domains in response to metal binding. The improved ability of engineered versions of UreE containing hexahistidine sequences at either the N-terminal or C-terminal end to provide Ni{sup 2+} for the final metal sink (urease) is eliminated in the H102A version. Therefore, the ability of the improved Ni{sup 2+}-binding versions to deliver more nickel is likely an effect of an increased local concentration of metal ions that can rapidly replenish transferred ions bound to His102.

  4. Crystal structure and properties of tetragonal EuAg4In8 grown by metal flux technique

    International Nuclear Information System (INIS)

    Subbarao, Udumula; Sarkar, Sumanta; Peter, Sebastian C.

    2015-01-01

    The compound EuAg 4 In 8 has been obtained as single crystals in high yield from reactions run in liquid indium. X-ray diffraction on single crystals suggests that EuAg 4 In 8 crystallizes in the CeMn 4 Al 8 structure type, tetragonal space group I4/mmm with lattice constants a=b=9.7937(2) Å and c=5.7492(2) Å. Crystal structure of EuAg 4 In 8 is composed of pseudo Frank–Kasper cages occupied by one europium atom in each ring, which are shared through the corner along the ab plane resulting in a three dimensional network. The magnetic susceptibility of EuAg 4 In 8 was measured in the temperature range 2–300 K, which obeyed Curie–Weiss law above 50 K. Magnetic moment value calculated from the fitting indicates the presence of divalent europium, which was confirmed by X-ray absorption near edge spectroscopy. Electrical resistivity measurements suggest that EuAg 4 In 8 is metallic in nature with a probable Fermi liquid behavior at low temperature. - Graphical abstract: The tetragonal EuAg 4 In 8 has been grown as single crystals from reactions run in liquid indium. Magnetic and XANES measurements suggest divalent nature of Eu and resistivity measurements suggest metallic nature. - Highlights: • EuAg 4 In 8 phase having tetragonal phase is grown by metal flux technique. • Magnetic and XANES measurements exhibit divalent nature of Eu in EuAg 4 In 8 . • Resistivity measurement suggests metallic nature and probable Fermi liquid behavior

  5. Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-12-01

    Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

  6. Facile construction of terpridine-based metallo-polymers in hydrogels, crystals and solutions directed by metal ions.

    Science.gov (United States)

    Li, Yajuan; Guo, Jiangbo; Dai, Bo; Geng, Lijun; Shen, Fengjuan; Zhang, Yajun; Yu, Xudong

    2018-07-01

    Driven by tunable metal-ligand interactions, a polydentate ligand TC containing terpyridine and carboxylic acid units was developed to construct metallo-polymers that showed multiple aggregation modes with controlled macroscopic properties. In the presence of different kind of Zn 2+ ions or NaOH, TC could form metallo-polymers via π-π stacking and metal-ligand interaction that further trapped water molecules, resulting in hydrogels and crystals. Moreover, these TC/Zn 2+ hydrogels could transform to soluble and fluorescent aggregates in the presence of NaOH due to the formation of binuclear metallo-polymers with enhanced ICT emission. The metal-ligand interactions tuned by different metal salts in gels, crystals, and sols were also studied and illustrated in detail, it was also proved that water was an essential linker for constructing Na + -based metallo-polymers from the TC/NaOH crystal data. This work demonstrated the engineered coordination pathways in generating controllable hydrogels and metallo-polymers for the first time, which led to novel approach for facilely constructing a number of hydrogels with tailorable macroscopic properties. Copyright © 2018 Elsevier Inc. All rights reserved.

  7. Frequency-addressed tunable transmission in optically thin metallic nanohole arrays with dual-frequency liquid crystals

    International Nuclear Information System (INIS)

    Hao Qingzhen; Zhao Yanhui; Juluri, Bala Krishna; Kiraly, Brian; Huang, Tony Jun; Liou, Justin; Khoo, Iam Choon

    2011-01-01

    Frequency-addressed tunable transmission is demonstrated in optically thin metallic nanohole arrays embedded in dual-frequency liquid crystals (DFLCs). The optical properties of the composite system are characterized by the transmission spectra of the nanoholes, and a prominent transmission peak is shown to originate from the resonance of localized surface plasmons at the edges of the nanoholes. An ∼17 nm shift in the transmission peak is observed between the two alignment configurations of the liquid crystals. This DFLC-based active plasmonic system demonstrates excellent frequency-dependent switching behavior and could be useful in future nanophotonic applications.

  8. Study on the crystallization of the metal glass with the ferromagnetic resonance and transmission electron microscopy techniques

    International Nuclear Information System (INIS)

    Biasi, R.S. de; Rodrigues, R.W.D.; Pascual, R.; Pessoa, C.S.

    1983-01-01

    The crystallization of the metal glass METGLAS 2826A has been studied with the ferromagnetic resonance and electron transmission microscopy techniques. The first-derivative linewidth of the absorption curve was measured for several times of isothermal treatments at 375 0 C. After an initial decrease, attributed to stress relaxation, the linewidth increases linearly with the transformed fraction of the first crystallization phase. Comparison with the electron microscopy results shows that the ferromagnetic resonance technique is particularly useful for short and medium aging times. (Author) [pt

  9. Growth of Bulk Wide Bandgap Semiconductor Crystals and Their Potential Applications

    Science.gov (United States)

    Chen, Kuo-Tong; Shi, Detang; Morgan, S. H.; Collins, W. Eugene; Burger, Arnold

    1997-01-01

    Developments in bulk crystal growth research for electro-optical devices in the Center for Photonic Materials and Devices since its establishment have been reviewed. Purification processes and single crystal growth systems employing physical vapor transport and Bridgman methods were assembled and used to produce high purity and superior quality wide bandgap materials such as heavy metal halides and II-VI compound semiconductors. Comprehensive material characterization techniques have been employed to reveal the optical, electrical and thermodynamic properties of crystals, and the results were used to establish improved material processing procedures. Postgrowth treatments such as passivation, oxidation, chemical etching and metal contacting during the X-ray and gamma-ray device fabrication process have also been investigated and low noise threshold with improved energy resolution has been achieved.

  10. Thermoelectric material including a multiple transition metal-doped type I clathrate crystal structure

    Science.gov (United States)

    Yang, Jihui [Lakeshore, CA; Shi, Xun [Troy, MI; Bai, Shengqiang [Shanghai, CN; Zhang, Wenqing [Shanghai, CN; Chen, Lidong [Shanghai, CN; Yang, Jiong [Shanghai, CN

    2012-01-17

    A thermoelectric material includes a multiple transition metal-doped type I clathrate crystal structure having the formula A.sub.8TM.sub.y.sub.1.sup.1TM.sub.y.sub.2.sup.2 . . . TM.sub.y.sub.n.sup.nM.sub.zX.sub.46-y.sub.1.sub.-y.sub.2.sub.- . . . -y.sub.n.sub.-z. In the formula, A is selected from the group consisting of barium, strontium, and europium; X is selected from the group consisting of silicon, germanium, and tin; M is selected from the group consisting of aluminum, gallium, and indium; TM.sup.1, TM.sup.2, and TM.sup.n are independently selected from the group consisting of 3d, 4d, and 5d transition metals; and y.sub.1, y.sub.2, y.sub.n and Z are actual compositions of TM.sup.1, TM.sup.2, TM.sup.n, and M, respectively. The actual compositions are based upon nominal compositions derived from the following equation: z=8q.sub.A-|.DELTA.q.sub.1|y.sub.1-|.DELTA.q.sub.2|y.sub.2- . . . -|.DELTA.q.sub.n|y.sub.n, wherein q.sub.A is a charge state of A, and wherein .DELTA.q.sub.1, .DELTA.q.sub.2, .DELTA.q.sub.n are, respectively, the nominal charge state of the first, second, and n-th TM.

  11. 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

  12. A framework for analysing relationships between chemical composition and crystal structure in metal oxides

    International Nuclear Information System (INIS)

    Thomas, N.W.

    1991-01-01

    A computer program has been written to characterize the coordination polyhedra of metal cations in terms of their volumes and polyhedral elements, i.e. corners, edges and faces. The sharing of these corners, edges and faces between polyhedra is also quantitatively monitored. In order to develop the methodology, attention is focused on ternary oxides containing the Al 3+ ion, whose structures were retrieved from the Inorganic Crystal Structure Database (ICSD). This also permits an objective assessment of the applicability of Pauling's rules. The influence of ionic valence on the structures of these compounds is examined, by calculating electrostatic bond strengths. Although Pauling's second rule is not supported in detail, the calculation of oxygen-ion valence reveals a basic structural requirement, that the average calculated oxygen-ion valence in any ionic oxide structure is equal to 2. The analysis is further developed to define a general method for the prediction of novel chemical compositions likely to adopt a given desired structure. The polyhedral volumes of this structure are calculated, and use is made of standard ionic radii for cations in sixfold coordination. The electroneutrality principle is invoked to take valence considerations into account. This method can be used to guide the development of new compositions of ceramic materials with certain desirable physical properties. (orig.)

  13. Rapid, all-optical crystal orientation imaging of two-dimensional transition metal dichalcogenide monolayers

    International Nuclear Information System (INIS)

    David, Sabrina N.; Zhai, Yao; Zande, Arend M. van der; O'Brien, Kevin; Huang, Pinshane Y.; Chenet, Daniel A.; Hone, James C.; Zhang, Xiang; Yin, Xiaobo

    2015-01-01

    Two-dimensional (2D) atomic materials such as graphene and transition metal dichalcogenides (TMDCs) have attracted significant research and industrial interest for their electronic, optical, mechanical, and thermal properties. While large-area crystal growth techniques such as chemical vapor deposition have been demonstrated, the presence of grain boundaries and orientation of grains arising in such growths substantially affect the physical properties of the materials. There is currently no scalable characterization method for determining these boundaries and orientations over a large sample area. We here present a second-harmonic generation based microscopy technique for rapidly mapping grain orientations and boundaries of 2D TMDCs. We experimentally demonstrate the capability to map large samples to an angular resolution of ±1° with minimal sample preparation and without involved analysis. A direct comparison of the all-optical grain orientation maps against results obtained by diffraction-filtered dark-field transmission electron microscopy plus selected-area electron diffraction on identical TMDC samples is provided. This rapid and accurate tool should enable large-area characterization of TMDC samples for expedited studies of grain boundary effects and the efficient characterization of industrial-scale production techniques

  14. Kapitza conductance of metal single crystals by the second sound technique

    International Nuclear Information System (INIS)

    Wagner, F.; Kollarits, F.J.; Wilkes, K.E.; Yaqub, M.

    1975-01-01

    The Kapitza conductance h/sub K/ of high-purity single crystals of gallium, copper, lead, and tin, between 1.2 and 2 0 K, has been determined by an improved version of the second, sound method developed by Challis and Sherlock. By using a special mounting technique, strains in the samples were avoided on cooling. A comparison of the results with those given in the literature shows that our values of h/sub K/ are consistently higher than those obtained by using the steady-state method. By introducing different amounts of strain in a given sample its h/sub K/ was reduced by corresponding amounts. Thus, for a given metal, the entire range of reported steady-state values was covered. In the region of 1--2 0 K, strain not only reduces h/sub K/, but also increases the temperature dependence considerably. Although a reduction of h/sub K / with strain has been reported with the steady-state measurements, it is not accompanied by an increase in the temperature dependence. Possible reasons for this are discussed. Study of the superconductors lead and tin shows that the temperature exponent is nearly the same in the superconducting and normal states. The absolute value of h/sub K/ decreases in lead typically by 6 percent and increases in tin by 5 percent. (auth)

  15. Bioleaching of incineration fly ash by Aspergillus niger - precipitation of metallic salt crystals and morphological alteration of the fungus.

    Science.gov (United States)

    Xu, Tong-Jiang; Ramanathan, Thulasya; Ting, Yen-Peng

    2014-09-01

    This study examines the bioleaching of municipal solid waste incineration fly ash by Aspergillus niger , and its effect on the fungal morphology, the fate of the ash particles, and the precipitation of metallic salt crystals during bioleaching. The fungal morphology was significantly affected during one-step and two-step bioleaching; scanning electron microscopy revealed that bioleaching caused distortion of the fungal hyphae (with up to 10 μm hyphae diameter) and a swollen pellet structure. In the absence of the fly ash, the fungi showed a linear structure (with 2-4 μm hyphae diameter). Energy-dispersive X-ray spectroscopy and X-ray diffraction confirmed the precipitation of calcium oxalate hydrate crystals at the surface of hyphae in both one-step and two-step bioleaching. Calcium oxalate precipitation affects bioleaching via the weakening of the fly ash, thus facilitating the release of other tightly bound metals in the matrix.

  16. Particle size studies to reveal crystallization mechanisms of the metal organic framework HKUST-1 during sonochemical synthesis.

    Science.gov (United States)

    Armstrong, Mitchell R; Senthilnathan, Sethuraman; Balzer, Christopher J; Shan, Bohan; Chen, Liang; Mu, Bin

    2017-01-01

    Systematic studies of key operating parameters for the sonochemical synthesis of the metal organic framework (MOF) HKUST-1(also called CuBTC) were performed including reaction time, reactor volume, sonication amplitude, sonication tip size, solvent composition, and reactant concentrations analyzed through SEM particle size analysis. Trends in the particle size and size distributions show reproducible control of average particle sizes between 1 and 4μm. These results along with complementary studies in sonofragmentation and temperature control were conducted to compare these results to kinetic crystal growth models found in literature to develop a plausible hypothetical mechanism for ultrasound-assisted growth of metal-organic-frameworks composed of a competitive mechanism including constructive solid-on-solid (SOS) crystal growth and a deconstructive sonofragmentation. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Coupling between crystal structure and magnetism in transition-metal oxides

    Science.gov (United States)

    Barton, Phillip Thomas

    Transition-metal oxides exhibit a fascinating array of phenomena ranging from superconductivity to negative thermal expansion to catalysis. This dissertation focuses on magnetism, which is integral to engineering applications such as data storage, electric motors/generators, and transformers. The investigative approach follows structure-property relationships from materials science and draws on intuition from solid-state chemistry. The interplay between crystal structure and magnetic properties is studied experimentally in order to enhance the understanding of magnetostructural coupling mechanisms and provide insight into avenues for tuning behavior. A combination of diffraction and physical property measurements were used to study structural and magnetic phase transitions as a function of chemical composition, temperature, and magnetic field. The systems examined are of importance in Li-ion battery electrochemistry, condensed-matter physics, solid-state chemistry, and p-type transparent conducting oxides. The materials were prepared by solid-state reaction of powder reagents at high temperatures for periods lasting tens of hours. The first project discussed is of a solid solution between NiO, a correlated insulator, and LiNiO2, a layered battery cathode. Despite the deceptive structural and compositional simplicity of this system, a complete understanding of its complex magnetic properties has remained elusive. This study shows that nanoscale domains of chemical order form at intermediate compositions, creating interfaces between antiferromagnetism and ferrimagnetism that give rise to magnetic exchange bias. A simple model of the magnetism is presented along with a comprehensive phase diagram. The second set of investigations focus on the Ge-Co-O system where the spin-orbit coupling of Co(II) plays a significant role. GeCo2O 4 is reported to exhibit unusual magnetic behavior that arises from Ising spin in its spinel crystal structure. Studies by variable

  18. Plasmonic characterization of photo-induced silver nanoparticles extracted from silver halide based TEM film

    Energy Technology Data Exchange (ETDEWEB)

    Sudheer,, E-mail: sudheer@rrcat.gov.in; Tiwari, P.; Rai, V. N.; Srivastava, A. K. [Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced Technology Indore, Madhya Pradesh 452013 (India); Varshney, G. K. [Laser Bio-medical Applications & Instrumentation Division, Raja Ramanna Centre for Advanced Technology Indore, Madhya Pradesh 452013 (India)

    2016-05-23

    The plasmonic responses of silver nanoparticles extracted from silver halide based electron microscope film are investigated. Photo-reduction process is carried out to convert the silver halide grains into the metallic silver. The centrifuge technique is used for separating the silver nanoparticles from the residual solution. Morphological study performed by field emission scanning electron microscope (FESEM) shows that all the nanoparticles have an average diameter of ~120 nm with a high degree of mono dispersion in size. The localized surface plasmon resonance (LSPR) absorption peak at ~537 nm confirms the presence of large size silver nanoparticles.

  19. Aluminum Pitting Corrosion in Halide Media: A Quantum Model and Empirical Evidence

    Science.gov (United States)

    Lashgari, Mohsen; Kianpour, Effat; Mohammadi, Esmaeil

    2013-12-01

    The phenomenon of localized damage of aluminum oxide surface in the presence of halide anions was scrutinized at an atomistic level, through the cluster approach and density functional theory. The phenomenon was also investigated empirically through Tafel polarization plots and scanning electron microscopy. A distinct behavior witnessed in the fluoride medium was justified through the hard-soft acid-base principle. The atomistic investigations revealed the greatest potency for chloride entrance into the metal oxide lattice and rationalized to the severity of damage. The interaction of halide anions with the oxide surface causing some displacements on the position of Al atoms provides a mechanistic insight of the phenomenon.

  20. Ultraviolet optical absorption of alkali cyanides and alkali halide cyanides

    International Nuclear Information System (INIS)

    Souza Camargo Junior, S.A. de.

    1982-09-01

    The ultraviolet absorption spectra of alkali cyanide and mixed alkali halide cyanide crystals were measured at temperatures ranging from 300K down to 4.2K. A set of small absorption peaks was observed at energies near 6 eV and assigned to parity forbidden X 1 Σ + →a' 3 Σ + transitions of the CN - molecular ions. It was observed that the peak position depends on the alkali atom while the absorption cross section strongly depends on the halogen and on the CN - concentration of the mixed crystals. These effects are explained in terms of an interaction between the triplet molecular excitons and charge transfer excitons. The experimental data were fit with a coupling energy of a few meV. The coupling mechanism is discussed and it is found to be due to the overlap between the wave functions of the two excitations. (Author) [pt

  1. Influence of Substrate on Crystal Orientation of Large-Grained Si Thin Films Formed by Metal-Induced Crystallization

    Directory of Open Access Journals (Sweden)

    Kaoru Toko

    2015-01-01

    Full Text Available Producing large-grained polycrystalline Si (poly-Si film on glass substrates coated with conducting layers is essential for fabricating Si thin-film solar cells with high efficiency and low cost. We investigated how the choice of conducting underlayer affected the poly-Si layer formed on it by low-temperature (500°C Al-induced crystallization (AIC. The crystal orientation of the resulting poly-Si layer strongly depended on the underlayer material: (100 was preferred for Al-doped-ZnO (AZO and indium-tin-oxide (ITO; (111 was preferred for TiN. This result suggests Si heterogeneously nucleated on the underlayer. The average grain size of the poly-Si layer reached nearly 20 µm for the AZO and ITO samples and no less than 60 µm for the TiN sample. Thus, properly electing the underlayer material is essential in AIC and allows large-grained Si films to be formed at low temperatures with a set crystal orientation. These highly oriented Si layers with large grains appear promising for use as seed layers for Si light-absorption layers as well as for advanced functional materials.

  2. Radiation physics of non-metallic crystals. Volume III, No. 3. Radiatsionnaya fizika nemetallicheskikh kristallov. Tom III, Chast 3

    Energy Technology Data Exchange (ETDEWEB)

    Konozenko, I D [ed.

    1971-01-01

    Separate articles are presented on studies concerned with radiation phenomena in ionic crystals and dielectrics. Topics include energy losses and electron escape in monocrystals, non-stationary acoustic absorption in monocrystals, charge behavior in radioactive dielectrics, the effects of electron radiation on the electroconductivity of organic dielectrics, adsorption of polyatomic gases in adsorbents, catalysis and inhibition of solid inorganic salt radiolysis, and the formation of additive paramagnetic centers in gamma radiated salts of alkaline earth metals. 253 references.

  3. Novel Ammonium Metal Borohydrides

    DEFF Research Database (Denmark)

    Grinderslev, Jakob; Jepsen, Lars Haahr; Cerny, Radovan

    , it cannot store hydrogen reversibly. Recently, the first ammonium metal borohydride, NH4Ca(BH4)3 was published, which may be considered as substitution of K+ by NH4+ in KCa(BH4)3, due to the similar sizes of NH4+ and K+[1]. This compound successfully stabilizes NH4BH4. In the present work, a series of novel...... halide-free ammonium metal borohydrides is presented, which have the chemical compositions (NH4)xM(BH4)n+x. The ammonium metal borohydrides are synthesized by cryomilling of NH4BH4 – M(BH4)n (M = Li, Na, K, Mg, Sr, Y, Mn, La, Gd) in different ratios. A new range of ammonium metal borohydrides is formed......, and the crystal structures and thermal decompositions are investigated. Mixtures of NH4BH4 - NaBH4 do not react, while solid solutions, K1-x(NH4)xBH4, are formed for NH4BH4 - KBH4. For the other composites, novel ammonium metal borohydrides are formed. Several of these structures have been solved from high...

  4. Crystal phase-based epitaxial growth of hybrid noble metal nanostructures on 4H/fcc Au nanowires

    Science.gov (United States)

    Lu, Qipeng; Wang, An-Liang; Gong, Yue; Hao, Wei; Cheng, Hongfei; Chen, Junze; Li, Bing; Yang, Nailiang; Niu, Wenxin; Wang, Jie; Yu, Yifu; Zhang, Xiao; Chen, Ye; Fan, Zhanxi; Wu, Xue-Jun; Chen, Jinping; Luo, Jun; Li, Shuzhou; Gu, Lin; Zhang, Hua

    2018-03-01

    Crystal-phase engineering offers opportunities for the rational design and synthesis of noble metal nanomaterials with unusual crystal phases that normally do not exist in bulk materials. However, it remains a challenge to use these materials as seeds to construct heterometallic nanostructures with desired crystal phases and morphologies for promising applications such as catalysis. Here, we report a strategy for the synthesis of binary and ternary hybrid noble metal nanostructures. Our synthesized crystal-phase heterostructured 4H/fcc Au nanowires enable the epitaxial growth of Ru nanorods on the 4H phase and fcc-twin boundary in Au nanowires, resulting in hybrid Au-Ru nanowires. Moreover, the method can be extended to the epitaxial growth of Rh, Ru-Rh and Ru-Pt nanorods on the 4H/fcc Au nanowires to form unique hybrid nanowires. Importantly, the Au-Ru hybrid nanowires with tunable compositions exhibit excellent electrocatalytic performance towards the hydrogen evolution reaction in alkaline media.

  5. Crystal nucleation in metallic alloys using x-ray radiography and machine learning

    Science.gov (United States)

    Arteta, Carlos; Lempitsky, Victor

    2018-01-01

    The crystallization of solidifying Al-Cu alloys over a wide range of conditions was studied in situ by synchrotron x-ray radiography, and the data were analyzed using a computer vision algorithm trained using machine learning. The effect of cooling rate and solute concentration on nucleation undercooling, crystal formation rate, and crystal growth rate was measured automatically for thousands of separate crystals, which was impossible to achieve manually. Nucleation undercooling distributions confirmed the efficiency of extrinsic grain refiners and gave support to the widely assumed free growth model of heterogeneous nucleation. We show that crystallization occurred in temporal and spatial bursts associated with a solute-suppressed nucleation zone. PMID:29662954

  6. A Kirkwood-Buff derived force field for alkaline earth halide salts

    Science.gov (United States)

    Naleem, Nawavi; Bentenitis, Nikolaos; Smith, Paul E.

    2018-06-01

    The activity and function of many macromolecules in cellular environments are coupled with the binding of divalent ions such as calcium or magnesium. In principle, computer simulations can be used to understand the molecular level aspects of how many important macromolecules interact with ions. However, most of the force fields currently available often fail to accurately reproduce the properties of divalent ions in aqueous environments. Here we develop classical non-polarizable force fields for the aqueous alkaline earth metal halides (MX2), where M = Mg2+, Ca2+, Sr2+, Ba2+ and X = Cl-, Br-, I-, which can be used in bimolecular simulations and which are compatible with the Simple Point Charge/Extended (SPC/E) water model. The force field parameters are specifically developed to reproduce the experimental Kirkwood-Buff integrals for aqueous solutions and thereby the experimental activity derivatives, partial molar volumes, and excess coordination numbers. This ensures that a reasonable balance between ion-ion, ion-water, and water-water distributions is obtained. However, this requires a scaling of the cation to water oxygen interaction strength in order to accurately reproduce the integrals. The scaling factors developed for chloride salts are successfully transferable to the bromide and iodide salts. Use of these new models leads to reasonable diffusion constants and dielectric decrements. However, the performance of the models decreases with increasing salt concentration (>4m), and simulations of the pure crystals exhibited unstable behavior.

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

    Science.gov (United States)

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

    2017-12-27

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

  8. Synthesis, crystal structure, and magnetic properties of two-dimensional divalent metal glutarate/dipyridylamine coordination polymers, with a single crystal-to-single crystal transformation in the copper derivative

    International Nuclear Information System (INIS)

    Montney, Matthew R.; Supkowski, Ronald M.; Staples, Richard J.; LaDuca, Robert L.

    2009-01-01

    Hydrothermal reaction of divalent metal chlorides with glutaric acid and 4,4'-dipyridylamine (dpa) has afforded an isostructural family of coordination polymers with formulation [M(glu)(dpa)] n (M=Co (1), Ni (2), Cu (3); glu=glutarate). Square pyramidal coordination is seen in 1-3, with semi-ligation of a sixth donor to produce a '5+1' extended coordination sphere. Neighboring metal atoms are linked into 1D [M(glu)] n neutral chains through chelating/monodentate bridging glutarate moieties with a syn-anti binding mode, and semi-chelation of the pendant carboxylate oxygen. These chains further connect into 2D layers through dipodal dpa ligands. Neighboring layers stack into the pseudo 3D crystal structure of 1-3 through supramolecular hydrogen bonding between dpa amine units and the semi-chelated glutarate oxygen atoms. The variable temperature magnetic behavior of 1-3 was explored and modeled as infinite 1D Heisenberg chains. Notably, complex 3 undergoes a thermally induced single crystal-to-single crystal transformation between centric and acentric space groups, with a conformationally disordered unilayer structure at 293 K and an ordered bilayer structure at 173 K. All materials were further characterized via infrared spectroscopy and elemental and thermogravimetric analyses. - Graphical abstract: The coordination polymers [M(glu)(dpa)] n (M=Co (1), Ni (2), Cu (3); glu=glutarate, dpa=4,4'-dipyridylamine) exhibit 2D layer structures based on 1D [M(glu)] n chains linked through dpa tethers. Antiferromagnetic coupling is observed for 2 and 3, while ferromagnetism is predominant in 1. Compound 3 undergoes a thermally induced single crystal-to-single crystal transformation from an acentric to a centrosymmetric space group

  9. Studies in crystal structure and luminescence properties of Eu3+-doped metal tungstate phosphors for white LEDs

    International Nuclear Information System (INIS)

    Lee, Gwan-Hyoung; Kang, Shinhoo

    2011-01-01

    The correlation between the crystal structure and luminescent properties of Eu 3+ -doped metal tungstate phosphors for white LEDs was investigated. Red-emitting A 4-3x (WO 4 ) 2 :Eu x 3+ (A=Li, Na, K) and B (4-3x)/2 (WO 4 ) 2 :Eu x 3+ (B=Mg, Ca, Sr) phosphors were synthesized by solid-state reactions. The findings confirmed that these phosphors exhibited a strong absorption in the near UV to green range, due to the intra-configurational 4f-4f electron transition of Eu 3+ ions. The high doping concentration of Eu 3+ enhanced the absorption of near UV light and red emission without any detectable concentration quenching. Based on the results of a Rietveld refinement, it was attributed to the unique crystal structure. In the crystal structure of the Eu 3+ -doped metal tungstate phosphor, the critical energy transfer distance is larger than 5 A so that exchange interactions between Eu 3+ ions would occur with difficulty, even at a high doping concentration. The energy transfer between Eu 3+ ions, which causes a decrease in red emission with increasing concentration of Eu 3+ , appears to be due to electric multi-polar interactions. In addition, the Eu-O distance in the host lattice affected the shape of emission spectrum by splitting of emission peak at the 5 D 0 → 7 F 2 transition of Eu 3+ . - Highlights: → Eu 3+ -doped metal tungstate was synthesized as a red phosphor for white LEDs. → Crystal structure is tetragonal with a space group of I4 1 /c. → A strong absorption in the near UV to green range was observed. → High doping of Eu 3+ enhanced the absorption of near UV light and red emission.

  10. Metal induced crystallization of amorphous silicon thin films studied by x-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Naidu, K Lakshun; Mohiddon, Md Ahamad; Dalba, G; Krishna, M Ghanashyam; Rocca, F

    2013-01-01

    The role of thin metallic layer (Chromium or Nickel) in the crystallization of a-Si film has been studied using X-ray absorption fine structure spectroscopy (XAFS). The films were grown at different substrate temperatures in two different geometrical structures : (a) a 200 nm metal layer (Cr or Ni) was deposited on fused silica (FS) followed by 400 nm of a-Si and (b) the 400 nm a-Si layer was deposited on FS followed by 200 nm of metal layer. XAFS measurements at Cr K-edge and Ni K-edge were done at BM08 – GILDA beamline of the European Synchrotron Research Facility (ESRF, Grenoble, F) in fluorescence mode. To understand the evolution of the local structure of Cr/Ni diffusing from bottom to top and from top to bottom, total reflection and higher incidence angles were employed. The relative content of metal, metal oxide and metal silicides compounds on the upper surface and/or in the bulk of different films has been evaluated as a function of thermal treatment.

  11. 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.

  12. Ground state depletion – A step towards mid-IR lasing of doped silver halides

    Energy Technology Data Exchange (ETDEWEB)

    Tsur, Yuval, E-mail: yuvaltsu@post.tau.ac.il [Raymond and Beverly Sackler Faculty of Exact Sciences, Tel-Aviv University, Tel-Aviv 6997801 (Israel); Goldring, Sharone [Applied Physics Division, Soreq NRC, Yavne 81800 (Israel); Galun, Ehud [DDR& D, Ministry of Defense (Israel); Katzir, Abraham [Raymond and Beverly Sackler Faculty of Exact Sciences, Tel-Aviv University, Tel-Aviv 6997801 (Israel)

    2016-07-15

    We show for the first time ground state absorption saturation in a doped silver halide crystal (AgCl{sub x}Br{sub 1−x}), specifically with cobalt. Spectroscopic studies showed absorption bands in the 1.4–2.5 μm region and emission bands in the 3.8–5.0 μm region, with a 1.5 ms lifetime at low temperatures. Absorption saturation indicates a good low and room temperature lasing feasibility at 4.1 μm. In addition, a comparison of cobalt, nickel and iron as dopants is presented. These doped silver halide crystals can be extruded to form optical fibers, possibly introducing a new family of fiber lasers for the middle infrared.

  13. 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.

  14. 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.

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

    Science.gov (United States)

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

    2018-06-14

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

  16. Surface structure of ultrathin metal films deposited on copper single crystals

    International Nuclear Information System (INIS)

    Butterfield, M.T.

    2000-04-01

    Ultrathin films of Cobalt, Iron and Manganese have been thermally evaporated onto an fcc Copper (111) single crystal substrate and investigated using a variety of surface structural techniques. The small lattice mismatch between these metals and the Cu (111) substrate make them an ideal candidate for the study of the phenomena of pseudomorphic film growth. This is important for the understanding of the close relationship between film structure and magnetic properties. Growing films with the structure of their substrate rather than their bulk phase may provide an opportunity to grow materials with novel physical and magnetic properties, and hence new technological applications. Both Cobalt and Iron have been found to initially maintain a registry with the fcc Cu (111) surface in a manner consistent with pseudomorphic growth. This growth is complicated by island rather than layer by layer growth in the initials stages of the film. In both cases a change in the structure of the film seems to occur at a point where the coalescence of islands in the film may be expected to occur. When the film does change structure they do not form a perfect overlayer with the structure of their bulk counterpart. The films do contain a number of features representative of the bulk phase but also contain considerable disorder and possibly remnants of fcc (111) structure. The order present in these films can be greatly improved by annealing. Manganese appears to grow with an fcc Mn (111) lattice spacing and there is no sign of a change in structure in films of up to 4.61 ML thick. The gradual deposition and annealing of a film to 300 deg. C, with a total deposition time the same as that for a 1 ML thick film, causes a surface reconstruction to occur that is apparent in a R30 deg. (√3 x √3) LEED pattern. This is attributed to the formation of a surface alloy, which is also supported by the local expansion of the Cu lattice in the (111) direction. (author)

  17. Improving Passivation Process of Si Nano crystals Embedded in SiO2 Using Metal Ion Implantation

    International Nuclear Information System (INIS)

    Bornacelli, J.; Esqueda, J.A.R.; Fernandez, L.R.; Oliver, A.

    2013-01-01

    We studied the photoluminescence (PL) of Si nano crystals (Si-NCs) embedded in SiO 2 obtained by ion implantation at MeV energy. The Si-NCs are formed at high depth (1-2 μm) inside the SiO 2 achieving a robust and better protected system. After metal ion implantation (Ag or Au), and a subsequent thermal annealing at 600°C under hydrogen-containing atmosphere, the PL signal exhibits a noticeable increase. The ion metal implantation was done at energies such that its distribution inside the silica does not overlap with the previously implanted Si ion . Under proper annealing Ag or Au nanoparticles (NPs) could be nucleated, and the PL signal from Si-NCs could increase due to plasmonic interactions. However, the ion-metal-implantation-induced damage can enhance the amount of hydrogen, or nitrogen, that diffuses into the SiO 2 matrix. As a result, the surface defects on Si-NCs can be better passivated, and consequently, the PL of the system is intensified. We have selected different atmospheres (air, H 2 /N 2 and Ar) to study the relevance of these annealing gases on the final PL from Si-NCs after metal ion implantation. Studies of PL and time-resolved PL indicate that passivation process of surface defects on Si-NCs is more effective when it is assisted by ion metal implantation.

  18. 2D halide perovskite-based van der Waals heterostructures: contact evaluation and performance modulation

    Science.gov (United States)

    Guo, Yaguang; Saidi, Wissam A.; Wang, Qian

    2017-09-01

    Halide perovskites and van der Waals (vdW) heterostructures are both of current interest owing to their novel properties and potential applications in nano-devices. Here, we show the great potential of 2D halide perovskite sheets (C4H9NH3)2PbX4 (X  =  Cl, Br and I) that were synthesized recently (Dou et al 2015 Science 349 1518-21) as the channel materials contacting with graphene and other 2D metallic sheets to form van der Waals heterostructures for field effect transistor (FET). Based on state-of-the-art theoretical simulations, we show that the intrinsic properties of the 2D halide perovskites are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The 2D halide perovskites form a p-type Schottky barrier (Φh) contact with graphene, where tunneling barrier exists, and a negative band bending occurs at the lateral interface. We demonstrate that the Schottky barrier can be turned from p-type to n-type by doping graphene with nitrogen atoms, and a low-Φh or an Ohmic contact can be realized by doping graphene with boron atoms or replacing graphene with other high-work-function 2D metallic sheets such as ZT-MoS2, ZT-MoSe2 and H-NbS2. This study not only predicts a 2D halide perovskite-based FETs, but also enhances the understanding of tuning Schottky barrier height in device applications.

  19. Thermochromic halide perovskite solar cells

    Science.gov (United States)

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

    2018-03-01

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

  20. Thermochromic halide perovskite solar cells.

    Science.gov (United States)

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

    2018-03-01

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

  1. Electron pairing in dilute liquid metal-metal halide solutions

    Energy Technology Data Exchange (ETDEWEB)

    Selloni, A.; Car, R.; Parrinello, M.; Carnevali, P.

    1987-09-10

    Spin density functional theory is used to describe the interaction between solvated electrons in KCl in the high dilution limit. In agreement with recent calculations based on the path integral method our results for antiparallel spin predict a strong tendency to form localized bielectronic complexes. At variance with numerical path integral, our method can efficiently treat the case of parallel spins. For this case we find that electrons repel each other and localize into separate F-center-like states.

  2. Halide-Dependent Electronic Structure of Organolead Perovskite Materials

    KAUST Repository

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

    2015-01-01

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

  3. Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams.

    Science.gov (United States)

    Cao, J; Ertekin, E; Srinivasan, V; Fan, W; Huang, S; Zheng, H; Yim, J W L; Khanal, D R; Ogletree, D F; Grossman, J C; Wu, J

    2009-11-01

    Correlated electron materials can undergo a variety of phase transitions, including superconductivity, the metal-insulator transition and colossal magnetoresistance. Moreover, multiple physical phases or domains with dimensions of nanometres to micrometres can coexist in these materials at temperatures where a pure phase is expected. Making use of the properties of correlated electron materials in device applications will require the ability to control domain structures and phase transitions in these materials. Lattice strain has been shown to cause the coexistence of metallic and insulating phases in the Mott insulator VO(2). Here, we show that we can nucleate and manipulate ordered arrays of metallic and insulating domains along single-crystal beams of VO(2) by continuously tuning the strain over a wide range of values. The Mott transition between a low-temperature insulating phase and a high-temperature metallic phase usually occurs at 341 K in VO(2), but the active control of strain allows us to reduce this transition temperature to room temperature. In addition to device applications, the ability to control the phase structure of VO(2) with strain could lead to a deeper understanding of the correlated electron materials in general.

  4. A new constitutive analysis of hexagonal close-packed metal in equal channel angular pressing by crystal plasticity finite element method

    Science.gov (United States)

    Li, Hejie; Öchsner, Andreas; Yarlagadda, Prasad K. D. V.; Xiao, Yin; Furushima, Tsuyoshi; Wei, Dongbin; Jiang, Zhengyi; Manabe, Ken-ichi

    2018-01-01

    Most of hexagonal close-packed (HCP) metals are lightweight metals. With the increasing application of light metal products, the production of light metal is increasingly attracting the attentions of researchers worldwide. To obtain a better understanding of the deformation mechanism of HCP metals (especially for Mg and its alloys), a new constitutive analysis was carried out based on previous research. In this study, combining the theories of strain gradient and continuum mechanics, the equal channel angular pressing process is analyzed and a HCP crystal plasticity constitutive model is developed especially for Mg and its alloys. The influence of elevated temperature on the deformation mechanism of the Mg alloy (slip and twin) is novelly introduced into a crystal plasticity constitutive model. The solution for the new developed constitutive model is established on the basis of the Lagrangian iterations and Newton Raphson simplification.

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

    International Nuclear Information System (INIS)

    Selling, J.

    2007-01-01

    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 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 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 2+ /Eu 3+ ratio in the glass ceramics should be determined and optimize favor of the Eu 2+ . We also want to distinguish between Eu 2+ in the glass matrix and Eu 2+ in the nanocrystals. For a better understanding of Moessbauer spectroscopy on Eu also measurements on Eu in a CaF 2 host lattice were carried

  6. Bioleaching of incineration fly ash by Aspergillus niger – precipitation of metallic salt crystals and morphological alteration of the fungus

    Directory of Open Access Journals (Sweden)

    Tong-Jiang Xu

    2014-09-01

    Full Text Available This study examines the bioleaching of municipal solid waste incineration fly ash by Aspergillus niger, and its effect on the fungal morphology, the fate of the ash particles, and the precipitation of metallic salt crystals during bioleaching. The fungal morphology was significantly affected during one-step and two-step bioleaching; scanning electron microscopy revealed that bioleaching caused distortion of the fungal hyphae (with up to 10 μm hyphae diameter and a swollen pellet structure. In the absence of the fly ash, the fungi showed a linear structure (with 2–4 μm hyphae diameter. Energy-dispersive X-ray spectroscopy and X-ray diffraction confirmed the precipitation of calcium oxalate hydrate crystals at the surface of hyphae in both one-step and two-step bioleaching. Calcium oxalate precipitation affects bioleaching via the weakening of the fly ash, thus facilitating the release of other tightly bound metals in the matrix.

  7. Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride.

    Science.gov (United States)

    Agilandeshwari, R; Muthu, K; Meenatchi, V; Meena, K; Rajasekar, M; Aditya Prasad, A; Meenakshisundaram, S P

    2015-02-25

    The influence of Sr(II)-doping on the properties of tetrakis(thiourea)nickel(II) chloride (TTNC) has been described. The reduction in the intensity observed in powder X-ray diffraction of doped specimen and slight shifts in vibrational frequencies of doped specimens confirm the lattice stress as a result of doping. Surface morphological changes due to doping of the Sr(II) are observed by scanning electron microscopy. The incorporation of metal into the host crystal lattice was confirmed by energy dispersive X-ray spectroscopy. Lattice parameters are determined by single crystal XRD analysis. The thermogravimetric and differential thermal analysis studies reveal the purity of the materials and no decomposition is observed up to the melting point. The nonlinear optical properties of the doped and undoped specimens were studied. Theoretical calculations were performed using the Density functional theory (DFT) method with B3LYP/LANL2DZ as the basis set. The molecular geometry and vibrational frequencies of TTNC in the ground state were calculated and the observed structural parameters of TTNC are compared with parameters obtained from single crystal X-ray studies. The atomic charge distributions are obtained by Mulliken charge population analysis. The first-order molecular hyperpolarizability, polarizability and dipole moment were derived. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Isostructural crystal hydrates of rare-earth metal oxalates at high pressure. From strain anisotropy to dehydration

    Energy Technology Data Exchange (ETDEWEB)

    Zakharov, Boris A.; Matvienko, Alexander A. [Russian Academy of Ssciences, Novosibirsk (Russian Federation). Inst. of Solid State Chemistry and Mechanochemistry; Novosibirsk State Univ. (Russian Federation); Gribov, Pavel A.; Boldyreva, Elena V. [Russian Academy of Ssciences, Novosibirsk (Russian Federation). Inst. of Solid State Chemistry and Mechanochemistry

    2017-07-01

    The crystal structures of a series of isostructural rare-earth metal oxalates, (REE){sub 2}(C{sub 2}O{sub 4}){sub 3}.10H{sub 2}O (REE=Sm, Y) and a 1:1 YSm(C{sub 2}O{sub 4}){sub 3}.10H{sub 2}O solid solution, have been studied in situ by single-crystal X-ray diffraction and optical microscopy. The structures were followed from ambient pressure to 6 GPa in a DAC with paraffin as the hydrostatic fluid. Bulk compressibilities, anisotropic lattice strain on hydrostatic compression and the corresponding changes in the atomic coordinates were followed. Discontinuities/sharp changes in the slopes of the pressure dependences of volume and selected cell parameters have been observed for yttrium-containing salts at ∝3.5 GPa. This may be related to the re-distribution of water molecules within the crystal structure. Y{sub 2}(C{sub 2}O{sub 4}){sub 3}.10H{sub 2}O undergoes a partial dehydration at 1 GPa, forming monoclinic Y{sub 2}(C{sub 2}O{sub 4}){sub 3}.6H{sub 2}O as single-crystalline inclusions in the original phase.

  9. Basic mechanisms of color centres production by excitons in activated alkali halides

    International Nuclear Information System (INIS)

    Vale, G.

    1981-01-01

    The paper deals with some peculiarities of colour centers formation which are caused by introduction of the activator in alkali halide crystals. The crystals of KBr and KI activated with Tl + , In + , Sn ++ in concentrations 10 17 -10 18 cm -3 and irradiated with ultraviolet light are studied. Excitation spectra of photostimulated activator luminescence and thermoluminescence were measured. The kinetics of the photostimulated activator luminescence is studied. The conclusion is made that the activator does not affect the primary reaction of exciton decay with F-H pair generation, but only the secondary reactions of colour center production [ru

  10. Metal borohydrides and derivatives

    DEFF Research Database (Denmark)

    Paskevicius, Mark; Haarh Jepsen, Lars; Schouwink, Pascal

    2017-01-01

    major classes of metal borohydride derivatives have also been discovered: anion-substituted compounds where the complex borohydride anion, BH4 -, is replaced by another anion, i.e. a halide or amide ion; and metal borohydrides modified with neutral molecules, such as NH3, NH3BH3, N2H4, etc. Here, we...

  11. Direct synthesis of highly textured Ge on flexible polyimide films by metal-induced crystallization

    Energy Technology Data Exchange (ETDEWEB)

    Oya, N.; Toko, K., E-mail: toko@bk.tsukuba.ac.jp; Suemasu, T. [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan); Saitoh, N.; Yoshizawa, N. [Electron Microscope Facility, TIA, AIST, 16-1 Onogawa, Tsukuba 305-8569 (Japan)

    2014-06-30

    The highly (111)-textured Ge thin film (50-nm thickness) is demonstrated on a flexible polyimide film via the low-temperature crystallization (325 °C) of amorphous Ge using Al as a catalyst. Covering the polyimide with insulators significantly improved the crystal quality of the resulting Ge layer. In particular, SiN covering led to 97% (111)-oriented Ge with grains 200 μm in size, two orders larger than the grain size of polycrystalline Ge directly formed on the polyimide film. This achievement will give a way to realize advanced electronic and optical devices simultaneously allowing for high performance, inexpensiveness, and flexibility.

  12. Metodologia para o crescimento de esferas monocristalinas de metais nobres A methodology for the growing of single crystal spheres of noble metals

    Directory of Open Access Journals (Sweden)

    Luiz H. Dall'Antonia

    1999-09-01

    Full Text Available This paper describes in detail a technique employed to grow quasi-spherical single crystals of noble metals for electrochemical applications, using platinum as an example. The metal beads were formed by melting the extremity of a wire in an oxygen / butane flame. X-ray techniques were used to check the crystallization and to determine the orientation of the crystals. Treatment with a pure hydrogen flame followed by a cooling procedure in a hydrogen / argon atmosphere were used for conditioning the well-defined platinum single crystal surfaces. Finally, electrochemical characterization of the Pt(111, Pt(110 and Pt(100 surfaces was done in diluted sulfuric acid solution in the hydrogen adsorption / desorption potential region.

  13. Energetics and dynamics in organic–inorganic halide perovskite photovoltaics and light emitters

    International Nuclear Information System (INIS)

    Sum, Tze Chien; Chen, Shi; Xing, Guichuan; Liu, Xinfeng; Wu, Bo

    2015-01-01

    The rapid transcendence of organic–inorganic metal halide perovskite solar cells to above the 20% efficiency mark has captivated the broad photovoltaic community. As the efficiency race continues unabated, it is essential that fundamental studies keep pace with these developments. Further gains in device efficiencies are expected to be increasingly arduous and harder to come by. The key to driving the perovskite solar cell efficiencies towards their Shockley–Queisser limit is through a clear understanding of the interfacial energetics and dynamics between perovskites and other functional materials in nanostructured- and heterojunction-type devices. In this review, we focus on the current progress in basic characterization studies to elucidate the interfacial energetics (energy-level alignment and band bending) and dynamical processes (from the ultrafast to the ultraslow) in organic–inorganic metal halide perovskite photovoltaics and light emitters. Major findings from these studies will be distilled. Open questions and scientific challenges will also be highlighted. (topical review)

  14. Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites

    Energy Technology Data Exchange (ETDEWEB)

    Radka, Christopher D.; DeLucas, Lawrence J.; Wilson, Landon S.; Lawrenz, Matthew B.; Perry, Robert D.; Aller, Stephen G.

    2017-06-30

    Gram-negative bacteria use siderophores, outer membrane receptors, inner membrane transporters and substrate-binding proteins (SBPs) to transport transition metals through the periplasm. The SBPs share a similar protein fold that has undergone significant structural evolution to communicate with a variety of differentially regulated transporters in the cell. InYersinia pestis, the causative agent of plague, YfeA (YPO2439, y1897), an SBP, is important for full virulence during mammalian infection. To better understand the role of YfeA in infection, crystal structures were determined under several environmental conditions with respect to transition-metal levels. Energy-dispersive X-ray spectroscopy and anomalous X-ray scattering data show that YfeA is polyspecific and can alter its substrate specificity. In minimal-media experiments, YfeA crystals grown after iron supplementation showed a threefold increase in iron fluorescence emission over the iron fluorescence emission from YfeA crystals grown from nutrient-rich conditions, and YfeA crystals grown after manganese supplementation during overexpression showed a fivefold increase in manganese fluorescence emission over the manganese fluorescence emission from YfeA crystals grown from nutrient-rich conditions. In all experiments, the YfeA crystals produced the strongest fluorescence emission from zinc and could not be manipulated otherwise. Additionally, this report documents the discovery of a novel surface metal-binding site that prefers to chelate zinc but can also bind manganese. Flexibility across YfeA crystal forms in three loops and a helix near the buried metal-binding site suggest that a structural rearrangement is required for metal loading and unloading.

  15. Experimental demonstration of efficient and selective population transfer and qubit distillation in a rare-earth-metal-ion-doped crystal

    International Nuclear Information System (INIS)

    Rippe, Lars; Nilsson, Mattias; Kroell, Stefan; Klieber, Robert; Suter, Dieter

    2005-01-01

    In optically controlled quantum computers it may be favorable to address different qubits using light with different frequencies, since the optical diffraction does not then limit the distance between qubits. Using qubits that are close to each other enables qubit-qubit interactions and gate operations that are strong and fast in comparison to qubit-environment interactions and decoherence rates. However, as qubits are addressed in frequency space, great care has to be taken when designing the laser pulses, so that they perform the desired operation on one qubit, without affecting other qubits. Complex hyperbolic secant pulses have theoretically been shown to be excellent for such frequency-addressed quantum computing [I. Roos and K. Molmer, Phys. Rev. A 69, 022321 (2004)] - e.g., for use in quantum computers based on optical interactions in rare-earth-metal-ion-doped crystals. The optical transition lines of the rare-earth-metal-ions are inhomogeneously broadened and therefore the frequency of the excitation pulses can be used to selectively address qubit ions that are spatially separated by a distance much less than a wavelength. Here, frequency-selective transfer of qubit ions between qubit states using complex hyperbolic secant pulses is experimentally demonstrated. Transfer efficiencies better than 90% were obtained. Using the complex hyperbolic secant pulses it was also possible to create two groups of ions, absorbing at specific frequencies, where 85% of the ions at one of the frequencies was shifted out of resonance with the field when ions in the other frequency group were excited. This procedure of selecting interacting ions, called qubit distillation, was carried out in preparation for two-qubit gate operations in the rare-earth-metal-ion-doped crystals. The techniques for frequency-selective state-to-state transfer developed here may be also useful also for other quantum optics and quantum information experiments in these long-coherence-time solid

  16. Flicker noise in degenerately doped Si single crystals near the metal ...

    Indian Academy of Sciences (India)

    discrete Lorentzians which arise from generation-recombination process ..... and for the metallic sample α has a shallow temperature dependence. ... the gr process with activation energy «0.5 eV would imply association of the deep levels.

  17. Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

    International Nuclear Information System (INIS)

    Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun; Gibson, John K.

    2017-01-01

    Although the first organoactinide chloride Cp_3UCl (Cp = η"5-C_5H_5) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT)_2U_2X_n (COT = η"8-C_8H_8; X=F, Cl, CN; n=2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT)_2U_2X_n, and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT)_2U_2X_n species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT)_2U_2X_4 might be accessible through the known (COT)_2U complex. The tetravalent derivatives (COT)_2U_2X_4 are more energetically favorable than the trivalent (COT)_2U_2X_2 analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.

  18. Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun [Chinese Academy of Sciences, Beijing (China). Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety; Chai, Zhi-Fang [Chinese Academy of Sciences, Beijing (China). Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety; Soochow Univ., Suzhou (China). School of Radiological and Interdisciplinary Sciences (RAD-X); Gibson, John K. [Lawrence Berkeley National Laboratory, CA (United States). Chemical Sciences Division

    2017-03-01

    Although the first organoactinide chloride Cp{sub 3}UCl (Cp = η{sup 5}-C{sub 5}H{sub 5}) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT){sub 2}U{sub 2}X{sub n} (COT = η{sup 8}-C{sub 8}H{sub 8}; X=F, Cl, CN; n=2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT){sub 2}U{sub 2}X{sub n}, and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT){sub 2}U{sub 2}X{sub n} species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT){sub 2}U{sub 2}X{sub 4} might be accessible through the known (COT){sub 2}U complex. The tetravalent derivatives (COT){sub 2}U{sub 2}X{sub 4} are more energetically favorable than the trivalent (COT){sub 2}U{sub 2}X{sub 2} analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.

  19. Size characterisation of noble-metal nano-crystals formed in sapphire by ion irradiation and subsequent thermal annealing

    Energy Technology Data Exchange (ETDEWEB)

    Mota-Santiago, Pablo-Ernesto [Instituto de Fisica, Universidad Nacional Autonoma de Mexico A.P. 20-364 01000 Mexico D.F. (Mexico); Crespo-Sosa, Alejandro, E-mail: crespo@fisica.unam.mx [Instituto de Fisica, Universidad Nacional Autonoma de Mexico A.P. 20-364 01000 Mexico D.F. (Mexico); Jimenez-Hernandez, Jose-Luis; Silva-Pereyra, Hector-Gabriel; Reyes-Esqueda, Jorge-Alejandro; Oliver, Alicia [Instituto de Fisica, Universidad Nacional Autonoma de Mexico A.P. 20-364 01000 Mexico D.F. (Mexico)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Systematic study on the formation of Ag and Au nano-particles in Al{sub 2}O{sub 3}. Black-Right-Pointing-Pointer Annealing in a reducing atmosphere, below the metal melting point is more suitable. Black-Right-Pointing-Pointer Au nano-particles grow up to 15 nm and Ag nano-particles up to 45 nm in radius. Black-Right-Pointing-Pointer Ostwald ripening is the mechanism responsible for the formation of large nanoparticles. Black-Right-Pointing-Pointer Optical properties of metallic nano-particles in Al{sub 2}O{sub 3} can be related to their size. - Abstract: Metallic nano-particles embedded in transparent dielectrics are very important for new technological applications because of their unique optical properties. These properties depend strongly on the size and shape of the nano-particles. In order to achieve the synthesis of metallic nano-particles it has been used the technique of ion implantation. This is a very common technique because it allows the control of the depth and concentration of the metallic ions inside the sample, limited mostly by straggling, without introducing other contaminant agents. The purpose of this work was to measure the size of the nano-particles grown under different conditions in Sapphire and its size evolution during the growth process. To achieve this goal, {alpha}-Al{sub 2}O{sub 3} single crystals were implanted with Ag or Au ions at room temperature with different fluences (from 2 Multiplication-Sign 10{sup 16} ions/cm{sup 2} to 8 Multiplication-Sign 10{sup 16} ions/cm{sup 2}). Afterwards, the samples were annealed at different temperatures (from 600 Degree-Sign C to 1100 Degree-Sign C) in oxidising, reducing, Ar or N{sub 2} atmospheres. We measured the ion depth profile by Rutherford Backscattering Spectroscopy (RBS) and the nano-crystals size distribution by using two methods, the surface plasmon resonance in the optical extinction spectrum and the Transmission Electron Microscopy (TEM).

  20. Crystal Structure of Cu/Zn Superoxide Dismutase from Taenia Solium Reveals Metal-mediated Self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    A Hernandez-Santoyo; A Landa; E Gonzalez-Mondragon; M Pedraza-Escalona; R Parra-Unda; A Rodriguez-Romero

    2011-12-31

    Taenia solium is the cestode responsible for porcine and human cysticercosis. The ability of this parasite to establish itself in the host is related to its evasion of the immune response and its antioxidant defence system. The latter includes enzymes such as cytosolic Cu/Zn superoxide dismutase. In this article, we describe the crystal structure of a recombinant T. solium Cu/Zn superoxide dismutase, representing the first structure of a protein from this organism. This enzyme shows a different charge distribution at the entrance of the active channel when compared with human Cu/Zn superoxide dismutase, giving it interesting properties that may allow the design of specific inhibitors against this cestode. The overall topology is similar to other superoxide dismutase structures; however, there are several His and Glu residues on the surface of the protein that coordinate metal ions both intra- and intermolecularly. Interestingly, one of these ions, located on the {beta}2 strand, establishes a metal-mediated intermolecular {beta}-{beta} interaction, including a symmetry-related molecule. The factors responsible for the abnormal protein-protein interactions that lead to oligomerization are still unknown; however, high metal levels have been implicated in these phenomena, but exactly how they are involved remains unclear. The present results suggest that this structure could be useful as a model to explain an alternative mechanism of protein aggregation commonly observed in insoluble fibrillar deposits.

  1. Crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides: First-principles calculations

    International Nuclear Information System (INIS)

    Wang, Y.; Chen, W.; Chen, X.; Liu, H.Y.; Ding, Z.H.; Ma, Y.M.; Wang, X.D.; Cao, Q.P.; Jiang, J.Z.

    2012-01-01

    Highlights: ► Changes from NaCl-, WC- to anti-NiAs-type structures are for 4d and 5d metal monoborides. ► Vickers hardnesses of monoborides are relatively low. ► B-vacancies cause the difference in lattice parameters for IrB and PtB. ► Nonstoichiometric IrB and PtB phases synthesized. - Abstract: The crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides have been studied by first principles calculations. It is found that NaCl-type ZrB, NbB, MoB, HfB, TaB and WB, WC-type TcB, RuB, ReB, OsB and IrB, and anti-NiAs-type RhB and PdB are thermodynamically stable at zero pressure. They all are metallic. The Vickers hardnesses of these monoborides are relatively low as compared with monocarbides and mononitrides. It is clarified that the presence of B-vacancies is the origin for the difference of lattice parameters between theoretical and experimental results for WC-type IrB and anti-NiAs-type PtB while IrB and PtB with stoichiometry from calculations are revealed to be mechanically unstable and dynamically unstable, respectively.

  2. Crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides: First-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y.; Chen, W. [International Center for New-Structured Materials (ICNSM), Zhejiang University, and Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Chen, X.; Liu, H.Y. [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Ding, Z.H.; Ma, Y.M. [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130012 (China); Wang, X.D.; Cao, Q.P. [International Center for New-Structured Materials (ICNSM), Zhejiang University, and Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Jiang, J.Z., E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Zhejiang University, and Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Changes from NaCl-, WC- to anti-NiAs-type structures are for 4d and 5d metal monoborides. Black-Right-Pointing-Pointer Vickers hardnesses of monoborides are relatively low. Black-Right-Pointing-Pointer B-vacancies cause the difference in lattice parameters for IrB and PtB. Black-Right-Pointing-Pointer Nonstoichiometric IrB and PtB phases synthesized. - Abstract: The crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides have been studied by first principles calculations. It is found that NaCl-type ZrB, NbB, MoB, HfB, TaB and WB, WC-type TcB, RuB, ReB, OsB and IrB, and anti-NiAs-type RhB and PdB are thermodynamically stable at zero pressure. They all are metallic. The Vickers hardnesses of these monoborides are relatively low as compared with monocarbides and mononitrides. It is clarified that the presence of B-vacancies is the origin for the difference of lattice parameters between theoretical and experimental results for WC-type IrB and anti-NiAs-type PtB while IrB and PtB with stoichiometry from calculations are revealed to be mechanically unstable and dynamically unstable, respectively.

  3. Complexes of alkylphenols with aluminium halides

    International Nuclear Information System (INIS)

    Golounin, A.V.

    1997-01-01

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

  4. 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

  5. Spectroscopic investigation of indium halides as substitudes of mercury in low pressure discharges for lighting applications

    Energy Technology Data Exchange (ETDEWEB)

    Briefi, Stefan

    2012-05-22

    Low pressure discharges with indium halides as radiator are discussed as substitutes for hazardous mercury in conventional fluorescent lamps. In this work, the applicability of InBr and InCl in a low pressure discharge light source is investigated. The aim is to identify and understand the physical processes which determine the discharge characteristics and the efficiency of the generated near-UV emission of the indium halide molecule and of the indium atom which is created due to dissociation processes in the plasma. As discharge vessels sealed cylindrical quartz glass tubes which contain a defined amount of indium halide and a rare gas are used. Preliminary investigations showed that for a controlled variation of the indium halide density a well-defined cold spot setup is mandatory. This was realized in the utilized experimental setup. The use of metal halides raises the issue, that power coupling by internal electrodes is not possible as the electrodes would quickly be eroded by the halides. The comparison of inductive and capacitive RF-coupling with external electrodes revealed that inductively coupled discharges provide higher light output and much better long term stability. Therefore, all investigations are carried out using inductive RF-coupling. The diagnostic methods optical emission and white light absorption spectroscopy are applied. As the effects of absorption-signal saturation and reabsorption of emitted radiation within the plasma volume could lead to an underestimation of the determined population densities by orders of magnitude, these effects are considered in the data evaluation. In order to determine the electron temperature and the electron density from spectroscopic measurements, an extended corona model as population model of the indium atom has been set up. A simulation of the molecular emission spectra has been implemented to investigate the rovibrational population processes of the indium halide molecules. The impact of the cold spot

  6. Crystal fields in Sc, Y, and the heavy-rare-earth metals Tb, Dy, Ho, Er, Tm, and Lu

    International Nuclear Information System (INIS)

    Touborg, P.

    1977-01-01

    Experimental investigations of the magnetic poperties of dilute alloys of the rare-earth solutes Tb, Dy, Ho, Er, and Tm in the nonmagnetic hosts Lu, Y, and Sc have been performed. These measurements, which include and supplement earlier published results, have been analyzed and crystal-field parameters for all these 15 alloy systems deduced. The consistency of the parameters was confirmed by a variety of magnetic measurements, including neutron spectroscopy. Crystal-field parameters have also been derived for the ions in pure magnetic rare-earth metals and their alloys using the results for the dilute alloys supplemented with paramagnetic measurements up to high temperatures on the concentrated systems. Mean values and standard deviations of the higher-order crystal-field parameters for all Y and Lu alloys are B 40 /β = 6.8 +- 0.9 K, B 60 /γ = 13.6 +- 0.7 K, and B 66 /γ = (9.7 +- 1.1) B 60 /γ. These values: with the inaccuracies somewhat increased: are expected to be representative also for the magnetic rare-earth metals. For rare-earth ions in the Sc host the values B 40 /β = 9.9 +- 1.9 K, B 60 /γ = 19.8 +- 1.5 K, and B 66 /γ = (9.4 +- 0.9) B 60 /γ were deduced. B 20 /α is a host-sensitive parameter which has the average values of -102.7, -53.4, and 29.5 K for rare-earth ions in Y, Lu, and Sc, respectively. There is also evidence that this parameter varies with the solute. B 20 /α for ions in the pure magnetic rare-earth metals and their alloys shows a linear variation with c/a ratio characteristic of each ion. The results indicate a contribution from anisotropic exchange to the high-temperature paramagnetic anisotropy of approximately 20% for Tb, Dy, Ho, and Er, and approximately 10% for Tm

  7. Spectroscopic studies of organometallic compounds on single crystal metal surfaces: Surface acetylides of silver (110)

    Science.gov (United States)

    Madix, Robert J.

    The nature of compounds formed by the reaction of organic molecules with metal surfaces can be studied with a battery of analytical methods based on both physicals and chemical understanding. In this paper the application of UPS, XPS, LEED and EELS as well as temperature programmed reaction spectroscopy (TPRS) and chemical titration methods to the characterization of surface complexes is discussed. Particular emphasis is given to the reaction of acetylene with a single crystal surface of silver, Ag(110). Previous work has shown that this surface, when clean, is unreactive to hydrocarbons, alcohols and carboxylic acids under ultra high vacuum conditions. Preadsorption of oxygen, however, renders the surface reactive, and a wide variety of organometallic surface compounds can be formed. As expected then, no stable adsorption state and no reaction was observed with clean Ag(110) following room temperature exposure to acetylene. Following exposure at 150 K, however, a weekly bound chemisorption state was observed to desorb at 195 K, indicating a binding energy to the surface of approximately 12 kcal/gmole. Reaction with preadsorbed oxygen gave water formulation upon dosing and produced surface intermediates which yeilded two acetylene desorption states at 195 and 175 K. Heating above 300 K to completely desorb the higher temperature state produced new, well-defined LEED Features due to residual surface carbon which disappeared when the surface was heated above 550 K. Clearly, there were distinc changes in the nature of the absorbed layer at 195, 300 and 550 K. These changes were reflected in XPS. For the weakly chemisorbed acetylene a large C(ls) peak at 285.6 eV with a small, broad, indistinc shoulder at higher binding energy (288.2) was observed. The spectrum of the species following acetylene desorption at 275 K, however, showed the formulation of a large C(ls) peak at 283.6 eV in addition to peaks characteristics of the weakly chemisorbed state. This result

  8. Freeform Fabrication of Magnetophotonic Crystals with Diamond Lattices of Oxide and Metallic Glasses for Terahertz Wave Control by Micro Patterning Stereolithography and Low Temperature Sintering

    Directory of Open Access Journals (Sweden)

    Maasa Nakano

    2013-04-01

    Full Text Available Micrometer order magnetophotonic crystals with periodic arranged metallic glass and oxide glass composite materials were fabricated by stereolithographic method to reflect electromagnetic waves in terahertz frequency ranges through Bragg diffraction. In the fabrication process, the photo sensitive acrylic resin paste mixed with micrometer sized metallic glass of Fe72B14.4Si9.6Nb4 and oxide glass of B2O3·Bi2O3 particles was spread on a metal substrate, and cross sectional images of ultra violet ray were exposed. Through the layer by layer stacking, micro lattice structures with a diamond type periodic arrangement were successfully formed. The composite structures could be obtained through the dewaxing and sintering process with the lower temperature under the transition point of metallic glass. Transmission spectra of the terahertz waves through the magnetophotonic crystals were measured by using a terahertz time domain spectroscopy.

  9. Copper co-crystallization and divalent metal salts cross-influence effect: A new optimization tool improving crystal morphology and diffraction quality

    Czech Academy of Sciences Publication Activity Database

    Kutá-Smatanová, Ivana

    2007-01-01

    Roč. 306, č. 2 (2007), s. 383-389 ISSN 0022-0248 Institutional research plan: CEZ:AV0Z60870520 Keywords : crystal * crystallization Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.950, year: 2007

  10. Stripping scattering of fast atoms on surfaces of metal-oxide crystals and ultrathin films

    International Nuclear Information System (INIS)

    Blauth, David

    2010-01-01

    In the framework of the present dissertation the interactions of fast atoms with surfaces of bulk oxides, metals and thin films on metals were studied. The experiments were performed in the regime of grazing incidence of atoms with energies of some keV. The advantage of this scattering geometry is the high surface sensibility and thus the possibility to determine the crystallographic and electronic characteristics of the topmost surface layer. In addition to these experiments, the energy loss and the electron emission induced by scattered projectiles was investigated. The energy for electron emission and exciton excitation on Alumina/NiAl(110) and SiO 2 /Mo(112) are determined. By detection of the number of projectile induced emitted electrons as function of azimuthal angle for the rotation of the target surface, the geometrical structure of atoms forming the topmost layer of different adsorbate films on metal surfaces where determined via ion beam triangulation. (orig.)

  11. Quantum mechanical ab initio simulation of the electron screening effect in metal deuteride crystals

    Energy Technology Data Exchange (ETDEWEB)

    Huke, A.; Chun, S.M.; Biller, A.; Heide, P. [Technische Universitaet Berlin, Institut fuer Optik und Atomare Physik, Berlin (Germany); Czerski, K. [Technische Universitaet Berlin, Institut fuer Optik und Atomare Physik, Berlin (Germany); University of Szczecin, Institute of Physics, Szczecin (Poland)

    2008-02-15

    In antecedent experiments the electron screening energies of the d+d reactions in metallic environments have been determined to be enhanced by an order of magnitude in comparison to the case of gaseous deuterium targets. The analytical models describing averaged material properties have not been able to explain the experimental results so far. Therefore, a first effort has been undertaken to simulate the dynamics of reacting deuterons in a metallic lattice by means of an ab initio Hartree-Fock calculation of the total electrostatic force between the lattice and the successively approaching deuterons via path integration. The calculations have been performed for Li and Ta, clearly showing a migration of electrons from host metallic to the deuterium atoms. However, in order to avoid more of the necessary simplifications in the model the utilization of a massive parallel supercomputer would be required. (orig.) 3.

  12. Fabricating large-area metallic woodpile photonic crystals using stacking and rolling

    International Nuclear Information System (INIS)

    Ibbotson, Lindsey A; Baumberg, Jeremy J

    2013-01-01

    Stacking thin polymer films supporting metal nanowire gratings provides a simple route, demonstrated here, to producing large-area metallic woodpile structures with high throughput. Under appropriate conditions the grating films can spontaneously roll up, giving a rapid and controllable method of creating multilayers. The resulting three-dimensional (3D) wire structures are flexible and potentially stretchable. Since this process can be extended to include a wide variety of functional materials, it opens up the manufacture of many tailored 3D optical metamaterials. (paper)

  13. Optical Properties of Metal-Dielectric Structures Based on Photon-Crystal Opal Matrices

    Science.gov (United States)

    Vanin, A. I.; Lukin, A. E.; Romanov, S. G.; Solovyev, V. G.; Khanin, S. D.; Yanikov, M. V.

    2018-04-01

    Optical properties of novel metal-dielectric nanocomposite materials based on opal matrices have been investigated. The position of optical resonances of nanocomposites, obtained by embedding of silver into the opal matrix by the electrothermodiffusion method, is explained by the Bragg diffraction, and an asymmetric form of resonance curves is attributed to the Fano resonance. An anomalous transmission and absorption of light by hybrid plasmon-photonic layered heterostructures, which is apparently associated with excitation of surface plasmon-polaritons, propagating along "metal-dielectric" interfaces, was revealed.

  14. Shock wave compression of hexagonal-close-packed metal single crystals: Time-dependent, anisotropic elastic-plastic response of beryllium

    International Nuclear Information System (INIS)

    Winey, J. M.; Gupta, Y. M.

    2014-01-01

    Understanding and modeling the response of hcp metals to high stress impulsive loading is challenging because the lower crystal symmetry, compared to cubic metals, results in a significantly more complex material response. To gain insight into the inelastic deformation of hcp metals subjected to high dynamic stresses, shock wave compression of single crystals provides a useful approach because different inelastic deformation mechanisms can be examined selectively by shock compression along different crystal orientations. As a representative example, we report, here, on wave propagation simulations for beryllium (Be) single crystals shocked along the c-axis, a-axis, and several low-symmetry directions to peak stresses reaching 7 GPa. The simulations utilized a time-dependent, anisotropic material model that incorporated dislocation dynamics, deformation twinning, and shear cracking based descriptions of inelastic deformation. The simulation results showed good overall agreement with measured wave profiles for all the different crystal orientations examined [Pope and Johnson, J. Appl. Phys. 46, 720 (1975)], including features arising from wave mode coupling due to the highly anisotropic inelastic response of Be. This good agreement demonstrates that the measured profiles can be understood in terms of dislocation slip along basal, prismatic, and pyramidal planes, together with deformation twinning along (101 ¯ 2) planes. Our results show that the response of shocked Be single crystals involves the simultaneous operation of multiple, distinct inelastic deformation mechanisms for all orientations except the c-axis. For shocked c-axis Be, the measured wave profiles do not provide good discrimination between pyramidal slip and other inelastic deformation mechanisms, such as shear cracking. The findings presented here provide insight into the complex inelastic deformation response of shocked Be single crystals and are expected to be useful for other hcp crystals. More

  15. Non-isothermal crystallization kinetics and fragility of (Cu46Zr47Al7)97Ti3 bulk metallic glass investigated by differential scanning calorimetry

    International Nuclear Information System (INIS)

    Zhu, Man; Li, Junjie; Yao, Lijuan; Jian, Zengyun; Chang, Fang’e; Yang, Gencang

    2013-01-01

    Highlights: • Non-isothermal crystallization kinetics of (Cu 46 Zr 47 Al 7 ) 97 Ti 3 BMGs was studied. • Two-stage of crystallization process is confirmed by DSC. • The nucleation process is difficult than growth process during crystallization. • The second crystallization process is the most sensitive to heating rate. • Kinetic fragility index is evaluated suggesting it is an intermediate glass. - Abstract: In this paper, bulk metallic glasses with the composition of (Cu 46 Zr 47 Al 7 ) 97 Ti 3 were prepared by copper mold casting technique. X-ray diffraction (XRD) and differential scanning calorimetry (DSC) were used to investigate its structure and non-isothermal crystallization kinetics. DSC traces revealed that it undergoes two-stage crystallization. The activation energies corresponding to the characteristic temperatures have been calculated, and the results reveal that the as-cast alloys have a good thermal stability in thermodynamics. Based on Kissinger equation, the activation energies for glass transition, the first and second crystallization processes were obtained as 485 ± 16 kJ/mol, 331 ± 7 kJ/mol and 210 ± 3 kJ/mol, respectively, suggesting that the nucleation process is more difficult than the grain growth process. The fitting curves using Lasocka's empirical relation show that the influence of the heating rate for crystallization is larger than glass transition. Furthermore, the kinetic fragility for (Cu 46 Zr 47 Al 7 ) 97 Ti 3 bulk metallic glasses is evaluated. Depending on the fragility index, (Cu 46 Zr 47 Al 7 ) 97 Ti 3 bulk metallic glasses should be considered as “intermediate glasses”

  16. Incipient crystallization of transition-metal tungstates under microwaves probed by Raman scattering and transmission electron microscopy

    International Nuclear Information System (INIS)

    Siqueira, Kisla P. F.; Dias, Anderson

    2011-01-01

    Microwave synthesis was used to produce nanosized transition-metal tungstates in environmentally friendly conditions not yet reported by the literature: 110 and 150 °C, for times of 10 and 20 min. X-ray diffraction evidenced incipient crystallized materials, while transmission electron microscopy indicates nanostructured regions of about 2–5 nm inside an amorphous matrix. Raman spectroscopy was used to probe short-range ordering in the achieved samples and also to obtain a reliable set of spectra containing all the Raman-active bands predicted by group-theory calculations. The vibrational spectra showed no extra feature, indicating that the microwave processing was able to produce short-range ordered materials without tetrahedral distortions. These distortions are frequently reported when commercially modified kitchen microwave units are employed. In this work, the syntheses were conducted in a commercial apparatus especially designed for fully controlled temperature–time–pressure conditions.

  17. Crystal structure of the mixed-metal trisulfide BaCu1/3Ta2/3S3

    Directory of Open Access Journals (Sweden)

    Kejun Bu

    2017-05-01

    Full Text Available The mixed-metal title compound, BaCu1/3Ta2/3S3 [barium copper(II tantalum(V trisulfide], was prepared through solid-state reactions. The crystal structure adopts the BaTaS3 structure type and consists of face-sharing [MS6] (M = Ta,Cu octahedra (point-group symmetry -3m. that are condensed into infinite chains along [001]. Adjacent chains are linked through the barium cations (site symmetry -6m2, which exhibit a coordination number of twelve. The M site is occupied by 2/3 of TaV and 1/3 of CuII, whereby the average M—S distances are slightly longer than those of ordered BaTaS3. The classical charge balance of the title compound can be represented by [Ba2+] [(Ta/Cu4+] [S2−]3.

  18. Nanoscale heterostructures with molecular-scale single-crystal metal wires.

    Science.gov (United States)

    Kundu, Paromita; Halder, Aditi; Viswanath, B; Kundu, Dipan; Ramanath, Ganpati; Ravishankar, N

    2010-01-13

    Creating nanoscale heterostructures with molecular-scale (synthesis of nanoscale heterostructures with single-crystal molecular-scale Au nanowires attached to different nanostructure substrates. Our method involves the formation of Au nanoparticle seeds by the reduction of rocksalt AuCl nanocubes heterogeneously nucleated on the substrates and subsequent nanowire growth by oriented attachment of Au nanoparticles from the solution phase. Nanoscale heterostructures fabricated by such site-specific nucleation and growth are attractive for many applications including nanoelectronic device wiring, catalysis, and sensing.

  19. Properties of transition metal-doped zinc chalcogenide crystals for tunable IR laser radiation

    International Nuclear Information System (INIS)

    DeLoach, L.D.; Page, R.H.; Wilke, G.D.

    1995-01-01

    The spectroscopic properties of Cr 2+ , Co 2+ , and Ni 2+ -doped single crystals of ZnS, ZnSe, and ZnTe have been investigated to understand their potential application as mid-IR tunable solid-state laser media. The spectroscopy indicated divalent Cr was the most favorable candidate for efficient room temperature lasing, and accordingly, a laser-pumped laser demonstration of Cr:ZnS and Cr:ZnSe has been performed. The lasers' output were peaked at ∼ 2.35 μm and the highest measured slope efficiencies were ∼ 20% in both cases

  20. Study of the crystallization of metallic glasses METGLAS 2826 and METGLAS 2826A by ferromagnetic ressonance

    International Nuclear Information System (INIS)

    Biasi, R.S. de; Fernandes, A.A.R.; Rodrigues, R.W.D.; Pascual, R.

    1984-01-01

    Using ferromagnetic resonance, it was investigated the crystalization of the METGLAS 2826 and METGLAS 2826A. The line width of the first derivative of the absorption curve was measured for several time intervals o isothermal treatment at 375 0 C. It was observed that after a decrease,due to tension relaxation, the line width increases with the interval of time treatment. The resultus indicate that, for suficiently long in itervals of time. the line width is function of the transformed fractiononly. (Author) [pt

  1. Fluorination of Metal Phthalocyanines: Single-Crystal Growth, Efficient N-Channel Organic Field-Effect Transistors, and Structure-Property Relationships

    Science.gov (United States)

    Jiang, Hui; Ye, Jun; Hu, Peng; Wei, Fengxia; Du, Kezhao; Wang, Ning; Ba, Te; Feng, Shuanglong; Kloc, Christian

    2014-01-01

    The fluorination of p-type metal phthalocyanines produces n-type semiconductors, allowing the design of organic electronic circuits that contain inexpensive heterojunctions made from chemically and thermally stable p- and n-type organic semiconductors. For the evaluation of close to intrinsic transport properties, high-quality centimeter-sized single crystals of F16CuPc, F16CoPc and F16ZnPc have been grown. New crystal structures of F16CuPc, F16CoPc and F16ZnPc have been determined. Organic single-crystal field-effect transistors have been fabricated to study the effects of the central metal atom on their charge transport properties. The F16ZnPc has the highest electron mobility (~1.1 cm2 V−1 s−1). Theoretical calculations indicate that the crystal structure and electronic structure of the central metal atom determine the transport properties of fluorinated metal phthalocyanines. PMID:25524460

  2. 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)

  3. Graphene composites containing chemically bonded metal oxides

    Indian Academy of Sciences (India)

    the oxide layers are chemically bonded to graphene (Zhang ... sists of three glass chambers, one to contain the metal halide. (TiCl4, SiCl4 ... In this step, the metal halide reacts with the oxygen function- ... 1·0 g of FeCl3 were vigorously stirred in 30 ml of ethylene ... Reaction with water vapour results in hydrolysis of the un-.

  4. Mechanical Properties Transformation On Zr54Al17Co29 Bulk Metallic Glass by Partial Crystallization

    Directory of Open Access Journals (Sweden)

    Yanuar Rohmat Aji Pradana

    2017-05-01

    Full Text Available Study on biomaterials is recently essential for rapid development of medical application and Zr54Al17Co29 BMGbecomes promising candidate due to the lack of toxic elements. Partial crystallization by isothermal annealing at SCL region was used to variate the crystallinities of BMG. The structural and thermal properties of as cast and partially crystallized samples were confirmed by XRD and DSC test, while microvickers and compression test were further utilized to investigate their mechanical properties. By the higher crystallinity, the hardness could be slightly increased in range 540 ± 5 to 575 ± 5 Hv. As-cast sample shows the yield strength and plastic strain of 2130 ± 75 MPa and 2.2 ± 1.6%. The yield strength is increased by the presence of 10% nanocrystal, afterwards, fall and raise phenomena are obtained with further crystallinity. However, with higher crystallinity, the plasticity is significantly degraded and no more plastic strain observed at sample with 50% of crystallinity. Both the presence of nanocrystalline phase and free volume annihilation are the reason of mechanical properties change on the Zr-based BMG.

  5. FDTD method for computing the off-plane band structure in a two-dimensional photonic crystal consisting of nearly free-electron metals

    Energy Technology Data Exchange (ETDEWEB)

    Xiao Sanshui; He Sailing

    2002-12-01

    An FDTD numerical method for computing the off-plane band structure of a two-dimensional photonic crystal consisting of nearly free-electron metals is presented. The method requires only a two-dimensional discretization mesh for a given off-plane wave number k{sub z} although the off-plane propagation is a three-dimensional problem. The off-plane band structures of a square lattice of metallic rods with the high-frequency metallic model in the air are studied, and a complete band gap for some nonzero off-plane wave number k{sub z} is founded.

  6. FDTD method for computing the off-plane band structure in a two-dimensional photonic crystal consisting of nearly free-electron metals

    International Nuclear Information System (INIS)

    Xiao Sanshui; He Sailing

    2002-01-01

    An FDTD numerical method for computing the off-plane band structure of a two-dimensional photonic crystal consisting of nearly free-electron metals is presented. The method requires only a two-dimensional discretization mesh for a given off-plane wave number k z although the off-plane propagation is a three-dimensional problem. The off-plane band structures of a square lattice of metallic rods with the high-frequency metallic model in the air are studied, and a complete band gap for some nonzero off-plane wave number k z is founded

  7. Investigations in anhydrous liquid ammonia. Reaction of group 2, 4, 5, 11 metal and actinoids compounds

    International Nuclear Information System (INIS)

    Woidy, Patrick

    2014-01-01

    compounds led to the characterization of pentaammine complexes of the dioxidouranium cation which also was shown to form di-, tetra- or octanuclear networks via oxygen bridges. In the tetra- and octanuclear compounds, penta- and hexavalent uranyl cations seem to be present in one compound. The reactions of TiCl 3 and UF 4 and the reaction of Cs[UO 2 (NO 3 ) 3 ] and CuF 2 , yielded the new compounds [UF(NH 3 ) 8 ]Cl 3 . 3,5 NH 3 and Cs[UO 2 F 3 (NH 3 ) 2 ], respectively. Both compounds demonstrated on the one hand the possibility of the exchange of halides and on the other hand the ability to accept fluoride ions. Additionally, a new method for the synthesis of uranyl chloride is presented. Experiments regarding the solubility of metal halides of group 2, 4, and 5 of the periodic table yielded the ammonia complexes of [Ca(NH 3 ) 8 ]X 2 (X = Br and I), [Ti(NH 3 ) 8 ]Cl 3 . 6 NH 3 , and mer-[VF 3 (NH 3 ) 3 ]. Instead of the expected tetragonal antiprism for the eightfold coordinated Ca 2+ ion, a coordination polyhedron best described as a twofold capped trigonal prism and for the Ti 3+ ion an untypical eightfold coordination can be observed. Characterization of the novel compounds was carried out by single crystal and powder X-ray diffraction, infrared and Raman spectroscopy, thermogravimetry and mass spectrometry.

  8. Nuclear spin-lattice relaxation in n -type insulating and metallic GaAs single crystals

    Science.gov (United States)

    Lu, J.; Hoch, M. J. R.; Kuhns, P. L.; Moulton, W. G.; Gan, Z.; Reyes, A. P.

    2006-09-01

    The coupling of electron and nuclear spins in n-GaAs changes significantly as the donor concentration n increases through the insulator-metal critical concentration nC˜1.2×1016cm-3 . The present measurements of the Ga71 relaxation rates W made as a function of magnetic field (1-13T) and temperature (1.5-300K) for semi-insulating GaAs and for three doped n-GaAs samples with donor concentrations n=5.9×1015 , 7×1016 , and 2×1018cm-3 , show marked changes in the relaxation behavior with n . Korringa-like relaxation is found in both metallic samples for T30K phonon-induced nuclear quadrupolar relaxation is dominant. The relaxation rate measurements permit determination of the electron probability density at Ga71 sites. A small Knight shift of -3.3ppm was measured on the most metallic (2×1018cm-3) sample using magic-angle spinning at room temperature. For the n=5.9×1015cm-3 sample, a nuclear relaxation model involving the Fermi contact hyperfine interaction, rapid spin diffusion, and exchange coupled local moments is proposed. While the relaxation rate behavior with temperature for the weakly metallic sample, n=7×1016cm-3 , is similar to that found for the just-insulating sample, the magnetic field dependence is quite different. For the 5.9×1015cm-3 sample, increasing the magnetic field leads to a decrease in the relaxation rate, while for the 7×1016cm-3 sample this results in an increase in the relaxation rate ascribed to an increase in the density of states at the Fermi level as the Landau level degeneracy is increased.

  9. Quantification of Ionic Diffusion in Lead Halide Perovskite Single Crystals

    KAUST Repository

    Peng, Wei; Aranda, Clara; Bakr, Osman; Garcia-Belmonte, Germà ; Bisquert, Juan; Guerrero, Antonio

    2018-01-01

    and electronic current. In this work the synthesis of low defect density monocrystalline MAPbBr3 (MA=Methyl ammonium) solar cells free of hole transport layer (HTL) suppresses the effect of electronic current. Impedance spectroscopy reveals the characteristic

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

    Science.gov (United States)

    Chen, Kun; Tüysüz, Harun

    2015-11-09

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

  11. 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....... As representative examples, a metal (Pt), an alloy (PtSn), and a metal carbide (beta-Mo2C) were supported on conventional and mesoporous zeolite carriers, respectively, and the degree of particle dispersion was compared by TEM imaging. On conventional zeolites, the supported material aggregated on the outer surface...

  12. Mono-alkylation of cyanoimide at a molybdenum(IV) diphosphinic center by alkyl halides: synthesis, cathodically induced isomerization and theoretical studies

    International Nuclear Information System (INIS)

    Alegria, Elisabete C.B.A.; Guedes da Silva, M. Fátima C.; Kuznetsov, Maxim L.; Martins, Luísa M.D.R.S.; Pombeiro, Armando J.L.

    2016-01-01

    Treatment of trans-[Mo(NCN) 2 (dppe) 2 ] with alkyl halides (RX) affords the alkylated cyanoimido-complexes trans-[Mo(NCN)(NCNR)(dppe) 2 ]X [R = Me, X = I (1); R = Et, X = I (2); R = Pr, X = I (3); R = i Pr, X = I (4); R = CH 2 Ph, X = Br (5); R = CH 2 C 6 H 4 NO 2 -4, X = Br (6)], while its reaction with the trimethyloxonium salt [Me 3 O][BF 4 ] affords trans-[Mo(NCN)(NCNMe)(dppe) 2 ][BF 4 ] (7). The reactions are accelerated by microwave irradiation. Complexes 1-7 were fully characterized by elemental analyses, IR and NMR spectroscopies, FAB-MS spectrometry, cyclic voltammetry and controlled potential electrolysis. The electrophilic addition to the exo-N atom of one of the cyanoimide ligands was confirmed by single crystal X-ray crystal analysis of 1. In aprotic medium and at a Pt electrode, compounds 1-7 undergo, apart from two consecutive single-electron reversible oxidations, also two successive single-electron reductions at different potentials, involving a cathodically induced trans-to-cis isomerization, following a double square ECEC-type mechanism which was studied in detail by digital simulation of the cyclic voltammograms. Quantum-chemical calculations indicate that the oxidations and reductions are mainly metal centered (although the latter with some involvement of the cyanoimide moieties), and that the reduction leads to a decrease of the relative stability of the trans isomer vs. the cis one.

  13. Rapid Microwave-Assisted Copper-Catalyzed Nitration of Aromatic Halides with Nitrite Salts

    International Nuclear Information System (INIS)

    Paik, Seung Uk; Jung, Myoung Geun

    2012-01-01

    A rapid and efficient copper-catalyzed nitration of aryl halides has been established under microwave irradiation. The catalytic systems were found to be the most effective with 4-substituted aryl iodides leading to nearly complete conversions. Nitration of aromatic compounds is one of the important industrial processes as underlying intermediates in the manufacture of a wide range of chemicals such as dyes, pharmaceuticals, agrochemicals and explosives. General methods for the nitration of aromatic compounds utilize strongly acidic conditions employing nitric acid or a mixture of nitric and sulfuric acids, sometimes leading to problems with poor regioselectivity, overnitration, oxidized byproducts and excess acid waste in many cases of functionalized aromatic compounds. Several other nitrating agents or methods avoiding harsh reaction conditions have been explored using metal nitrates, nitrite salts, and ionic liquid-mediated or microwave-assisted nitrations. Recently, copper or palladium compounds have been successfully used as efficient catalysts for the arylation of amines with aryl halides under mild conditions

  14. Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site

    KAUST Repository

    Chawla, Mohit; Credendino, Raffaele; Poater, Albert; Oliva, Romina M.; Cavallo, Luigi

    2015-01-01

    Using static and dynamics DFT methods we show that the Mg2+/F-/phosphate/water cluster at the center of the fluoride riboswitch is stable by its own and, once assembled, does not rely on any additional factor from the overall RNA fold. Further, we predict that the pKa of the water molecule bridging two Mg cations is around 8.4. We also demonstrate that the halide selectivity of the fluoride riboswitch is determined by the stronger Mg-F bond, which is capable of keeping together the cluster. Replacing F- with Cl- results in a cluster that is unstable under dynamic conditions. Similar conclusions on the structure and energetics of the cluster in the binding pocket of fluoride-inhibited pyrophosphatase suggest that the peculiarity of fluoride is in its ability to establish much stronger metal-halide bonds.

  15. Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site

    KAUST Repository

    Chawla, Mohit

    2015-01-14

    Using static and dynamics DFT methods we show that the Mg2+/F-/phosphate/water cluster at the center of the fluoride riboswitch is stable by its own and, once assembled, does not rely on any additional factor from the overall RNA fold. Further, we predict that the pKa of the water molecule bridging two Mg cations is around 8.4. We also demonstrate that the halide selectivity of the fluoride riboswitch is determined by the stronger Mg-F bond, which is capable of keeping together the cluster. Replacing F- with Cl- results in a cluster that is unstable under dynamic conditions. Similar conclusions on the structure and energetics of the cluster in the binding pocket of fluoride-inhibited pyrophosphatase suggest that the peculiarity of fluoride is in its ability to establish much stronger metal-halide bonds.

  16. Rapid Microwave-Assisted Copper-Catalyzed Nitration of Aromatic Halides with Nitrite Salts

    Energy Technology Data Exchange (ETDEWEB)

    Paik, Seung Uk; Jung, Myoung Geun [Keimyung University, Daegu (Korea, Republic of)

    2012-02-15

    A rapid and efficient copper-catalyzed nitration of aryl halides has been established under microwave irradiation. The catalytic systems were found to be the most effective with 4-substituted aryl iodides leading to nearly complete conversions. Nitration of aromatic compounds is one of the important industrial processes as underlying intermediates in the manufacture of a wide range of chemicals such as dyes, pharmaceuticals, agrochemicals and explosives. General methods for the nitration of aromatic compounds utilize strongly acidic conditions employing nitric acid or a mixture of nitric and sulfuric acids, sometimes leading to problems with poor regioselectivity, overnitration, oxidized byproducts and excess acid waste in many cases of functionalized aromatic compounds. Several other nitrating agents or methods avoiding harsh reaction conditions have been explored using metal nitrates, nitrite salts, and ionic liquid-mediated or microwave-assisted nitrations. Recently, copper or palladium compounds have been successfully used as efficient catalysts for the arylation of amines with aryl halides under mild conditions.

  17. Inductive crystal field control in layered metal oxides with correlated electrons

    International Nuclear Information System (INIS)

    Balachandran, P. V.; Cammarata, A.; Rondinelli, J. M.; Nelson-Cheeseman, B. B.; Bhattacharya, A.

    2014-01-01

    We show that the NiO 6 crystal field energies can be tailored indirectly via heterovalent A cation ordering in layered (La,A)NiO 4 Ruddlesden–Popper (RP) oxides, where A = Sr, Ca, or Ba, using density functional calculations. We leverage as a driving force the electrostatic interactions between charged [LaO] 1+ and neutral [AO] 0 planes to inductively tune the Ni–O bond distortions, without intentional doping or epitaxial strain, altering the correlated d-orbital energies. We use this strategy to design cation ordered LaCaNiO 4 and LaBaNiO 4 with distortions favoring enhanced Ni e g orbital polarization, and find local electronic structure signatures analogous to those in RP La-cuprates, i.e., parent phases of the high-temperature superconducting oxides

  18. Inductive crystal field control in layered metal oxides with correlated electrons

    Energy Technology Data Exchange (ETDEWEB)

    Balachandran, P. V.; Cammarata, A.; Rondinelli, J. M., E-mail: jrondinelli@nortwestern.edu [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104 (United States); Nelson-Cheeseman, B. B. [School of Engineering, University of St. Thomas, St. Paul, Minnesota 55105 (United States); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Bhattacharya, A. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2014-07-01

    We show that the NiO{sub 6} crystal field energies can be tailored indirectly via heterovalent A cation ordering in layered (La,A)NiO{sub 4} Ruddlesden–Popper (RP) oxides, where A = Sr, Ca, or Ba, using density functional calculations. We leverage as a driving force the electrostatic interactions between charged [LaO]{sup 1+} and neutral [AO]{sup 0} planes to inductively tune the Ni–O bond distortions, without intentional doping or epitaxial strain, altering the correlated d-orbital energies. We use this strategy to design cation ordered LaCaNiO{sub 4} and LaBaNiO{sub 4} with distortions favoring enhanced Ni e{sub g} orbital polarization, and find local electronic structure signatures analogous to those in RP La-cuprates, i.e., parent phases of the high-temperature superconducting oxides.

  19. 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

  20. Unraveling halide hydration: A high dilution approach.

    Science.gov (United States)

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

    2014-07-28

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

  1. 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.

  2. 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.

  3. Crystal Engineering of Naphthalenediimide-Based Metal-Organic Frameworks: Structure-Dependent Lithium Storage.

    Science.gov (United States)

    Tian, Bingbing; Ning, Guo-Hong; Gao, Qiang; Tan, Li-Min; Tang, Wei; Chen, Zhongxin; Su, Chenliang; Loh, Kian Ping

    2016-11-16

    Metal-organic frameworks (MOFs) possess great structural diversity because of the flexible design of linker groups and metal nodes. The structure-property correlation has been extensively investigated in areas like chiral catalysis, gas storage and absorption, water purification, energy storage, etc. However, the use of MOFs in lithium storage is hampered by stability issues, and how its porosity helps with battery performance is not well understood. Herein, through anion and thermodynamic control, we design a series of naphthalenediimide-based MOFs 1-4 that can be used for cathode materials in lithium-ion batteries (LIBs). Complexation of the N,N'-di(4-pyridyl)-1,4,5,8-naphthalenediimide (DPNDI) ligand and CdX 2 (X = NO 3 - or ClO 4 - ) produces complexes MOFs 1 and 2 with a one-dimensional (1D) nonporous network and a porous, noninterpenetrated two-dimensional (2D) square-grid structure, respectively. With the DPNDI ligand and Co(NCS) 2 , a porous 1D MOF 3 as a kinetic product is obtained, while a nonporous, noninterpenetrated 2D square-grid structure MOF 4 as a thermodynamic product is formed. The performance of LIBs is largely affected by the stability and porosity of these MOFs. For instance, the initial charge-discharge curves of MOFs 1 and 2 show a specific capacity of ∼47 mA h g -1 with a capacity retention ratio of >70% during 50 cycles at 100 mA g -1 , which is much better than that of MOFs 3 and 4. The better performances are assigned to the higher stability of Cd(II) MOFs compared to that of Co(II) MOFs during the electrochemical process, according to X-ray diffraction analysis. In addition, despite having the same Cd(II) node in the framework, MOF 2 exhibits a lithium-ion diffusion coefficient (D Li ) larger than that of MOF 1 because of its higher porosity. X-ray photoelectron spectroscopy and Fourier transform infrared analysis indicate that metal nodes in these MOFs remain intact and only the DPNDI ligand undergoes the revisible redox reaction

  4. Intregrating metallic wiring with three-dimensional polystyrene colloidal crystals using electron-beam lithography and three-dimensional laser lithography

    International Nuclear Information System (INIS)

    Tian, Yaolan; Isotalo, Tero J; Konttinen, Mikko P; Li, Jiawei; Heiskanen, Samuli; Geng, Zhuoran; Maasilta, Ilari J

    2017-01-01

    We demonstrate a method to fabricate narrow, down to a few micron wide metallic leads on top of a three-dimensional (3D) colloidal crystal self-assembled from polystyrene (PS) nanospheres of diameter 260 nm, using electron-beam lithography. This fabrication is not straightforward due to the fact that PS nanospheres cannot usually survive the harsh chemical treatments required in the development and lift-off steps of electron-beam lithography. We solve this problem by increasing the chemical resistance of the PS nanospheres using an additional electron-beam irradiation step, which allows the spheres to retain their shape and their self-assembled structure, even after baking to a temperature of 160 °C, the exposure to the resist developer and the exposure to acetone, all of which are required for the electron-beam lithography step. Moreover, we show that by depositing an aluminum oxide capping layer on top of the colloidal crystal after the e-beam irradiation, the surface is smooth enough so that continuous metal wiring can be deposited by the electron-beam lithography. Finally, we also demonstrate a way to self-assemble PS colloidal crystals into a microscale container, which was fabricated using direct-write 3D laser-lithography. Metallic wiring was also successfully integrated with the combination of a container structure and a PS colloidal crystal. Our goal is to make a device for studies of thermal transport in 3D phononic crystals, but other phononic or photonic crystal applications could also be envisioned. (paper)

  5. Influence of crystal field excitations on thermal and electrical resistivity of normal rare-earth metals

    Energy Technology Data Exchange (ETDEWEB)

    Durczewski, K.; Gajek, Z.; Mucha, J. [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wroclaw (Poland)

    2014-11-15

    A simple formula describing the influence of the crystalline electric field free-ion excitations on the temperature dependence of the contribution of the s-f scattering to the thermal resistivity of normal rare-earth metals is presented. The corresponding formula for the electrical resistivity is also given and compared to the one being currently used. Theoretical electron-phonon scattering contributions derived in earlier papers and constant impurity scattering contributions are added to the derived s-f contribution formulae in order to fit the total electrical and thermal resistivity represented as functions of the temperature to experimental dependences on the temperature for DyIn{sub 3} and in this way to manifest applicability of the derived formulae to real materials. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Influence of crystal field excitations on thermal and electrical resistivity of normal rare-earth metals

    International Nuclear Information System (INIS)

    Durczewski, K.; Gajek, Z.; Mucha, J.

    2014-01-01

    A simple formula describing the influence of the crystalline electric field free-ion excitations on the temperature dependence of the contribution of the s-f scattering to the thermal resistivity of normal rare-earth metals is presented. The corresponding formula for the electrical resistivity is also given and compared to the one being currently used. Theoretical electron-phonon scattering contributions derived in earlier papers and constant impurity scattering contributions are added to the derived s-f contribution formulae in order to fit the total electrical and thermal resistivity represented as functions of the temperature to experimental dependences on the temperature for DyIn 3 and in this way to manifest applicability of the derived formulae to real materials. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Defects in metal crystals. Progress report, May 1, 1975--April 30, 1976

    International Nuclear Information System (INIS)

    Seidman, D.N.

    1976-02-01

    Emphasis was on use of different irradiating species (300-700 eV Xe + ions, 20-30 keV W + ions, 20-30 keV Mo + ions, and fast neutrons) to introduce both vacancies and interstitials in Mo, W, Au, Pt--(Au), W--(Re), Mo(Ti), Ni 4 Mo, and low-swelling and commercial 316 stainless steels. The following are reported: (A) an in-situ field-ion microscope study of ion-irradiated tungsten and tungsten alloys (W-Re) (recovery in Stages I and II); (B) a review of Stages I to IV of irradiated or quenched tungsten and tungsten alloys by field-ion microscopy; (C) a review of field-ion microscope studies of the defect structure of the primary state of damage of irradiated metals; (D) an in-situ field-ion microscope study of the recovery behavior of ion-irradiated molybdenum in Stages I and II; (E) a field-ion microscope study of the recovery behavior of Stage II in ion-irradiated platinum-0.10, 0.62 and 4.0 at. percent gold alloys; (F) a new technique for focused-collision sequence range measurements; (G) atom-probe field-ion microscopy (improvements, results on W alloys, Mo alloys [Mo, TZM, Mo--Ti], low-swelling stainless steel alloy); (H) range of a focused collision replacement sequence in ordered alloys; and (I) interaction of self-interstitial atoms with impurity gas solute atoms in refractory metals. 11 fig, 5 tables, 37 references

  8. The influence of crystal defects on the elastic properties of tungsten metals

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hongyan [School of Physical Science Technology, Southwest Jiaotong University, Chengdu 610031 (China); Huang, Zheng, E-mail: zhhuang@home.swjtu.edu.cn [School of Physical Science Technology, Southwest Jiaotong University, Chengdu 610031 (China); Wen, Shulong [Laboratory of Advanced Technology of Materials (Ministry of Education),Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu 610031 (China); Chen, Ji ming; Liu, Xiang [Fusion Science of Southwestern Institute of Physics, Chengdu, Sichuan 610041 (China); Pan, Min, E-mail: mpan@home.swjtu.edu.cn [Laboratory of Advanced Technology of Materials (Ministry of Education),Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu 610031 (China); Western Superconducting Technologies Co., Ltd., Xi’an, Shanxi 710018 (China); Zhao, Yong [Laboratory of Advanced Technology of Materials (Ministry of Education),Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu 610031 (China)

    2016-11-01

    Highlights: • The energy of FCC structure generated during the plastic deformation was higher than that of the BCC structure, thus the system energy was consumed. • The energy of HCP lattice was higher than that of FCC lattices. The two kinds of lattices form the twin belt with a long range periodic order, and so the system stress changed periodically with the strain. • The growth of the disordered structure not only destroyed the long range periodic structure of the twin belt, but also produced a cavity, which absorbed a large amount of energy and finally made the system fractured. • The effect of temperature on the fracture was equivalent to the effect of the vacancy, and the correlation between temperature and vacancy was quadratic. - Abstract: The four stretching process stages of the elastic, plastic, stalemate, and fracture were represented for the metal tungsten by using molecular dynamics method. The young's modulus, yield strain and yield stress were calculated. The microscopic mechanics of the stretching process is analyzed. The energy of FCC and HCP generated was higher than that of BCC, so that the energy of the system increased, and the stress level was lower in the plastic deformation stage. In the late stage of plastic deformation, the growth of the twin belt was of long range ordered periodic structure, which made the system stress change periodically. In the Stalemate Stage of deformation, the other disordered structure, setting in the HCP structure of the twin belt, growed to absorb energy and generate cavity under stress and makes the lattice fracture. The yield stress of metal tungsten decreases monotonically with temperature and vacancy. The effects of temperature and vacancy on the lattice fracture were discussed.

  9. Syntheses, crystal structures and fluorescent properties of three metal- tris(4‧-carboxybiphenyl)amine frameworks

    Science.gov (United States)

    Yuan, Lv-Bing; He, Yan-Ping; Xu, Hai; Zhang, Jian

    2017-11-01

    Triphenylamine and its derivatives have been widely concerned because of their excellent performance in the area of the photoelectric functional material. In this work, we chose a nanosized tris(4‧-carboxybiphenyl)amine (H3TPA) as organic ligand. By employing the H3TPA ligand to assemble with M2+ (M = Zn, Cd, and Pb) ions, respectively, three metal-organic frameworks (FIR-43 to FIR-45, FIR denotes Fujian Institute of Research) have been synthesized under different solvent systems. FIR-43 exhibits a 3-connected two-dimensional (2D) network based on mononuclear [Zn(COO)3] second building unit (SBU). Unlike the anionic framework FIR-43, FIR-44 is a neutral 2D layer constructed by trinuclear [Cd3(COO)6] SBU and displays a (3,6)-NbSe2 topology structure. If the weak Pb-O interactions in the range of 2.79-2.88 Å are considered, FIR-45 is a neutral 3D framework built by hexanuclear [Pb6(DMAE)6(COO)6] SBU (DMAE = N,N-dimethylethanolamine) and represents a (3,6)-connected (4·82)2(42·811·102) topology. Thermogravimetric analyses (TGA) and X-ray powder diffraction (PXRD) patterns were used to evaluate their thermal stability and phase purity. Photoluminescence studies showed that they exhibited strong emitting bands in the visible region with high quantum yields and long luminescent lifetimes. The assembly between nanosized tris((4-carboxyl)phenylduryl)amine ligand and M2+ (M = Zn, Cd, and Pb) ions leads to three new metal-organic frameworks, which show excellent fluorescent properties.

  10. Enhanced moments of Eu in single crystals of the metallic helical antiferromagnet EuCo2 -yAs2

    Science.gov (United States)

    Sangeetha, N. S.; Anand, V. K.; Cuervo-Reyes, Eduardo; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

    2018-04-01

    The compound EuCo2 -yAs2 with the tetragonal ThCr2Si2 structure is known to contain Eu+2 ions with spin S =7/2 that order below a temperature TN≈47 K into an antiferromagnetic (AFM) proper helical structure with the ordered moments aligned in the tetragonal a b plane, perpendicular to the helix axis along the c axis, with no contribution from the Co atoms. Here we carry out a detailed investigation of the properties of single crystals. We consistently find about 5% vacancies on the Co site from energy-dispersive x-ray analysis and x-ray diffraction refinements. Enhanced ordered and effective moments of the Eu spins are found in most of our crystals. Electronic structure calculations indicate that the enhanced moments arise from polarization of the d bands, as occurs in ferromagnetic Gd metal. Electrical resistivity measurements indicate metallic behavior. The low-field in-plane magnetic susceptibilities χa b(T theory (MFT), and the Eu-Eu exchange interactions Ji j are extracted from the fits. High-field magnetization M data for magnetic fields H ∥a b reveal what appears to be a first-order spin-flop transition followed at higher field by a second-order metamagnetic transition of unknown origin, and then by another second-order transition to the paramagnetic (PM) state. For H ∥c , the magnetization shows only a second-order transition from the canted AFM to the PM state, as expected. The critical fields for the AFM to PM transition are in approximate agreement with the predictions of MFT. Heat capacity Cp measurements in zero and high H are reported. Phase diagrams for H ∥c and H ∥a b versus T are constructed from the high-field M (H ,T ) and Cp(H ,T ) measurements. The magnetic part Cmag(T ,H =0 ) of Cp(T ,H =0 ) is extracted and is fitted rather well below TN by MFT, although dynamic short-range AFM order is apparent in Cmag(T ) up to about 70 K, where the molar entropy attains its high-T limit of R ln8 .

  11. Vibrational Spectra of Discrete UO22+ Halide Complexes in the Gas Phase

    International Nuclear Information System (INIS)

    Groenewold, G.S.; Van Stipdonk, Michael J.; Oomens, Jos; De Jong, Wibe A.; Gresham, Garold L.; Mcilwain, Michael

    2010-01-01

    The intrinsic binding of halide ions to the metal center in the uranyl molecule is a topic of ongoing research interest in both the actinide separations and theoretical communities. Investigations of structure in the condensed phases is frequently obfuscated by solvent interactions that can alter ligand binding and spectroscopic properties. The approach taken in this study is to move the uranyl halide complexes into the gas phase where they are free from solvent interactions, and then interrogate their vibrational spectroscopy using infrared multiple photon dissociation (IRMPD). The spectra of cationic coordination complexes having the composition (UO 2 (X)(ACO) 3 ) + (where X = F, Cl, Br and I; ACO = acetone) were acquired using electrospray for ion formation, and monitoring the ion signal from the photoelimination of ACO ligands. The studies showed that the asymmetric ν 3 UO 2 frequency was insensitive to halide identity as X was varied from Cl to I, suggesting that in these pseudo-octahedral complexes, changing the nucleophilicity of the halide did not appreciably alter its binding in the complex. The ν 3 peak in the spectrum of the F-containing complex was 9 cm -1 lower indicating stronger coordination in this complex. Similarly the ACO carbonyl stretches showed that the C=O frequency was relatively insensitive to the identity of the halide, although a modest shift to higher wavenumber was seen for the complexes with the more nucleophilic anions, consistent with the idea that they loosen solvent binding. Surprisingly, the ν 1 stretch was activated when the softer anions Cl, Br and I were present in the complexes. IR studies of the anionic complexes (UO 2 X 3 ) - (where X = Cl - , Br - and I - ) compared the ν 3 UO 2 modes versus halide, and showed that the ν 3 values decreased with increasing anion nucleophilicity. This observation was consistent with DFT calculations that indicated that (UO 2 X 2 ) - -X, and (UO 2 X 2 )·-X - dissociation energies

  12. High Pressure Optical Studies of the Thallous Halides and of Charge-Transfer Complexes

    Science.gov (United States)

    Jurgensen, Charles Willard

    High pressure was used to study the insulator -to-metal transition in sulfur and the thallous halides and to study the intermolecular interactions in charge -transfer complexes. The approach to the band overlap insulator -to-metal transition was studied in three thallous halides and sulfur by optical absorption measurements of the band gap as a function of pressure. The band gap of sulfur continuously decreases with pressure up to the insulator -to-metal transition which occurs between 450 and 485 kbars. The results on the thallous halides indicate that the indirect gap decreases more rapidly than the direct gap; the closing of the indirect gap is responsible for the observed insulator -to-metal transitions. High pressure electronic and vibrational spectroscopic measurements on the solid-state complexes of HMB-TCNE were used to study the intermolecular interactions of charge -transfer complexes. The vibrational frequency shifts indicate that the degree of charge transfer increases with pressure which is independently confirmed by an increase in the molar absorptivity of the electronic charge-transfer peak. Induction and dispersion forces contribute towards a red shift of the charge-transfer peak; however, charge-transfer resonance contributes toward a blue shift and this effect is dominant for the HMB-TCNE complexes. High pressure electronic spectra were used to study the effect of intermolecular interactions on the electronic states of TCNQ and its complexes. The red shifts with pressure of the electronic spectra of TCNQ and (TCNQ)(' -) in polymer media and of crystalline TCNQ can be understood in terms of Van der Waals interactions. None of the calculations which considered intradimer distance obtained the proper behavior for either the charge-transfer of the locally excited states of the complexes. The qualitative behavior of both states can be interpreted as the effect of increased mixing of the locally excited and charge transfer states.

  13. The coacervation of aqueous solutions of tetraalkylammonium halides

    International Nuclear Information System (INIS)

    Mugnier de Trobriand, Anne.

    1979-09-01

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

  14. The impact of elastic and plastic strain on relaxation and crystallization of Pd–Ni–P-based bulk metallic glasses

    International Nuclear Information System (INIS)

    Mitrofanov, Yu.P.; Peterlechner, M.; Binkowski, I.; Zadorozhnyy, M.Yu.; Golovin, I.S.; Divinski, S.V.; Wilde, G.

    2015-01-01

    The effects of deformation and subsequent heat treatment on the low-temperature heat capacity, enthalpy relaxation rate and mechanical losses of two Pd–Ni–P-based bulk metallic glasses of slightly different compositions and different thermal stabilities have been investigated. It was found that the crystallization temperatures decreased significantly with imposed strain and the effect was more pronounced for the alloy with a higher thermal stability. The boson heat capacity peak increases with increasing strain in both alloys. However, after annealing treatments above room temperature, it relaxes to a lower enthalpy state as compared to that of the as-quenched state for the alloy with a lower thermal stability. The existence of two counteracting processes that might be related to different shear band structures within one homogeneously deformed sample is suggested. These results agree with the internal friction data, which indicate different regimes of mechanical damping as a function of the strain amplitude, while the critical amplitude of a transition between the regimes depends on the imposed strain. The results are interpreted within the energy landscape approach and advocate that the composition-dependent local atomic configurations affect significantly the response of the glass to an applied strain

  15. Radiation Damage in Scintillating Crystals

    CERN Document Server

    Zhu Ren Yuan

    1998-01-01

    Crystal Calorimetry in future high energy physics experiments faces a new challenge to maintain its precision in a hostile radiation environment. This paper discusses the effects of radiation damage in scintillating crystals, and concludes that the predominant radiation damage effect in crystal scintillators is the radiation induced absorption, or color center formation, not the loss of the scintillation light yield. The importance of maintaining crystal's light response uniformity and the feasibility to build a precision crystal calorimeter under radiation are elaborated. The mechanism of the radiation damage in scintillating crystals is also discussed. While the damage in alkali halides is found to be caused by the oxygen or hydroxyl contamination, it is the structure defects, such as oxygen vacancies, cause damage in oxides. Material analysis methods used to reach these conclusions are presented in details.

  16. Crystal plasticity-based modeling for predicting anisotropic behaviour and formability of metallic materials

    International Nuclear Information System (INIS)

    Pham, Son; Jeong, Youngung; Creuziger, Adam; Iadicola, Mark; Foecke, Tim; Rollett, Anthony

    2016-01-01

    Metallic materials often exhibit anisotropic behaviour under complex load paths because of changes in microstructure, e.g., dislocations and crystallographic texture. In this study, we present the development of constitutive model based on dislocations, point defects and texture in order to predict anisotropic response under complex load paths. In detail, dislocation/solute atom interactions were considered to account for strain aging and static recovery. A hardening matrix based on the interaction of dislocations was built to represent the cross-hardening of different slip systems. Clear differentiation between forward and backward slip directions of dislocations was made to describe back stresses during path changes. In addition, we included dynamic recovery in order to better account for large plastic deformation. The model is validated against experimental data for AA5754-O with path changes, e.g., Figure 1 [1] Another effort is to include microstructure in forming predictions with a minimal increase in computational time. This effort enables comprehensive investigations of the influence of texture-induced anisotropy on formability [2]. Application of these improvements to predict forming limits of various BCC textures, such as γ, ρ, α, η and ϵ fibers and a random (R) texture. These simulations demonstrate that the crystallographic texture has significant (both positive and negative) effects on the forming limit diagrams (Figure 2). For example, the y fiber texture, that is often sought through thermo-mechanical processing due to high r-value, had the highest forming limit in the balanced biaxial strain path but the lowest forming limit under the plane strain path among textures under consideration. (paper)

  17. Vacancies and atomic processes in intermetallics - From crystals to quasicrystals and bulk metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Hans-Eckhardt [Institute of Theoretical and Applied Physics, Stuttgart University, Pfaffenwaldring 57, 70569 Stuttgart (Germany); Baier, Falko [Voith Turbo Comp., Alexanderstr. 2, 89552 Heidenheim (Germany); Mueller, Markus A. [GFT Technologies A. G., Filderhauptstr. 142, 70599 Stuttgart (Germany); Reichle, Klaus J. [Philipp-Matthaeus-Hahn School, Jakob-Beutter-Str. 15, 72336 Balingen (Germany); Reimann, Klaus [NXP Semiconductors, Central Research and Development, High Tech Campus 4, 5656 AE Eindhoven (Netherlands); Rempel, Andrey A. [Institute of Solid State Chemistry, Russian Academy of Sciences, Ul. Pervomaiskaya 91, 620041 Ekaterinburg (Russian Federation); Sato, Kiminori [Tokyo Gakugei University, Nukuikita 4-1-1, Koganei, Tokyo 184-8501 (Japan); Ye, Feng [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xue Yuan Road, Beijing 100083 (China); Zhang, Xiangyi [Yanshan University, Qinhuangdao 066004 (China); Sprengel, Wolfgang [Institute of Materials Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria)

    2011-10-15

    A review is given on atomic vacancies in intermetallic compounds. The intermetallic compounds cover crystalline, quasicrystalline, and bulk metallic glass (BMG) structures. Vacancies can be specifically characterized by their positron lifetimes, by the coincident measurement of the Doppler broadening of the two quanta emitted by positron-electron annihilation, or by time-differential dilatometry. By these techniques, high concentrations and low mobilities of thermal vacancies were found in open-structured B2 intermetallics such as FeAl or NiAl, whereas the concentrations of vacancies are low and their mobilities high in close-packed structure as, e.g., L1{sub 2}-Ni{sub 3}Al. The activation volumes of vacancy formation and migration are determined by high-pressure experiments. The favorable sublattice for vacancy formation is found to be the majority sublattice in Fe{sub 61}Al{sub 39} and in MoSi{sub 2}. In the icosahedral quasicrystal Al{sub 70}Pd{sub 21}Mn{sub 9} the thermal vacancy concentration is low, whereas in the BMG Zr{sub 57}Cu{sub 15.4}Ni{sub 12.6}Nb{sub 3}Al{sub 10} thermal vacancies are found in high concentrations with low mobilities. This may determine the basic mechanisms of the glass transition. Making use of the experimentally determined vacancy data, the main features of atomic diffusion studies in crystalline intermetallics, in quasicrystals, and in BMGs can be understood. Manfred Faehnle and his group have substantially contributed to the theoretical understanding of vacancies and diffusion mechanisms in intermetallics. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. 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

  19. 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

  20. Detection of heavy-metal ions using liquid crystal droplet patterns modulated by interaction between negatively charged carboxylate and heavy-metal cations.

    Science.gov (United States)

    Han, Gyeo-Re; Jang, Chang-Hyun

    2014-10-01

    Herein, we demonstrated a simple, sensitive, and rapid label-free detection method for heavy-metal (HM) ions using liquid crystal (LC) droplet patterns on a solid surface. Stearic-acid-doped LC droplet patterns were spontaneously generated on an n-octyltrichlorosilane (OTS)-treated glass substrate by evaporating a solution of the nematic LC, 4-cyano-4'-pentylbiphenyl (5CB), dissolved in heptane. The optical appearance of the droplet patterns was a dark crossed texture when in contact with air, which represents the homeotropic orientation of the LC. This was caused by the steric interaction between the LC molecules and the alkyl chains of the OTS-treated surface. The dark crossed appearance of the acid-doped LC patterns was maintained after the addition of phosphate buffered saline (PBS) solution (pH 8.1 at 25°C). The deprotonated stearic-acid molecules self-assembled through the LC/aqueous interface, thereby supporting the homeotropic anchoring of 5CB. However, the optical image of the acid-doped LC droplet patterns incubated with PBS containing HM ions appeared bright, indicating a planar orientation of 5CB at the aqueous/LC droplet interface. This dark to bright transition of the LC patterns was caused by HM ions attached to the deprotonated carboxylate moiety, followed by the sequential interruption of the self-assembly of the stearic acid at the LC/aqueous interface. The results showed that the acid-doped LC pattern system not only enabled the highly sensitive detection of HM ions at a sub-nanomolar concentration but it also facilitated rapid detection (<10 min) with simple procedures. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. 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.

  2. 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

  3. Synthesis and crystal structure of alkali metal diamido dioxosilicates M2SiO2(NH2)2 with M corresponds to K, Rb and Cs

    International Nuclear Information System (INIS)

    Jacobs, H.; Mengis, H.

    1993-01-01

    SiO 2 - α-quartz - reacts with alkali metal amides MNH 2 (M corresponds to K, Rb, and Cs) in molar ratios from 1:2 to 1:10 at 450 C ≤ T ≤ 600 C and P(NH 3 ) = 6 kbar in autoclaves to diamidodioxosilicates M[SiO 2 (NH 2 ) 2 ]. Crystals of the colourless compounds which hydrolyze rapidly were investigated by X-ray methods. (orig.)

  4. Pressure effect on crystallization of metallic glass Fe72P11C6Al5B4Ga2 alloy with wide supercooled liquid region

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Olsen, J. S.; Gerward, Leif

    2000-01-01

    The effect of pressure on the crystallization behavior of metallic glass Fe72P11C6Al5B4Ga2 alloy with a wide supercooled liquid region has been investigated by in situ high-pressure and high-temperature x-ray diffraction measurements using synchrotron radiation. In the pressure range from 0 to 2...... mobility and changes of the Gibbs free energy of various phases with pressure. ©2000 American Institute of Physics....

  5. 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

  6. The growth of high density network of MOF nano-crystals across macroporous metal substrates - Solvothermal synthesis versus rapid thermal deposition

    Science.gov (United States)

    Maina, James W.; Gonzalo, Cristina Pozo; Merenda, Andrea; Kong, Lingxue; Schütz, Jürg A.; Dumée, Ludovic F.

    2018-01-01

    Fabrication of metal organic framework (MOF) films and membranes across macro-porous metal substrates is extremely challenging, due to the large pore sizes across the substrates, poor wettability, and the lack of sufficient reactive functional groups on the surface, which prevent high density nucleation of MOF crystals. Herein, macroporous stainless steel substrates (pore size 44 × 40 μm) are functionalized with amine functional groups, and the growth of ZIF-8 crystals investigated through both solvothermal synthesis and rapid thermal deposition (RTD), to assess the role of synthesis routes in the resultant membranes microstructure, and subsequently their performance. Although a high density of well interconnected MOF crystals was observed across the modified substrates following both techniques, RTD was found to be a much more efficient route, yielding high quality membranes under 1 h, as opposed to the 24 h required for solvothermal synthesis. The RTD membranes also exhibited high gas permeance, with He permeance of up to 2.954 ± 0.119 × 10-6 mol m-2 s-1 Pa-1, and Knudsen selectivities for He/N2, Ar/N2 and CO2/N2, suggesting the membranes were almost defect free. This work opens up route for efficient fabrication of MOF films and membranes across macro-porous metal supports, with potential application in electrically mediated separation applications.

  7. Structural characterization of framework-gas interactions in the metal-organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction.

    Science.gov (United States)

    Gonzalez, Miguel I; Mason, Jarad A; Bloch, Eric D; Teat, Simon J; Gagnon, Kevin J; Morrison, Gregory Y; Queen, Wendy L; Long, Jeffrey R

    2017-06-01

    The crystallographic characterization of framework-guest interactions in metal-organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with adsorption behavior. Here, techniques developed for in situ single-crystal X-ray diffraction experiments on porous crystals have enabled the direct observation of CO, CH 4 , N 2 , O 2 , Ar, and P 4 adsorption in Co 2 (dobdc) (dobdc 4- = 2,5-dioxido-1,4-benzenedicarboxylate), a metal-organic framework bearing coordinatively unsaturated cobalt(ii) sites. All these molecules exhibit such weak interactions with the high-spin cobalt(ii) sites in the framework that no analogous molecular structures exist, demonstrating the utility of metal-organic frameworks as crystalline matrices for the isolation and structural determination of unstable species. Notably, the Co-CH 4 and Co-Ar interactions observed in Co 2 (dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal-CH 4 interaction and the first crystallographically characterized metal-Ar interaction. Analysis of low-pressure gas adsorption isotherms confirms that these gases exhibit mainly physisorptive interactions with the cobalt(ii) sites in Co 2 (dobdc), with differential enthalpies of adsorption as weak as -17(1) kJ mol -1 (for Ar). Moreover, the structures of Co 2 (dobdc)·3.8N 2 , Co 2 (dobdc)·5.9O 2 , and Co 2 (dobdc)·2.0Ar reveal the location of secondary (N 2 , O 2 , and Ar) and tertiary (O 2 ) binding sites in Co 2 (dobdc), while high-pressure CO 2 , CO, CH 4 , N 2 , and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures.

  8. 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.

  9. Crystallization in Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass under pressure

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Zhou, T.J.; Rasmussen, Helge Kildahl

    2000-01-01

    The effect of pressure on the crystallization behavior of the bulk metallic glass-forming Zr41.2Ti13.8Cu12.5Ni10Be22.5 alloy with a wide supercooled liquid region has been investigated by in situ high-pressure and high-temperature x-ray powder diffraction measurements using synchrotron radiation......)], reporting a decrease of the crystallization temperature under pressure in a pressure range of 0-6 GPa for the bulk glass Zr41Ti14Cu12.5Ni9Be22.5C1 alloy. Compressibility with a volume reduction of approximately 22% at room temperature does not induce crystallization in the Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk...... glass alloy. This indicates that the densification effect induced by pressure in the pressure range investigated plays a minor role in the crystallization behavior of this bulk glass alloy. The different crystallization behavior of the carbon-free and the carbon-containing glassy alloys has been...

  10. Excitonic and electron-hole mechanisms of the creation of Frenkel defect in alkali halides

    International Nuclear Information System (INIS)

    Lushchik, A.; Kirm, M.; Lushchik, Ch.; Vasil'chenko, E.

    2000-01-01

    Excitonic and electron-hole (e-h) mechanisms of stable F centre creation by VUV radiation in alkali halide crystals are discussed. In KCl at 4.2 K, the efficiency of stable F-H pair creation is especially high at the direct optical formation of triplet excitons with n=1. At 200-400 K, the creation processes of stable F centres in KCl are especially efficient at the formation of one-halide exciton in the Urbach tail of an exciton absorption. In KCl and KBr, the decay of a cation exciton (∼20 eV) causes the formation of two e-h pairs, while in NaCl a cation exciton (33.5 eV) decays into two e-h and an anion exciton. An elastic uniaxial stress of a crystal excited by VUV radiation decreases the mean free path of excitons before their self-trapping (KI) and increases the mean free path of hot holes before self-trapping (NaCl)

  11. New orientation formation and growth during primary recrystallization in stable single crystals of three face-centred cubic metals

    International Nuclear Information System (INIS)

    Miszczyk, M.; Paul, H.; Driver, J.H.; Maurice, C.

    2015-01-01

    Graphical abstract: For Ni, Cu and Cu-2%Al and (1 1 0)[0 0 −1] and (1 1 0)[1 −1 −2] initial orientations at the initial stages of recrystallization, the appearance of a specific number of new orientation groups of new grains has been demonstrated. The orientation relations across the recrystallization front are characterized by a high proportion of angles in the range 25–35° and 45–55° around axes mostly grouped about the 〈1 2 2〉, 〈1 1 1〉, 〈1 2 3〉 and 〈1 1 2〉 directions. A local minimum was noted for the disorientation angle densities close to 40° in all cases. For a single isolated nucleus of uniform orientation, the rotation axes are usually grouped around one of the normals of all four {1 1 1} planes but do not (or only rarely) coincide with them. The orientation of the growing new grain quickly transforms through the formation of a first generation twins. The most frequent situation occurs when the normal of the twinning face plane is situated near the rotation axis, around which the crystal lattice of the ‘primary nuclei’ rotates. Based on the anisotropy of grain growth a possible mechanism of orientation generation and grain growth by thermally activation movement of dislocation families, on {1 1 1} planes is proposed. - Abstract: The early stages of recrystallization have been systematically characterized in single crystal metals of medium and low stacking fault energy. Goss {1 1 0}〈0 0 1〉 and brass {1 1 0}〈1 1 2〉 oriented samples of Ni, Cu and Cu–2 wt.% Al alloy were deformed in a channel die to a logarithmic strain of 0.51 to develop a homogeneous structure composed of two sets of symmetrical primary microbands and then lightly annealed. Scanning electron microscopy/electron backscattered diffraction analyses demonstrate a strong relation between as-deformed orientations and the limited number of recrystallized grain orientations. The disorientation angles across the recrystallization front are mostly grouped in

  12. 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.

  13. Solvent-induced controllable synthesis, single-crystal to single-crystal transformation and encapsulation of Alq3 for modulated luminescence in (4,8)-connected metal-organic frameworks.

    Science.gov (United States)

    Lan, Ya-Qian; Jiang, Hai-Long; Li, Shun-Li; Xu, Qiang

    2012-07-16

    In this work, for the first time, we have systematically demonstrated that solvent plays crucial roles in both controllable synthesis of metal-organic frameworks (MOFs) and their structural transformation process. With solvent as the only variable, five new MOFs with different structures have been constructed, in which one MOF undergoes solvent-induced single-crystal to single-crystal (SCSC) transformation that involves not only solvent exchange but also the cleavage and formation of coordination bonds. Particularly, a significant crystallographic change has been realized through an unprecedented three-step SCSC transformation process. Furthermore, we have demonstrated that the obtained MOF could be an excellent host for chromophores such as Alq3 for modulated luminescent properties.

  14. Magmatic Hydrothermal Fluids: Experimental Constraints on the Role of Magmatic Sulfide Crystallization and Other Early Magmatic Processes in Moderating the Metal Content of Ore-Forming Fluids

    Science.gov (United States)

    Piccoli, P. M.; Candela, P. A.

    2006-05-01

    It has been recognized for some time that sulfide phases, although common in intermediate-felsic volcanic rocks, are not as common in their plutonic equivalents. That sulfide crystallization, or the lack thereof, is important in the protracted magmatic history of porphyry Cu and related systems is supported by the work of e.g., Rowins (2000). Candela and Holland (1986) suggested that sulfide crystallization could moderate the ore metal concentrations in porphyry environments. Experiments show clearly that Au and Cu can partition into Cl-bearing vapor and brine. This effect can be enhanced by S (Simon, this session). However, in some instances enhances this effect. That is, the partitioning of Au and Cu into vapor+brine is highly efficient (e.g. Simon et al. 2003; Frank et al 2003). This suggests that if sulfides do not sequester ore metals early during the history of a magma body from the melt, they will partition strongly into the volatile phases. Whether volatile release occurs in the porphyry ore environment, or at deeper levels upon magma rise, is a yet unsolved question. Little is known about deep release of volatiles (during magma transport at lower- to mid-crustal levels). Saturation of melts with a CO2-bearing fluid could happen at levels much deeper than those typical of ore formation. CO2 is released preferentially, so a high CO2 concentration in fluids in the porphyry ore environment argues against deep fluid release. Of course, this depends upon the specific processes of crystallization and fluid release, which may be complex. Our experiments on sulfides have concentrated on pyrrhotite and Iss. Our partitioning data for Po/melt exhibit wide variations from metal to metal: Cu (2600); Co (170); Au (140); Ni (100); Bi, Zn and Mn (2). These results suggest that crystallization of Po can contribute to variable ore metal ratios (e.g. Cu/Au). Other sulfides behave differently. If a melt is Iss (Cpy) saturated, then Cu will be buffered at a high value, and Au

  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. Crystal structures reveal metal-binding plasticity at the metallo-β-lactamase active site of PqqB from Pseudomonas putida

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Xiongying; Latham, John A.; Klema, Valerie J.; Evans III, Robert L.; Li, Chao; Klinman, Judith P.; Wilmot, Carrie M. (UMM); (UCB)

    2017-08-19

    PqqB is an enzyme involved in the biosynthesis of pyrroloquinoline quinone and a distal member of the metallo-β-lactamase (MBL) superfamily. PqqB lacks two residues in the conserved signature motif HxHxDH that makes up the key metal-chelating elements that can bind up to two metal ions at the active site of MBLs and other members of its superfamily. Here, we report crystal structures of PqqB bound to Mn2+, Mg2+, Cu2+, and Zn2+. These structures demonstrate that PqqB can still bind metal ions at the canonical MBL active site. The fact that PqqB can adapt its side chains to chelate a wide spectrum of metal ions with different coordination features on a uniform main chain scaffold demonstrates its metal-binding plasticity. This plasticity may provide insights into the structural basis of promiscuous activities found in ensembles of metal complexes within this superfamily. Furthermore, PqqB belongs to a small subclass of MBLs that contain an additional CxCxxC motif that binds a structural Zn2+. Our data support a key role for this motif in dimerization.

  17. The mechanism of deceleration of nucleation and crystal growth by the small addition of transition metals to lithium disilicate glasses

    Science.gov (United States)

    Thieme, Katrin; Avramov, Isak; Rüssel, Christian

    2016-01-01

    The addition of small amounts of niobium or tantalum oxide to lithium disilicate glass provokes a drastic decrease of the steady-state nucleation rates and the crystal growth velocities. The viscosity of the residual glassy matrix is considered as a function of the crystallization degree in the course of a non-isothermal crystallization. For simplification, a homogeneous distribution of the added oxides in the glass matrix is assumed. While the viscosity initially decreases, it significantly increases again for higher crystallization degrees hindering crystal growth. However, it was shown that the additives are enriched at the crystal interface. Several possible reasons for the inhibition of nucleation and growth kinetics such as viscosity, interfacial energy crystal/glassy phase, thermodynamic driving force or impingement rate are discussed. Since the crystallization front is blocked by the additives the impingement rate is decreased with increasing additive concentration. Since small concentrations of Nb2O5 and Ta2O5 have a drastic effect on the nucleation, these components should be enriched at the interface crystal/glass. This will only take place, if it leads to a decrease in the interfacial energy. Since this effect alone should result in an increase of the nucleation rate, it must be overcompensated by kinetic effects. PMID:27150844

  18. What a difference a 5f element makes: trivalent and tetravalent uranium halide complexes supported by one and two bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) ligands.

    Science.gov (United States)

    Cantat, Thibault; Scott, Brian L; Morris, David E; Kiplinger, Jaqueline L

    2009-03-02

    The coordination behavior of the bis[2-(diisopropylphosphino)-4-methylphenyl]amido ligand (PNP) toward UI3(THF)4 and UCl4 has been investigated to access new uranium(III) and uranium(IV) halide complexes supported by one and two PNP ligands. The reaction between (PNP)K (6) and 1 equiv of UI3(THF)4 afforded the trivalent halide complex (PNP)UI2(4-tBu-pyridine)2 (7) in the presence of 4-tert-butylpyridine. The same reaction carried out with UCl4 and no donor ligand gave [(PNP)UCl3]2 (8), in which the uranium coordination sphere in the (PNP)UCl3 unit is completed by a bridging chloride ligand. When UCl4 is reacted with 1 equiv (PNP)K (6) in the presence of THF, trimethylphosphine oxide (TMPO), or triphenylphosphineoxide (TPPO), the tetravalent halide complexes (PNP)UCl3(THF) (9), (PNP)UCl3(TMPO)2 (10), and (PNP)UCl3(TPPO) (11), respectively, are formed in excellent yields. The bis(PNP) complexes of uranium(III), (PNP)2UI (12), and uranium(IV), (PNP)2UCl2 (13), were easily isolated from the analogous reactions between 2 equiv of 6 and UI3(THF)4 or UCl4, respectively. Complexes 12 and 13 represent the first examples of complexes featuring two PNP ligands coordinated to a single metal center. Complexes 7-13 have been characterized by single-crystal X-ray diffraction and 1H and 31P NMR spectroscopy. The X-ray structures demonstrate the ability of the PNP ligand to adopt new coordination modes upon coordination to uranium. The PNP ligand can adopt both pseudo-meridional and pseudo-facial geometries when it is kappa3-(P,N,P) coordinated, depending on the steric demand at the uranium metal center. Additionally, its hemilabile character was demonstrated with an unusual kappa2-(P,N) coordination mode that is maintained in both the solid-state and in solution. Comparison of the structures of the mono(PNP) and bis(PNP) complexes 7, 9, 11-13 with their respective C5Me5 analogues 1-4 undoubtedly show that a more sterically congested environment is provided by the PNP ligand. The

  19. A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

    International Nuclear Information System (INIS)

    Jahangir, Vafa; Riahifar, Reza; Sahba Yaghmaee, Maziar

    2016-01-01

    In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

  20. A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jahangir, Vafa, E-mail: vafa.jahangir@yahoo.com; Riahifar, Reza, E-mail: reza_rfr@yahoo.com; Sahba Yaghmaee, Maziar, E-mail: fkmsahba@uni-miskolc.hu

    2016-03-31

    In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.