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Sample records for alkaline earth chalcogenides

  1. Preparation and physical properties of rare earth, alkaline earth, and transition metal ternary chalcogenides

    International Nuclear Information System (INIS)

    Georgobiani, A.N.

    1997-01-01

    A study was made on current-voltage characteristics, temperature dependences of electric conductivity and currents of thermoinduced depolarization of monocrystals, including EuGa 2 S 4 and (Ga 2 S 3 ) 1-x (Eu 2 O 3 ) x solid solutions. It is shown that these compounds, activated by europium, cerium, neodymium and other rare earths, manifest effective luminescence under the effect of ultraviolet and X-radiation, as well as under the effect of electron beams and electric field

  2. Alkaline earth metals

    International Nuclear Information System (INIS)

    Brown, Paul L.; Ekberg, Christian

    2016-01-01

    The beryllium ion has a relatively small ionic radius. As a consequence of this small size, its hydrolysis reactions begin to occur at a relatively low pH. To determine the stability and solubility constants, however, the Gibbs energy of the beryllium ion is required. In aqueous solution calcium, like the other alkaline earth metals, only exists as a divalent cation. The size of the alkaline earth cations increases with increasing atomic number, and the calcium ion is bigger than the magnesium ion. The hydrolysis of barium(II) is weaker than that of strontium(II) and also occurs in quite alkaline pH solutions, and similarly, only the species barium hydroxide has been detected. There is only a single experimental study on the hydrolysis of radium. As with the stability constant trend, it would be expected that the enthalpy of radium would be lower than that of barium due to the larger ionic radius.

  3. Optical properties of alkaline earth borate glasses

    African Journals Online (AJOL)

    user

    ... devices; radiation shields, surgical lasers and their glass ceramic counter ... Alkaline earth oxides improve glass forming capability while heavy metal ... reports on optical properties of MO-B2O3 glasses containing alkaline earth oxides.

  4. Preparation and physical properties of rare earth, alkaline earth, and transition metal ternary chalcogenides; Poluchenie i fizicheskie svojtsva trojnykh khal`kogenidov redkozemel`nykh, shchelochnykh i perekhodnykh ehlementov

    Energy Technology Data Exchange (ETDEWEB)

    Georgobiani, A N [RAN, Moskva (Russian Federation). Fizicheskij Inst. im. P.N.Lebedeva; Dzhabbarov, R B; Izzatov, B M; Musaeva, N N; Sultanov, F N; Tagiev, B G; Tagiev, O B [Inst. Fiziki im. G.M.Abdullaeva Akademii nauk Azerbajdzhana, Baku (Azerbaijan)

    1997-02-01

    A study was made on current-voltage characteristics, temperature dependences of electric conductivity and currents of thermoinduced depolarization of monocrystals, including EuGa{sub 2}S{sub 4} and (Ga{sub 2}S{sub 3}){sub 1-x}(Eu{sub 2}O{sub 3}){sub x} solid solutions. It is shown that these compounds, activated by europium, cerium, neodymium and other rare earths, manifest effective luminescence under the effect of ultraviolet and X-radiation, as well as under the effect of electron beams and electric field. 13 refs., 7 figs.

  5. Optical properties of alkaline earth borate glasses

    African Journals Online (AJOL)

    user

    The alkaline earth borate glasses containing heavy metal oxides show good solubility of rare-earth ions. Glasses containing PbO exhibit low glass transition temperature (Tg) and high ..... These oxygen ions carry a partial negative charge and.

  6. Alkaline earth filled nickel skutterudite antimonide thermoelectrics

    Science.gov (United States)

    Singh, David Joseph

    2013-07-16

    A thermoelectric material including a body centered cubic filled skutterudite having the formula A.sub.xFe.sub.yNi.sub.zSb.sub.12, where A is an alkaline earth element, x is no more than approximately 1.0, and the sum of y and z is approximately equal to 4.0. The alkaline earth element includes guest atoms selected from the group consisting of Be, Mb, Ca, Sr, Ba, Ra and combinations thereof. The filled skutterudite is shown to have properties suitable for a wide variety of thermoelectric applications.

  7. Low-temperature photoluminescence in chalcogenide glasses doped with rare-earth ions

    Czech Academy of Sciences Publication Activity Database

    Kostka, Petr; Zavadil, Jiří; Iovu, M.S.; Ivanova, Z. G.; Furniss, D.; Seddon, A.B.

    2015-01-01

    Roč. 648, NOV 5 (2015), s. 237-243 ISSN 0925-8388 R&D Projects: GA ČR GAP106/12/2384 Institutional support: RVO:67985891 ; RVO:67985882 Keywords : chalcogenide glasses * rare earth ions * low-temperature photoluminescence * optical transmission Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 3.014, year: 2015

  8. Oxidation catalysts on alkaline earth supports

    Science.gov (United States)

    Mohajeri, Nahid

    2017-03-21

    An oxidation catalyst includes a support including particles of an alkaline earth salt, and first particles including a palladium compound on the support. The oxidation catalyst can also include precious metal group (PMG) metal particles in addition to the first particles intermixed together on the support. A gas permeable polymer that provides a continuous phase can completely encapsulate the particles and the support. The oxidation catalyst may be used as a gas sensor, where the first particles are chemochromic particles.

  9. Spectroscopic characterization of alkaline earth uranyl carbonates

    International Nuclear Information System (INIS)

    Amayri, Samer; Reich, Tobias; Arnold, Thuro; Geipel, Gerhard; Bernhard, Gert

    2005-01-01

    A series of alkaline uranyl carbonates, M[UO 2 (CO 3 ) 3 ].nH 2 O (M=Mg 2 , Ca 2 , Sr 2 , Ba 2 , Na 2 Ca, and CaMg) was synthesized and characterized by inductively coupled plasma mass spectrometry (ICP-MS) and atomic absorption spectrometry (AAS) after nitric acid digestion, X-ray powder diffraction (XRD), and thermal analysis (TGA/DTA). The molecular structure of these compounds was characterized by extended X-ray absorption fine-structure (EXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS). Crystalline Ba 2 [UO 2 (CO 3 ) 3 ].6H 2 O was obtained for the first time. The EXAFS analysis showed that this compound consists of (UO 2 )(CO 3 ) 3 clusters similar to the other alkaline earth uranyl carbonates. The average U-Ba distance is 3.90+/-0.02A.Fluorescence wavelengths and life times were measured using time-resolved laser-induced fluorescence spectroscopy (TRLFS). The U-O bond distances determined by EXAFS, TRLFS, XPS, and Raman spectroscopy agree within the experimental uncertainties. The spectroscopic signatures observed could be useful for identifying uranyl carbonate species adsorbed on mineral surfaces

  10. Ethylenediaminetetraacetates of neodymium and alkaline earth metals

    International Nuclear Information System (INIS)

    Barinov, A.V.; Pechurova, L.I.; Martynenko, K.I.; Popov, K.I.; Spitsyn, V.I.

    1977-01-01

    The possibilities have been studied of the formation of polynuclear complexonates of alkaline-earth metals (Ca, Sr, and Ba) based on neodymium derivatives EDTA of the composition NdA - . By pH-metry, electron spectroscopy, and derivatography it has been shown that the structure of complexes M 2 (NdA) 2 (where M- Ca, Sr, or Ba; A- EDTA) in the solution is not polynuclear. Hydroxopolynuclear complexes do not form under conditions studied. The data obtained agree with an assumption about polynuclear structure of the solid complex Ca(NdA) 2 x17 H 2 O and gradual weakening of the polynuclear nature upon substitution of Ca 2+ with Sr 2+ and Ba 2+

  11. Retention of alkaline earth elements in man

    International Nuclear Information System (INIS)

    Newton, D.

    1990-06-01

    The data on human metabolism and long-term retention of alkaline earth elements ( 133 Ba injected into six healthy male volunteers at age 25-81 y and 45 Ca and 85 Sr received by one healthy male volunteer) are presented. Excreta were collected for 2-3 weeks after injection of the tracer into an antecubital vein. Activity in urine, ashed faeces and early samples of blood plasma was determined by gamma-ray scintillation spectrometry. Whole body retention has been assessed through serial measurements of body radioactivity. The injected 133 Ba apparently became mainly skeletal within several days, much earlier than predicted by the ICRP model. The whole-body retention at 32 d ranged from 5 to 14%, the rate of loss correlating with the excretory plasma clearance rate. No age-related trends were identified in the metabolism of Ca and Sr. 2 refs, 2 figs

  12. Spectroscopic characterization of manganese-doped alkaline earth ...

    Indian Academy of Sciences (India)

    The shapes of spectra are also changed with varying alkaline earth ions content. ... of manganese ion and electrical properties of glass contain- ing mobile ions like .... octahedral crystal field are located above the ground 6S state. Figure 2.

  13. Low-phonon-frequency chalcogenide crystalline hosts for rare earth lasers operating beyond three microns

    Science.gov (United States)

    Payne, Stephen A.; Page, Ralph H.; Schaffers, Kathleen I.; Nostrand, Michael C.; Krupke, William F.; Schunemann, Peter G.

    2000-01-01

    The invention comprises a RE-doped MA.sub.2 X.sub.4 crystalline gain medium, where M includes a divalent ion such as Mg, Ca, Sr, Ba, Pb, Eu, or Yb; A is selected from trivalent ions including Al, Ga, and In; X is one of the chalcogenide ions S, Se, and Te; and RE represents the trivalent rare earth ions. The MA.sub.2 X.sub.4 gain medium can be employed in a laser oscillator or a laser amplifier. Possible pump sources include diode lasers, as well as other laser pump sources. The laser wavelengths generated are greater than 3 microns, as becomes possible because of the low phonon frequency of this host medium. The invention may be used to seed optical devices such as optical parametric oscillators and other lasers.

  14. Spectroscopic characterization of manganese-doped alkaline earth

    Indian Academy of Sciences (India)

    The intensity and frequency variations for the characteristic phosphate group vibrations have been correlated with the changes of the structural units present in these glasses. Depolymerization of the phosphate chains in all the glasses is observed with replacement of alkaline earth content by spectroscopic studies.

  15. Mixed alkaline earth effect in sodium aluminosilicate glasses

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Smedskjær, Morten Mattrup; Mauro, John C.

    2013-01-01

    While the mixed alkali effect has received significant attention in the glass literature, the mixed alkaline earth effect has not been thoroughly studied. Here, we investigate the latter effect by partial substitution of magnesium for calcium in sodium aluminosilicate glasses. We use Raman and NMR...

  16. Positron collisions with helium and alkaline earth-like atoms

    International Nuclear Information System (INIS)

    Campbell, C.P.

    1998-09-01

    This doctoral thesis is subdivided into: 1. Theory of positron collisions with helium and alkaline earth-like atoms, 2. Positron collisions with helium, magnesium, calcium, zinc, 3. Intercomparison of positron scattering by all those elements. The appendix of this work gives details of the numerical calculations and expands on the wavefunctions used

  17. Structural variations in layered alkaline earth metal cyclohexyl ...

    Indian Academy of Sciences (India)

    Administrator

    because of the entrance of the guest molecules between the layers, there will be a change in the interlayer distance (Alberti 1978). Although M(IV) organo-phos- phonates are well documented, the chemistry of M(II) organophosphonates especially the alkaline earth metal organophosphonates has been explored marginally ...

  18. Modelling the crystallisation of alkaline earth boroaluminosilicate glass ceramics

    DEFF Research Database (Denmark)

    Svenson, Mouritz Nolsøe; Agersted, Karsten; Holm, Paul Martin

    2014-01-01

    To investigate the potential use of a thermochemical software package (FactSage 6.2), in the design of alkaline earth boroaluminosilicate glass ceramics, experimental and modelled results on four glass ceramics were compared. Initially large discrepancies were found. These are described and related...

  19. Effects of Mixed Alkaline Earth Oxides in Potash Silicate Glass ...

    African Journals Online (AJOL)

    The aim of this work is to investigate the effects of mixed alkaline earth oxide in potash silicate glasses with regards to their physical properties. More recently; there has been an increase in the demand for light weight glasses which retains their physical and chemical properties for both domestic and industrial applications.

  20. Alkaline-earth metal phenylphosphonates and their intercalation chemistry

    Czech Academy of Sciences Publication Activity Database

    Melánová, Klára; Beneš, L.; Svoboda, J.; Zima, Vítězslav; Pospíšil, M.; Kovář, P.

    2018-01-01

    Roč. 47, č. 9 (2018), s. 2867-2880 ISSN 1477-9226 R&D Projects: GA ČR(CZ) GA17-10639S Institutional support: RVO:61389013 Keywords : intercalation * layered compounds * alkaline-earth metal phenylphosphonates Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 4.029, year: 2016

  1. Temperature Dependence of Mineral Solubility in Water. Part 2. Alkaline and Alkaline Earth Bromides

    Science.gov (United States)

    Krumgalz, B. S.

    2018-03-01

    Databases of alkaline and alkaline earth bromide solubilities in water at various temperatures were created using experimental data from publications over about the last two centuries. Statistical critical evaluation of the created databases was produced since there were enough independent data sources to justify such evaluation. The reliable experimental data were adequately described by polynomial expressions over various temperature ranges. Using the Pitzer approach for ionic activity and osmotic coefficients, the thermodynamic solubility products for the discussed bromide minerals have been calculated at various temperature intervals and also represented by polynomial expressions.

  2. Thermochemical and thermophysical properties of alkaline-earth perovskites

    International Nuclear Information System (INIS)

    Yamanaka, Shinsuke; Kurosaki, Ken; Maekawa, Takuji; Matsuda, Tetsushi; Kobayashi, Shin-ichi; Uno, Masayoshi

    2005-01-01

    In order to contribute to safety evaluation of high burnup oxide fuels, we studied the thermochemical and thermophysical properties of alkaline-earth perovskites known as oxide inclusions. Polycrystalline samples of alkaline-earth perovskites, BaUO 3 , BaZrO 3 , BaCeO 3 , BaMoO 3 , SrTiO 3 , SrZrO 3 , SrCeO 3 , SrMoO 3 , SrHfO 3 and SrRuO 3 , were prepared and the thermal expansion coefficient, melting temperature, elastic moduli, Debye temperature, microhardness, heat capacity, and thermal conductivity were measured. The relationship between some physical properties was studied

  3. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

    Directory of Open Access Journals (Sweden)

    David Parker and David J Singh

    2013-01-01

    Full Text Available We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature.

  4. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

    Science.gov (United States)

    Parker, David; Singh, David J

    2013-01-01

    We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature. PMID:27877610

  5. Red-emitting alkaline-earth rare-earth pentaoxometallates powders ...

    Indian Academy of Sciences (India)

    Moisture-insensitive metal carboxylates that are mostly liquids at room temperature have been first applied to ... alkaline-earth ion, or possibly even a rare-earth ion and alkali metal ... sion spectra of the powders were recorded on a fluorescent.

  6. Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

    NARCIS (Netherlands)

    DenHartog, HW

    1996-01-01

    In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

  7. Effect of pressure on the crystal field splitting in rare earth pnictides and chalcogenides

    International Nuclear Information System (INIS)

    Schirber, J.E.; Weaver, H.T.

    1978-01-01

    The experimental situation for the pressure dependence of the crystal field of praseodymium pnictides and chalcogenides is reviewed and compared with the predictions of the point charge model. The problem of separating exchange and crystal field contributions from the measured NMR frequency shift or susceptibility measurements is discussed as well as problems explaining these effects with conduction electron related models

  8. Blue photoluminescence in Ti-doped alkaline-earth stannates

    International Nuclear Information System (INIS)

    Yamashita, Takahiro; Ueda, Kazushige

    2007-01-01

    Blue photoluminescence properties of Ti-doped alkaline-earth stannates, A 2 (Sn 1- x Ti x )O 4 (A=Ca, Sr, Ba) (x=0.005-0.15), were examined at room temperature. These stannates showed intense broad emission bands peaking at 445 nm for Ca 2 SnO 4 , at 410 nm for Sr 2 SnO 4 , and at 425 nm for Ba 2 SnO 4 under UV excitation. Emission intensities were relatively insensitive to Ti concentration and no sharp concentration quenching was observed. Mixing alkaline-earth ions in the crystal structures did not increase the emission intensities in the A 2 (Sn 1- x Ti x )O 4 system. The excitation spectra of these stannates exhibited broad bands just below the fundamental absorption edges, implying that luminescence centers do not consist of the component elements in the host materials. It was suggested that the isolated TiO 6 complexes are possible luminescence centers in these materials, as previously proposed in other Ti-doped stannates such as Mg 2 SnO 4 and Y 2 Sn 2 O 7 . - Graphical abstract: Blue photoluminescence properties of Ti-doped alkaline-earth stannates, A 2 (Sn 1- x Ti x )O 4 (A=Ca, Sr, Ba) (x=0.005-0.15), were examined at room temperature. These stannates showed intense broad emission bands peaking at 445 nm for Ca 2 SnO 4 , at 410 nm for Sr 2 SnO 4 , and at 425 nm for Ba 2 SnO 4 under UV excitation

  9. Recent advances in rare earth doped alkali-alkaline earth borates for solid state lighting applications

    Science.gov (United States)

    Verma, Shefali; Verma, Kartikey; Kumar, Deepak; Chaudhary, Babulal; Som, Sudipta; Sharma, Vishal; Kumar, Vijay; Swart, Hendrik C.

    2018-04-01

    As a novel class of inorganic phosphor, the alkali-alkaline earth borate phosphors have gained huge attention due to their charming applications in solid-state lighting (SSL) and display devices. The current research drive shows that phosphors based on the alkali-alkaline earth borates have transformed the science and technology due to their high transparency over a broad spectral range, their flexibility in structure and durability for mechanical and high-laser applications. Recent advances in various aspects of rare-earth (RE) doped borate based phosphors and their utilizations in SSL and light emitting diodes are summarized in this review article. Moreover, the present status and upcoming scenario of RE-doped borate phosphors were reviewed in general along with the proper credential from the existing literature. It is believed that this review is a sole compilation of crucial information about the RE-doped borate phosphors in a single platform.

  10. Reaction cross section calculation of some alkaline earth elements

    Science.gov (United States)

    Tel, Eyyup; Kavun, Yusuf; Sarpün, Ismail Hakki

    2017-09-01

    Reaction cross section knowledge is crucial to application nuclear physics such as medical imaging, radiation shielding and material evaluations. Nuclear reaction codes can be used if the experimental data are unavailable or are improbably to be produced because of the experimental trouble. In this study, there action cross sections of some target alkaline earth elements have been calculated by using pre-equilibrium and equilibrium nuclear reaction models for nucleon induced reactions. While these calculations, the Hybrid Model, the Geometry Dependent Hybrid Model, the Full Exciton Model, the Cascade Exciton Model for pre-equilibrium reactions and the Weisskopf-Ewing Model for equilibrium reactions have been used. The calculated cross sections have been discussed and compared with the experimental data taken from Experimental Nuclear Reaction Data library.

  11. Reaction cross section calculation of some alkaline earth elements

    Directory of Open Access Journals (Sweden)

    Tel Eyyup

    2017-01-01

    Full Text Available Reaction cross section knowledge is crucial to application nuclear physics such as medical imaging, radiation shielding and material evaluations. Nuclear reaction codes can be used if the experimental data are unavailable or are improbably to be produced because of the experimental trouble. In this study, there action cross sections of some target alkaline earth elements have been calculated by using pre-equilibrium and equilibrium nuclear reaction models for nucleon induced reactions. While these calculations, the Hybrid Model, the Geometry Dependent Hybrid Model, the Full Exciton Model, the Cascade Exciton Model for pre-equilibrium reactions and the Weisskopf-Ewing Model for equilibrium reactions have been used. The calculated cross sections have been discussed and compared with the experimental data taken from Experimental Nuclear Reaction Data library.

  12. Many-body physics with alkaline-earth Rydberg lattices

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, R; Nath, R; Pohl, T [Max Planck Institute for the Physics of Complex Systems, Noethnitzer Strasse 38, 01187 Dresden (Germany); Millen, J; Jones, M P A, E-mail: rick@pks.mpg.de [Department of Physics, Durham University, Durham DH1 3LE (United Kingdom)

    2011-09-28

    We explore the prospects for confining alkaline-earth Rydberg atoms in an optical lattice via optical dressing of the secondary core-valence electron. Focussing on the particular case of strontium, we identify experimentally accessible magic wavelengths for simultaneous trapping of ground and Rydberg states. A detailed analysis of relevant loss mechanisms shows that the overall lifetime of such a system is limited only by the spontaneous decay of the Rydberg state, and is not significantly affected by photoionization or autoionization. The van der Waals C{sub 6} coefficients for the Sr(5sns {sup 1}S{sub 0}) Rydberg series are calculated, and we find that the interactions are attractive. Finally we show that the combination of magic-wavelength lattices and attractive interactions could be exploited to generate many-body Greenberger-Horne-Zeilinger states.

  13. 40 CFR 721.4668 - Hydrated alkaline earth metal salts of metalloid oxyanions.

    Science.gov (United States)

    2010-07-01

    ... metalloid oxyanions. 721.4668 Section 721.4668 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.4668 Hydrated alkaline earth metal salts of metalloid oxyanions. (a... hydrated alkaline earth metal salts of metalloid oxyanions (PMN P-94-1557) is subject to reporting under...

  14. Mass spectra of alkaline earth salts with a FAB source. Complexation with crown ethers

    International Nuclear Information System (INIS)

    Ulrich, J.

    1987-01-01

    With a liquid desorption FAB source it is possible to obtain alkaline earth metal ions complexed by a crown ether. Conditions for formation of these complexes ions are examined for selection of the complexing agent in function of cation size. Behaviour of alkaline and alkaline earth compounds are compared allowing the differentiation of ion extraction phenomena by liquid desorption ion source and solvent extraction [fr

  15. Daily intakes of alkaline earth metals in Japanese males

    International Nuclear Information System (INIS)

    Shiraishi, Kunio; Yamamoto, Masayoshi; Ueno, Kaoru

    1994-01-01

    Diet samples were collected for two duplicate portion studies and one market basket study. 226 Ra in the diet samples was determined by alpha spectrometry and daily intake was estimated as 23 mBq (0.62 pCi) per person. Other alkaline earth metals were determined by inductively coupled plasma atomic-emission spectrometry. Average mineral intakes of calcium, magnesium, strontium, and barium were 0.55 g, 0.21 g, 2.3 mg, and 0.39 mg, respectively. Element ratios magnesium:calcium 0.38, strontium:calcium 4.2 x 10 -3 barium:calcium 7.1 X 10 -4 , and Ra:calcium 1.1 x 10 -12 were found in the diet; these compared with element ratios in Japanese vertebrae of magnesium:calcium 0.011, strontium:calcium 3.1 x 10 -4 , barium:calcium 2.7 x 10 -5 , and radium:calcium 2.6 x 10 -14 . Observed ratios, defined as the element ratio in bone divided by the respective element intake ratio in Japanese males, were as follows: 226 Ra 0.02, magnesium 0.03, strontium 0.07, and barium 0.04

  16. Naphthenic acid removal from HVGO by alkaline earth metal catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Ding, L.; Rahimi, P.; Hawkins, R.; Bhatt, S.; Shi, Y. [National Centre for Upgrading Technology, Devon, AB (Canada); Natural Resources Canada, Devon, AB (Canada). CanmetENERGY

    2009-07-01

    This poster highlighted a study that investigated naphthenic acid removal from bitumen-derived heavy vacuum gas oil (HVGO) by thermal cracking and catalytic decarboxylation over alkaline earth-metal oxides and ZnO catalysts in a batch reactor and a continuous fixed-bed reactor. X-ray diffraction (XRD), thermogravimetric-differential thermal analysis (TG-DTA) temperature-programmed desorption (TPD) of carbon dioxide (CO{sub 2}-TPD), and scanning electron microscopy were used to characterize the fresh and spent catalysts. With MgO and ZnO, naphthenic acid removal proceeded via catalytic decarboxylation. No crystalline phase changes were observed after reaction. With CaO, multiple pathways such as catalytic decarboxylation, neutralization, and thermal cracking were responsible for naphthenic acid conversion. The spent catalysts contained Ca(OH){sub 2} and CaCO{sub 3}. With BaO, naphthenic acid conversion occurred through neutralization. All BaO was converted to Ba(OH){sub 2} during the reaction. tabs., figs.

  17. On the capacity to the complexing of alkaline earth metal and magnesium chromates

    International Nuclear Information System (INIS)

    Orekhov, O.L.

    1978-01-01

    Considered is the capacity to the complexing of magnesium chromates and alkaline earth metal chromates with ammonium chromates in aqueous solutions. It has been established that the complexing of alkaline earth metal and magnesium chromates is effected by a nature of initial salts as well as their solubilities and the presence of crystallization water. Capacity of magnesium ions and alkaline rare earth metals to the complexing decreases in a series of Mg-Ca-Sr-Ba. Ca complexes exceed magnesium derivatives in respect of stability

  18. When VSEPR fails: experimental and theoretical investigations of the behavior of alkaline-earth-metal acetylides.

    Science.gov (United States)

    Guino-o, Marites A; Alexander, Jacob S; McKee, Michael L; Hope, Håkon; Englich, Ulrich B; Ruhlandt-Senge, Karin

    2009-11-09

    The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing experimental and theoretical data to offer new insights into the intensively debated theme of structural chemistry in heavy alkaline-earth-metal chemistry.

  19. Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material.

    Science.gov (United States)

    Zhao, Xin; Wang, Cai-Zhuang; Kim, Minsung; Ho, Kai-Ming

    2017-12-04

    Fe-cluster-based crystal structures are predicted for chalcogenides Fe 3 X 4 (X = S, Se, Te) using an adaptive genetic algorithm. Topologically different from the well-studied layered structures of iron chalcogenides, the newly predicted structures consist of Fe clusters that are either separated by the chalcogen atoms or connected via sharing of the vertex Fe atoms. Using first-principles calculations, we demonstrate that these structures have competitive or even lower formation energies than the experimentally synthesized Fe 3 X 4 compounds and exhibit interesting magnetic and electronic properties. In particular, we show that Fe 3 Te 4 can be a good candidate as a rare-earth-free permanent magnet and Fe 3 S 4 can be a magnetic nodal-line topological material.

  20. The electronic structure of rare-earth luminescent centre in alkaline-earth sulphides

    International Nuclear Information System (INIS)

    Zheng Qingqi; Pan Wei; Huang Maichun; He Xiaoguang

    1988-09-01

    The cluster method is used to investigate the electronic structure of rare-earth Eu 2+ and Ce 3+ doped SrS and CaS alkaline-earth sulphides in the local density theory regime. The ground state is obtained self-consistently by the DV-X α method, while the transition state theory is used to calculate the excited states. The energy difference between ground state and excited state is 2.95 eV (420 nm) for CaS:Eu is in good agreement with the experimental data of 430 nm for the absorption peak in SrS:Cu. The composition of ground state and excited state is also calculated which can give information about the EL excitation mechanism. (author). 7 refs, 4 figs, 3 tabs

  1. Synthesis and structure of alkaline earth and rare earth metal doped C70

    International Nuclear Information System (INIS)

    Takenobu, Taishi; Iwasa, Yoshihiro; Ito, Takayoshi; Mitani, Tadaoki

    2001-01-01

    We have investigated the structure sequence of alkaline earth (A=Ba, Sr) and rare earth metal (R=Eu) doped C 70 binary system. X-ray diffraction measurements revealed that there exist at least four stable phases at x=3, 4, 6, and 9 in A x C 70 and two stable phases at x=3, and 9 in R x C 70 . Among them, structural models are presented for Ba 4 C 70 , Sr 3 C 70 , and Eu 3 C 70 . Ba 4 C 70 takes an analogous structure to orthorhombic Ba 4 C 60 . Sr 3 C 70 and Eu 3 C 70 have monoclinic cell and their diffraction patterns are quite similar to that of Sm 3 C 70 , which involves a unique C 70 -metal-C 70 dimer structure. Preliminary results of Raman spectroscopy and magnetization measurement suggest the highly reduction state for A 9 C 70 and ferromagnetic interaction for Eu x C 70

  2. Electromigration in molten salts and application to isotopic separation of alkaline and alkaline-earth elements

    International Nuclear Information System (INIS)

    Menes, F.

    1969-01-01

    The separation of the isotopes of the alkaline-earth elements has been studied using counter-current electromigration in molten bromides. The conditions under which the cathode operates as a bromine electrode for the highest possible currents have been examined. For the separation of calcium, it has been necessary to use a stable CaBr 2 - (CaBr 2 + KBr) 'chain'. In the case of barium and strontium, it was possible to employ the pure bromides. Enrichment factors of the order of 10 for 48 Ca and of the order of 1.5 for the rare isotopes of barium and strontium have been obtained. In the case of magnesium the method is slightly more difficult to apply because of material loss due to the relatively high vapour pressure of the salt requiring the use of electrolyte chains, MgBr 2 - CeBr 3 . A study has been made that has led to a larger-scale application of the method. These are essentially the inhibition of reversible operation of the cathode by traces of water, limiting the intensity which can be tolerated; evacuation of the heat produced by the Joule effect, in the absence of which the separation efficiency is reduced by thermal gradients; corrosion of the materials by molten salts at high temperature. Several cells capable of treating a few kilograms of substance have been put into operation; none of these has lasted long enough to produce a satisfactory enrichment. The method is thus limited actually to yields of the order of a few grams. (author) [fr

  3. Molecular dynamics of liquid alkaline-earth metals near the melting ...

    Indian Academy of Sciences (India)

    computed the velocity autocorrelation function (VACF), its memory function and ... Since alkaline-earth metals are simple like metals, the main difficulty in the calcu- lation of ..... recall that the conventional binding energy can be written [23] as.

  4. Desorption of acetone from alkaline-earth exchanged Y zeolite after propane selective oxidation

    NARCIS (Netherlands)

    Xu, J.; Mojet, Barbara; van Ommen, J.G.; Lefferts, Leonardus

    2004-01-01

    The desorption of products from a series of alkaline-earth exchanged Y zeolites after room-temperature propane selective oxidation was investigated by in situ infrared and mass spectroscopy. The intermediate product, isopropylhydroperoxide (IHP), did not desorb during

  5. The application of extraction chromatography for analysis of alkali and alkaline earth uranates

    International Nuclear Information System (INIS)

    Tomazic, B.; Cukovic, M.

    1978-01-01

    A method for rapid analysis of alkali and alkaline earth uranates is proposed. The method is based on the use of an HDEHP extraction chromatographic column, which makes possible quantitative separations of alkaline earth ions from macroamounts of uranium(VI). Composition of alkaline earth uranates, based on regression analysis, are presented. The results, which show that under the given experimental conditions alkaline earth triuranates precipitate, are in good agreement with previous data from same laboratory. In addition the HDEHP extraction chromatographic column can be suggested as a tool for separation of representative fission products from irradiated uranium for the purpose of determination of the burn-up factor of nuclear reactor materials. (T.G.)

  6. Study of alkaline-earth element complexes in anhydrous acetic acid

    International Nuclear Information System (INIS)

    Petit, N.

    1968-10-01

    We have studied the complexes of alkaline-earth elements in anhydrous acetic acid. Using glass-electrode potentiometry we have studied the titration of alkaline earth acetates with perchloric acid which is the strongest acid in anhydrous acetic acid. These titrations have shown that the basic strength of these acetates increases as follows: Mg 4 ); the mixed acetate-acid sulfate complex of barium: Ba (OAc)(HSO 4 ); the mixed acetate-chloride of barium: Ba (OAc)(Cl). (author) [fr

  7. Modulation of cardiac ryanodine receptor channels by alkaline earth cations.

    Directory of Open Access Journals (Sweden)

    Paula L Diaz-Sylvester

    Full Text Available Cardiac ryanodine receptor (RyR2 function is modulated by Ca(2+ and Mg(2+. To better characterize Ca(2+ and Mg(2+ binding sites involved in RyR2 regulation, the effects of cytosolic and luminal earth alkaline divalent cations (M(2+: Mg(2+, Ca(2+, Sr(2+, Ba(2+ were studied on RyR2 from pig ventricle reconstituted in bilayers. RyR2 were activated by M(2+ binding to high affinity activating sites at the cytosolic channel surface, specific for Ca(2+ or Sr(2+. This activation was interfered by Mg(2+ and Ba(2+ acting at low affinity M(2+-unspecific binding sites. When testing the effects of luminal M(2+ as current carriers, all M(2+ increased maximal RyR2 open probability (compared to Cs(+, suggesting the existence of low affinity activating M(2+-unspecific sites at the luminal surface. Responses to M(2+ vary from channel to channel (heterogeneity. However, with luminal Ba(2+or Mg(2+, RyR2 were less sensitive to cytosolic Ca(2+ and caffeine-mediated activation, openings were shorter and voltage-dependence was more marked (compared to RyR2 with luminal Ca(2+or Sr(2+. Kinetics of RyR2 with mixtures of luminal Ba(2+/Ca(2+ and additive action of luminal plus cytosolic Ba(2+ or Mg(2+ suggest luminal M(2+ differentially act on luminal sites rather than accessing cytosolic sites through the pore. This suggests the presence of additional luminal activating Ca(2+/Sr(2+-specific sites, which stabilize high P(o mode (less voltage-dependent and increase RyR2 sensitivity to cytosolic Ca(2+ activation. In summary, RyR2 luminal and cytosolic surfaces have at least two sets of M(2+ binding sites (specific for Ca(2+ and unspecific for Ca(2+/Mg(2+ that dynamically modulate channel activity and gating status, depending on SR voltage.

  8. Chalcogenides formed by trivalent rare earth elements with d-elements

    International Nuclear Information System (INIS)

    Flao, Zh.; Laruehl', P.; Olitro, R.

    1981-01-01

    Data on ternary compounds formed by trivalent rare earth elements with 3d-, 4d- and 5d-elements of the Periodic system is presented. Compounds of 3d-elements both in bivalent and trivalent states are considered. The main attention is paid to the structure of the compounds. Description of a great number of new structural types of compounds is given. In certain cases the structure has not been deciphered and, besides, structural investigations with monocrystals are not numerous. Attention is drawn to the existence of nonstoichiometric compounds. References to the works on investigation of thermal (melting temperature), magnetic, optical and electric properties as well as Moessbauer effect are presented

  9. Energy Transfer between Post-Transition Elements & Rare Earths in Oxide & Chalcogenide Glasses.

    Science.gov (United States)

    1979-08-27

    Caird [13]. A calculation of reduced matrix elements of Pr3 in 20 Na O • 80 TeO2 glass [14] showed that they differ slightly from data of ref. [121... glasses Transition (lass 35 ZnO 65 TeO2 20 Na2 O 80 TeO 2 fX 106 fX 106 l.,eas 3a, a) Ia’l. faI f.me.s f al f+ I fal 3 H4 - 3 H6 1.56 1.65 1.12...Rare-Earth Doped Glasses 20. jIST HAEV CCnFn~m ,i cn,on ra e sideit If c."*Ar’ -- ~ 14-r by t?-h.c .: r Intensity parameters, radiative transition

  10. Low-temperature photoluminescence in chalcogenide glasses doped with rare-earth ions

    Energy Technology Data Exchange (ETDEWEB)

    Kostka, Petr, E-mail: petr.kostka@irsm.cas.cz [Institute of Rock Structure and Mechanics AS CR, V Holešovičkách 41, 182 09 Praha 8 (Czech Republic); Zavadil, Jiří [Institute of Photonics and Electronics AS CR, Chaberská 57, 182 51 Praha 8, Kobylisy (Czech Republic); Iovu, Mihail S. [Institute of Applied Physics, Academy of Sciences of Moldova, Str. Academiei 5, MD-28 Chisinau, Republic of Moldova (Moldova, Republic of); Ivanova, Zoya G. [Institute of Solid State Physics, Bulgarian Academy of Sciences, 1784 Sofia (Bulgaria); Furniss, David; Seddon, Angela B. [Mid-Infrared Photonics Group, George Green Institute for Electromagnetics Research, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-11-05

    Sulfide and oxysulfide bulk glasses Ga-La-S-O, Ge-Ga-S and Ge-Ga-As-S doped, or co-doped, with various rare-earth (RE{sup 3+}) ions are investigated for their room temperature transmission and low-temperature photoluminescence. Photoluminescence spectra are collected by using external excitation into the Urbach tail of the fundamental absorption edge of the host-glass. The low-temperature photoluminescence spectra are dominated by the broad-band luminescence of the host glass, with superimposed relatively sharp emission bands due to radiative transitions within 4f shells of RE{sup 3+} ions. In addition, the dips in the host-glass luminescence due to 4f-4f up-transitions of RE{sup 3+} ions are observed in the Ge-Ga-S and Ge-Ga-As-S systems. These superimposed narrow effects provide a direct experimental evidence of energy transfer between the host glass and respective RE{sup 3+} dopants. - Highlights: • An evidence of energy transfer from host-glass to doped-in RE ions is presented. • Energy transfer is manifested by dips in host-glass broad-band luminescence. • This channel of energy transfer is documented on selected RE doped sulfide glasses. • Photoluminescence spectra are dominated by broad band host-glass luminescence. • Presence of RE ions is manifested by superimposed narrow 4f-4f transitions.

  11. Photoionization of subvalence p-subshell in alkali and alkaline-earth atoms

    International Nuclear Information System (INIS)

    Yagishita, A.; Hayaishi, T.; Itoh, Y.

    1986-11-01

    Photoionization of alkali and alkaline-earth atoms has been investigated by means of a time-of-flight mass spectrometer combined with monochromatised synchrotron radiation and an atomic beam, in the wavelength region of 350 - 750 A. For alkaline-earth atoms, it has been made clear that a two-step autoionization following an innershell excitation plays an important role for doubly charged ions. For alkali atoms, relative photoionization cross sections have been measured for the first time. Moreover, a tentative assignment of spectral lines for Rb and Cs in the complex spectral region has been attemped based on the photoionization data. (author)

  12. Separation of alkali and alkaline earth metals by polyethers using extraction chromatography

    International Nuclear Information System (INIS)

    Smulek, W.; Lada, W.A.

    1979-01-01

    The separation of alkali and alkaline earth metals by means of an acyclic polyether, 1,13-bis(8-chinolinyl)-1, 4, 7, 10, 13-pentaoxatridecane (CPOD), and cyclic polyethers, benzo-15-crown-5 (BC), dibenzo-18-crown-6 (DBC) and dicyclohexyl-18-crown-6 (DCHC), using extraction chromatography has been studied. The alkali metals can be effectively separated using SCN - as the accompanying ion. For alkaline earth metals, the best results were obtained with ClO 4 - ions. Different elution sequences for these groups were observed using chloroform and/meen=/ sitylene as diluents for the polyethers. (author)

  13. Electric dipole moments and chemical bonding of diatomic alkali-alkaline earth molecules.

    Science.gov (United States)

    Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E

    2016-02-17

    We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and bond distances. We analyze trends and provide an empirically motivated model for the prediction of the permanent electric dipole moment for combinations of alkali and alkaline earth atoms not studied in this work.

  14. The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies

    International Nuclear Information System (INIS)

    Peyghan, Ali Ahmadi; Noei, Maziar

    2014-01-01

    Doping of several alkali and alkaline earth metals into sidewall of an armchair ZnO nanotube has been investigated by employing the density functional theory in terms of energetic, geometric, and electronic properties. It has been found that doping processes of the alkali and alkaline metals are endothermic and exothermic, respectively. Based on the results, contrary to the alkaline metal doping, the electronic properties of the tube are much more sensitive to alkali metal doping so that it is transformed from intrinsic semiconductor with HOMO–LUMO energy gap of 3.77 eV to an extrinsic semiconductor with the energy gap of ∼1.11–1.95 eV. The doping of alkali and alkaline metals increases and decreases the work function of the tube, respectively, which may influence the electron emission from the tube surface

  15. Use of polysulfides of alkali and alkaline-earth metals to obtain highly dispersed sulfur

    International Nuclear Information System (INIS)

    Massalimov, I.A.; Vikhareva, I.N.; Kireeva, M.S.

    2008-01-01

    Possibilities of obtaining polysulfides of alkali and alkaline earth metals (M is Na, K, Ca, Sr, Ba) in aqueous solutions were considered. The composition of the polysulfides and their concentration in solutions were found. The efficiencies of application of highly dispersed sulfur, produced from calcium polysulfide, and colloid sulfur as a fungicide were compared [ru

  16. Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties

    Czech Academy of Sciences Publication Activity Database

    Zima, Vítězslav; Raja, D. S.; Lee, Y. S.; Chang, T. G.; Wu, Ch. Y.; Hu, Ch. Ch.; Lee, K. R.; Lai, J. Y.; Yeh, J. M.; Lin, Ch. H.

    2013-01-01

    Roč. 42, č. 43 (2013), s. 15332-15342 ISSN 1477-9226 Grant - others:AV ČR(CZ) M200501202 Program:M Institutional support: RVO:61389013 Keywords : coordination polymers * phosphonates * alkaline-earth Subject RIV: CA - Inorganic Chemistry Impact factor: 4.097, year: 2013

  17. A Kinetic Insight into the Activation of n -Octane with Alkaline-Earth ...

    African Journals Online (AJOL)

    Alkaline-earth metal hydroxyapatites are prepared by the co-precipitation method and characterized using XRD, ICP,NH3-TPD, SEM-EDX, TEM and N2 physisorption analysis. The metal present in the hydroxyapatite influences the acidity of the catalyst. Oxidative dehydrogenation reactions carried out in a continuous flow ...

  18. Vibrational spectra of double rare earth alkaline metal metaphosphates

    International Nuclear Information System (INIS)

    Madij, V.A.; Krasilov, Yu.I.; Kizel', V.A.; Denisov, Yu.V.; Chudinova, N.N.; Vinogradova, N.V.

    1978-01-01

    Joint analysis of the Raman and infrared absorption spectra, as well as X-ray structural data for binary metaphosphates, suggest a cyclic structure of the anion in RbEu(PO 3 ) 4 and a chain structure of the anions in HEu(PO 3 ) 4 and LiEu(PO 3 ) 4 . Spectroscopic criteria are proposed for distinguishing between cyclic and chain structures in binary metaphosphates of rare earth elements and alkali metals

  19. Carbonatite and alkaline intrusion-related rare earth element deposits–A deposit model

    Science.gov (United States)

    Verplanck, Philip L.; Van Gosen, Bradley S.

    2011-01-01

    The rare earth elements are not as rare in nature as their name implies, but economic deposits with these elements are not common and few deposits have been large producers. In the past 25 years, demand for rare earth elements has increased dramatically because of their wide and diverse use in high-technology applications. Yet, presently the global production and supply of rare earth elements come from only a few sources. China produces more than 95 percent of the world's supply of rare earth elements. Because of China's decision to restrict exports of these elements, the price of rare earth elements has increased and industrial countries are concerned about supply shortages. As a result, understanding the distribution and origin of rare earth elements deposits, and identifying and quantifying our nation's rare earth elements resources have become priorities. Carbonatite and alkaline intrusive complexes, as well as their weathering products, are the primary sources of rare earth elements. The general mineral deposit model summarized here is part of an effort by the U.S. Geological Survey's Mineral Resources Program to update existing models and develop new descriptive mineral deposit models to supplement previously published models for use in mineral-resource and mineral-environmental assessments. Carbonatite and alkaline intrusion-related REE deposits are discussed together because of their spatial association, common enrichment in incompatible elements, and similarities in genesis. A wide variety of commodities have been exploited from carbonatites and alkaline igneous rocks, such as rare earth elements, niobium, phosphate, titanium, vermiculite, barite, fluorite, copper, calcite, and zirconium. Other enrichments include manganese, strontium, tantalum, thorium, vanadium, and uranium.

  20. Carbon nitride nanotube as a sensor for alkali and alkaline earth cations

    Energy Technology Data Exchange (ETDEWEB)

    Beheshtian, Javad [Department of Chemistry, Shahid Rajaee Teacher Training University, P.O. Box: 16875-163, Tehran (Iran, Islamic Republic of); Baei, Mohammad T. [Department of Chemistry, Azadshahr Branch, Islamic Azad University, Azadshahr, Golestan (Iran, Islamic Republic of); Bagheri, Zargham [Physics Group, Science Department, Islamic Azad University, Islamshahr Branch, P.O. Box: 33135-369, Islamshahr, Tehran (Iran, Islamic Republic of); Peyghan, Ali Ahmadi, E-mail: ahmadi.iau@gmail.com [Young Researchers Club, Islamic Azad University, Islamshahr Branch, Tehran (Iran, Islamic Republic of)

    2013-01-01

    Highlights: Black-Right-Pointing-Pointer Adsorption of alkali and alkaline earth cations on a CN nanotube studied by DFT. Black-Right-Pointing-Pointer The alkaline cation adsorption may raise potential barrier of the electron emission. Black-Right-Pointing-Pointer The tube may act as a sensor in the presence of alkali and alkaline cations. - Abstract: Adsorption of several alkali (Li{sup +}, Na{sup +}, and K{sup +}) and alkaline earth (Be{sup 2+}, Mg{sup 2+}, and Ca{sup 2+}) cations on the surface of a zigzag (9, 0) carbon nitride nanotube has been investigated using density functional theory. It has been found that almost all of the cations prefer to be strongly chemisorbed at the center of porous site of the tube surface. The adsorption of alkaline cations much more influences the electronic properties of the tube, in comparison with the alkali ones, so that it is transformed from an intrinsic semiconductor with HOMO/LUMO energy gap of 4.02 eV to extrinsic p-type one with the gap of 0.54-1.94 eV. The alkaline cation adsorption may significantly raise potential barrier of the electron emission from the tube surface, hence impeding the field emission. It has been also concluded that the electrical sensitivity of the tube toward the cations may be in the order: Be{sup 2+} Much-Greater-Than Mg{sup 2+} Much-Greater-Than Ca{sup 2+} Much-Greater-Than Li{sup +} {approx} Na{sup +} {approx} K{sup +}.

  1. Environmental effects on fatigue of alkaline earth aluminosilicate glass with varying fictive temperature

    DEFF Research Database (Denmark)

    Striepe, Simon; Deubener, Joachim; Smedskjær, Morten Mattrup

    2013-01-01

    The influence of relative humidity on microhardness, stress intensity, crack resistance, and sub-critical crack growth of an alkaline earth aluminosilicate glass has been studied by Vickers indentation. Quenched and annealed glasses with a wide range of fictive temperatures (ΔTf ≈ 130 K) are comp......The influence of relative humidity on microhardness, stress intensity, crack resistance, and sub-critical crack growth of an alkaline earth aluminosilicate glass has been studied by Vickers indentation. Quenched and annealed glasses with a wide range of fictive temperatures (ΔTf ≈ 130 K....... The glasses with lower fictive temperature exhibit a larger change in the micromechanical properties when comparing wet and dry conditions. Finally, it is found that sub-critical crack growth is larger in the low fictive temperature glasses, indicating a diminished resistance against fatigue and stress...

  2. Calculated solubility isotherm of a system of alkaline earth sulfates and hydroxides in water

    International Nuclear Information System (INIS)

    MOshinskii, A.S.; TIkomirova, K.A.

    1986-01-01

    Tis paper examines the calculation of the isothermal solubility diagram of a system of alkaline earth sulfates and hydroxides in water which makes it possible to substantiate, to a considerable extent, the natural physicochemical mineralization of natural waters, in particular water from geochemical sources. The present paper investigates the solubility of the equilibrium solid phases of a system of alkaline earth sulfates and hydroxides in water. A projection is shown of the composition prism of the quinary reciprocal system with demarcation of the crystallization areas of each sulfate and hydroxide of the component subsystems. The computational formulas for calculating solubility were derived from the solubility product principle, with allowance for ion activity coefficients in saturated hydroxide solutions

  3. IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 2. Ca

    Science.gov (United States)

    Vanderdeelen, Jan

    2012-06-01

    The alkaline earth carbonates are an important class of minerals. This article is part of a volume in the IUPAC-NIST Solubility Data Series that compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1 outlined the procedure adopted in this volume, and presented the beryllium and magnesium carbonates. Part 2, the current paper, compiles and critically evaluates the solubility data of calcium carbonate. The chemical forms included are the anhydrous CaCO3 types calcite, aragonite, and vaterite, the monohydrate monohydrocalcite (CaCO3. H2O), the hexahydrate ikaite (CaCO3.6H2O), and an amorphous form. The data were analyzed with two model variants, and thermodynamic data of each form consistent with each of the models and with the CODATA key values for thermodynamics are presented.

  4. IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 2. Ca

    International Nuclear Information System (INIS)

    De Visscher, Alex; Vanderdeelen, Jan

    2012-01-01

    The alkaline earth carbonates are an important class of minerals. This article is part of a volume in the IUPAC-NIST Solubility Data Series that compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1 outlined the procedure adopted in this volume, and presented the beryllium and magnesium carbonates. Part 2, the current paper, compiles and critically evaluates the solubility data of calcium carbonate. The chemical forms included are the anhydrous CaCO 3 types calcite, aragonite, and vaterite, the monohydrate monohydrocalcite (CaCO 3 · H 2 O), the hexahydrate ikaite (CaCO 3 ·6H 2 O), and an amorphous form. The data were analyzed with two model variants, and thermodynamic data of each form consistent with each of the models and with the CODATA key values for thermodynamics are presented.

  5. IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 2. Ca

    Energy Technology Data Exchange (ETDEWEB)

    De Visscher, Alex; Vanderdeelen, Jan [Department of Chemical and Petroleum Engineering, and Centre for Environmental Engineering Research and Education (CEERE), Schulich School of Engineering, University of Calgary, Calgary, Alberta, T2N 1N4 (Canada); Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, B-9000 Ghent (Belgium)

    2012-06-15

    The alkaline earth carbonates are an important class of minerals. This article is part of a volume in the IUPAC-NIST Solubility Data Series that compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1 outlined the procedure adopted in this volume, and presented the beryllium and magnesium carbonates. Part 2, the current paper, compiles and critically evaluates the solubility data of calcium carbonate. The chemical forms included are the anhydrous CaCO{sub 3} types calcite, aragonite, and vaterite, the monohydrate monohydrocalcite (CaCO{sub 3}{center_dot} H{sub 2}O), the hexahydrate ikaite (CaCO{sub 3}{center_dot}6H{sub 2}O), and an amorphous form. The data were analyzed with two model variants, and thermodynamic data of each form consistent with each of the models and with the CODATA key values for thermodynamics are presented.

  6. Effect of the kind of alkaline and rare earth ions on the structure of a glass rich in earth

    International Nuclear Information System (INIS)

    Quintas, Arnaud; Caurant, Daniel; Majerus, Odile; Lenoir, Marion; Dussossoy, Jean-Luc; Charpentier, Thibault; Neuville, Daniel R.; Gervais, C.

    2006-01-01

    In the framework of a structural study of a nuclear wastes containment glass of type alumino borosilicate and rich in rare earths, the influence of the kind of alkaline or rare earth ions is analyzed. For that, two glasses series have been prepared in which the Na + ion (respectively Ca 2+ ions) present in the standard composition is totally substituted by another alkaline ion Li + , K + , Rb + or Cs + (respectively another rare earth ion Mg 2+ , Sr 2+ or Ba 2+ ). These glasses, analyzed by optical absorption, Raman and 27 Al or 11 B NMR spectroscopies have revealed the strong impact of the kind of the modifying ion as well as the structure of the vitreous lattice (variation of the ratio BO 3 /BO 4 and local variations of the polymerization degree) than the local surroundings of the rare earth (decrease of the covalency degree of the bond Nd-O with the increase of the field force of the modifying ion). (O.M.)

  7. Properties of the triplet metastable states of the alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2004-01-01

    The static and dynamic properties of the alkaline-earth-metal atoms in their metastable state are computed in a configuration interaction approach with a semiempirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths, and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described

  8. Long-range interactions between alkali and alkaline-earth atoms

    International Nuclear Information System (INIS)

    Jiang Jun; Cheng Yongjun; Mitroy, J

    2013-01-01

    Dispersion coefficients between the alkali metal atoms (Li–Rb) and alkaline-earth metal atoms (Be–Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low-lying excited state. (paper)

  9. Structure of fluoroantimonates (5) and fluorobismuthates (5) of alkaline earth metals

    International Nuclear Information System (INIS)

    Popov, A.I.; Val'kovskij, M.D.; Sukhoverkhov, V.F.

    1990-01-01

    Structure of fluoroantimonates (5) and fluorobismuthates (5) of M 2+ (M 5+ F 6 ) 2 composition, where M 5+ =Sb, Bi; M 2+ =Ca, Mg, Sr, Ba, alkaline earth elements is studied using powder x-ray structure analysis. Strontium fluoroantimonate and fluorobismuthate are crystallized in triclinic syngony, lattice parameters are presented. Models of structure of the studied fluorocomplex, which crystaline lattices consist of M 2+ cations and M 5+ F 6 - octahedral anions

  10. Spectroscopic studies of copper doped alkaline earth lead zinc phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Sastry, S. Sreehari, E-mail: sreeharisastry@yahoo.com [Department of Physics, Acharya Nagarjuna University, Nagarjunanagar 522510 (India); Rao, B. Rupa Venkateswara [Department of Physics, Acharya Nagarjuna University, Nagarjunanagar 522510 (India); Department of Physics, V.R. Siddhartha Engineering College, Vijayawada 52007 (India)

    2014-02-01

    In this paper spectroscopic investigation of Cu{sup 2+} doped alkaline earth lead zinc phosphate glasses was done through the spectroscopic techniques like X-ray diffraction, Ultra Violet (UV) absorption Spectroscopy, Electron Paramagnetic Resonance (EPR – X band), Fourier Transform Infra Red (FTIR) and Raman Spectroscopy. Alkaline earth lead zinc phosphate glasses containing 0.1% copper oxide (CuO) were prepared by the melt quenching technique. Spectroscopic studies indicated that there is a greater possibility for the copper ions to exist in Cu{sup 2+} state in these glasses. The optical absorption spectra indicated that the absorption peak of Cu{sup 2+} is a function of composition. The maxima absorption peak was reported at 862 nm for strontium lead zinc phosphate glass. Bonding parameters were calculated for the optical and EPR data. All these spectral results indicated clearly that there are certain structural changes in the present glass system with different alkaline earth contents. The IR and Raman spectra noticed the breaking of the P–O–P bonds and creating more number of new P–O–Cu bonds.

  11. Spectroscopic studies of copper doped alkaline earth lead zinc phosphate glasses

    International Nuclear Information System (INIS)

    Sastry, S. Sreehari; Rao, B. Rupa Venkateswara

    2014-01-01

    In this paper spectroscopic investigation of Cu 2+ doped alkaline earth lead zinc phosphate glasses was done through the spectroscopic techniques like X-ray diffraction, Ultra Violet (UV) absorption Spectroscopy, Electron Paramagnetic Resonance (EPR – X band), Fourier Transform Infra Red (FTIR) and Raman Spectroscopy. Alkaline earth lead zinc phosphate glasses containing 0.1% copper oxide (CuO) were prepared by the melt quenching technique. Spectroscopic studies indicated that there is a greater possibility for the copper ions to exist in Cu 2+ state in these glasses. The optical absorption spectra indicated that the absorption peak of Cu 2+ is a function of composition. The maxima absorption peak was reported at 862 nm for strontium lead zinc phosphate glass. Bonding parameters were calculated for the optical and EPR data. All these spectral results indicated clearly that there are certain structural changes in the present glass system with different alkaline earth contents. The IR and Raman spectra noticed the breaking of the P–O–P bonds and creating more number of new P–O–Cu bonds

  12. Adsorption of alkali and alkaline-earth metal atoms on stanene: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Kadioglu, Yelda; Ersan, Fatih [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Gökoğlu, Gökhan [Department of Physics, Karabük University, 78050 Karabük (Turkey); Aktürk, Olcay Üzengi [Department of Electrical & Electronics Engineering, Adnan Menderes University, 09100 Aydın (Turkey); Nanotechnology Application and Research Center, Adnan Menderes University, 09100 Aydın (Turkey); Aktürk, Ethem, E-mail: ethem.akturk@adu.edu.tr [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Nanotechnology Application and Research Center, Adnan Menderes University, 09100 Aydın (Turkey)

    2016-09-01

    This paper presents a study on the adsorption of alkali and alkaline-earth metal atoms on single-layer stanene with different levels of coverage using first-principles plane wave calculations within spin-polarized density functional theory. The most favorable adsorption site for alkali atoms (Li, Na, K) were found to be the hollow site similar to other group IV single-layers, but the case of alkaline-earths on stanene is different from silicene and germanene. Whereas Mg and Ca are bound to stanene at hollow site, the bridge site is found to be energetically favorable for Be adatom. All adsorbed atoms are positively charged due to the charge transfer from adatom to stanene single-layer. The semimetallic bare stanene become metallic except for Be adsorption. The Beryllium adsorption give rise to non-magnetic semiconducting ground state. Our results illustrate that stanene has a reactive and functionalizable surface similar to graphene or silicene. - Highlights: • Alkali and alkaline-earth metal atoms form stronger bonds with stanene compared to other group IV monolayers. • Semi-metallic stanene becomes nonmagnetic metal for Li, Na, K, Mg, and Ca atoms adsorption. • Semi-metallic stanene becomes nonmagnetic semiconductor with 94 meV band gap for Be atom adsorption.

  13. Alkaline earth metal doped tin oxide as a novel oxygen storage material

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Qiang, E-mail: dong@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Yin, Shu; Yoshida, Mizuki; Wu, Xiaoyong; Liu, Bin [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Miura, Akira; Takei, Takahiro; Kumada, Nobuhiro [Department of Research Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, Miyamae cho-7, Kofu 400-8511 (Japan); Sato, Tsugio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan)

    2015-09-15

    Alkaline earth metal doped tin oxide (SnO{sub 2}) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl{sub 4}·5H{sub 2}O and A(NO{sub 3}){sub 2}·xH{sub 2}O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO{sub 2} and A-doped SnO{sub 2} hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tin oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO{sub 2} hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m{sup 2} g{sup −1} exhibited the considerably high OSC of 457 μmol-O g{sup −1} and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material.

  14. Alkaline-earth metal bicarbonates as lixiviants for uranium (VI) under CO2 sparging

    International Nuclear Information System (INIS)

    Vaziri, F.; White, D.A.

    1989-01-01

    In recent years it has become apparent that uranium is significantly soluble in solutions of alkaline-earth metal bicarbonates -particularly those of magnesium and calcium. A system has been proposed by previous authors in which milled uranium ore is leached in a medium to which an oxidizing agent, the metal hydroxide and CO 2 are added. The alkaline-earth metal hydroxides are much more readily soluble in this medium than the corresponding carbonates. Magnesium and calcium bicarbonates are quite soluble in aqueous media at neutral or nearly neutral pH. The pH determines the relative quantities of bicarbonate and carbonate ions in the system. Even if the pH is quite low, small amounts of carbonate ion are present that can complex with the uranyl ion to produce anionic uranyl complexes. Both UO 2 (CO 3 ) 2 2- and UO 2 (CO 3 ) 3 4- complexes are known and both have a very high stability constant. Despite the appearance of several patents on the use of alkaline-earth metal ions in carbonate media as uranium lixiviants, little theoretical or experimental work on the system has been published. In view of the potential of these systems for cheap, large-scale dissolution of uranium the present contribution will discuss the theory behind this method and provide some experimental data to verify the theoretical treatment. (author)

  15. Synthesis and physicochemical investigation of complexes of rare earth, alkaline earth elements and copper with some β-diketones

    International Nuclear Information System (INIS)

    Nichiporuk, R.V.; Pechurova, N.I.; Snezhko, N.I.; Martynenko, L.I.; Kaul', A.R.; Zanina, A.S.; Shergina, S.I.; Sokolov, I.E.

    1991-01-01

    Complexes of rare earth, alkaline earth elements and copper with 2-methoxy-2,6,6-trimethylheptanedion-3,5 as well as complexes of yttrium and barium with 2-methoxy-2,6-dimethylheptanedion-3,5 were synthesized. Prepared complexes were investigated by the methods of chemical, thermal, X-ray phase analyses, IR spectroscopy. Complex sublimation was studied at 10 -1 -10 -2 mm Hg. Complexes of rare earths and copper don't change their composition during sublimation, and sublimation of hydrated complexes of barium, strontium and calcium leads to formation of anhydrous complexes. All prepared complexes are able to transsublimate multiply and qualitatively without change of composition. All isolated complexes can be used for preparation of film oxide coatings by CVD method

  16. Isotope exchange between alkaline earth metal hydroxide and HTO water in the equilibrium state

    International Nuclear Information System (INIS)

    Imaizumi, H.; Gounome, J.; Kano, N.

    1997-01-01

    In order reveal to what extent tritium ( 3 H or T) can be incorporated into hydroxides, the isotope exchange reaction (OT-for-OH exchange reaction) between each alkaline earth metal hydroxide (M(OH) 2 ), where M means alkaline earth metal (M=Ca, Sr or Ba) and HTO water was observed homogeneously at 30 deg C under equilibrium after mixing. Consequently, the followings were obtained: a quantitative relation between the electronegativity of each M ion and the ability (of the M ion) incorporating OT - into the M hydroxide can be found and the ability is small when the temperature is high, the exchange rate for the OT-for-OH exchange reaction is small when the electronegativity of the M ion in the M hydroxide is great, as for the dissociation of HTO water, it seems that formula (HTO ↔ T + + OH - ) is more predominant than the formula (HTO ↔H + + OT - ) when the temperature is high and the method used in this work is useful to estimate the reactivity of a certain alkaline material. (author)

  17. Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

    International Nuclear Information System (INIS)

    Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing

    2016-01-01

    Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg 2+ , Ca 2+ and Ba 2+ ) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO) 4 , which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (4 4 ·6 2 ) 3 (4 9 ·6 6 ) 2 . The calcium compound consists of 1D infinite “Ca-O” inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D “Ba-O” inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions’ influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies. - Graphical abstract: Three alkaline

  18. Superconductivity in alkaline earth-substituted La2CuO/sub 4-y/

    International Nuclear Information System (INIS)

    Bednorz, J.G.; Mueller, K.A.; Takashige, M.

    1987-01-01

    La 2 CuO/sub 4-y/ ceramics containing a few percent of Ca 2+ , Sr 2+ , and Ba 2+ ions have been prepared. Resistivity and susceptibility measurements exhibit superconductive onsets (as in earlier Ba 2+ -containing samples). The onset temperature La 2 CuO/sub 4-y/ with Sr 2+ is higher and its superconductivity-induced diamagnetism larger than that found with Ba 2+ and Ca 2+ . This is proof that the electronic change resulting from alkaline earth-doping, rather than the size effect, is responsible for superconductivity. The ionic radius of Sr 2+ is close to that of La 3+ for which it presumably substitutes

  19. Subthermal linewidths in photoassociation spectra of cold alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Machholm, Mette; Julienne, Paul S.; Suominen, Kalle-Antti

    2002-01-01

    Narrow s-wave features with subthermal widths are predicted for the 1 Π g photoassociation spectra of cold alkaline-earth-metal atoms. The phenomenon is explained by numerical and analytical calculations. These show that only a small subthermal range of collision energies near threshold contributes to the s-wave features that are excited when the atoms are very far apart. The resonances survive thermal averaging, and may be detectable for Ca cooled near the Doppler cooling temperature of the 4 1 P 1 S laser-cooling transition

  20. Apparent molar volumes and compressibilities of alkaline earth metal ions in methanol and dimethylsulfoxide

    International Nuclear Information System (INIS)

    Warminska, Dorota; Wawer, Jaroslaw; Grzybkowski, Waclaw

    2010-01-01

    Temperature dependencies of density of magnesium (II), calcium (II), strontium (II), barium (II) perchlorates as well as beryllium (II), and sodium trifluoromethanesulfonates in methanol and dimethylsulfoxide have been determined over the composition range studied. From density data the apparent molar volumes and partial molar volumes of the salts at infinite dilution as well as the expansibilities have been evaluated. The apparent molar isentropic compressibilities of alkaline earth metal perchlorates and beryllium (II) and sodium triflates in methanol and DMSO have been calculated from sound speed data obtained at T = 298.15 K.

  1. Hyperfine structure of 2Σ molecules containing alkaline-earth-metal atoms

    Science.gov (United States)

    Aldegunde, Jesus; Hutson, Jeremy M.

    2018-04-01

    Ultracold molecules with both electron spin and an electric dipole moment offer new possibilities in quantum science. We use density-functional theory to calculate hyperfine coupling constants for a selection of molecules important in this area, including RbSr, LiYb, RbYb, CaF, and SrF. We find substantial hyperfine coupling constants for the fermionic isotopes of the alkaline-earth-metal and Yb atoms. We discuss the hyperfine level patterns and Zeeman splittings expected for these molecules. The results will be important both to experiments aimed at forming ultracold open-shell molecules and to their applications.

  2. Calculation of the electronic structure and contact hyperfine parameters of interstitial hydrogen in alkaline - earth fluorides

    International Nuclear Information System (INIS)

    Oliveira, L.E.M.C. de.

    1976-01-01

    The electronic structure of the interstitial hydrogen atom in alkaline-earth fluorides has been studied using the self-consistent-field multiple-scattering Xα method. In the calculations a cluster constituted by the hydrogen atom and its first anion and cation neighbors has been used. The contact parameters with the proton and the fluorine nuclei have been evaluated. The agreement obtained with the experimental results is in general good and indicates that this method is also appropriate to study defects in ionic crystals. (author) [pt

  3. Dansyl - Substituted Aza Crown Ethers: Complexation with Alkali, Alkaline Earth Metal Ions and Ammonium

    Science.gov (United States)

    Deiab, Shihab; Archibong, Edikan; Tasheva, Donka; Mochona, Bereket; Gangapuram, Madhavi; Redda, Kinfe

    2011-01-01

    The present study investigates the binding properties of four dansyl substituted aza-crown ethers with alkali, alkaline earth metal ions and ammonium. The influence of the solvent polarity and protonation on the photophysical properties of the compounds was studied by UV/Vis and fluorescence methods. The host species caused only slight changes on the absorption spectra of the ligands. The fluorescence changes were more pronounced and concentration dependent thus allowing to calculate the binding constants of the process. The most stable complex under our working conditions was the one between Ba2+ and DNS18C6. PMID:21738561

  4. Competitive solvent extraction of alkaline-earth cations into chloroform by lipophilic acyclic polyether dicarboxylic acids

    International Nuclear Information System (INIS)

    Kang, S.I.; Czech, A.; Czech, B.P.; Stewart, L.E.; Bartsch, R.A.

    1985-01-01

    Competitive solvent extraction of alkaline-earth cations from aqueous solutions into chloroform by a series of lipophilic acyclic polyether dicarboxylic acids is reported. The influence of polyether chain length and of terminal carboxylic acid group variation upon extraction selectivity and efficiency is assessed. In the competitive extraction of concentrated magnesium, calcium, strontium and barium chloride solutions, one complexing agent exhibits pronounced selectivity for barium with Ba 2+ /S 2+ = 50, Ba 2+ /Ca 2+ = 250, and no detectable Mg 2+ extraction. 20 references, 3 figures, 1 table

  5. Two-photon Doppler cooling of alkaline-earth-metal and ytterbium atoms

    International Nuclear Information System (INIS)

    Magno, Wictor C.; Cavasso Filho, Reinaldo L.; Cruz, Flavio C.

    2003-01-01

    The possibility of laser cooling of alkaline-earth-metal atoms and ytterbium atoms using a two-photon transition is analyzed. We consider a 1 S 0 - 1 S 0 transition with excitation in near resonance with the 1 P 1 level. This greatly increases the two-photon transition rate, allowing an effective transfer of momentum. The experimental implementation of this technique is discussed and we show that for calcium, for example, two-photon cooling can be used to achieve a Doppler limit of 123 μK. The efficiency of this cooling scheme and the main loss mechanisms are analyzed

  6. Novel Extraction Process Of Rare Earth Elements From NdFeB Powders Via Alkaline Treatment

    Directory of Open Access Journals (Sweden)

    Chung K.W.

    2015-06-01

    Full Text Available The alkaline treatment of NdFeB powders in NaOH solution at various equivalent amounts of NaOH at 100°C was performed. The resultant powders were then leached in 0.5M H2SO4 solution at 25°C for 2 minutes. At 5 equivalents of NaOH, neodymium in NdFeB powders was partially transformed to neodymium hydroxide. The transformation of neodymium to neodymium hydroxide actually occurred at 10 equivalents of NaOH and was facilitated by increasing the equivalent of NaOH from 10 to 30. In addition, iron was partially transformed to magnetite during the alkaline treatment, which was also promoted at a higher equivalent of NaOH. The leaching yield of neodymium from alkaline-treated powders was increased with an increasing equivalent of NaOH up to 10; however, it slightly decreased with the equivalent NaOH of over 10. The leaching yield of iron was inversely proportional to that of rare earth elements. NdFeB powders treated at 10 equivalents of NaOH showed a maximum leaching yield of neodymium and dysprosium of 91.6% and 94.6%, respectively, and the lowest leaching yield of iron of 24.2%, resulting in the highest selective leaching efficiency of 69.4%.

  7. Change of sulfide inclusions in steel microalloying with rare earth and alkaline-earth elements

    International Nuclear Information System (INIS)

    Averin, V.V.; Polonskaya, S.M.; Chistyakov, V.F.

    1977-01-01

    The conditions for the formation of sulfides in molten and solid iron were determined by considering the thermodynamics of the interaction of sulfur and of oxygen with various components. It was shown in casting of low-carbon steel under a blanket of slag-forming briquettes, calcium of the silicocalcium partly passes to iron and to the sulfide phase. The sulfide inclusions with calcium in rolling become lens-shaped and acquire a greater strength, proportional to the content of calcium, thus ensuring a lesser anisotropy of steel. The change in the shape and the composition of sulfide inclusions effects the fracture of the metal which changes in type from separation along lamellar inclusions to a plastic fracture, i.e., enhances resilience. It is thus noted that rare-earth and alkali-earth elements, in particular, cerium and calcium are promising agents for desulfurating molten iron

  8. Health Effects of Alkaline Diet and Water, Reduction of Digestive-tract Bacterial Load, and Earthing.

    Science.gov (United States)

    Mousa, Haider Abdul-Lateef

    2016-04-01

    In the article, the author discusses the issue of chronic, low-grade acidosis that is thought to be brought about primarily by 2 factors: (1) advancing age, with a consequent decline in renal function; and (2) diet. An acid-forming diet can induce low-grade metabolic acidosis, which causes very small decreases in blood pH and plasma bicarbonate (HCO3-) that remain within the range considered to be normal. However, if the duration of the acidosis is prolonged or chronically present, even a low degree of acidosis can become significant. This article reviews supporting evidence in the literature that has shown that consumption of abundant alkaline-forming foods can result in improvement in bone mineral density (BMD) and muscle mass, protection from chronic illnesses, reduced tumor-cell invasion and metastasis, and effective excretion of toxins from the body. In addition, a large number of studies showing the benefits of alkaline water (mineral water) have revealed that people consuming water with a high level of total dissolved solids (TDS) (ie, with a high mineral content) have shown a lower incidence of coronary heart disease (CHD), cardiovascular disease (CVD), and cancer and lower total mortality rates. Consumption of alkaline water also may prevent osteoporosis and protect pancreatic beta cells with its antioxidant effects. In addition, this article discusses the literature that shows that reducing digestive-tract bacterial load can play an important role in increasing blood alkalinity toward the normal upper limit. That change occurs through good oral hygiene, flossing of teeth, perfect chewing of food, and bowel evacuation as soon as possible. Finally, the author reviews the literature that shows that earthing (ie, the direct contact of the human body with the earth) can supply a current of plentiful electrons. Earthing has been shown to reduce acute and chronic inflammation, blood glucose in patients with diabetes, red blood cell (RBC) aggregation, and blood

  9. Tensorial analysis of the long-range interaction between metastable alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Santra, Robin; Greene, Chris H.

    2003-01-01

    Alkaline-earth-metal atoms in their lowest (nsnp) 3 P 2 state are exceptionally long lived and can be trapped magnetically. The nonspherical atomic structure leads to anisotropic long-range interactions between two metastable alkaline-earth-metal atoms. The anisotropy affects the rotational motion of the diatomic system and couples states of different rotational quantum numbers. This paper develops a tensorial decomposition of the most important long-range interaction operators, and a systematic inclusion of molecular rotations, in the presence of an external magnetic field. This analysis illuminates the nature of the coupling between the various degrees of freedom. The consequences are illustrated by application to a system of practical interest: metastable 88 Sr. Using atomic parameters determined in a nearly ab initio calculation, we compute adiabatic potential-energy curves. The anisotropic interatomic interaction, in combination with the applied magnetic field, is demonstrated to induce the formation of a long-range molecular potential well. This curve correlates to two fully polarized, low-field seeking atoms in a rotational s-wave state. The coupling among molecular rotational states controls the existence of the potential well, and its properties vary as a function of magnetic-field strength, thus allowing the scattering length in this state to be tuned. The scattering length of metastable 88 Sr displays a resonance at a field of 339 G

  10. Steam Gasification of Sawdust Biochar Influenced by Chemical Speciation of Alkali and Alkaline Earth Metallic Species

    Directory of Open Access Journals (Sweden)

    Dongdong Feng

    2018-01-01

    Full Text Available The effect of chemical speciation (H2O/NH4Ac/HCl-soluble and insoluble of alkali and alkaline earth metallic species on the steam gasification of sawdust biochar was investigated in a lab-scale, fixed-bed reactor, with the method of chemical fractionation analysis. The changes in biochar structures and the evolution of biochar reactivity are discussed, with a focus on the contributions of the chemical speciation of alkali and alkaline earth metallic species (AAEMs on the steam gasification of biochar. The results indicate that H2O/NH4Ac/HCl-soluble AAEMs have a significant effect on biochar gasification rates. The release of K occurs mainly in the form of inorganic salts and hydrated ions, while that of Ca occurs mainly as organic ones. The sp3-rich or sp2-sp3 structures and different chemical-speciation AAEMs function together as the preferred active sites during steam gasification. H2O/HCl-soluble AAEMs could promote the transformation of biochar surface functional groups, from ether/alkene C-O-C to carboxylate COO− in biochar, while they may both be improved by NH4Ac-soluble AAEMs. H2O-soluble AAEMs play a crucial catalytic role in biochar reactivity. The effect of NH4Ac-soluble AAEMs is mainly concentrated in the high-conversion stage (biochar conversion >30%, while that of HCl-soluble AAEMs is reflected in the whole activity-testing stage.

  11. Raman and 11B nuclear magnetic resonance spectroscopic studies of alkaline-earth lanthanoborate glasses

    International Nuclear Information System (INIS)

    Brow, R.K.; Tallant, D.R.; Turner, G.L.

    1996-01-01

    Glasses from the RO·La 2 O 3 ·B 2 O 3 (R = Mg, Ca, and Ba) systems have been examined. Glass formation is centered along the metaborate tie line, from La(BO 2 ) 3 to R(BO 2 ) 2 . Glasses generally have transition temperatures >600 C and expansion coefficients between 60 x 10 -7 /C and 100 x 10 -7 /C. Raman and solid-state nuclear magnetic resonance spectroscopies reveal changes in the metaborate network that depend on both the [R]:[La] ratio and the type of alkaline-earth ion. The fraction of tetrahedral sites is generally reduced in alkaline-earth-rich glasses, with magnesium glasses possessing the lowest concentration of B[4]. Raman spectra indicate that, with increasing [R]:[La] ratio, the preferred metaborate anion changes from a double-chain structure associated with crystalline La(BO 2 ) 3 to the single-chain and ring metaborate anions found in crystalline R(BO 2 ) 2 phases. In addition, disproportionation of the metaborate anions leads to the formation of a variety of other species, including pyroborates with terminal oxygens and more-polymerized species, such as diborates, with tetrahedral borons. Such structural changes are related to the ease of glass formation and some of the glass properties

  12. Separation of strontium ions from other alkaline earth metal ions using masking reagent

    International Nuclear Information System (INIS)

    Komatsu, Y.

    1996-01-01

    Cs + and Sr 2+ have been well known as serious elements in high level radioactive waste. Separation of Cs + has already been successful when using an ion-exchange method from solution in the presence of other alkali metal ions. The separation of Sr 2+ is, however, not so easy by any known separation method such as solvent-extraction and ion-exchange methods. This is because Sr 2+ is in the middle of the selectivity series, which is Mg 2+ > Ca 2+ > Sr 2+ > Ba 2+ for the solvent-extraction method and Ba 2+ > Sr 2+ > Ca 2+ > Mg 2+ for the ion- exchange method. In the present study, separation of strontium from other alkaline earth metal ions was studied by a combined use of three types of separation methods at 298 K: the solvent-extraction method was applied for the first separation, in which thenoyltrifluoroacetone (TTA, extractant) and trioctylphosphine oxide ( TOPO, adduct forming ligand) were used for the organic phase of the system. The separation factors for each combination of four alkaline earth metal ions were determined by the values of the distribution ratio. The Mg 2+ was well separated from Sr 2+ by the TTA-TOPO system. However, the separation of the combinations of Ca 2+ -Sr 2+ and Sr 2+ -Ba 2+ was not complete by the above solvent-extraction system. The second separation method, an ion-exchange method was applied using dihydrogen tetratitanate hydrate fibers (H 2 Ti 4 O 9 nH 2 O) as an ion exchanger to separate Sr 2+ and Ba 2+ . The separation factors for each combination of four alkaline earth metal ions were calculated by the values of the distribution coefficients. Ba 2+ was well separated from Sr 2+ by the ion-exchange method. To separate Ca 2+ and Sr 2+ , however, a modified solvent-extraction method was finally used in which H 2 Ti 4 O 9 nH 2 O was used as a masking reagent of Sr 2+ . After the dihydrogen tetratitanate hydrate fibers were contacted with the aqueous solution containing Ca 2+ and Sr 2+ , the organic solution containing TTA and TOPO

  13. The intercalation chemistry of layered iron chalcogenide superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Vivanco, Hector K.; Rodriguez, Efrain E., E-mail: efrain@umd.edu

    2016-10-15

    The iron chalcogenides FeSe and FeS are superconductors composed of two-dimensional sheets held together by van der Waals interactions, which makes them prime candidates for the intercalation of various guest species. We review the intercalation chemistry of FeSe and FeS superconductors and discuss their synthesis, structure, and physical properties. Before we review the latest work in this area, we provide a brief background on the intercalation chemistry of other inorganic materials that exhibit enhanced superconducting properties upon intercalation, which include the transition metal dichalcogenides, fullerenes, and layered cobalt oxides. From past studies of these intercalated superconductors, we discuss the role of the intercalates in terms of charge doping, structural distortions, and Fermi surface reconstruction. We also briefly review the physical and chemical properties of the host materials—mackinawite-type FeS and β-FeSe. The three types of intercalates for the iron chalcogenides can be placed in three categories: 1.) alkali and alkaline earth cations intercalated through the liquid ammonia technique; 2.) cations intercalated with organic amines such as ethylenediamine; and 3.) layered hydroxides intercalated during hydrothermal conditions. A recurring theme in these studies is the role of the intercalated guest in electron doping the chalcogenide host and in enhancing the two-dimensionality of the electronic structure by spacing the FeSe layers apart. We end this review discussing possible new avenues in the intercalation chemistry of transition metal monochalcogenides, and the promise of these materials as a unique set of new inorganic two-dimensional systems.

  14. Relations between structure and material properties in earth alkaline silicate basing phosphors; Struktureigenschaftsbeziehungen in Erdalkalisilikat basierenden Leuchtstoffen

    Energy Technology Data Exchange (ETDEWEB)

    Hempel, Wolfgang

    2008-03-19

    This work is basing on the relation between structure and luminescence of Eu{sup 2+} doped Earth-Alkaline-Silicates. After an overview of Earth-Alkaline-Silicates silicates with an additional cation (Li{sup +}, Al{sup 3+}) and an additional anion (Cl{sup -}, N{sup 3-}) are examined in chapter 4 and 5. Basing on this data an relation between structural influence - like ion-radii, anion and coordination polyeder - and phosphor luminescence is set up. The ability of using as an industrial phosphor is made in the final chapter. (orig.)

  15. REDOX BEHAVIOR AND DIFFUSIVITY OF ANTIMONY AND CERIUM ION IN ALKALI ALKALINE EARTH SILICATE GLASS MELTS

    Directory of Open Access Journals (Sweden)

    K. D. Kim

    2010-03-01

    Full Text Available Redox behavior and diffusivity of antimony and cerium ion in alkali alkaline earth silicate CRT (Cathode Ray Tube model glass melts were studied by means of square wave voltammetry under the frequency range of 5-1000 Hz and in the temperature range of 800-1400°C. According to voltammogram, peaks due to Sb³⁺/Sb⁰ were positioned in the negative potential region while peaks due to Sb⁵⁺/Sb³⁺ and Ce⁴⁺/Ce³⁺ were found in the positive potential region. By using some equations, correlation for peak potential versus temperature and peak current versus reciprocal frequency was examined, respectively. Their correlation showed a linear relation in the applied temperature and frequency range. Based on the linear relationship, thermodynamic and kinetic properties for each redox reaction were suggested.

  16. Crystal and defect chemistry influences on band gap trends in alkaline earth perovskites

    International Nuclear Information System (INIS)

    Lee, Soonil; Woodford, William H.; Randall, Clive A.

    2008-01-01

    A number of perovskites with A-site alkaline earth chemistries being Ca, Sr, and Ba, and tetravalent cations including Ce, Zr, and Ti are measured for optical band gap and found to vary systematically with tolerance factor and lattice volume within limits defined by the chemistry of the octahedral site. This paper also focuses on the BaTiO 3 system, considering equilibrated nonstoichiometries, and determines the changes in band gap with respect to Ba/Ti ratios. It was found that the optical band gap changes in the solid solution regime and is invariant in the second phase regions, as would be expected. In the cases of Ba/Ti 1.0 stoichiometries, there is a distinct Urbach tail and the trend with lattice volume no longer holds. It is inferred that the V Ti q prime-2V O partial Schottky complex controls the band gap trend with Ba-rich nonstoichiometries

  17. Ion exchange kinetics of alkaline earths on Zr(IV) arsenosilicate cation exchanger

    International Nuclear Information System (INIS)

    Varshney, K.G.; Agrawal, S.; Varshney, K.

    1984-01-01

    A new approach based on the Nernst-Planck equations was applied to study the ion exchange kinetics for the exchange reactions of Mg(II), Ca(II), Sr(II) and Ba(II) with H + -ions at various temperatures on the zirconium(IV) arsenosilicate phase. Under the conditions of particle diffusion, the rate of exchange was found to be independent of the metal ion concentration at and above 0.1 M in aqueous medium. Energy and entropy of activation were determined and found to vary linearly with the ionic radii and mobilities of alkaline earths, a unique feature observed for an inorganic ion exchanger. The results are useful for predicting the ion exchange processes occurring on the surface of an inorganic material of the type studied. (author)

  18. Superexchange-mediated magnetization dynamics with ultracold alkaline-earth atoms in an optical lattice

    International Nuclear Information System (INIS)

    Zhu Shaobing; Qian Jun; Wang Yuzhu

    2017-01-01

    Superexchange and inter-orbital spin-exchange interactions are key ingredients for understanding (orbital) quantum magnetism in strongly correlated systems and have been realized in ultracold atomic gases. Here we study the spin dynamics of ultracold alkaline-earth atoms in an optical lattice when the two exchange interactions coexist. In the superexchange interaction dominating regime, we find that the time-resolved spin imbalance shows a remarkable modulated oscillation, which can be attributed to the interplay between local and nonlocal quantum mechanical exchange mechanisms. Moreover, the filling of the long-lived excited atoms affects the collapse and revival of the magnetization dynamics. These observations can be realized in state-dependent optical lattices combined with the state-of-the-art advances in optical lattice clock spectroscopy. (paper)

  19. Prolonged QT Syndrome and Seizure Secondary to Alkaline Earth Metal Deficiency: A Case Report

    Directory of Open Access Journals (Sweden)

    A. McKinney

    2011-01-01

    Full Text Available Introduction. Alkaline earth metal deficiency is recognized as a cause of both seizure and long QT syndrome. Their deficiency can have significant repercussions on the function of cells, tissues, and organs of the body. An understanding of the role of electrolytes allows an appreciation of the significance of depleted levels on cell function. Case Report. A 65-year-old lady was admitted with symptoms of chest discomfort, vomiting, increased stoma output, and dizziness. Two days following admission she suffered a tonic-clonic seizure. ECG review demonstrated a prolonged QTc interval, raising the possibility of an underlying Torsades de Pointes as the precipitant. This was attributed to electrolyte disturbance arising as a result of multiple aetiologies. Discussion. This paper highlights the multisystem effects of electrolyte disturbance, with emphasis upon its role in precipitating cardiac arrhythmia and neurological symptoms.

  20. Topological Fractional Pumping with Alkaline-Earth-Like Atoms in Synthetic Lattices

    Science.gov (United States)

    Taddia, Luca; Cornfeld, Eyal; Rossini, Davide; Mazza, Leonardo; Sela, Eran; Fazio, Rosario

    2017-06-01

    Alkaline-earth(-like) atoms, trapped in optical lattices and in the presence of an external gauge field, can form insulating states at given fractional fillings. We will show that, by exploiting these properties, it is possible to realize a topological fractional pump. Our analysis is based on a many-body adiabatic expansion, on simulations with time-dependent matrix product states, and, for a specific form of atom-atom interaction, on an exactly solvable model of fractional pump. The numerical simulations allow us to consider a realistic setup amenable of an experimental realization. As a further consequence, the measure of the center-of-mass shift of the atomic cloud would constitute the first measurement of a many-body Chern number in a cold-atom experiment.

  1. IRON REDOX EQUILIBRIUM AND DIFFUSIVITY IN MIXED ALKALI-ALKALINE EARTH-SILICA GLASS MELTS

    Directory of Open Access Journals (Sweden)

    KI-DONG KIM

    2011-03-01

    Full Text Available Dependence of redox behavior and diffusivity of iron on temperature and composition was studied in mixed alkali-alkaline earth-silica glass melts by means of square wave voltammetry (SWV. The voltammograms showed that irrespective of K2O/(Na2O+K2O the peak potential due to Fe3+/Fe2+ moved toward negative direction with temperature decrease and the peak current showed a strong dependence on frequency at constant temperature. Iron diffusion coefficient versus melt viscosity showed a good linearity. The compositional dependence showed that the peak potential shifted to the positive direction with increase of K2O but a typical mixed alkali effect occurred in iron diffusion either at constant temperature or at constant viscosity.

  2. Enhanced NO2 abatement by alkaline-earth modified g-C3N4 nanocomposites for efficient air purification

    Science.gov (United States)

    Papailias, Ilias; Todorova, Nadia; Giannakopoulou, Tatiana; Karapati, Sofia; Boukos, Nikos; Dimotikali, Dimitra; Trapalis, Christos

    2018-02-01

    The emission of nitrogen dioxide (NO2) is a major problem encountered in photocatalytic NOx removal for air purification. Although the oxidation of nitric oxide (NO) has been extensively studied, the elimination of NO2 byproduct is still in preliminary stage. In this work, alkaline-earth modified graphitic carbon nitride (g-C3N4) is proposed for efficient NOx removal by minimizing the emission of NO2 during the NO oxidation process. The novel photocatalysts were synthesized by annealing mixtures of melamine and various alkaline-earth acetates (magnesium, calcium and barium acetate) at 550 °C for 3 h. The specific surface area of the photocatalysts varied between 4.65 and 11.81 m2/g. The formation of MgO, CaCO3 and BaCO3 was demonstrated by XPS and FT-IR analyses. The initial concentration of each alkaline-earth precursor was 5 and 10 wt%, while the final metal concentration in the nanocomposites was in the range of 7.19-22.39 wt%. The modified photocatalysts showed slightly reduced NO oxidation ability. However, the overall air quality was significantly improved by restraining the NO2 emission. The results were related to the basic character of the nanocomposites due to the presence of alkaline-earths and their enhanced NO2 adsorption capability.

  3. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.; Babb, J. F.; Mitroy, J.; Sadeghpour, H. R.; Schwingenschlö gl, Udo; Yan, Z.-C.

    2013-01-01

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

  4. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.

    2013-04-05

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

  5. Studies on the determination of trace amounts of nitrogen along with alkali and alkaline earth elements in uranium based samples by ion-chromatography (IC)

    International Nuclear Information System (INIS)

    Verma, Poonam; Rastogi, R.K.; Ramakumar, K.L.

    2006-12-01

    Present report describes an ion chromatography (IC) method with suppressed conductivity detection for the determination of traces of nitrogen along with alkali and alkaline earth elements in uranium based nuclear fuels. Method was developed to determine nitrogen as NH 4 + along with alkali and alkaline earth cations by IC using a cation exchange column. (author)

  6. Removal of alkaline-earth elements by a carbonate precipitation in a chloride molten salt

    International Nuclear Information System (INIS)

    Yung-Zun Cho; In-Tae Kim; Hee-Chui Yang; Hee-Chui Eun; Hwan-Seo Park; Eung-Ho Kim

    2007-01-01

    Separation of some alkaline-earth chlorides (Sr, Ba) was investigated by using carbonate injection method in LiCl-KCl eutectic and LiCl molten salts. The effects of the injected molar ratio of carbonate([K 2 (or Li 2 )CO 3 /Sr(or Ba)Cl 2 ]) and the temperature(450-750 deg.) on the conversion ratio of the Sr or Ba carbonate were determined. In addition, the form of the Sr and Ba carbonate resulting from the carbonation reaction with carbonates was identified via XRD and SEM-EDS analysis. In these experiments, the carbonate injection method can remove Sr and Ba chlorides effectively over 99% in both LiCl-KCl eutectic and LiCl molten salt conditions. When Sr and Ba were co-presented in the eutectic molten salt, they were carbonated in a form of Ba 0.5 Sr 0.3 CO 3 . And when Sr was present in LiCl molten salt, it was carbonated in the form of SrCO 3 . Carbonation ratio increased with a decreasing temperature and it was more favorable in the case of a K 2 CO 3 injection than that of Li 2 CO 3 . Based on this experiment, it is postulated that carbonate precipitation method has the potential for removing alkali-earth chlorides from LiCl-KCl eutectic and LiCl molten salts. (authors)

  7. Characterization of alkali-metal and alkaline-earth nitrates by vibrational spectroscopy

    Directory of Open Access Journals (Sweden)

    Martínez, S.

    1992-09-01

    Full Text Available Infrared spectra of sodium and potassium alkaline-metal nitrates and magnesium and calcium alkali-earth nitrates in solid phase had been recorded in order to assign the fundamental bands. The influence of the dispersal médium (alkaline halide, employed in the solid sample preparation have been discussed. The quantitative measurements of the band in ten sities at 1387 cm-1 (present in the I.R. spectra of the four nitrates in KBr médium allowed us to determine the Lambert-Beer law slopes for each compound. These values are differents (bearing in mind experimental random errors, so we have could to affirm the nonexistence of solid solution between the nitrate and the alkaline halide médium. The L-B law obtained by us can be used for the Identification differentiation and quantitative analysis of these nitrates in solid phase, even if they are present in a very low concentration.

    Se ha realizado la asignación de los espectros infrarrojo (IR de los nitratos alcalinos, sódico y potásico, y de los alcalinotérreos, magnésico y cálcico, en estado sólido. Se ha visto la influencia del medio dispersante (haluro alcalino, utilizado en la preparación de la muestra sólida. El estudio cuantitativo de la absorbencia de la banda a 1.387 cm-1 (presente en los espectros IR de los cuatro nitratos en medio KBr permite determinar las pendientes de la Ley de Lambert-Beer Se comprueba que dichas pendientes son diferentes lo que conduce a poder afirmar que no se produce disolución sólida entre el KBr y el nitrato alcalino o alcalinotérreo. La determinación de la ley de Lambert-Beer permite la identificación y el análisis cualitativo y cuantitativo por espectroscopia IR de estos nitratos cuando están presentes en bajas concentraciones en muestras sólidas.

  8. Physical and spectroscopic studies of Cr{sup 3+} doped mixed alkaline earth oxide borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Samdani, E-mail: samdanimohd82@gmail.com [Department of Engineering, Salalah College of Technology, Salalah (Oman); Ramadevudu, G. [Department of Physics, Vasavi College of Engineering, Ibrahimbagh, Hyderabad 500031, Telangana (India); Chary, M. Narasimha; Shareefuddin, Md. [Department of Physics, Osmania University, Hyderabad 500007, Telangana (India)

    2017-01-15

    A series of mixed alkaline earth oxide glasses xMgO-(30-x)BaO-69.8B{sub 2}O{sub 3}-0.2Cr{sub 2}O{sub 3} were prepared and studied using electron paramagnetic resonance (EPR), optical absorption, Raman spectroscopy and photoluminescence experimental techniques. The optical absorption spectra revealed the characteristic octahedral symmetry of Cr{sup 3+}ions through three broad band transitions {sup 4}A{sub 2g}(F)→ {sup 4}T{sub 2g}(F), {sup 4}A{sub 2g}(F)→ {sup 4}T{sub 1g}(F), and {sup 4}A{sub 2g}(F)→ {sup 2}T{sub 1g}(P). The crystal field (Dq) and Racah parameters (B and C), the optical band gap and Urbach energies of the glass samples were also reported along with the physical properties like density and molar volume. In the EPR spectra three resonance signals corresponding to Cr3+ ions were observed. A broad signal with g = 5.110 was observed which belongs to the isolated Cr3+ centers localized in the strongly distorted octahedral (rhombic) sites of the glass network, a narrow signal (g = 1.960) corresponding to the Cr{sup 3+} centers in the weekly distorted (cubic) sites of the glass network, and a third very broad signal (g = 2.210) was also observed corresponding to Cr{sup 3+}- Cr{sup 3+} paired centers coupled by magnetic dipolar interaction. Another resonance signal with effective value g ≈ 4.220 was attributed to Fe{sup 3+} ions impurity. The number of spins (N) participating in the resonance and susceptibility (χ) values at room temperature were reported and their values varied in a non-linear manner with the composition exhibiting mixed oxide effect. The estimated molecular bonding coefficients (α) values indicated stronger ionic contribution. The Raman spectral investigations were carried out. The Photoluminescence spectra bands near 690 and 750 nm correspond to the Cr{sup 3+} centers in high and low field sites respectively. - Highlights: • Spectroscopic studies were made on alkaline earth borate glasses. • Three resonance signals

  9. Formation of H a - hydrogen centers upon additive coloration of alkaline-earth fluoride crystals

    Science.gov (United States)

    Radzhabov, E. A.; Egranov, A. V.; Shendrik, R. Yu.

    2017-06-01

    The mechanism of coloration of alkaline-earth fluoride crystals CaF2, SrF2, and BaF2 in calcium vapors in an autoclave with a cold zone is studied. It was found that the pressure in the autoclave upon constant evacuation by a vacuum pump within the temperature range of 500-800°C increases due to evaporation of metal calcium. In addition to the optical-absorption bands of color centers in the additively colored undoped crystals or to the bands of divalent ions in the crystals doped with rare-earth Sm, Yb, and Tm elements, there appear intense bands in the vacuum ultraviolet region at 7.7, 7.0, and 6.025 eV in CaF2, SrF2, and BaF2, respectively. These bands belong to the Ha - hydrogen centers. The formation of hydrogen centers is also confirmed by the appearance of the EPR signal of interstitial hydrogen atoms after X-ray irradiation of the additively colored crystals. Grinding of the outer edges of the colored crystals leads to a decrease in the hydrogen absorption-band intensity with depth to complete disappearance. The rate of hydrogen penetration inside the crystal is lower than the corresponding rate of color centers (anion vacancies) by a factor of tens. The visible color density of the outer regions of the hydrogen-containing crystals is several times lower than that of the inner region due to the competition between the color centers and hydrogen centers.

  10. Distributions of alkali metals, alkaline earth metals and halogens in cabbage leaves

    International Nuclear Information System (INIS)

    Tsukada, Hirofumi; Takeda, Akira; Hasegawa, Hidenao

    2007-01-01

    The distributions of stable elements in plant components provide useful information for understanding the behavior of radionuclides in plants. An entire cabbage plant sample was collected from an experimental field, and the distributions of alkali metals (K, Rb and Cs), alkaline earth metals (Ca, Sr and Ba) and halogens (Cl and I) were determined for cabbage leaves at different positions. The concentration of Cs in outer (older) cabbage leaves was higher than that in inner (younger) leaves, but the distributions of K and Rb concentrations were relatively similar in cabbage leaves, independent of leaf positions. The concentration of Sr in older cabbage leaves was one order of magnitude higher than that in younger leaves. The distributions of Ca, Ba and Sr concentrations in the plant followed a similar pattern. The concentrations of halogens were also very rich in the outer leaves. The percentage distributions of Cs, Sr, Cl and I in the inedible (extreme outer) leaves were 77, 91, 93 and 96% of the total content in the leaf part, respectively. These results show that the inedible plant components are important for understanding the transfer of the radioactive Cs, Sr Cl and I in soil-plant systems. (author)

  11. Surface fractal dimensions and textural properties of mesoporous alkaline-earth hydroxyapatites

    International Nuclear Information System (INIS)

    Vilchis-Granados, J.; Granados-Correa, F.; Barrera-Díaz, C.E.

    2013-01-01

    This work examines the surface fractal dimensions (D f ) and textural properties of three different alkaline-earth hydroxyapatites. Calcium, strontium and barium hydroxyapatite compounds were successfully synthesized via chemical precipitation method and characterized using X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectrometry, Fourier transform infrared spectroscopy, and N 2 -physisorption measurements. Surface fractal dimensions were determined using single N 2 -adsorption/desorption isotherms method to quantify the irregular surface of as-prepared compounds. The obtained materials were also characterized through their surface hydroxyl group content, determined by the mass titration method. It was found that the D f values for the three materials covered the range of 0.77 ± 0.04–2.33 ± 0.11; these results indicated that the materials tend to have smooth surfaces, except the irregular surface of barium hydroxyapatite. Moreover, regarding the synthesized calcium hydroxyapatite exhibited better textural properties compared with the synthesized strontium and barium hydroxyapatites for adsorbent purposes. However, barium hydroxyapatite shows irregular surface, indicating a high population of active sites across the surface, in comparison with the others studied hydroxyapatites. Finally, the results showed a linear correlation between the surface hydroxyl group content at the external surface of materials and their surface fractal dimensions.

  12. 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.

  13. Process for depositing epitaxial alkaline earth oxide onto a substrate and structures prepared with the process

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    1996-01-01

    A process and structure involving a silicon substrate utilize molecular beam epitaxy (MBE) and/or electron beam evaporation methods and an ultra-high vacuum facility to grow a layup of epitaxial alkaline earth oxide films upon the substrate surface. By selecting metal constituents for the oxides and in the appropriate proportions so that the lattice parameter of each oxide grown closely approximates that of the substrate or base layer upon which oxide is grown, lattice strain at the film/film or film/substrate interface of adjacent films is appreciably reduced or relieved. Moreover, by selecting constituents for the oxides so that the lattice parameters of the materials of adjacent oxide films either increase or decrease in size from one parameter to another parameter, a graded layup of films can be grown (with reduced strain levels therebetween) so that the outer film has a lattice parameter which closely approximates that of, and thus accomodates the epitaxial growth of, a pervoskite chosen to be grown upon the outer film.

  14. Nitridomanganates of alkaline-earth metals. Synthesis, structure, and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ovchinnikov, Alexander

    2016-12-02

    The main goal of the present work was the synthesis of alkaline-earth nitridomanganates (AE{sub x}Mn{sub y}N{sub z}) with extended anionic structures and the characterization of their electronic and magnetic properties. Up to now, only compounds with isolated nitridomanganate anions have been reported in the discussed ternary systems. A systematic exploratory synthesis, employing high-temperature treatment of AE nitrides and Mn under controlled N2 pressure, yielded more than ten new nitridomanganates. Their crystal structures contain anionic building blocks of different dimensionalities, ranging from isolated species to three-dimensional frameworks. In general, the formation of Mn-rich compositions was found to be driven by the emergence of Mn-Mn interactions, which creates a link between nitridometalates and transition-metal-rich binary nitrides. The obtained nitridomanganates display a plethora of interesting phenomena, such as large spin-orbit coupling, magnetic frustration, quenching of magnetism due to Mn-Mn interactions, and metal-insulator transition.

  15. Alkaline earth metal and samarium co-doped ceria as efficient electrolytes

    Science.gov (United States)

    Ali, Amjad; Raza, Rizwan; Kaleem Ullah, M.; Rafique, Asia; Wang, Baoyuan; Zhu, Bin

    2018-01-01

    Co-doped ceramic electrolytes M0.1Sm0.1Ce0.8O2-δ (M = Ba, Ca, Mg, and Sr) were synthesized via co-precipitation. The focus of this study was to highlight the effects of alkaline earth metals in doped ceria on the microstructure, densification, conductivity, and performance. The ionic conductivity comparisons of prepared electrolytes in the air atmosphere were studied. It has been observed that Ca0.1Sm0.1Ce0.8O2-δ shows the highest conductivity of 0.124 Scm-1 at 650 °C and a lower activation energy of 0.48 eV. The cell shows a maximum power density of 630 mW cm-2 at 650 °C using hydrogen fuel. The enhancement in conductivity and performance was due to increasing the oxygen vacancies in the ceria lattice with the increasing dopant concentration. The bandgap was calculated from UV-Vis data, which shows a red shift when compared with pure ceria. The average crystallite size is in the range of 37-49 nm. DFT was used to analyze the co-doping structure, and the calculated lattice parameter was compared with the experimental lattice parameter.

  16. Theoretical studies on selectivity of dibenzo-18-crown-6-ether for alkaline earth divalent cations

    Energy Technology Data Exchange (ETDEWEB)

    Heo, Jiyoung [Sangmyung Univ., Seoul (Korea, Republic of)

    2012-04-15

    Crown ether is one of well-known host molecules and able to selectively sequester metal cation. We employed M06-2X density functional theory with IEFPCM and SMD continuum solvation models to study selectivity of dibenzo-18-crown-6-ether (DB18C6) for alkaline earth dications, Ba{sup 2+}, Sr{sup 2+}, Ca{sup 2+}, and Mg{sup 2+} in the gas phase and in aqueous solution. Mg{sup 2+} showed predominantly strong binding affinity in the gas phase because of strong polarization of CO bonds by cation. In aqueous solution, binding free energy differences became smaller among these dications. However, Mg{sup 2+} had the best binding, being incompatible with experimental observations in aqueous solution. The enthalpies of the dication exchange reaction between DB18C6 and water cluster molecules were computed as another estimation of selectivity in aqueous solution. These results also demonstrated that Mg{sup 2+} bound to DB18C6 better than Ba{sup 2+}. We speculated that the species determining selectivity in water could be 2:1 complexes of two DB18C6s and one dication.

  17. Determination of oxygen in ternary uranium oxides by a gravimetric alkaline earth addition method

    International Nuclear Information System (INIS)

    Fujino, T.; Tagawa, H.

    1979-01-01

    The applicability of a gravimetric method based on alkaline earth metal addition for the determination of oxygen in ternary uranium oxides of the tupe M-U-O (M=La, Ce and Th) is described. The oxide sample is mixed with MgO or Basub(2.8)UOsub(5.8) and heated in air under suitable conditions. Because uranium is completely oxidized to the hexavalent state during the reaction, oxygen can be determined from the weight change. Oxygen in Lasub(y)Usub(1-y)Osub(2+x) is determined up to y = 0.8 with a standard deviation for x of +- 0.006 with MgO. For Thsub(y)Usub(1-y)Osub(2+x) the value of x is determined with Basub(2.8)UOsub(5.8) with a standard deviation of +- 0.01 at y = 0.8. For Cesub(y)Usub(1-y)Osub(2+x), the method can be applied only for low cerium concentrations where y = 0-0.2; the value for x with Basub(2.8)UOsub(5.8) at y = 0.2 showed a standard deviation of +- 0.002. (Auth.)

  18. Thermodynamic properties of titanates, zirconates and hafnates of alkaline earth metals

    Energy Technology Data Exchange (ETDEWEB)

    1978-02-01

    The problems are considered arising in critical analysis and choosing recommended values of thermodynamic constants of the series of the most important perovskites-ferroelectrics-titanates, zirconates, and hafnates of alkaline-earth metals finding application in modern radioelectronics. Recommended values of standard thermodynamic values are given: heat capacity Csub(p,298) , enthalpy change H/sub 298/-H/sub 0/, entropy S/sub 298/, heat formation ..delta..Hsub(f,298 ), free energy formation ..delta..Gsub(f,298) , temperatures and heats of phase transitions with indication of errors for the adopted values. The effect of impurities on thermal constants of phase transitions is discussed. The relationships between thermodynamic characteristics of perovskites and crystal structure as well as the effect of orthorhombic distortions of ideal perovskite lattice on entropy of the compounds have been considered. Along with thermodynamic methods of investigation, a great attention is given to other physical methods which have been used for finding temperature regions of phase transitions, Curie points, and temperatures of transition from ferroelectric to paraelectric state. The importance of physical methods is emphasized in those cases when phase transitions are accompanied by small energy changes and are not fixed in measuring heat capacity.

  19. Photoluminescence properties of Er{sup 3+}-doped alkaline earth titanium phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Murthy, D.V.R.; Babu, A. Mohan [Department of Physics, Sri Venkateswara University, Tirupati 517 502 (India); Jamalaiah, B.C. [Department of Physics, Sree Vidyanikethan Engineering College, Tirupati, 517 102 (India); Moorthy, L. Rama, E-mail: lrmphysics@yahoo.co.i [Department of Physics, Sri Venkateswara University, Tirupati 517 502 (India); Jayasimhadri, M.; Jang, Kiwan; Lee, Ho Sueb [Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Yi, Soung Soo [Department of Photonics, Silla University, Pusan 617-736 (Korea, Republic of); Jeong, Jung Hyun [Department of Physics, Pukyong National University, Pusan 608-737 (Korea, Republic of)

    2010-02-18

    Er{sup 3+}-doped alkaline earth titanium phosphate (RTP) glasses with molar composition of 24 (NaPO{sub 3}){sub 6} + 30 KH{sub 2}PO{sub 4} + 25 TiO{sub 2} + 20 RCl{sub 2} + 1 Er{sub 2}O{sub 3} were prepared by melt quenching technique. Judd-Ofelt intensity parameters ({Omega}{sub 2,4,6}) were determined from the experimental oscillator strengths (f{sub exp}) of absorption bands. From these parameters spontaneous emission probabilities (A{sub R}), luminescence branching ratios ({beta}{sub R}) and radiative lifetimes ({tau}{sub R}) have been calculated. Visible and near infrared photoluminescence spectra has been recorded by exciting the samples at 380 and 970 nm respectively. An intense broad emission band at 1.53 {mu}m was observed corresponding to {sup 4}I{sub 13/2} {yields} {sup 4}I{sub 15/2} transition. McCumber theory has been applied to determine the emission cross-sections ({sigma}{sub e}) of the {sup 4}I{sub 13/2} {yields} {sup 4}I{sub 15/2} transition using the absorption cross-sections ({sigma}{sub a}). The lifetimes of {sup 4}S{sub 3/2} level were measured for the glasses by exciting the samples at 540 nm wavelength and the quantum efficiencies were also determined.

  20. Alkaline earth metabolism: a model useful in calculating organ burdens, excretion rates and committed effective dose equivalent conversion factors

    International Nuclear Information System (INIS)

    Johnson, J.R.; Myers, R.C.

    1981-01-01

    Two mathematical models of alkaline earth metabolism in man have been developed from the postulates given in ICRP Publication 20. Both models have recycling between the organs and blood included explicitly, and the first one retains the power function used by the ICRP for diminution in mineral bone from being available for resorption by blood. In the second model, this diminution is represented by secondary compartments in mineral bone. Both models give good agreement with the retention functions developed in ICRP Publication 20. The second one has been incorporated into a larger model which includes the lung and G.I. tract. This overall model has been used to calculate organ burdens excretion rates, and committed effective dose equivalent factors for the more important radioisotopes of the alkaline earth elements for inhalation and ingestion exposures. (author)

  1. Extraction process of U from its ores using solutions of alkaline earth carbonates and bicarbonates in presence of carbon dioxide

    International Nuclear Information System (INIS)

    Floreancig, Antoine; Schuffenecker, Robert.

    1976-01-01

    A process is described for extracting uranium from its ores, either directly in the ore deposit or after such ore bodies have been taken from the ground, comprising an oxidation-leaching stage followed by a recovery stage. The characteristic of this process is that in the leaching process, carbonate and bicarbonate solutions of an alkaline-earth metal are used under a pressure of carbon dioxide between zero and 60 bars and at a temperature of zero to 100 0 C [fr

  2. Effect of alkaline earth metal and magnesium cations on cadmium extraction from chloride solutions by tributyl phosphate

    International Nuclear Information System (INIS)

    Prokuev, V.A.; Belousov, E.A.

    1985-01-01

    At 298 K thermodynamic constants of cadmium (2) extraction from chloride solutions of magnesium, calcium, strontium and barium by tributyl phosphate are calculated. It is established, that logarithm of the thermodynamic extraction constant is in a linear dependence from the change in the cation hydration enthalpy in agqueous solution. It is shown, that activity coefficient of neutral complex CdVCl 2 differs from one, and it is the higher the more stable the complex is in alkaline earth metal chloride solutions

  3. Study of radioactive sources accumulation with application of thermoluminescence dosemeters on the base of alkaline earth metals sulfates

    International Nuclear Information System (INIS)

    Tokbergenov, I.; Sadykov, T.

    2001-01-01

    Methodic for study of accumulation and distribution of radioactive sources in a nature objects is developed. An essence of the method consists of in that quantity of accumulated radioactive sources in a nature objects is defining by absorption dose measured with help of thermoluminescent dosemeters on the base of alkaline earth metals sulfates such as CaSO 4 :Dy and SrSO 4 :Eu

  4. Many-body forces and stability of the alkaline-earth tetramers

    International Nuclear Information System (INIS)

    Diaz-Torrejon, C.C.; Kaplan, Ilya G.

    2011-01-01

    Graphical abstract: Many-body forces effect. In a three-particle system, the two-body interaction energies depend upon coordinates of all three particles. The comparative study of the interaction energy and its many-body decomposition for alkaline-earths tetramers Be 4 , Mg 4 , and Ca 4 at the all-electron CCSD(T)/aug-cc-pVQZ level is performed. For study of dependence of the binding energy and the orbital population on the cluster size the corresponding dimers and trimers were also calculated at the same level of theory. In comparison with weakly bound dimers, the binding energy in trimers and, especially, in tetramers drastically increases; e.g., E b /N in Be 3 is 7 times larger and in Be 4 is 18.4 times larger than in Be 2 . This sharp increase is explained as a manifestation of many-body forces. The trimers and tetramers are stabilized by the three-body forces, whereas the two- and four-body forces are repulsive. The attractive contribution to the three-body forces has a three-atom electron exchange origin. The natural bond orbital (NBO) population analysis reveals a relatively large np-population in trimers and tetramers. The population of the valence np-orbitals leads to the sp-hybridization providing the covalent bonding. Research highlights: → The alkaline-earths trimers and tetramers are stabilized by the three-body forces. → Two- and four-body forces are repulsive for trimers and tetramers. → The attractive contribution to the three-body forces has a three-atom electron exchange origin. → The population of the np-orbitals leads to the sp-hybridization providing the covalent bonding. - Abstract: The comparative study of the interaction energy and its many-body decomposition for Be 4 , Mg 4 , and Ca 4 at the all-electron CCSD(T)/aug-cc-pVQZ level is performed. For study of dependence of the binding energy and the orbital population on the cluster size the corresponding dimers and trimers were also calculated at the same level of theory. In

  5. Are concentrations of alkaline earth elements in maternal hair associated with risk of neural tube defects?

    Science.gov (United States)

    Li, Zhenjiang; Wang, Bin; Huo, Wenhua; Liu, Yingying; Zhu, Yibing; Xie, Jing; Li, Zhiwen; Ren, Aiguo

    2017-12-31

    The relationship between maternal intake of alkaline earth elements (AEEs) during the period of neural tube closure and the risk of neural tube defects (NTDs) is still unclear. We propose that AEE deficiency during the early period of pregnancy is associated with an elevated risk of NTDs in the offspring. In this study, we recruited 191 women with NTD-affected pregnancies (cases) and 261 women who delivered healthy infants (controls). The concentrations of four AEEs (Ca, Mg, Sr, Ba) in maternal hair sections that grew during early pregnancy were analyzed. Information on the dietary habits of the mothers was also collected by questionnaire. Higher concentrations of the four AEEs in hair had protective effects against the risk of total NTDs, with odds ratios with 95% confidence interval (comparing groups separated by each median level) of 0.44 (0.28-0.68) for Mg, 0.56 (0.36-0.87) for Ca, 0.45 (0.28-0.70) for Sr, and 0.41 (0.26-0.65) for Ba. Significant negative dose-response trends were identified for the relationships between the four AEE concentrations in maternal hair and the risks of anencephaly and spina bifida, but not for encephalocele. The frequencies of maternal consumption of fresh green vegetables, fresh fruit, and meat or fish were positively correlated with the concentrations of AEEs in hair. We concluded that the maternal intake of AEEs may play an important role in preventing NTD formation in offspring, and that this intake is related to maternal dietary habits of consuming fresh green vegetables, fresh fruit, and fish or meat. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Exploring the anisotropic Kondo model in and out of equilibrium with alkaline-earth atoms

    Science.gov (United States)

    Kanász-Nagy, Márton; Ashida, Yuto; Shi, Tao; Moca, Cǎtǎlin Paşcu; Ikeda, Tatsuhiko N.; Fölling, Simon; Cirac, J. Ignacio; Zaránd, Gergely; Demler, Eugene A.

    2018-04-01

    We propose a scheme to realize the Kondo model with tunable anisotropy using alkaline-earth atoms in an optical lattice. The new feature of our setup is Floquet engineering of interactions using time-dependent Zeeman shifts, that can be realized either using state-dependent optical Stark shifts or magnetic fields. The properties of the resulting Kondo model strongly depend on the anisotropy of the ferromagnetic interactions. In particular, easy-plane couplings give rise to Kondo singlet formation even though microscopic interactions are all ferromagnetic. We discuss both equilibrium and dynamical properties of the system that can be measured with ultracold atoms, including the impurity spin susceptibility, the impurity spin relaxation rate, as well as the equilibrium and dynamical spin correlations between the impurity and the ferromagnetic bath atoms. We analyze the nonequilibrium time evolution of the system using a variational non-Gaussian approach, which allows us to explore coherent dynamics over both short and long timescales, as set by the bandwidth and the Kondo singlet formation, respectively. In the quench-type experiments, when the Kondo interaction is suddenly switched on, we find that real-time dynamics shows crossovers reminiscent of poor man's renormalization group flow used to describe equilibrium systems. For bare easy-plane ferromagnetic couplings, this allows us to follow the formation of the Kondo screening cloud as the dynamics crosses over from ferromagnetic to antiferromagnetic behavior. On the other side of the phase diagram, our scheme makes it possible to measure quantum corrections to the well-known Korringa law describing the temperature dependence of the impurity spin relaxation rate. Theoretical results discussed in our paper can be measured using currently available experimental techniques.

  7. Accumulation of alkaline earth metals by the green macroalga Bryopsis maxima.

    Science.gov (United States)

    Takahashi, Shigekazu; Aizawa, Kyoko; Nakamura, Saki; Nakayama, Katsumi; Fujisaki, Shingo; Watanabe, Soichiro; Satoh, Hiroyuki

    2015-04-01

    Twenty-five days after the disaster at the Fukushima Daiichi nuclear power plant in 2011, we collected samples of the green macroalga Bryopsis maxima from the Pacific coast of Japan. Bryopsis maxima is a unicellular, multinuclear, siphonous green macroalga. Radiation analysis revealed that B. maxima emitted remarkably high gamma radiation of (131)I, (134)Cs, (137)Cs, and (140)Ba as fission products of (235)U. Interestingly, B. maxima contained naturally occurring radionuclides derived from (226)Ra and (228)Ra. Analysis of element content revealed that B. maxima accumulates many ocean elements, especially high quantities of the alkaline earth metals Sr (15.9 g per dry-kg) and Ba (3.79 g per dry-kg), whereas Ca content (12.5 g per dry-kg) was lower than that of Sr and only 61 % of the mean content of 70 Japanese seaweed species. Time-course analysis determined the rate of radioactive (85)Sr incorporation into thalli to be approximately 0.13 g Sr per dry-kg of thallus per day. Subcellular fractionation of B. maxima cells showed that most of the (85)Sr was localized in the soluble fraction, predominantly in the vacuole or cytosol. Given that (85)Sr radioactivity was permeable through a dialysis membrane, the (85)Sr was considered to be a form of inorganic ion and/or bound with a small molecule. Precipitation analysis with sodium sulfate showed that more than 70% of the Sr did not precipitate as SrSO4, indicating that a proportion of the Sr may bind with small molecules in B. maxima.

  8. Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

    International Nuclear Information System (INIS)

    Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping

    2014-01-01

    Four alkaline-earth coordination polymers, [Ba(Pzdc)(H 2 O)] n (1), [Ba(Pzdc)] n (2), [AgSr(Pzdc)(NO 3 )(H 2 O)] n (3), [Ag 2 Ca(Pzdc) 2 (H 2 O)] n (4) (H 2 Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba 2 O 11 N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H 2 O)] n (1), [Ba(Pzdc)] n (2), [AgSr(Pzdc)(NO 3 )(H 2 O)] n (3), [Ag 2 Ca(Pzdc) 2 (H 2 O)] n (4) (H 2 Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2

  9. Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping, E-mail: sanpingchen@126.com

    2014-02-15

    Four alkaline-earth coordination polymers, [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba{sub 2}O{sub 11}N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2.

  10. A gravimetric method for the determination of oxygen in uranium oxides and ternary uranium oxides by addition of alkaline earth compounds

    International Nuclear Information System (INIS)

    Fujino, Takeo; Tagawa, Hiroaki; Adachi, Takeo; Hashitani, Hiroshi

    1978-01-01

    A simple gravimetric determination of oxygen in uranium oxides and ternary uranium oxides is described. In alkaline earth uranates which are formed by heating in air at 800-1100 0 C, uranium is in the hexavalent state over certain continuous ranges of alkaline earth-to-uranium ratios. Thus, if an alkaline earth uranate or a compound containing an alkaline earth element, e.g. MgO, is mixed with the oxide sample and heated in air under suitable conditions, oxygen can be determined from the weight change before and after the reaction. The standard deviation of the O:U ratio for a UOsub(2+x) test sample is +-0.0008-0.001, if a correction is applied for atmospheric moisture absorbed during mixing. (Auth.)

  11. Theoretical consideration of metabolic and histomorphometric data for alkaline earth and actinide distribution dynamics in the beagle skeleton

    International Nuclear Information System (INIS)

    Parks, N.J.

    1989-01-01

    The beagle has been used for thirty years as a putative model for human skeletal dynamics in terms of metabolic behaviour and response to in situ radiation insults. The partitioned clearance model (PCM) is a bone by bone description of radionuclide redistribution in the beagle skeleton after the end of exposure to 226 Ra by eight semi-monthly injections at 435-535 days or by continuous ingestion of 90 Sr from in utero to 540 days. The PCM describes both the clearance of radium after deposition on surfaces following injection and the clearance of 90 Sr after uniform deposition in the skeleton as a function of Ca mass. The PCM relates the metabolically determined time-zero deposition fraction (% A) per skeletal component to the calcium fraction (%Ca) per component. The ratio of these two fractions is defined as an estimator of relative 'surface',S, in PCM for the alkaline earths (ae). A comparison is made of 'surface' as defined, in PCM, by activity fraction per mass fraction in a given skeletal component for bone seeking alkaline earths (S ae ), to similarly defined 'surface' (S act ) for injected plutonium citrate. For inhaled soluble plutonium nitrate that translocates to bone, the S act values are very similar to the S ae values for injected radium. The physiochemical determinants of Pu deposition in bone after inhalation appear to be similar to those for alkaline earths. Histomorphometric data from actual bone surfaces marked in vivo with fluorescent labels given to a juvenile dog and then 13 years later give direct evidence that actinides not removed metabolically may never be removed by remodelling processes. (author)

  12. Unified mechanism of alkali and alkaline earth catalyzed gasification reactions of carbon by CO2 and H2O

    Science.gov (United States)

    Chen, S.G.; Yang, R.T.

    1997-01-01

    From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed and catalyzed by alkali and alkaline earth catalysts. In this mechanism, there are two types of oxygen intermediates that are bonded to the active edge carbon atoms: an in-plane semiquinone type, Cf(O), and an off-plane oxygen bonded to two saturated carbon atoms that are adjacent to the semiquinone species, C(O)Cf(O). The rate-limiting step is the decomposition of these intermediates by breaking the C-C bonds that are connected to Cf(O). A new rate equation is derived for the uncatalyzed reactions, and that for the catalyzed reactions is readily available from the proposed mechanism. The proposed mechanism can account for several unresolved experimental observations: TPD and TK (transient kinetics) desorption results of the catalyzed systems, the similar activation energies for the uncatalyzed and catalyzed reactions, and the relative activities of the alkali and alkaline earth elements. The net charge of the edge carbon active site is substantially changed by gaining electron density from the alkali or alkaline earth element (by forming C-O-M, where M stands for metal). The relative catalytic activities of these elements can be correlated with their abilities of donating electrons and changing the net charge of the edge carbon atom. As shown previously (Chen, S. G.; Yang, R. T. J. Catal. 1993, 141, 102), only clusters of the alkali compounds are active. This derives from the ability of the clusters to dissociate CO2 and H2O to form O atoms and the mobility of the dissociated O atoms facilitated by the clusters.

  13. Study of polyoxide catalysts of methane combustion on Mn, Cu, Ni, rare earth elements, alkaline earth elements base by the X-ray fluorescence analysis method

    International Nuclear Information System (INIS)

    Grigor'eva, V.P.; Popova, N.M.; Zheksenbaeva, Z.T.; Sass, A.S.; Salakhova, R.Kh.; Dosumov, K.D.

    2002-01-01

    The results of X-ray fluorescence analysis of polyoxide catalysts on of Mn, Cu, Ni, rare earth elements, alkaline earth elements base supported on 2 % Ce/θ-Al 2 O 3 are presented. This polyoxide catalysts are using for deep methane oxidation. DRON-4-7 X-ray diffractometers was applied for the analysis. It was found, that oxides in Ni-Cu-Cr catalysts after long time heating up to 1200 deg. C have been interacted with catalyst supports with Ni(Cu)Al 2 O 3 aluminates formation and due to its decomposition transformation degree of CH 4 to CO 2 are reduced. Activity of MnBaSrCeLa catalysts after heating up to 1200 deg. C does not changed

  14. Study of conformational and acid-base properties of norbadione A and pulvinic derivatives: Consequences on their complexation properties of alkaline and alkaline earth cations

    International Nuclear Information System (INIS)

    Kuad, P.

    2006-01-01

    This work deals with the study of norbadione A, a pigment extracted from mushrooms and known to complex cesium cations. The study of the acid-base properties of norbadione A has allowed to determine the relative acidity of the seven protonable functions of the molecule and to reveal a reversible isomerization of the double exocyclic bond of the pulvinic moieties. The observed change of configuration is induced by a hydrogen bond of the H-O-H type and by electrostatic interactions. Moreover, the microscopic protonation mechanism of the norbadione A has been analyzed, considering three different study media where the acid-base properties of the norbadione A are compared. In the presence of 0.15 mol.l -1 of NaCl, it has been observed a remarkable cooperativity in the protonation of the enol groups. At last, the use of different analytical methods (NMR, potentiometry and calorimetry) has allowed to study the complexing properties of the norbadione A towards cesium and other alkaline and rare earth cations. (O.M.)

  15. Isolation of radioactive strontium from natural samples. Separation of strontium from alkaline and alkaline earth elements by means of mixed solvent anion exchange

    International Nuclear Information System (INIS)

    Grahek, Z.; Kosutic, K.; Lulic, S.; Kvastek, K.; Eskinja, I.

    1999-01-01

    This paper presents the results of studies which led to the procedures for the chromatographic separation of radioactive strontium from alkaline, earth-alkaline and other elements in natural samples, on columns filled with strong base anion exchangers using alcoholic solutions of nitric acid as eluents. It has been shown that potassium, caesium, calcium, barium, yttrium and strontium can be adsorbed on strong base anion exchangers of the Dowex and Amberlite type, which contain the quaternary ammonium group with nitrate as counter-ion, from solutions of nitric acid in alcohol. Adsorption strength increases in the order methanol 3 in methanol, while they are adsorbed from ethanol and propanol. The adsorption strength is influenced by the polarity of alcohol, by the concentration of nitrate and by pH. The strength with which strontium adsorbs on the exchangers increases in the interval from 0 to 0.25M NH 4 NO 3 in methanol, after which it starts to decrease. Strontium adsorbs to the exchangers from the alcoholic solution of ammonium nitrate twice as strongly as from the alcoholic solution of nitric acid, while a fraction of water in pure alcohol exceeding 10% prevents adsorption. In the mixture of alcohol and nitric acid, the adsorption strength for calcium and strontium increases with the increase of the volume fraction of alcohol with a lower dielectric constant. The rate and strength of adsorption of ions on the exchanger also increase in the series 0.25M HNO 3 in methanol 3 in ethanol 3 in 1-propanol for each individual ion, as well as in the Ca 3 in methanol, 0.25M HNO 3 in ethanol and 0.25M HNO 3 in propanol. Separation is also possible from alcohol mixtures. Strontium separation is most difficult from calcium, while the efficiency of separation increases with a decrease of the polarity of the used alcohol or alcohol mixture. The first group elements of the periodic table are not separated from each other in this way, while the elements of the second group are

  16. Environmental Characteristics of Carbonatite and Alkaline Intrusion-related Rare Earth Element (REE) Deposits

    Science.gov (United States)

    Seal, R. R., II; Piatak, N. M.

    2017-12-01

    Carbonatites and alkaline intrusions are important sources of REEs. Environmental risks related to these deposit types have been assessed through literature review and evaluation of the geochemical properties of representative samples of mill tailings and their leachates. The main ore mineral in carbonatite deposits is bastnasite [(Ce,La)(CO3)F], which is found with dolomite and calcite ( 65 %), barite (20 - 25 %), plus a number of minor accessory minerals including sulfides such as galena and pyrite. Generally, alkaline intrusion-related REE deposits either occur in layered complexes or with dikes and veins cutting alkaline intrusions. Such intrusions have a more diverse group of REE ore minerals that include fluorcarbonates, oxides, silicates, and phosphates. Ore also can include minor calcite and iron (Fe), lead (Pb), and zinc (Zn) sulfides. The acid-generating potential of both deposit types is low because of a predominance of carbonate minerals in the carbonatite deposits, the presence of feldspars and minor calcite in alkaline intrusion-related deposits, and to only minor to trace occurrence of potentially acid-generating sulfide minerals. Both deposit types, however, are produced by igneous and hydrothermal processes that enrich high-field strength, incompatible elements, which typically are excluded from common rock-forming minerals. Elements such as yttrium (Y), niobium Nb), zirconium (Zr), hafnium (Hf), tungsten (W), titanium (Ti), tantalum (Ta), scandium (Sc), thorium (Th), and uranium (U) can be characteristic of these deposits and may be of environmental concern. Most of these elements, including the REEs, but with the exception of U, have low solubilities in water at the near-neutral pH values expected around these deposits. Mill tailings from carbonatite deposits can exceed residential soil and sediment criteria for Pb, and leachates from mill tailings can exceed drinking water guidelines for Pb. The greatest environmental challenges, however, are

  17. Modifying the size and uniformity of upconversion Yb/Er:NaGdF4 nanocrystals through alkaline-earth doping.

    Science.gov (United States)

    Lei, Lei; Chen, Daqin; Huang, Ping; Xu, Ju; Zhang, Rui; Wang, Yuansheng

    2013-11-21

    NaGdF4 is regarded as an ideal upconversion (UC) host material for lanthanide (Ln(3+)) activators because of its unique crystal structure, high Ln(3+) solubility, low phonon energy and high photochemical stability, and Ln(3+)-doped NaGdF4 UC nanocrystals (NCs) have been widely investigated as bio-imaging and magnetic resonance imaging agents recently. To realize their practical applications, controlling the size and uniformity of the monodisperse Ln(3+)-doped NaGdF4 UC NCs is highly desired. Unlike the routine routes by finely adjusting the multiple experimental parameters, herein we provide a facile and straightforward strategy to modify the size and uniformity of NaGdF4 NCs via alkaline-earth doping for the first time. With the increase of alkaline-earth doping content, the size of NaGdF4 NCs increases gradually, while the size-uniformity is still retained. We attribute this "focusing" of size distribution to the diffusion controlled growth of NaGdF4 NCs induced by alkaline-earth doping. Importantly, adopting the Ca(2+)-doped Yb/Er:NaGdF4 NCs as cores, the complete Ca/Yb/Er:NaGdF4@NaYF4 core-shell particles with excellent size-uniformity can be easily achieved. However, when taking the Yb/Er:NaGdF4 NCs without Ca(2+) doping as cores, they could not be perfectly covered by NaYF4 shells, and the obtained products are non-uniform in size. As a result, the UC emission intensity of the complete core-shell NCs increases by about 30 times in comparison with that of the cores, owing to the effective surface passivation of the Ca(2+)-doped cores and therefore protection of Er(3+) in the cores from the non-radiative decay caused by surface defects, whereas the UC intensity of the incomplete core-shell NCs is enhanced by only 3 times.

  18. Evaluation of complexing agents and column temperature in ion chromatographic separation of alkali metals, alkaline earth metals and transition metals ion

    International Nuclear Information System (INIS)

    Kelkar, Anoop; Pandey, Ashish; Name, Anil B.; Das, D.K.; Behere, P.G.; Mohd Afzal

    2015-01-01

    The aim of ion chromatography method development is the resolution of all metal ions of interests. Resolution can be improved by changing the selectivity. Selectivity in chromatography can be altered by changes in mobile phase (eg eluent type, eluent strength) or through changes in stationary phase. Temperature has been used in altering the selectivity of particularly in reversed phase liquid chromatography and ion exchange chromatography. Present paper describe the retention behaviour of alkali metals, alkaline earth metals and transition metal ions on a silica based carboxylate function group containing analyte column. Alkali metals, alkaline earth metals and transition metal ions were detected by ion conductivity and UV-VIS detectors respectively

  19. Distribution behavior of uranium, neptunium, rare-earth elements (Y, La, Ce, Nd, Sm, Eu, Gd) and alkaline-earth metals (Sr,Ba) between molten LiCl-KCl eutectic salt and liquid cadmium or bismuth

    International Nuclear Information System (INIS)

    Kurata, M.; Sakamura, Y.; Hijikata, T.; Kinoshita, K.

    1995-01-01

    Distribution coefficients of uranium neptunium, eight rare-earth elements (Y, La, Ce, Pr, Nd, Sm, Eu and Gd) and two alkaline-earth metals (Sr and Ba) between molten LiCl-KCl eutectic salt and either liquid cadmium or bismuth were measured at 773 K. Separation factors of trivalent rare-earth elements to uranium or neptunium in the LiCl-KCl/Bi system were by one or two orders of magnitude larger than those in the LiCl-KCl/Cd system. On the contrary, the separation factors of alkaline-earth metals and divalent rare-earth elements to trivalent rare-earth elements were by one or two orders of magnitude smaller in the LiCl-KCl/Bi system. (orig.)

  20. New Trends in Amplifiers and Sources via Chalcogenide Photonic Crystal Fibers

    Directory of Open Access Journals (Sweden)

    L. Mescia

    2012-01-01

    Full Text Available Rare-earth-doped chalcogenide glass fiber lasers and amplifiers have great applicative potential in many fields since they are key elements in the near and medium-infrared (mid-IR wavelength range. In this paper, a review, even if not exhaustive, on amplification and lasing obtained by employing rare-earth-doped chalcogenide photonic crystal fibers is reported. Materials, devices, and feasible applications in the mid-IR are briefly mentioned.

  1. Predictibility of the stability constant of a radium-cryptate by means of in vivo data from radioactive alkaline earthes.

    Science.gov (United States)

    Müller, W H

    1977-08-01

    By means of a formula, developed by J. Schubert[9] and A. Catsch, H.J. Heller[3] as well as a relation postulated by A. Catsch[1] the "thermodynamic" stability constant of the Radium (222)-cryptate (KRaRa(222) was calculated from measurements of the total body retention of the total body retention of the radioactive alkaline earthes 85SR, 140Ba and 224Ra and its (222)-cryptates in rats [5-7]. From the same in vivo data a direct lineary relationship between the log of the effectiveness quotient, log EQM(222), and the log of the "thermodynamic" stability log KMM(222) was found graphically. The values from the graph correspond with those of the calculation.

  2. Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2003-01-01

    The van der Waals coefficients, C 6 , C 8 , and C 10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D 8 and the three-body coefficient, C 9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution

  3. Dispersion coefficients for H and He interactions with alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2003-01-01

    The van der Waals coefficients C 6 , C 8 , and C 10 for H and He interactions with the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are determined from oscillator strength sum rules. The oscillator strengths were computed using a combination of ab initio and semiempirical methods. The dispersion parameters generally agree with close to exact variational calculations for Li-H and Li-He at the 0.1% level of accuracy. For larger systems, there is agreement with relativistic many-body perturbation theory estimates of C 6 at the 1% level. These validations for selected systems attest to the reliability of the present dispersion parameters. About half the present parameters lie within the recommended bounds of the Standard and Certain compilation [J. Chem. Phys. 83, 3002 (1985)

  4. Effect of alkaline earth metal doping on thermal, optical, magnetic and dielectric properties of BiFeO3 nanoparticles

    International Nuclear Information System (INIS)

    Bhushan, B; Das, D; Basumallick, A; Bandopadhyay, S K; Vasanthacharya, N Y

    2009-01-01

    Substrate-free pure-phase BiFeO 3 (BFO) nanoparticles doped with alkaline earth metals (Ba, Sr and Ca) have been synthesized by a sol-gel route and their thermal, optical, dielectric and magnetic properties are discussed. The characteristic structural phase transitions of BFO nanoparticles are found to occur at much lower temperatures. A reduction of the Neel temperature has been observed in the doped samples in comparison with the pristine one, whereas the band gap shows a reverse trend. Iron was found to be only in the Fe 3+ valence state in all the doped samples. Magnetoelectric coupling is seen in our samples. Weak ferromagnetism is observed at room temperature in all of the doped and undoped BFO nanoparticles with the largest value of coercive field ∼1.78 kOe and saturation magnetization ∼2.38 emu g -1 for Ba and Ca doped BFO nanoparticles, respectively.

  5. Quantum mechanical study of molecular collisions at ultra-low energy: applications to alkali and alkaline-earth systems

    International Nuclear Information System (INIS)

    Quemener, G.

    2006-10-01

    In order to investigate the collisional processes which occur during the formation of molecular Bose-Einstein condensates, a time-independent quantum mechanical formalism, based on hyperspherical coordinates, has been applied to the study of atom-diatom dynamics at ultra-low energies. We present theoretical results for three alkali systems, each composed of lithium, sodium or potassium atoms, and for an alkaline-earth system composed of calcium atoms. We also study dynamics at large and positive atom-atom scattering length. Evidence for the suppression of inelastic processes in a fermionic system is given, as well as a linear relation between the atom-diatom scattering length and the atom-atom scattering length. (author)

  6. Influence of alkali and alkaline earth elements on the uptake of radionuclides by Pleurototus eryngii fruit bodies

    Energy Technology Data Exchange (ETDEWEB)

    Guillen, J., E-mail: fguillen@unex.es [LARUEX, Dpt. Applied Physics, Faculty of Veterinary Science, University of Extremadura, Avda. Universidad, s/n, 10071 Caceres (Spain); Baeza, A.; Salas, A. [LARUEX, Dpt. Applied Physics, Faculty of Veterinary Science, University of Extremadura, Avda. Universidad, s/n, 10071 Caceres (Spain)

    2012-04-15

    In the literature, there are many data available on radionuclide contents and their transfer to different species of mushrooms. There are some variables, however, which affect the transfer but are very difficult to observe in collected wild mushrooms. An example is the effect of different concentrations of alkali and alkaline earth elements in the soil. Modification of these concentrations in the soil solution has traditionally been used as a countermeasure to deal with radioactively contaminated areas. In the present work, fruiting bodies of Pleurotus eryngii, a saprophytic mushroom, were grown under controlled laboratory conditions, varying the content of alkali (potassium and caesium) and alkaline earth (calcium and strontium) elements. The transfer of {sup 134}Cs, {sup 85}Sr, and {sup 60}Co (added to the cultures) and of natural {sup 210}Pb was analysed by increasing the content of each stable element considered. A significant, but nonlinear, enhancement of stable caesium and {sup 134}Cs was observed with increasing content of stable caesium in the substrate/mycelium. The transfer of {sup 85}Sr decreased with the addition of each stable cation, whereas the {sup 60}Co and {sup 210}Pb transfers were unaffected. - Highlights: Black-Right-Pointing-Pointer The addition of stable potassium did not affect the uptake of radiocaesium. Black-Right-Pointing-Pointer The addition of stable caesium increased the stable caesium and {sup 134}Cs content in the fruiting bodies of Pleurotus eryngii. Black-Right-Pointing-Pointer The addition of calcium reduced the content of calcium and {sup 85}Sr in the fruiting bodies. Black-Right-Pointing-Pointer These countermeasures did not work properly in the case of {sup 60}Co and {sup 210}Pb, no effect was observed.

  7. Enhanced NH3 gas sensing performance based on electrospun alkaline-earth metals composited SnO2 nanofibers

    International Nuclear Information System (INIS)

    Xu, Shuang; Kan, Kan; Yang, Ying; Jiang, Chao; Gao, Jun; Jing, Liqiang; Shen, Peikang; Li, Li

    2015-01-01

    Highlights: • The small-sized SnO 2 (5–7 nm) were obtained by adding the alkaline-earth. • Sr-composited SnO 2 nanofibers showed uniform nanotubes structure (Sr/SnO 2 ). • Sr/SnO 2 showed an excellent sensing performance to NH 3 at room temperature. - Abstract: One-dimensional alkaline-earth metals composited SnO 2 (Ae/SnO 2 ) nanofibres were fabricated via electrospinning technique, followed by thermal treatment at 600 °C for 5 h. Transmission electron microscopy (TEM) studies showed that the nanoparticles size of Ae/SnO 2 was 5–7 nm, which was smaller than the pristine SnO 2 nanorods attached by 20 nm nanoparticles. Moreover, Sr/SnO 2 nanocomposites showed uniform nanotubes structure with the wall thickness of about 30 nm, in which all the nanoparticles were connected to their neighbors by necks. The Sr/SnO 2 nanotubes exhibited an excellent sensing response toward NH 3 gas at room temperature, lower detection limit (10 ppm), faster response time (6 s towards 2000 ppm∼16 s towards 10 ppm) and better reversibility compared to the pristine SnO 2 nanorods. The enhanced sensor performances were attributed to the higher conductivity of the Sr/SnO 2 . Mott–Schottky plots (M–S) and electrochemical impedance spectroscopy (EIS) measurements indicated that the carrier density of Sr/SnO 2 nanotubes was 3 fold of that pristine SnO 2

  8. Influence of alkali and alkaline earth elements on the uptake of radionuclides by Pleurototus eryngii fruit bodies

    International Nuclear Information System (INIS)

    Guillén, J.; Baeza, A.; Salas, A.

    2012-01-01

    In the literature, there are many data available on radionuclide contents and their transfer to different species of mushrooms. There are some variables, however, which affect the transfer but are very difficult to observe in collected wild mushrooms. An example is the effect of different concentrations of alkali and alkaline earth elements in the soil. Modification of these concentrations in the soil solution has traditionally been used as a countermeasure to deal with radioactively contaminated areas. In the present work, fruiting bodies of Pleurotus eryngii, a saprophytic mushroom, were grown under controlled laboratory conditions, varying the content of alkali (potassium and cæsium) and alkaline earth (calcium and strontium) elements. The transfer of 134 Cs, 85 Sr, and 60 Co (added to the cultures) and of natural 210 Pb was analysed by increasing the content of each stable element considered. A significant, but nonlinear, enhancement of stable cæsium and 134 Cs was observed with increasing content of stable cæsium in the substrate/mycelium. The transfer of 85 Sr decreased with the addition of each stable cation, whereas the 60 Co and 210 Pb transfers were unaffected. - Highlights: ► The addition of stable potassium did not affect the uptake of radiocaesium. ► The addition of stable caesium increased the stable caesium and 134 Cs content in the fruiting bodies of Pleurotus eryngii. ► The addition of calcium reduced the content of calcium and 85 Sr in the fruiting bodies. ► These countermeasures did not work properly in the case of 60 Co and 210 Pb, no effect was observed.

  9. Coprecipitation of rare earths in systems of three heterovalent ions with sulfates of alkali and alkaline-earth metals

    International Nuclear Information System (INIS)

    Bobrik, V.M.

    1977-01-01

    Co-precipitation of rare earth elements (REE) in milligram amounts (3x10 -3 -3x10 -1 M) with alkali earth (AEE) sulfates in presence of alkali metal ions has been studied, the AEE:REE ratios between the co-precipitator and a REE (up to 50:1) the latter can be co-precipitated quantitatively in presence of corresponding alkali metals linked with the AEE in the Periodic table by a diagonal, i.e. in presence of sodium in co-precipitation with calcium sulfate, potassium with strontium sulfate and rubidium with barium sulfate. Co-precipitation with sulfates of sodium and calcium occurs at temperatures above 85 deg C and presumably involves calcium semihydrate. In presence of an alkali metal REE co-precipitation with AEE becomes isomorphic, i.e. at different AEE:REE ratios the co-precipitation coefficient remains constant. In presence of corresponding alkali metals the decrease in effectiveness of co-precipitation with AEE in the La-Lu series is more pronounced

  10. Cure and mechanical properties of carboxylated nitrile rubber (XNBR) vulcanized by alkaline earth metal compounds

    Science.gov (United States)

    Tulyapitak, Tulyapong

    Compounds of carboxylated nitrile rubber (XNBR) with alkaline metal oxides and hydroxide were prepared, and their cure and mechanical properties were investigated. Magnesium oxide (MgO) with different specific surface areas (45, 65, and 140 m2/g) was used. Increased specific surface area and concentration of MgO resulted in higher cure rate. Optimum stiffness, tensile strength, and ultimate strain required an equimolar amount of acidity and MgO. The effect of specific surface area on tensile properties was not significant. Crosslink density of XNBR-MgO vulcanizates increased with increased amounts of MgO. ATR-IR spectroscopy showed that neutralization occurs in two steps: (1) During mixing and storage, MgO reacts with carboxyl groups (RCOOH) to give RCOOMgOH. (2) Upon curing, these react bimolecularly to form RCOOMgOOCR and Mg(OH)2. Dynamic mechanical thermal analysis revealed an ionic transition at higher temperature, in addition to the glass transition. The ionic transition shifts to higher temperature with increasing MgO concentration. Like MgO-XNBR systems, cure rates of XNBR-calcium hydroxide (Ca(OH)2) and XNBR-barium oxide (BaO) compounds increased with increased content of curing agents. Curing by these two agents resulted in ionic crosslinks. To ensure optimum tensile properties, equimolar amounts of carboxyl groups and curing agents were required. Dynamic mechanical analysis revealed the ionic transition in these two systems. It shifted to higher temperature with increased amounts of curing agents. In contrast to MgO, Ca(OH)2, and BaO, calcium oxide (CaO) gave results similar to those for thermally cured samples. No ionic transition was observed in XNBR-CaO systems. Tensile strength of XNBR depended on the strength of ionic crosslinks, which was dependent on the size of the alkaline metal ions.

  11. Preliminary investigations on picoplankton-related precipitation of alkaline-earth metal carbonates in meso-oligotrophic lake Geneva (Switzerland

    Directory of Open Access Journals (Sweden)

    Jean-Michel Jaquet

    2013-10-01

    Full Text Available In the course of a routine water-quality survey in meso-oligotrophic lake Geneva (Switzerland, suspended matter was collected by filtration on 0.2 μm membranes in July and August 2012 at the depth of maximal chlorophyll a (Chl a concentration (2 mg m–3. Examination by scanning electron microscopy revealed the presence of numerous dark and gelatinous patches occluding the pores of the membranes, containing high numbers of picoplanktonic cells and, in places, clusters of high-reflectance smooth microspheres (1-2 μm in diameter. Their chemical composition, determined by semi-quantitative, energy-dispersive X ray spectroscopy (EDS showed magnesium (Mg, calcium (Ca, strontium (Sr and barium (Ba (alkaline earth metals to be the dominant cations. Among the anions, phosphorus (P and carbon (C were present, but only the latter is considered here (as carbonate. The microspheres were subdivided into four types represented in a Ca-Sr-Ba ternary space. All types are confined within a domain bound by Ca>45, Sr<10 and Ba<50 (in mole %. Type I, the most frequent, displays a broad variability in Ba/Ca, even within a given cluster. Types II and III are devoid of Ba, but may incorporate P. Type IV contains only Ca. The Type I composition resembles that of benstonite, a Group IIA carbonate that was recently found as intracellular granules in a cyanobacterium from alkaline lake Alchichica (Mexico.Lake Geneva microspheres are solid, featureless and embedded in a mucilage-looking substance in the vicinity of, but seemingly not inside, picoplanktonic cells morphologically similar to Chlorella and Synechococcus. In summer 2012, the macroscopic physico-chemical conditions in lake Geneva epilimnion were such as to allow precipitation of Ca but not of Sr and Ba carbonates. Favourable conditions did exist, though, in the micro-environment provided by the combination of active picoplankton and a mucilaginous envelope. Further studies are ongoing to investigate the

  12. Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

    Science.gov (United States)

    Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

    2016-08-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Bacontaining copper dopants.

  13. Passive behavior of magnesium alloys (Mg-Zr) containing rare-earth elements in alkaline media

    International Nuclear Information System (INIS)

    Pinto, R.; Ferreira, M.G.S.; Carmezim, M.J.; Montemor, M.F.

    2010-01-01

    The passive behavior of magnesium alloys ZK31, EZ33 and WE54 was studied in alkaline media (NaOH - pH 13) in the presence and absence of chloride ions. The electrochemical properties were investigated by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and capacitance measurements. X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and atomic force microscopy (AFM) were employed for the study of the chemical composition and surface morphology of the surface films, respectively. The electrochemical impedance results revealed that the film formed on the surface of the three alloys is characterized by an increasing resistance, which stabilized with time. In the absence of chloride the film resistance was identical for all the three alloys. However, in the presence of chloride, the resistance of the film formed on the EZ33 alloy dropped nearly one order of magnitude comparatively to the other alloys. Generally, in the presence of chloride there was a decrease of the conductive character of the film. The films are homogeneous and, according to the XPS results, the outer layer seemed mainly composed of Mg(OH) 2 and the internal layer composed of MgO, independently of the presence of chloride. The AFM study revealed that the presence of chloride affected film morphology, namely nano-crystallites dimensions and aggregates size that increased.

  14. 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

  15. TL process in europium doped alkaline earth sulphate phosphors- a review

    International Nuclear Information System (INIS)

    Bhatt, B.C.

    2003-01-01

    CaSO 4 doped with the rare earth (RE) ion dysprosium or thulium is used routinely as a thermoluminescent dosimeter (TLD) to monitor personal exposure to x- and γ-radiation. The CaSO 4 :Eu phosphor is potentially important for radio photoluminescence (RPL) and ultraviolet (UV) dosimetry. Eu 3+ → Eu 2+ conversion is suggested to play a pivotal role in UV and γ-ray induced thermoluminescence. However, there is disagreement among different workers on the mechanism of gamma and UV induced TL in this phosphor system. This paper will review the work reported on CaSO 4 :Eu and make effects to project overall picture on this phosphor system. (author)

  16. Rare earth elements leaching from Tin slag using Acid Chloride after Alkaline fusion process

    International Nuclear Information System (INIS)

    Kurnia Trinopiawan; Budi Yuli Ani; June Mellawati; Mohammad Zaki Mubarok

    2016-01-01

    Tin slag, a waste product from tin smelting process, has a potency to be utilized further by extracting the valuable metals inside, such as rare earth elements(REE). The objective of this study is to determine the optimum leaching condition of REE from tin slag after alkali fusion. Silica structure in slag is causing the direct leaching uneffectively. Therefore, pre-treatment step using alkali fusion is required to break the structure of silica and to increase the porosity of slag. Fusion is conducted in 2 hours at 700°C, with ratio of natrium hydroxide (NaOH) : slag = 2 : 1. Later, frit which is leached by water then leached by chloride acid to dissolve REE. As much as 87,5% of REE is dissolved at 2 M on chloride acid (HCl) concentration, in 40°C temperature, -325 mesh particle size, 15 g/100 ml of S/L, 150 rpm of agitation speed, and 5 minutes of leaching time. (author)

  17. Rare Earth Elements (REE Deposits Associated with Great Plain Margin Deposits (Alkaline-Related, Southwestern United States and Eastern Mexico

    Directory of Open Access Journals (Sweden)

    Virginia T. McLemore

    2018-01-01

    Full Text Available W.G. Lindgren in 1933 first noted that a belt of alkaline-igneous rocks extends along the eastern edge of the Rocky Mountains and Basin and Range provinces from Alaska and British Columbia southward into New Mexico, Trans-Pecos Texas, and eastern Mexico and that these rocks contain relatively large quantities of important commodities such as, gold, fluorine, zirconium, rare earth elements (REE, tellurium, gallium, and other critical elements. In New Mexico, these deposits were called Great Plain Margin (GPM deposits, because this north-south belt of alkaline-igneous rocks roughly coincides with crustal thickening along the margin between the Great Plains physiographic province with the Basin and Range (including the Rio Grande rift and Rocky Mountains physiographic provinces, which extends into Trans-Pecos Texas and eastern Mexico. Since 1996, only minor exploration and development of these deposits in New Mexico, Texas, and eastern Mexico has occurred because of low commodity prices, permitting issues, and environmental concerns. However, as the current demand for gold and critical elements, such as REE and tellurium has increased, new exploration programs have encouraged additional research on the geology of these deposits. The lack of abundant quartz in these systems results in these deposits being less resistant to erosion, being covered, and not as well exposed as other types of quartz-rich deposits, therefore additional undiscovered alkaline-related gold and REE deposits are likely in these areas. Deposits of Th-REE-fluorite (±U, Nb epithermal veins and breccias are found in the several GPM districts, but typically do not contain significant gold, although trace amounts of gold are found in most GPM districts. Gold-rich deposits in these districts tend to have moderate to low REE and anomalously high tungsten and sporadic amounts of tellurium. Carbonatites are only found in New Mexico and Mexico. The diversity of igneous rocks, including

  18. Luminescence investigation of R{sup 3+}-doped alkaline earth tungstates prepared by a soft chemistry method

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Helliomar P. [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil); Kai, Jiang [Pontifícia Universidade Católica do Rio de Janeiro, Departamento de Química, Rio de Janeiro, RJ, Brazil (Brazil); Silva, Ivan G.N.; Rodrigues, Lucas C.V. [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil); Felinto, Maria C.F.C. [Centro de Química e Meio Ambiente, Instituto de Pesquisas Energéticas e Nucleares, São Paulo, SP (Brazil); Hölsä, Jorma [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil); Department of Chemistry, University of Turku,FI-20014 Turku (Finland); Turku University Centre for Materials and Surfaces (MatSurf), Turku (Finland); Malta, Oscar L. [Departamento de Química Fundamental, Universidade Federal de Pernambuco, Recife, PE (Brazil); Brito, Hermi F., E-mail: hefbrito@iq.usp.br [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil)

    2016-02-15

    Highly luminescent rare earth (R{sup 3+}) doped alkaline-earth tungstates MWO{sub 4}:R{sup 3+} (M{sup 2+}: Ca, Sr and Ba, R{sup 3+}: Eu, Tb, Gd) were prepared with a room temperature coprecipitation method. The phosphors were characterized by X-ray powder diffraction (XPD), thermal analysis (TG), infrared absorption spectroscopy (FTIR) and UV excited photoluminescence. The as-prepared MWO{sub 4}:R{sup 3+} particles belong to the tetragonal scheelite phase, and are well crystallized and are of the average size of 16–48 nm. The excitation and emission spectra of the materials were recorded at 300 and 77 K temperatures. The luminescent materials exhibit intense red (Eu{sup 3+}) and green (Tb{sup 3+}) colors under UV excitation. The excitation spectra of the Eu{sup 3+} doped materials show broad bands arising from the ligand-to-metal charge transfer transitions (O{sup 2−}→W{sup VI} and O{sup 2−}→Eu{sup 3+}) as well as narrow bands from 4f–4f intraconfigurational transitions of Eu{sup 3+}. 4f–4f emission data of the Eu{sup 3+} and Tb{sup 3+} in the MWO{sub 4} host matrices as well as the values of emission quantum efficiencies of the {sup 5}D{sub 0} level and the 4f–4f experimental intensity parameters of Eu{sup 3+} ion are presented and discussed. - Highlights: • Highly red Europium and green Terbium doped tungstate under UV excitation. • Efficient energy transfer process from tungstate to R{sup 3+} ion. • Promising candidates for a red (Eu{sup 3+}) and green (Tb{sup 3+}) emitting phosphors. • Ligand Metal charge transfer to R{sup 3+} ion. • Charge compensation with Na{sup +}.

  19. Structural, optical absorption and photoluminescence spectral studies of Sm3+ ions in Alkaline-Earth Boro Tellurite glasses

    Science.gov (United States)

    Siva Rama Krishna Reddy, K.; Swapna, K.; Mahamuda, Sk.; Venkateswarlu, M.; Srinivas Prasad, M. V. V. K.; Rao, A. S.; Prakash, G. Vijaya

    2018-05-01

    Sm3+ ions doped Alkaline-Earth Boro Tellurite (AEBT) glasses were prepared by using conventional melt quenching technique and characterized using the spectroscopic techniques such as FT-IR, optical absorption, emission and decay spectral measurements to understand their utility in optoelectronic devices. From absorption spectra, the bonding parameters, nephelauxetic ratios were determined to know the nature of bonding between Sm3+ ions and its surrounding ligands. From the measured oscillator strengths, the Judd-Ofelt (J-O) intensity parameters were evaluated and in turn used to estimate various radiative parameters for the fluorescent levels of Sm3+ ions in AEBT glasses. The PL spectra of Sm3+ ions exhibit three emission bands corresponding to the transitions 4G5/2 → 6H5/2, 6H7/2 and 6H9/2 in the visible region for which the emission cross-sections and branching ratios were evaluated. The decay spectral profiles measured for 4G5/2 → 6H7/2 transition showed single exponential for lower concentration and non-exponential for higher concentration of doped rare earth ion in the as prepared glasses. Conversion of decay spectral profiles from single to non-exponential have been analyzed using Inokuti-Hirayama (I-H) model to understand the energy transfer mechanism involved in the decay process. CIE Chromaticity coordinates were measured using emission spectral data to identify the exact region of emission from the as-prepared glasses. From the evaluated radiative parameters, emission cross-sections and quantum efficiencies, it was observed that AEBT glass with 1 mol% of Sm3+ ions is more suitable for designing optoelectronic devices.

  20. Transfer of alkaline earth elements in mothers' milk and doses from 45Ca, 90Sr and 226Ra

    International Nuclear Information System (INIS)

    Smith, T.J.; Phipps, A.W.; Fell, T.P.; Harrison, J.D.

    2003-01-01

    An international programme of work is currently under way to develop methods for calculating doses to infants from ingestion of radionuclides present in mothers' milk. This paper considers the special case of the alkaline earth elements. Models have been developed for 45 Ca, 90 Sr and 226 Ra and the sensitivity of results to various changes in parameter values is discussed. A complication when calculating doses from intakes of radium is that the International Commission on Radiological Protection has previously recommended that doses from decay products of radium should be calculated using element-specific biokinetic models (so-called independent biokinetics). An extension of this method to the models for breastfeeding is proposed. Preliminary estimates of the doses received by the infant for a number of maternal intake scenarios show that doses to the infant can exceed the corresponding adult dose, such as for 45 Ca (ratio = 3.1) while, in other cases such as 90 Sr, the infant dose can be a significant fraction of the adult dose. (author)

  1. First-principles calculation on oxygen ion migration in alkaline-earth doped La2GeO5

    International Nuclear Information System (INIS)

    Thuy Linh, Tran Phan; Sakaue, Mamoru; Aspera, Susan Meñez; Alaydrus, Musa; Wungu, Triati Dewi Kencana; Hoang Linh, Nguyen; Kasai, Hideaki; Mohri, Takahiro; Ishihara, Tatsumi

    2014-01-01

    By using first-principles calculations based on the density functional theory, we investigated the doping effects of alkaline-earth metals (Ba, Sr and Ca) in monoclinic lanthanum germanate La 2 GeO 5 on its oxygen ion conduction. Although the lattice parameters of the doped systems changed due to the ionic radii mismatch, the crystal structures remained monoclinic. The contribution of each atomic orbital to electronic densities of states was evaluated from the partial densities of states and partial charge densities. It was confirmed that the materials behaved as ionic crystals comprising of cations of La and dopants and anions of oxygen and covalently formed GeO 4 . The doping effect on the activation barrier for oxygen hopping to the most stable oxygen vacancy site was investigated by the climbing-image nudged elastic band method. By tracing the charge density change during the hopping, it was confirmed that the oxygen motion is governed by covalent interactions. The obtained activation barriers showed excellent quantitative agreements with an experiment for the Ca- and Sr-doped systems in low temperatures as well as the qualitative trend, including the Ba-doped system. (paper)

  2. Fates and roles of alkali and alkaline earth metal species during the pyrolysis and gasification of a Victorian lignite

    Energy Technology Data Exchange (ETDEWEB)

    Mody, D.; Wu, H.; Li, C. [Monash University, Vic. (Australia). CRC for Clean Power from Lignite, Dept. of Chemical Engineering

    2000-07-01

    The transformation of alkali and alkaline earth metal (AAEM) species in a Victorian lignite during the pyrolysis and subsequent gasification in CO{sub 2} was studied in a novel quartz fluidised-bed reactor. Lignite samples prepared by physically adding NaCl and ion-exchanging Na{sup +} and Ca{sup ++} into the lignite were used to investigate the effects of chemical forms and valency of the AAEM species in the substrate lignite on their transformation during pyrolysis and gasification. Carboxyl-bound Na was found to be less volatile than Na present as NaCl, but more volatile than carboxyl-bound Ca during pyrolysis at temperatures between 400 and 900{sup o}C. However, the carboxyl-bound Na was volatilised to a much greater extent than the carboxyl-bound Ca in the same lignite during pyrolysis. It was seen that the loading of NaCl into the lignite did not significantly affect the char reactivity in the fluidised-bed reactor at 900{sup o}C.

  3. X-ray Diffraction Studies of the Structure and Thermochemistry of Alkaline-Earth Oxide-Coated Thermionic Cathodes

    Science.gov (United States)

    Karikari, E. K.; Bassey, E.; Wintucky, Edwin G.

    1998-01-01

    NASA LeRC has a broad, active cathode technology development program in which both experimental and theoretical studies are being employed to further development of thermionic cathodes for use as electron sources in vacuum devices for communications and other space applications. One important type of thermionic cathode under development is the alkaline-earth oxide-coated (BaO, SrO, CaO) cathode. Significant improvements in the emission characteristics of this cathode have been obtained through modification of the chemical composition and morphology of the oxide coating, with the best result thus far coming from the addition of In2O3 and Sc2O3. Whereas the In2O3 produces a finer, more uniform particle structure, the exact chemical state and role of the Sc2O3 in the emission enhancement is unknown. The purpose of this cooperative agreement is to combine the studies of the surface chemistry and electron emission at NASA LeRC of chemically modified oxide coatings with a study of the thermochemistry and crystal structure using X-ray diffraction equipment and expertise at Clark Atlanta University (CAU). The study at CAU is intended to provide the description and understanding of the structure and thermochemistry needed for further improvement and optimization of the modified coatings. A description of the experimental procedure, preliminary X-ray diffraction test results, together with the design of an ultrahigh vacuum chamber necessary for high temperature thermochemistry studies will be presented.

  4. Hydrogen storage property of alkali and alkaline-earth metal atoms decorated C24 fullerene: A DFT study

    Science.gov (United States)

    Zhang, Yafei; Cheng, Xinlu

    2018-04-01

    The hydrogen storage behavior of alkali and alkaline-earth metal (AM = Li, Na, K, Mg, Ca) atoms decorated C24 fullerene was investigated by using density functional theory (DFT) study. Our results indicate that the AM atoms prefer to adsorb atop the center of tetragon of C24 fullerene with the largest binding energy than other possible adsorption sites. Moreover, the hydrogen storage gravimetric density of 24H2/6Li/C24, 24H2/6Na/C24 and 36H2/6Ca/C24 configurations reaches up to 12.7 wt%, 10.1 wt% and 12 wt%, higher than the year 2020 target from the US department of energy (DOE). Also, the average adsorption energies of H2 molecules of the 24H2/6Li/C24, 24H2/6Na/C24 and 36H2/6Ca/C24 configurations are -0.198 eV/H2, -0.164 eV/H2 and -0.138 eV/H2, locate the desirable range under the physical adsorption at near ambient conditions. These findings will have important implications on designing new hydrogen storage materials in the future.

  5. Surface effect on the electronic and the magnetic properties of rock-salt alkaline-earth metal silicides

    International Nuclear Information System (INIS)

    Bialek, Beata; Lee, Jaeil

    2011-01-01

    An all electron ab-initio method was employed to study the electronic and the magnetic properties of the (001) surface of alkaline-earth metal silicides, CaSi, SrSi, and BaSi, in the rock-salt structure. The three compounds retain their ferromagnetic metallic properties at the surface. Due to the surface effects, the magnetism of the topmost layer is changed as compared with the bulk. This is a short-range effect. In CaSi, the magnetism of the surface layer is noticeably reduced, as compared with the bulk: magnetic moments (MMs) on both Ca and Si atoms are reduced. In SrSi (001), the polarization of electrons in the surface atoms is similar to that in the bulk atoms, and the values of MMs on the component atoms in the topmost layer do not change as much as in CaSi. In BaSi (001), the magnetic properties of Si surface atoms are enhanced slightly, and the magnetism of Ba atoms is not affected considerably by the surface effect. The calculated densities of states confirm the short-range effect of the surface on the electronic properties of the metal silicides.

  6. Radium isotopes, alkaline earth diagenesis, and age determination of travertine from Mammoth Hot Springs, Wyoming, U.S.A

    International Nuclear Information System (INIS)

    Sturchio, N.C.

    1990-01-01

    Travertine from active springs, former vents, and drill core was analyzed for Ra isotopes, other alkaline earth elements, and mineralogical composition. Thermal water also was analyzed. Travertine, presently being deposited, contains 3.0-15.3 pCi/g 226 Ra, and has a 228 Ra/ 226 Ra ratio identical to that in thermal water. Travertine precipitates mostly as aragonite and experiences a complete diagenetic transformation to calcite within 9 a. Systematic compositional changes associated with this diagenetic transformation are enrichment of Mg and depletion of Sr, Ba and Ra. Apparent mineral-water distribution coefficients for Mg, Sr and Ba in aragonite and calcite are within the range of those determined experimentally, implying near-equilibrium conditions and high water-rock ratios during diagenesis. Impure travertine from near the base of a section in the Y-10 drill hole (at 72.9 m depth) has a 230 Th/ 234 U isochron age of 7700±440 a. The content of 226 Ra in the normal, subhorizontally layered, porous travertine decreases with depth. The observed 226 Ra vs depth relation is consistent with continuous deposition of travertine at the site from 7700 a BP to near present at a mean rate of ∼1.0 cm/a, and indicates minimal exchange of Ra between travertine and pore water after the early diagenetic transformation of aragonite to calcite. (author)

  7. Synergetic effect of alkaline earth metal oxides and iron oxides on the degradation of hexachlorobenzene and its degradation pathway.

    Science.gov (United States)

    Su, Guijin; Liu, Yexuan; Huang, Linyan; Shi, Yali; Zhang, Aiqian; Zhang, Lixia; Liu, Wenbin; Gao, Lirong; Zheng, Minghui

    2013-01-01

    The degradation of hexachlorobenzene (HCB) was carried out over physical mixtures of a series of alkaline earth metal oxides (MO: M=Mg, Ca, Sr, Ba) and iron oxides with different crystal types (Fe(x)O(y):Fe(2)O(3) or Fe(3)O(4)) at 300°C. These physical mixtures all showed a synergetic effect toward the degradation of HCB. A range of degradation products were identified by various methods, including tri- to penta-chlorobenzenes by gas chromatography/mass spectrometry (GC-MS), tri- to penta-chlorophenols, tetrachlorocatechol (TCC) and tetrachlorohydroquinone (TCHQ) by GC-MS after derivatization, and formic and acetic acids by ion chromatography. Two degradation pathways, hydrodechlorination and oxidative degradation, appear to occur competitively. However, more sequential chlorinated benzene and phenol congeners were formed over mixed MO/Fe(3)O(4) than over mixed MO/Fe(2)O(3) under the same conditions. The oxidative reaction dominated over mixed MO/Fe(2)O(3) and was promoted as the major reaction by the synergetic effect, while both the oxidative and hydrodechlorination reactions were important over mixed MO/Fe(3)O(4), and both pathways are remarkably promoted by the synergetic effect. The enhanced hydrodechlorination may be attributed to free electrons generated by the transformation of Fe(3)O(4) into Fe(2)O(3), and hydrogen provided by water adsorbed on the MO. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. 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.

  9. Synthesis, characterization and solubility of alkaline earth uranyl carbonates M2[UO2(CO3)3].xH20; M: Mg, Ca, Sr, Ba

    International Nuclear Information System (INIS)

    Amayri, S.

    2002-11-01

    The release and dispersion of uranium from closed uranium mining sites and the resulting uranium contamination of the natural environment of such sites is a major problem examined in this dissertation. Knowledge of the pollution pathways and processes is indispensable for an assessment of the radiological implications for the human population, to be taken into account in the planning of site rehabilitation work. The formation of secondary uranium minerals may contribute to an immobilization of the uranium, but it is possible as well that such secondary uranium minerals will release uranium. A major task of this dissertation therefore was to examine the conditions of formation of alkaline earth uranyl carbonates in the context of their natural occurrence as observed at some sites, and to answer the question of whether hitherto unknown alkaline earth uranyl carbonates may form in the natural environment, and ought to be taken into account as new source terms. (orig./CB) [de

  10. Synthesis and Characterization of an Earth-Abundant Cu2BaSn(S,Se)4 Chalcogenide for Photoelectrochemical Cell Application.

    Science.gov (United States)

    Shin, Donghyeop; Ngaboyamahina, Edgard; Zhou, Yihao; Glass, Jeffrey T; Mitzi, David B

    2016-11-17

    Cu 2 BaSnS 4-x Se x films consisting of earth-abundant metals have been examined for photocathode application. Films with different Se contents (i.e., Cu 2 BaSnS 4-x Se x with x ≤ 2.4) were synthesized using a cosputter system with post-deposition sulfurization/selenization annealing treatments. Each film adopts a trigonal P3 1 crystal structure, with progressively larger lattice constants and with band gaps shifting from 2.0 to 1.6 eV, as more Se substitutes for S in the parent compound Cu 2 BaSnS 4 . Given the suitable bandgap and earth-abundant elements, the Cu 2 BaSnS 4-x Se x films were studied as prospective photocathodes for water splitting. Greater than 6 mA/cm 2 was obtained under illumination at -0.4 V versus reversible hydrogen electrode for Pt/Cu 2 BaSnS 4-x Se x films with ∼60% Se content (i.e., x = 2.4), whereas a bare Cu 2 BaSnS 4-x Se x (x = 2.4) film yielded ∼3 mA/cm 2 at -0.4 V/RHE.

  11. Luminescence properties of Ce3+-activated alkaline earth silicon nitride M2Si5N8 (M = Ca, Sr, Ba) materials

    NARCIS (Netherlands)

    Li, Y.Q.; With, de G.; Hintzen, H.T.J.M.

    2006-01-01

    The luminescence properties of Ce3+, Li+ or Na+ co-doped alkaline-earth silicon nitride M2Si5N8 (M=Ca, Sr, Ba) are reported. The solubility of Ce3+ and optical properties of M2-2xCexLixSi5N8 (x0.1) materials have been investigated as function of the cerium concentration by X-ray powder diffraction

  12. THEORETICAL-ANALYSIS OF THE O(1S) BINDING-ENERGY SHIFTS IN ALKALINE-EARTH OXIDES - CHEMICAL OR ELECTROSTATIC CONTRIBUTIONS

    NARCIS (Netherlands)

    PACCHIONI, G; BAGUS, PS

    1994-01-01

    We report results from ab initio cluster-model calculations on the O(1s) binding energy (BE) in the alkaline-earth oxides, MgO, CaO, SrO, and BaO; all these oxides have a cubic lattice structure. We have obtained values for both the initial- and final-state BE's. A simple point-charge model, where

  13. Electrochemical transformations of oxygen and the defect structure of solid solutions on the basis of alkaline earth metal ortho-vanadates

    International Nuclear Information System (INIS)

    Khodos, M.Ya.; Belysheva, G.M.; Brajnina, Kh.Z.

    1986-01-01

    Effect of iso- and heterovalent substitution in the structure of alkaline earth metal ortho-vanadates and synthesis conditions, simulating the definite type of their crystal lattice disordering, on the character of potentiodynamic anodic-cathodic curves has been investigated by the method of cyclic voltammetry. Correlation between signals observed and the defect structure of oxide compounds is refined. Oxygen chemisorption is shown to be determined by concentration of nonequilibrium oxygen vacancies, which formation is accompanied by appearance of quasi-free electrons

  14. Validation of ion chromatography for the determination of transition metal ions along with alkali, alkaline earth metal elements for uranium oxide fuel

    International Nuclear Information System (INIS)

    Kelkar, Anoop; Prakash, Amrit; Afzal, Mohd.; Panakkal, J.P.

    2009-02-01

    The present report describes the use of Ion chromatography (IC) methods with spectrophotometric and direct conductivity detection for the determination of transition metal elements and alkali alkaline earth metal ions in UO 2 pellets. Transmet analytical column and Metrosep- cation 1-2 column were used for the separation of transition metal elements and alkali and alkaline earth metal elements respectively. Oxalic acid and mixture of pyridine 2,6-dicarboxylic acid (PDCA), Na 2 SO 4 and NaCl were used as mobile phase for the separation of transition metal ions and monitored after post - column reaction with 4,2-pyridylazo resorcinol (PAR) at 520nm spectrophotometrically. In the determination of alkali and alkaline earth metal ions the interference of transition metals are removed by complexing them with PDCA. Mixture of tartaric acid and PDCA employed in the separation of alkali and alkaline earth metal ions and monitored on direct conductivity detector. Mobile phase composition was optimised for the base line separation. Calibration plots of Fe 3+ , Cu 2+ , Ni 2+ , Co 2+ , Cd 2+ , Mn 2+ , Li + , Na + , K + , Mg 2+ , Ca 2+ and Sr 2+ were linear over a wide dynamic range with regression coefficient better than 0.999. Detection limit of above ions were between 5-30ppb. To prevent the overloading of the cation exchange column, uranium matrix was removed from UO 2 sample by solvent extraction with 30% TBP - TOPO/CCl 4 . Ten sintered UO2 pellets of same lot were analysed and R.S.D. ±10% was obtained. These methods were validated by analysis of ILCE standards of UO 2 . (author)

  15. Chalcogenide glass hollow core microstructured optical fibers

    Directory of Open Access Journals (Sweden)

    Vladimir S. eShiryaev

    2015-03-01

    Full Text Available The recent developments on chalcogenide glass hollow core microstructured optical fibers (HC-MOFs are presented. The comparative analysis of simulated optical properties for chalcogenide HC-MOFs of negative-curvature with different size and number of capillaries is given. The technique for the manufacture of microstructured chalcogenide preforms, which includes the assembly of the substrate glass tube and 8-10 capillaries, is described. Further trends to improve the optical transmission in chalcogenide NCHCFs are considered.

  16. Novel 2D or 3D alkaline-earth metal sulfonate-phosphonates based on [O 3S-C 2H 4-PO 3H] 2- ligand

    Science.gov (United States)

    Du, Zi-Yi; Wen, He-Rui; Xie, Yong-Rong

    2008-11-01

    Three novel alkaline-earth metal sulfonate-phosphonates based on [O 3S-C 2H 4-PO 3H] 2- ligand, namely, [Ca(O 3SC 2H 4PO 3H)(H 2O) 2] ( 1), [Sr(O 3SC 2H 4PO 3H)] ( 2) and [Ba 2(O 3SC 2H 4PO 3H) 2] ( 3), have been synthesized by hydrothermal reactions. They represent the first structurally characterized alkaline-earth metal complexes of phosphonic acid attached with a sulfonate group. The structure of compound 1 features a 2D layer based on 1D chains of [Ca 2(PO 3) 2] bridged by -CH 2-CH 2-SO 3- groups. Compounds 2 and 3 show pillar-layer architecture based on two different inorganic layers linked by -CH 2-CH 2- groups. The inorganic layer in compound 2 features a 1D chain of edge-sharing SrO 8 polyhedra whereas that in compound 3 features an edge-sharing Ba 2O 14 di-polyhedral unit which is further corner-shared with four neighboring ones. The [O 3S-C 2H 4-PO 3H] 2- ligand shows diverse coordination modes in the three alkaline-earth metal sulfonate-phosphonates.

  17. Prospects of Colloidal Copper Chalcogenide Nanocrystals

    NARCIS (Netherlands)

    van der Stam, W.; Berends, A.C.; de Mello-Donega, Celso

    2016-01-01

    Over the past few years, colloidal copper chalcogenide nanocrystals (NCs) have emerged as promising alternatives to conventional Cd and Pb chalcogenide NCs. Owing to their wide size, shape, and composition tunability, Cu chalcogenide NCs hold great promise for several applications, such as

  18. Alkaline-earth elements of scalp hair and presence of hypertension in housewives: A perspective of chronic effect.

    Science.gov (United States)

    Wang, Bin; Yan, Lailai; Sun, Ying; Yan, Jingjing; Lu, Qun; Zhang, Jingxu; Li, Zhiwen

    2017-08-01

    The relationship between population intakes of alkaline-earth elements (AEEs) and hypertension risk remains under discussion. Hair AEE concentrations can indicate their intake levels into human body. Thus, we aimed to investigate an association of hair AEE concentrations with hypertension risk, and the potential effect of dietary habit on this association. We recruited 398 housewives [163 subjects with hypertension (case group) and 235 subjects without hypertension (control group)] in Shanxi Province of north China. The scalp hair grown in the recent 2 years of each subject was collected and analyzed for the four concerned AEEs [i.e. calcium (Ca), magnesium (Mg), strontium (Sr), and barium (Ba)]. Our study results revealed that median concentrations (μg/g hair) of hair AEEs in the case group were systematically lower than those in control group [i.e. 701 vs. 1271 of Ca, 55.2 vs. 88.3 of Mg, 4.60 vs. 10.4 of Sr, and 1.02 vs. 1.68 of Ba]. Lower levels of the four individual AEEs of hair were associated with an increased presence of hypertension, respectively. Moreover, hair AEE concentrations were all positively correlated with the ingestion frequencies of meat, eggs, fresh vegetables, and fruits, while negatively with that of salted vegetables. A high ingestion frequency of fresh vegetables was associated with a lower prevalence of hypertension with or without adjusting confounders, while salted vegetables revealed a reverse tend. It was concluded that low hair AEEs, as markers of their long-term dietary intake, were associated with the presence of hypertension in a rural Chinese women. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Separation of alkali, alkaline earth and rare earth cations by liquid membranes containing macrocyclic carriers. Third progress report, September 1, 1980-April 1, 1981

    International Nuclear Information System (INIS)

    Christensen, J.J.

    1981-01-01

    The overall objective of this project is to study the use of liquid membrane systems employing macrocyclic ligand carriers in making separations among metal cations. During the third year of the project, work continued in the development of a mathematical model to describe cation transport. The model was originally developed to describe the relationship between cation transport rate (J/sub M/) and the cation-macrocycle stability constant (K). The model was tested by determining the rates of transport of alkali and alkaline earth cations through chloroform membranes containing carrier ligands where the stability constants for their reaction with cations in methanol were known. From the results, it is clear that the model correctly describes the dependence of J/sub M/ on log K. The model also correctly describes the effect of cation concentration and carrier concentration on cation transport rates, as detailed in the previous progress report. During the third year of the project, the transport model was expanded so as to apply to competitive transport of cations from mixtures of two cations in the source aqueous phase. Data were collected under these conditions and the ability of the model to predict the flux of each cation was tested. Representative data of this type are presented along with corresponding data which were obtained when each cation was transported by the same carrier from a source phase containing only that cation. Comparison of transport rates determined under the two experimental conditions indicates that the relationship between the two sets of data is complex. To date, a few of these data involving transport from binary cation mixtures have been tested against the transport model. It was found that the model correctly predicts the cation fluxes from cation mixtures. These preliminary results indicate that the transport model can successfully predict separation factors when cation mixtures are used

  20. Earth-Abundant Chalcogenide Photovoltaic Devices with over 5% Efficiency Based on a Cu2 BaSn(S,Se)4 Absorber.

    Science.gov (United States)

    Shin, Donghyeop; Zhu, Tong; Huang, Xuan; Gunawan, Oki; Blum, Volker; Mitzi, David B

    2017-06-01

    In recent years, Cu 2 ZnSn(S,Se) 4 (CZTSSe) materials have enabled important progress in associated thin-film photovoltaic (PV) technology, while avoiding scarce and/or toxic metals; however, cationic disorder and associated band tailing fundamentally limit device performance. Cu 2 BaSnS 4 (CBTS) has recently been proposed as a prospective alternative large bandgap (~2 eV), environmentally friendly PV material, with ~2% power conversion efficiency (PCE) already demonstrated in corresponding devices. In this study, a two-step process (i.e., precursor sputter deposition followed by successive sulfurization/selenization) yields high-quality nominally pinhole-free films with large (>1 µm) grains of selenium-incorporated (x = 3) Cu 2 BaSnS 4- x Se x (CBTSSe) for high-efficiency PV devices. By incorporating Se in the sulfide film, absorber layers with 1.55 eV bandgap, ideal for single-junction PV, have been achieved within the CBTSSe trigonal structural family. The abrupt transition in quantum efficiency data for wavelengths above the absorption edge, coupled with a strong sharp photoluminescence feature, confirms the relative absence of band tailing in CBTSSe compared to CZTSSe. For the first time, by combining bandgap tuning with an air-annealing step, a CBTSSe-based PV device with 5.2% PCE (total area 0.425 cm 2 ) is reported, >2.5× better than the previous champion pure sulfide device. These results suggest substantial promise for the emerging Se-rich Cu 2 BaSnS 4- x Se x family for high-efficiency and earth-abundant PV. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The synthesis and crystal structures of the first rare-earth alkaline-earth selenite chlorides MNd10(SeO3)12Cl8 (M=Ca and Sr)

    International Nuclear Information System (INIS)

    Berdonosov, P.S.; Olenev, A.V.; Dolgikh, V.A.; Lightfoot, P.

    2007-01-01

    Two new alkaline-earth Nd selenite chlorides MNd 10 (SeO 3 ) 12 Cl 8 (M=Ca, Sr) were obtained using crystal growth from alkaline-earth chloride melts in quartz tubes. These new compounds crystallize in the orthorhombic system in space group C cca (no. 68). The compounds were studied by energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction. It was shown that both compounds adopt the same structure type, constructed by complex [M 11 (SeO 3 ) 12 ] 8+ slabs separated by chloride anion layers perpendicular to the longest cell parameter. The SeO 3 groups show a pyramidal shape and may be described as SeO 3 E tetrahedra. Such SeO 3 groups decorate the Nd-O skeletons forming the [M 11 (SeO 3 ) 12 ] 8+ slabs. - Graphical abstract: Two new alkaline-earth Nd selenite chlorides MNd 10 (SeO 3 ) 12 Cl 8 (M=Ca, Sr) were synthesized. These structures are constructed by [M 11 (SeO 3 ) 12 ] 8+ slabs separated by chloride anion layers

  2. Luminescence behaviors of Eu- and Dy-codoped alkaline earth metal aluminate phosphors through potassium carbonate coprecipitation

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Chen-Jui, E-mail: cjliang@fcu.edu.tw; Siao, Hao-Yi

    2016-07-01

    An electronic energy mechanism of activator and sensitizer was established to describe the luminescence behaviors of Eu- and Dy-codoped M(II)Al{sub 2}O{sub 4} (M(II) = Ba, Sr, Ca, Mg) phosphors through potassium carbonate coprecipitation. Experimental results demonstrated that the prepared phosphors exhibited superior crystallinity at a temperature lower than 950 °C. The phosphors are ordered according to emission intensity as follows Ca- > Ba- > Sr- > Mg-containing phosphors. The energy level for Eu{sup 2+} 4f{sup 6}5d{sup 1} → 4f{sup 7}, Eu{sup 3+4}D{sub 0} → {sup 7}F, and Dy{sup 3+4}F{sub 9/2} → {sup 6}H transitions and the effects of nephelauxetic and crystal field in Ba-, Sr-, and Ca-containing phosphors were discussed. The energy gap, (hv){sub em}, between 5d and 4f of Eu{sup 2+} ion is strongly affected by host composition, crystal field strength, and nephelauxetic effect. The infrared emission of 4f{sub 9/2} → 6h for Dy{sup 3+} is merely depend on the transfer of energy from Eu{sup 2+} upon excited. Ca-containing phosphor with maximum (hv){sub em} is attributed to the lowest bond length of Ca−O and highest ionization potential of Ca{sup 2+} ion, which leads to the effects of crystal field and nephelauxetic greater than that in the other phosphors. - Highlights: • The list of the collected figure captions: • Develop a new coprecipitation method to prepare high efficiency phosphors. • Obtain superior crystallinity with lower calcination temperature. • Luminescence behavior of Eu- and Dy-codoped on aluminate phosphors is discussed. • Investigate the effects of alkaline earth metal containing on crystal field and nephelauxetic.

  3. Structures and Spectroscopy Studies of Two M(II-Phosphonate Coordination Polymers Based on Alkaline Earth Metals (M = Ba, Mg

    Directory of Open Access Journals (Sweden)

    Kui-Rong Ma

    2013-01-01

    Full Text Available The two examples of alkaline-earth M(II-phosphonate coordination polymers, [Ba2(L(H2O9]·3H2O (1 and [Mg1.5(H2O9]·(L-H21.5·6H2O (2 (H4L = H2O3PCH2N(C4H8NCH2PO3H2, N,N′-piperazinebis(methylenephosphonic acid, (L-H2 = O3PH2CHN(C4H8NHCH2PO3 have been hydrothermally synthesized and characterized by elemental analysis, FT-IR, PXRD, TG-DSC, and single-crystal X-ray diffraction. Compound 1 possesses a 2D inorganic-organic alternate arrangement layer structure built from 1D inorganic chains through the piperazine bridge, in which the ligand L−4 shows two types of coordination modes reported rarely at the same time. In 1, both crystallographic distinct Ba(1 and Ba(2 ions adopt 8-coordination two caps and 9-coordination three caps triangular prism geometry structures, respectively. Compound 2 possesses a zero-dimensional mononuclear structure with two crystallographic distinct Mg(II ions. Free metal cations   [MgO6]n2+ and uncoordinated anions (L-H2n2- are joined together by static electric force. Results of photoluminescent measurement indicate three main emission bands centered at 300 nm, 378.5 nm, and 433 nm for 1 and 302 nm, 378 nm, and 434.5 nm for 2 (λex=235 nm, respectively. The high energy emissions could be derived from the intraligand π∗-n transition stations of H4L (310 nm and 382 nm, λex=235 nm, while the low energy emission (>400 nm of 1-2 may be due to the coordination effect with metal(II ions.

  4. High-pressure densified solid solutions of alkaline earth hexaborides (Ca/Sr, Ca/Ba, Sr/Ba) and their high-temperature thermoelectric properties

    International Nuclear Information System (INIS)

    Gürsoy, M.; Takeda, M.; Albert, B.

    2015-01-01

    Solid solutions of alkaline earth hexaborides were synthesized and densified by spark plasma sintering at 100 MPa. The high-temperature thermoelectric properties (Seebeck coefficients, electrical and thermal diffusivities, heat capacities) were measured between room temperature and 1073 K. CaB 6 , SrB 6 , BaB 6 and the ternary hexaborides Ca x Sr 1−x B 6 , Ca x Ba 1−x B 6 , Sr x Ba 1−x B 6 (x = 0.25, 0.5, 0.75) are n-type conducting compounds over the whole compositional and thermal ranges. The values of the figure of merit ZT for CaB 6 (ca. 0.3 at 1073 K) were found to be significantly increased compared to earlier investigations which is attributed to the densification process. - Highlights: • Solid solutions of alkaline earth hexaborides were synthesized. • High-temperature thermoelectric properties of mixed calcium borides are excellent. • Spark plasma source densification results in high ZT values. • Borides are rare-earth free and refractory materials

  5. Carbon nanotube-chalcogenide composite

    Czech Academy of Sciences Publication Activity Database

    Stehlík, Š.; Orava, J.; Kohoutek, T.; Wágner, T.; Frumar, M.; Zima, Vítězslav; Hara, T.; Matsui, Y.; Ueda, K.; Pumera, M.

    2010-01-01

    Roč. 183, č. 1 (2010), s. 144-149 ISSN 0022-4596 R&D Projects: GA ČR GA203/08/0208 Institutional research plan: CEZ:AV0Z40500505 Keywords : carbon nanotubes * chalcogenide glasses * composites Subject RIV: CA - Inorganic Chemistry Impact factor: 2.261, year: 2010

  6. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    International Nuclear Information System (INIS)

    Arévalo-Hidalgo, Ana G.; Dugar, Sneha; Fu, Riqiang; Hernández-Maldonado, Arturo J.

    2012-01-01

    The location of extraframework cations in Sr 2+ and Ba 2+ ion-exchanged SAPO-34 was estimated by means of 1 H and 23 Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO 2 adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO 2 adsorption performance. Highlights: ► Location of extraframework Sr 2+ or Ba 2+ cations was estimated by means of 1 H and 23 Na MAS NMR. ► Level of Sr 2+ or Ba 2+ ion exchange was limited by the presence of protons and sodium cations. ► Presence of ammonium cations in the supercages facilitated the exchange. ► Sr 2+ and Ba 2+ ion exchanged SAPOs are outstanding CO 2 adsorbents.

  7. Boson peak of alkali and alkaline earth silicate glasses: influence of the nature and size of the network-modifying cation.

    Science.gov (United States)

    Richet, Nicolas F

    2012-01-21

    The influence of the size of the alkaline earth cation on the boson peak of binary metasilicate glasses, MSiO(3) (M = Mg, Ca, Sr, Ba), has been investigated from vibrational densities of states determined by inversion of low-temperature heat capacities. As given both by C(p)/T(3) and g(ω)/ω(2), the intensity of the boson peak undergoes a 7-fold increase from Mg to Ba, whereas its temperature and frequency correlatively decrease from 18 to 10 K and from 100 to 20 cm(-1), respectively. The boson peak results from a combination of librations of SiO(4) tetrahedra and localized vibrations of network-modifying cations with non-bridging oxygens whose contribution increases markedly with the ionic radius of the alkaline earth. As a function of ionic radii, the intensity for Sr and Ba varies in the same way as previously found for alkali metasilicate glasses. The localized vibrations involving alkali and heavy alkaline earth cations appear to be insensitive to the overall glass structure. Although the new data are coherent with an almost linear relationship between the temperature of the boson peak and transverse sound velocity, pure SiO(2) and SiO(2)-rich glasses make marked exceptions to this trend because of the weak transverse character of SiO(4) librations. Finally, the universality of the calorimetric boson peak is again borne out because all data for silicate glasses collapse on the same master curve when plotted in a reduced form (C(P)∕/T(3))/(C(P)/T(3))(b) vs. T/T(b). © 2012 American Institute of Physics

  8. Removal of toxic and alkali/alkaline earth metals during co-thermal treatment of two types of MSWI fly ashes in China.

    Science.gov (United States)

    Yu, Jie; Qiao, Yu; Jin, Limei; Ma, Chuan; Paterson, Nigel; Sun, Lushi

    2015-12-01

    This study aims to vaporize heavy metals and alkali/alkaline earth metals from two different types of fly ashes by thermal treatment method. Fly ash from a fluidized bed incinerator (HK fly ash) was mixed with one from a grate incinerator (HS fly ash) in various proportions and thermally treated under different temperatures. The melting of HS fly ash was avoided when treated with HK fly ash. Alkali/alkaline earth metals in HS fly ash served as Cl-donors to promote the vaporization of heavy metals during thermal treatment. With temperature increasing from 800 to 900°C, significant amounts of Cl, Na and K were vaporized. Up to 1000°C in air, less than 3% of Cl and Na and less than 5% of K were retained in ash. Under all conditions, Cd can be vaporized effectively. The vaporization of Pb was mildly improved when treated with HS fly ash, while the effect became less pronounced above 900°C. Alkali/alkaline earth metals can promote Cu vaporization by forming copper chlorides. Comparatively, Zn vaporization was low and only slightly improved by HS fly ash. The low vaporization of Zn could be caused by the formation of Zn2SiO4, ZnFe2O4 and ZnAl2O4. Under all conditions, less than 20% of Cr was vaporized. In a reductive atmosphere, the vaporization of Cd and Pb were as high as that in oxidative atmosphere. However, the vaporization of Zn was accelerated and that of Cu was hindered because the formation of Zn2SiO4, ZnFe2O4 and ZnAl2O4 and copper chloride was depressed in reductive atmosphere. Copyright © 2015. Published by Elsevier Ltd.

  9. Influence of alkali metal oxides and alkaline earth metal oxides on the mitigation of stress corrosion cracking in CANDU fuel sheathing

    Energy Technology Data Exchange (ETDEWEB)

    Metzler, J.; Ferrier, G.A.; Farahani, M.; Chan, P.K.; Corcoran, E.C., E-mail: Joseph.Metzler@rmc.ca [Royal Military College of Canada, Kingston, ON (Canada)

    2015-07-01

    Stress corrosion cracking (SCC)can cause failures of CANDU Zircaloy-4 fuel sheathing. The process occurs when a corrosive element (i.e.,iodine) interacts with a susceptible material that is under sufficient strain at a high temperature. Currently, there is an ongoing effort to improve SCC mitigation strategies for future iterations of CANDU reactors. A potential mechanism for SCC mitigation involves utilizing alkali metal oxides and alkaline earth metal oxides that will sequester corrosive iodine while actively repairing a protective oxide layer on the sheath. SCC tests performed with sodium oxide (Na{sub 2}O) and calcium oxide (CaO) have shown to decrease significantly the sheath degradation. (author)

  10. Effect of the kind of alkaline and rare earth ions on the structure of a glass rich in earth; Effet de la nature des ions alcalins et alcalino-terreux sur la structure d un verre riche en terre

    Energy Technology Data Exchange (ETDEWEB)

    Quintas, Arnaud; Caurant, Daniel; Majerus, Odile [Laboratoire de Chimie Appliquee de l Etat Solide, UMR 7574, ENSCP, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05, (France); Lenoir, Marion; Dussossoy, Jean-Luc [Commissariat a l Energie Atomique, Centre d Etudes de la Vallee du Rhone, DIEC/SCDV/LEBM, 30207 Bagnols-sur-Ceze, (France); Charpentier, Thibault [Service de Chimie Moleculaire, DSM/DRECAM/CEA Saclay, 91191 Gif-sur-Yvette Cedex, (France); Neuville, Daniel R. [Laboratoire de Physique des Mineraux et des Magmas, UMR 7047-CNRS-IPGP, Universite Pierre et Marie Curie, 4 place Jussieu, 75252 Paris Cedex 05, (France); Gervais, C. [Laboratoire de Chimie de la matiere condensee, UMR7574, Universite Pierre et Marie Curie, 4 place Jussieu, F-75252 Paris Cedex 05, (France)

    2006-07-01

    In the framework of a structural study of a nuclear wastes containment glass of type alumino borosilicate and rich in rare earths, the influence of the kind of alkaline or rare earth ions is analyzed. For that, two glasses series have been prepared in which the Na{sup +} ion (respectively Ca{sup 2+} ions) present in the standard composition is totally substituted by another alkaline ion Li{sup +}, K{sup +}, Rb{sup +} or Cs{sup +} (respectively another rare earth ion Mg{sup 2+}, Sr{sup 2+} or Ba{sup 2+}). These glasses, analyzed by optical absorption, Raman and {sup 27}Al or {sup 11}B NMR spectroscopies have revealed the strong impact of the kind of the modifying ion as well as the structure of the vitreous lattice (variation of the ratio BO{sub 3}/BO{sub 4} and local variations of the polymerization degree) than the local surroundings of the rare earth (decrease of the covalency degree of the bond Nd-O with the increase of the field force of the modifying ion). (O.M.)

  11. Magnetic chalcogenides in 3 and lower dimensions

    Science.gov (United States)

    Furdyna, J. K.; Dong, S.-N.; Lee, S.; Liu, X.; Dobrowolska, M.

    2018-06-01

    In this article we review magnetic phenomena that occur in the chalcogenide family involving transition metals. Magnetic properties displayed by bulk 3D chalcogenides compounds and alloys produced by equilibrium growth methods are discussed. 2D magnetic chalcogenide systems such as epitaxial films and more complex multilayers, whose formation is made possible by epitaxial methods and/or by van der Waals epitaxy, are presented in detail. We present a brief overview of magnetic effects emerging as the dimensionality of chalcogenide materialss is reduced to 1D (nanowires and related structures) and to zero-D (quantum dots formed by both top-down and bottom-up methods).

  12. Effect of alkaline earth modifier on the optical and structural properties of Cu2+ doped phosphate glasses as a bandpass filter

    Science.gov (United States)

    Farouk, M.; Samir, A.; El Okr, M.

    2018-02-01

    Glasses of composition [16RO-3Al2O3sbnd 6CuOsbnd 20Na2Osbnd 55P2O5], where R is the alkaline earth (R = Mg, Ca, Sr and Ba mol. %), were prepared by conventional melt quenching technique. The glass samples were characterized by X-ray diffraction, infrared spectroscopy, and spectrophotometer. XRD patterns show no sharp peaks indicating the non-crystalline nature of the prepared glasses. The density and molar volume of the glass systems were determined in order to study their structures. These results revealed that addition of alkaline earth elements leads to the formation of non-bridging oxygens (NBOs) and expands (opens up) the structure. The infrared spectra were analyzed to quantify the present phosphate groups. The optical absorption spectra of Cu2+ ions show the characteristic broadband single of Cu2+ ions in octahedral symmetry. The band gap was estimated following two methodologies. The first method considers the band edge of the transmission, while the second approach relays on the estimated values of the optical constants. A decent agreement for the band gap values using the two methods was obtained.

  13. Quantum mechanics and molecular dynamics simulations of complexation of alkaline-earth and lanthanide cations by poly-amino-carboxylate ligands

    International Nuclear Information System (INIS)

    Durand, S.

    1999-01-01

    Molecular dynamics (MD) simulations on lanthanide(III) and alkaline-earth(II) complexes with poly-amino-carboxylates (ethylene-diamino-tetra-acetate EDTA 4- , ethylene-diamino-tri-acetate-acetic acid EDTA(H) 3- , tetra-aza-cyclo-dodecane-tetra-acetate DOTA 4- , methylene-imidine-acetate MIDA 2- ) are reported. First, a consistent set of Lennard-Jones parameters for La 3+ , Eu 3+ and Lu 3+ cations has been derived from free energy calculations in aqueous solution. Observed differences in hydration free energies, coordination distances and hydration numbers are reproduced. Then, the solution structures of 1:1 complexes of alkaline-earth and/or lanthanide cations with EDTA 4- , EDTA(H) 3- , DOTA 4- and 1:2 complexes of lanthanide cations with MIDA 2- were studied by MD in water. In addition, free energy calculations were performed to study, for each ligand, the relative thermodynamic stabilities of complexes with Ca 2+ vs Sr 2+ and vs Ba 2+ on the one hand, and with La 3+ vs Eu 3+ and vs Lu 3+ on the other hand. Model does not take into account explicitly polarization and charge transfer. However, the results qualitatively agree with experimental complexation data (structure and selectivities). (author)

  14. Structures and heats of formation of simple alkaline earth metal compounds: fluorides, chlorides, oxides, and hydroxides for Be, Mg, and Ca.

    Science.gov (United States)

    Vasiliu, Monica; Feller, David; Gole, James L; Dixon, David A

    2010-09-02

    Geometry parameters, frequencies, heats of formation, and bond dissociation energies are predicted for the simple alkaline earth (Be, Mg and Ca) fluorides, chlorides, oxides, and hydroxides at the coupled cluster theory [CCSD(T)] level including core-valence correlation with the aug-cc-pwCVnZ basis sets up to n = 5 in some cases. Additional corrections (scalar relativistic effects, vibrational zero-point energies, and atomic spin-orbit effects) were necessary to accurately calculate the total atomization energies and heats of formation. The calculated geometry parameters, frequencies, heats of formation, and bond dissociation energies are compared with the available experimental data. For a number of these alkaline earth compounds, the experimental geometries and energies are not reliable. MgF(2) and BeF(2) are predicted to be linear and CaF(2) is predicted to be bent. BeOH is predicted to be bent, whereas MgOH and CaOH are linear. The OBeO angle in Be(OH)(2) is not linear, and the molecule has C(2) symmetry. The heat of formation at 298 K for MgO is calculated to be 32.3 kcal/mol, and the bond dissociation energy at 0 K is predicted to be 61.5 kcal/mol.

  15. Indirect ultraviolet detection of alkaline earth metal ions using an imidazolium ionic liquid as an ultraviolet absorption reagent in ion chromatography.

    Science.gov (United States)

    Liu, Yong-Qiang; Yu, Hong

    2017-04-01

    A convenient and versatile method was developed for the separation and detection of alkaline earth metal ions by ion chromatography with indirect UV detection. The chromatographic separation of Mg 2+ , Ca 2+ , and Sr 2+ was performed on a carboxylic acid base cation exchange column using imidazolium ionic liquid/acid as the mobile phase, in which the imidazolium ionic liquid acted as an UV-absorption reagent. The effects of imidazolium ionic liquids, detection wavelength, acids in the mobile phase, and column temperature on the retention of Mg 2+ , Ca 2+ , and Sr 2+ were investigated. The main factors influencing the separation and detection were the background UV absorption reagent and the concentration of hydrogen ion in ion chromatography with indirect UV detection. The successful separation and detection of Mg 2+ , Ca 2+ , and Sr 2+ within 14 min were achieved using the selected chromatographic conditions, and the detection limits (S/N = 3) were 0.06, 0.12, and 0.23 mg/L, respectively. A new separation and detection method of alkaline earth metal ions by ion chromatography with indirect UV detection was developed, and the application range of ionic liquids was expanded. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals.

    Science.gov (United States)

    Liu, Yuanyue; Merinov, Boris V; Goddard, William A

    2016-04-05

    It is well known that graphite has a low capacity for Na but a high capacity for other alkali metals. The growing interest in alternative cation batteries beyond Li makes it particularly important to elucidate the origin of this behavior, which is not well understood. In examining this question, we find a quite general phenomenon: among the alkali and alkaline earth metals, Na and Mg generally have the weakest chemical binding to a given substrate, compared with the other elements in the same column of the periodic table. We demonstrate this with quantum mechanics calculations for a wide range of substrate materials (not limited to C) covering a variety of structures and chemical compositions. The phenomenon arises from the competition between trends in the ionization energy and the ion-substrate coupling, down the columns of the periodic table. Consequently, the cathodic voltage for Na and Mg is expected to be lower than those for other metals in the same column. This generality provides a basis for analyzing the binding of alkali and alkaline earth metal atoms over a broad range of systems.

  17. Noble-Metal Chalcogenide Nanotubes

    Directory of Open Access Journals (Sweden)

    Nourdine Zibouche

    2014-10-01

    Full Text Available We explore the stability and the electronic properties of hypothetical noble-metal chalcogenide nanotubes PtS2, PtSe2, PdS2 and PdSe2 by means of density functional theory calculations. Our findings show that the strain energy decreases inverse quadratically with the tube diameter, as is typical for other nanotubes. Moreover, the strain energy is independent of the tube chirality and converges towards the same value for large diameters. The band-structure calculations show that all noble-metal chalcogenide nanotubes are indirect band gap semiconductors. The corresponding band gaps increase with the nanotube diameter rapidly approaching the respective pristine 2D monolayer limit.

  18. Volatilisation of alkali and alkaline earth metallic species during the gasification of a Victorian brown coal in CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Quyn, Dimple Mody; Li, Chun-Zhu [CRC for Clean Power from Lignite, Department of Chemical Engineering, PO Box 36, Monash University, Victoria 3800 (Australia); Hayashi, Jun-ichiro [Centre for Advanced Research of Energy Conversion Materials, Hokkaido University, N13-W8, Kita-ku, Sapporo 060-8628 (Japan)

    2005-08-25

    A Victorian brown coal was gasified in a bench-scale quartz fluidised-bed/fixed-bed reactor in order to study the volatilisation of Na, Ca, and Mg during devolatilisation and gasification and their roles in the reactivity of chars. It was found that the majority of Na was volatilised at 900 {sup o}C under all conditions and that a Na retention limit was achieved in the char with the progress of CO{sub 2} gasification. In some cases, the presence of CO{sub 2} during devolatilisation enhanced the Na retention in the char. In contrast, the retention of Ca (and Mg) was unaffected by CO{sub 2} during devolatilisation at 900C but decreased drastically upon nascent char gasification. The fundamental differences in volatilisation between the alkali and alkaline earth metallic species are discussed in this paper.

  19. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS2

    Directory of Open Access Journals (Sweden)

    X. D. Li

    2015-05-01

    Full Text Available Single adsorption of different atoms on pristine two-dimensional monolayer MoS2 have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS2. Additionally, local or long-range magnetic moments of two-dimensional MoS2 sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS2 monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  20. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Li, X. D.; Fang, Y. M.; Wu, S. Q., E-mail: zzhu@xmu.edu.cn, E-mail: wsq@xmu.edu.cn [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China); Zhu, Z. Z., E-mail: zzhu@xmu.edu.cn, E-mail: wsq@xmu.edu.cn [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China); Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005 (China)

    2015-05-15

    Single adsorption of different atoms on pristine two-dimensional monolayer MoS{sub 2} have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS{sub 2}. Additionally, local or long-range magnetic moments of two-dimensional MoS{sub 2} sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS{sub 2} monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  1. Enhanced spin polarization of elastic electron scattering from alkaline-earth-metal atoms in Ramsauer-Townsend and low-lying shape resonance regions

    International Nuclear Information System (INIS)

    Yuan, J.; Zhang, Z.

    1993-01-01

    Spin polarizations (SP's) of elastic electron scattering from alkaline-earth-metal atoms in Ramsauer-Townsend (RT) and low-lying shape resonance (SR) regions are calculated using a relativistic method. The detailed SP distributions both with scattering angle and with electron energy are presented via the energy- and angle-dependent surfaces of SP parameters. It is shown that the SP effects of the collisions of electrons with Ca, Sr, and Ba atoms in the RT region are significant in a considerable area on the energy-angle plane and that the spin-orbit interaction is well increased around the low-lying p-wave SR states of Be and Mg and the d-wave SR states of Ca, Sr, and Ba

  2. A first-principles study of half-metallic ferromagnetism in binary alkaline-earth nitrides with rock-salt structure

    International Nuclear Information System (INIS)

    Gao, G.Y.; Yao, K.L.; Liu, Z.L.; Zhang, J.; Min, Y.; Fan, S.W.

    2008-01-01

    In this Letter, using the first-principles full-potential linearized augmented plane-wave (FP-LAPW) method, we extend the electronic structure and magnetism studies on zinc-blende structure of II-V compounds MX (M=Ca,Sr,Ba; X=N,P,As) [M. Sieberer, J. Redinger, S. Khmelevskyi, P. Mohn, Phys. Rev. B 73 (2006) 024404] to the rock-salt structure. It is found that, in the nine compounds, only alkaline-earth nitrides CaN, SrN and BaN exhibit ferromagnetic half-metallic character with a magnetic moment of 1.00μ B per formula unit. Furthermore, compared with the zinc-blende structure of CaN, SrN and BaN, the rock-salt structure has lower energy, which makes them more promising candidates of possible growth of half-metallic films on suitable substrates

  3. A modelling exercise on the importance of ternary alkaline earth carbonate species of uranium(VI) in the inorganic speciation of natural waters

    International Nuclear Information System (INIS)

    Vercouter, Thomas; Reiller, Pascal E.; Ansoborlo, Eric; Février, Laureline; Gilbin, Rodolphe; Lomenech, Claire; Philippini, Violaine

    2015-01-01

    Highlights: • The U(VI) speciation in natural waters has been modelled through a modelling exercise. • The results evidence the importance of alkaline earth U(VI) carbonate complexes. • Possible solubility-controlling phases were reported and discussed. • The differences were related to the choice and reliability of thermodynamic data. • Databases need to be improved for reliable U(VI) speciation calculations. - Abstract: Predictive modelling of uranium speciation in natural waters can be achieved using equilibrium thermodynamic data and adequate speciation software. The reliability of such calculations is highly dependent on the equilibrium reactions that are considered as entry data, and the values chosen for the equilibrium constants. The working group “Speciation” of the CETAMA (Analytical methods establishment committee of the French Atomic Energy commission, CEA) has organized a modelling exercise, including four participants, in order to compare modellers’ selections of data and test thermodynamic data bases regarding the calculation of U(VI) inorganic speciation. Six different compositions of model waters were chosen so that to check the importance of ternary alkaline earth carbonate species of U(VI) on the aqueous speciation, and the possible uranium solid phases as solubility-limiting phases. The comparison of the results from the participants suggests (i) that it would be highly valuable for end-users to review thermodynamic constants of ternary carbonate species of U(VI) in a consistent way and implement them in available speciation data bases, and (ii) stresses the necessary care when using data bases to avoid biases and possible erroneous calculations

  4. Enhanced NH{sub 3} gas sensing performance based on electrospun alkaline-earth metals composited SnO{sub 2} nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Shuang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Kan, Kan [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Daqing Branch, Heilongjiang Academy of Sciences, Daqing 163319 (China); Yang, Ying; Jiang, Chao [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Gao, Jun [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Department of Chemistry, Harbin Normal University, Harbin 150025 (China); Jing, Liqiang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Shen, Peikang [Department of Physics and Engineering Sun Yat-sen University, Guangzhou 510275 (China); Li, Li, E-mail: llwjjhlju@sina.cn [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Key Laboratory of Chemical Engineering Process and Technology for High-efficiency Conversion, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); and others

    2015-01-05

    Highlights: • The small-sized SnO{sub 2} (5–7 nm) were obtained by adding the alkaline-earth. • Sr-composited SnO{sub 2} nanofibers showed uniform nanotubes structure (Sr/SnO{sub 2}). • Sr/SnO{sub 2} showed an excellent sensing performance to NH{sub 3} at room temperature. - Abstract: One-dimensional alkaline-earth metals composited SnO{sub 2} (Ae/SnO{sub 2}) nanofibres were fabricated via electrospinning technique, followed by thermal treatment at 600 °C for 5 h. Transmission electron microscopy (TEM) studies showed that the nanoparticles size of Ae/SnO{sub 2} was 5–7 nm, which was smaller than the pristine SnO{sub 2} nanorods attached by 20 nm nanoparticles. Moreover, Sr/SnO{sub 2} nanocomposites showed uniform nanotubes structure with the wall thickness of about 30 nm, in which all the nanoparticles were connected to their neighbors by necks. The Sr/SnO{sub 2} nanotubes exhibited an excellent sensing response toward NH{sub 3} gas at room temperature, lower detection limit (10 ppm), faster response time (6 s towards 2000 ppm∼16 s towards 10 ppm) and better reversibility compared to the pristine SnO{sub 2} nanorods. The enhanced sensor performances were attributed to the higher conductivity of the Sr/SnO{sub 2}. Mott–Schottky plots (M–S) and electrochemical impedance spectroscopy (EIS) measurements indicated that the carrier density of Sr/SnO{sub 2} nanotubes was 3 fold of that pristine SnO{sub 2}.

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

    International Nuclear Information System (INIS)

    Yasuda, Seiji; Kakiyama, Hitoo

    1975-01-01

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

  6. Mineralizer-assisted high-pressure high-temperature synthesis and characterization of novel phosphorus nitride imides and luminescent alkaline earth metal (oxo)nitridophosphates

    International Nuclear Information System (INIS)

    Marchuk, Alexey

    2016-01-01

    The main objectives of this thesis were the synthesis, identification and structural characterization of new alkaline earth metal (oxo)nitridophopshates and phosphorus nitrides. Furthermore, luminescence properties of the resulting materials should be investigated and a connection between these properties and the respective structures should be established. For this purpose, a range of synthesis strategies was employed, including conventional solid-state syntheses in silica ampoules and high-pressure high-temperature syntheses using the multianvil technique. The emphasis of the synthetic part of this thesis lies on the development of new synthetic strategies in order to increase crystallinity of alkaline earth metal (oxo)nitridophosphates and thus accelerate their structure determination. This involves the selection of a suitable mineralizer and the investigation of its interaction with the respective starting materials. In addition, the analytical methods applied in this thesis in order to identify and characterize the compounds are just as essential as the synthesis strategies. X-ray diffraction on single crystals and on powders was carried out as the main analytical method while being supported by quantitative and qualitative 1 H and 31 P solid-state NMR measurements, FTIR and energy-dispersive X-ray (EDX) spectroscopy, as well as electron microscopy methods including both imaging and diffraction techniques. Implied by the large number of novel structures investigated, theoretical studies including topological analysis, calculations of lattice energies and bond-valence sums also played a major role in this thesis. Optical analysis methods such as reflectance spectroscopy, luminescence microscopy and photoluminescence measurements helped to determine the luminescence properties of some of the presented compounds.

  7. Amorphous chalcogenides advances and applications

    CERN Document Server

    Wang, Rong Ping

    2014-01-01

    This book provides a comprehensive overview of the chalcogenide glass science and various applications based on the glasses. It starts with a review on the glass-forming ability of various systems, followed by a discussion on the structural and physical properties of various chalcolgenide glasses and their application in integrated optics. The chapters have been contributed by prominent experts from all over the world, and therefore, the book presents the recent research advances in the area. This book will appeal to anyone who is involved in glass science and technology and glass application.

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  9. Synthesis of alkaline-earth metal tungstates in melts of [NaNO3-M(NO3)2]eut-Na2WO4 (M=Ca, Sr, Ba) system

    International Nuclear Information System (INIS)

    Shurdumov, G.K.; Shurdumova, Z.V.; Cherkesov, Z.A.; Karmokov, A.M.

    2006-01-01

    Synthesis of alkaline earth metal tungstates in melts of eutectics of NaNO 3 -M(NO 3 ) 2 ] (M=Ca, Sr, Ba) is done. Synthesis is based in exchange reaction of calcium, strontium, and barium nitrates with sodium tungstate [ru

  10. Theoretical studies of the spin Hamiltonian parameters and local distortions for Cu{sup 2+} in alkaline earth lead zinc phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bo-Kun; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian [University of Electronic Science and Technology of China, Chengdu (China). School of Yingcai Honors; Wu, Shao-Yi; Teng, Bao-Hua; Wu, Ming-He [University of Electronic Science and Technology of China, Chengdu (China). Dept. of Applied Physics

    2016-11-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu{sup 2+}-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d{sup 9} cluster. The relative elongation ratios are found to be ρ ∼ 3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu{sup 2+}-O{sup 2-} electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Ba

  11. Method to synthesize metal chalcogenide monolayer nanomaterials

    Science.gov (United States)

    Hernandez-Sanchez, Bernadette A.; Boyle, Timothy J.

    2016-12-13

    Metal chalcogenide monolayer nanomaterials can be synthesized from metal alkoxide precursors by solution precipitation or solvothermal processing. The synthesis routes are more scalable, less complex and easier to implement than other synthesis routes.

  12. Metastable states in amorphous chalcogenide semiconductors

    CERN Document Server

    Mikla, Victor I

    2009-01-01

    This book addresses an interesting and technologically important class of materials, the amorphous chalcogenide semiconductors. Experimental results on the structural and electronic metastable states in Se-rich chalcogenides are presented. Special attention is paid to the states in the mobility gap and their sensitivity to various factors such as irradiation, annealing and composition. Photoinduced changes of structure and physical properties are also considered and structural transformation at photocrystallization is studied in detail. Finally, the authors discuss potential applications of th

  13. Metal chalcogenide nanostructures for renewable energy applications

    CERN Document Server

    Qurashi, Ahsanulhaq

    2014-01-01

    This first ever reference book that focuses on metal chalcogenide semiconductor nanostructures for renewable energy applications encapsulates the state-of-the-art in multidisciplinary research on the metal chalcogenide semiconductor nanostructures (nanocrystals, nanoparticles, nanorods, nanowires,  nanobelts, nanoflowers, nanoribbons and more).  The properties and synthesis of a class of nanomaterials is essential to renewable energy manufacturing and this book focuses on the synthesis of metal chalcogendie nanostructures, their growth mechanism, optical, electrical, and other important prop

  14. Rare earths and rare earth alloys electrolytic preparation process and device for this process

    International Nuclear Information System (INIS)

    Seon, F.; Barthole, G.

    1986-01-01

    Electrolysis of a molten salt of rare earth or rare earth alloy for preparation of the metal or alloy is described. The molten salt bath comprises at least a rare earth chloride, at least an alkaline or alkaline earth chloride and at least an alkaline or alkaline earth fluoride [fr

  15. II-I2-IV-VI4 (II = Sr,Ba; I = Cu,Ag; IV = Ge,Sn; VI = S,Se): Earth-Abundant Chalcogenides for Thin Film Photovoltaics

    Science.gov (United States)

    Zhu, Tong; Huhn, William P.; Shin, Donghyeop; Mitzi, David B.; Blum, Volker; Saparov, Bayrammurad

    Chalcogenides such as CdTe, CIGSSe, and CZTSSe are successful for thin film photovoltaics (PV) but contain elements that are rare, toxic, or prone to the formation of detrimental antisite disorder. Recently, the BaCu2SnS4-xSex system has been shown to offer a prospective path to circumvent these problems. While early prototypes show efficiencies of a few percent, many avenues remain to optimize the materials, including the underlying chemical composition. In this work, we explore 16 compounds II-I2-IV-VI4 to help identify new candidate materials for PV, with predictions based on both known experimental and computationally derived structures that belong to five different space groups. We employ hybrid density functional theory (HSE06) to explore the band gap tunability by substituting different elements, and other characteristics such as the effective mass and the absorption coefficient. Compounds containing Cu (rather than Ag) are found to have direct or nearly direct band gaps. Depending on the compound, replacing S with Se leads to a decrease of the predicted band gaps by 0.2-0.8 eV and to somewhat decreasing hole effective masses.

  16. Influence of alkali metal oxides and alkaline earth metal oxides on the mitigation of stress corrosion cracking in CANDU fuel sheathing

    Energy Technology Data Exchange (ETDEWEB)

    Metzler, J.; Ferrier, G.A.; Farahani, M.; Chan, P.K.; Corcoran, E.C., E-mail: Joseph.Metzler@rmc.ca [Royal Military College of Canada, Kingston, ON (Canada)

    2015-07-01

    This work investigates strategies to mitigate stress corrosion cracking (SCC) in Zircaloy-4 sheathing materials. The CANLUB coatings currently used in CANDU reactors contain both alkali metal and alkaline earth metal impurities, which can exist as oxides (e.g., Na{sub 2}O and CaO). It is believed that when the corrosive fission product iodine reacts with these oxides, the iodine can be sequestered through the formation of an iodide (e.g.,NaI and CaI{sub 2}). The subsequent O{sub 2} release may repair cracks in the protective ZrO{sub 2} layer on the sheathing, shielding the Zircaloy-4 sheathing from further corrosive fission product attack. For this investigation, O{sub 2} gas, Na{sub 2}O, and CaO were separately introduced into an environment wherein slotted Zircaloy-4 rings endure mechanical stresses in iodine vapour at high temperatures. Controlled additions of O{sub 2} gas created a slight reduction in the corrosive attack on Zircaloy-4 sheathing, while the inclusion of Na{sub 2}O and CaO lead to greater reductions. (author)

  17. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation.

    Science.gov (United States)

    Ma, Jin-Gang; Zhang, Cai-Rong; Gong, Ji-Jun; Wu, You-Zhi; Kou, Sheng-Zhong; Yang, Hua; Chen, Yu-Hong; Liu, Zi-Jiang; Chen, Hong-Shan

    2015-08-24

    Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs) to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  18. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

    Directory of Open Access Journals (Sweden)

    Jin-Gang Ma

    2015-08-01

    Full Text Available Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  19. Theoretical Study on the Extraction of Alkaline Earth Salts by 18-Crown-6: Roles of Counterions, Solvent Types and Extraction Temperatures

    Directory of Open Access Journals (Sweden)

    Saprizal Hadisaputra

    2014-07-01

    Full Text Available The roles of counterions, solvent types and extraction temperatures on the selectivity of 18-crown-6 (L toward alkaline earth salts MX2 (M = Ca, Sr, Ba; X = Cl-, NO3- have been studied by density functional method at B3LYP level of theory in gas and solvent phase. In gas phase, the chloride anion Cl- is the preference counterion than nitrate anion NO3-. This result is confirmed by the interaction energies, the second order interaction energies, charge transfers, energy difference between HOMO-LUMO and electrostatic potential maps. The presence of solvent reversed the gas phase trend. It is found that NO3- is the preference counterion in solvent phase. The calculated free energies demonstrate that the solvent types strongly change the strength of the complex formation. The free energies are exothermic in polar solvent while for the non polar solvent the free energies are endothermic. As the temperature changes the free energies also vary where the higher the temperatures the lower the free energy values. The calculated free energies are correlated well with the experimental stability constants. This theoretical study would have a strong contribution in planning the experimental conditions in terms of the preference counterions, solvent types and optimum extraction temperatures.

  20. High hydrogen loading of thin palladium wires through alkaline earth carbonates' precipitation on the cathodic surface - evidence of a new phase in the Pd-H system

    International Nuclear Information System (INIS)

    Celani, F.; Spallone, A.; Di Gioacchino, D.; Marini, P.; Di Stefano, V.; Nakamura, M.; Pace, S.; Vecchione, A.; Tripodi, P.

    2000-01-01

    A new protocol for the electrolytic loading of hydrogen (H) in thin palladium (Pd) wires has been developed. In order to increase the cathodic overvoltage, which is known to be the main parameter capable to enhance the electrolytic H loading of Pd, the catalytic action of the Pd surface versus H-H recombination has been strongly reduced by precipitation of a thin layer of alkaline-earth carbonates on the cathode. A set of electrolytes has been employed, containing small amounts of hydrochloric or sulfuric acid and strontium or calcium ions. The H loading has been continuously evaluated through ac measurements of the Pd wire resistance. Uncommonly low resistivity values, leading to an estimate of exceptionally high H loading, have been observed. Evidence of the existence of a new phase in the very high H content region of the Pd-H system has been inferred on the basis of the determination of the temperature coefficient of the electrical resistivity. Mainly for this purpose a thin layer of Hg was galvanically deposed on the cathodic surface, in order to prevent any H deloading during the measurements. The results have been fully reproduced in other 2 well equipped and experienced Laboratories (Italy, USA)

  1. CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

    Science.gov (United States)

    Duan, Yuhua; Sorescu, Dan C

    2010-08-21

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents.

  2. Theoretical study for the reduction of N2O with CO Mediated by alkaline-earth metal oxide cations 2MO+(M=Ca, Sr, Ba)

    International Nuclear Information System (INIS)

    Zhang Jianhui; Leng Yanli; Wang Yongcheng

    2013-01-01

    The reaction mechanism of the reaction N 2 O( 0 Σ + ) + CO ( 1 Σ + )→N 2 ( 1 Σ g + ) + CO 2 ( 1 Σ g + ) mediated by alkaline-earth metal oxide cations 2 MO + (m=Ca, Sr, Ba) have been investigated by using the UB3LYP and CCSD (T) levels of theory. The O-atom affinities (OA) testified that only the 2 CaO + can capture O from N 2 O and transfer O to CO is thermodynamically allowed in three ions. The processes can be expressed as channels l and 2 for the reaction of N 2 O and CO mediated by 2 MO + (M=Ca, Sr, Ba). For the former, the main reaction processes in a two-step manner to products, the 2 MO + , as a catalyzer, transports an oxygen atom from N 2 O to CO. For the latter, firstly, the N 2 O interact with the 2 MO + to form IM1, then IM1 interact with the CO to form IM2', along the reaction pathway the intermediate species convert into products 2 1MO + , N 2 and CO 2 . From above results, the following conclusion was drawn. The channel 2 is kinetically and thermodynamically feasible. Our calculated results show the title reactions are accord with the experiment. (authors)

  3. Comparison of arsenic acid with phosphoric acid in the interaction with a water molecule and an alkali/alkaline-earth metal cation.

    Science.gov (United States)

    Park, Sung Woo; Kim, Chang Woo; Lee, Ji Hyun; Shim, Giwoong; Kim, Kwang S

    2011-10-20

    Recently, Wolfe-Simon has discovered a bacterium which is able to survive using arsenic(V) rather than phosphorus(V) in its DNA. Thus it is important to investigate some important structural and chemical similarities and dissimilarities between phosphate and arsenate. We compared the monohydrated structures and the alkali/alkaline-earth metal (Na(+), K(+), Mg(2+) and Ca(2+)) complexes of the arsenic acid/anions with those of the phosphoric acid/anions [i.e., H(m)PO(4)(-(3-m)) vs H(m)AsO(4)(-(3-m)) (m = 1-3)]. We carried out geometry optimization along with harmonic frequency calculations using ab initio calculations. Despite the increased van der Waals radius of As, the hydrated structures of both P and As systems show very close similarity (within 0.25 Å in the P/As···O(water) distance and within a few kJ/mol in binding energy) because of the increased induction energies by more polar arsenic acid/anons and slightly increased dispersion energy by a larger size of the As atom. In the metal complexes, the arsenic acid has a slightly larger binding distance (by 0.07-1.0 Å) and weaker binding energy because the As(V) ion has a slightly larger radius than the P(V) ion, and the electrostatic interaction is the dominating feature in these systems.

  4. Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds II: Fluorides, Chlorides, Oxides, and Hydroxides for Ba, Sr, and Ra.

    Science.gov (United States)

    Vasiliu, Monica; Hill, J Grant; Peterson, Kirk A; Dixon, David A

    2018-01-11

    Geometry parameters, vibrational frequencies, heats of formation, bond dissociation energies, cohesive energies, and selected fluoride affinities (difluorides) are predicted for the late alkaline earth (Sr, Ba, and Ra) oxides, fluorides, chlorides, and hydroxides at the coupled cluster theory CCSD(T) level. Additional corrections (scalar relativistic and pseudopotential corrections, vibrational zero-point energies, and atomic spin-orbit effects) were included to accurately calculate the total atomization energies and heats of formation following the Feller-Peterson-Dixon methodology. The calculated values are compared to the experimental data where available. In some cases, especially for Ra compounds, there are no experimental results, or the experimental energetics and geometries are not reliable or have very large error bars. All of the Sr, Ba, and Ra difluorides, dichlorides, and dihydroxides are bent structures with the OMO bond angles decreasing going down the group. The cohesive energies of bulk Be dihalides are predicted to be quite low, while those of Ra are relatively large. The fluoride affinities show that the difluorides are moderately strong Lewis acids and that such trifluorides may form under the appropriate experimental conditions.

  5. Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4′-carboxylphenyl)benzene

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Jiang Ping; Yan, Zhi Shuo; Long, Ji Ying [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Gong, Yun, E-mail: gongyun7211@cqu.edu.cn [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Lin, Jian Hua, E-mail: jhlin@pku.edu.cn [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2017-01-15

    By using a rigid dicarboxylate ligand, 4,5-di(4′-carboxylphenyl)benzene (H{sub 2}L), two complexes formulated as SrL(DMF)(H{sub 2}O)·(CH{sub 3}CN) (DMF=N,N′-dimethylformamide) (1) and BaL(H{sub 2}O){sub 2} (2) were solvothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Complexes 1 and 2 display two-dimensional (2D) layer structures. The two complexes exhibit different electrochemical and photoelectrochemical properties. Their thermal stabilities, cyclic voltammograms, UV–vis absorption and diffuse reflectance spectra and photoluminescence properties have been investigated. The band structures, the total density of states (TDOS) and partial density of states (PDOS) of the two complexes were calculated by CASTEP program. Complex 2 exhibits much higher photocurrent density than complex 1. The Mott–Schottky plots reveal that complexes 1 and 2 both are p-type semiconductors, which are in agreement with their band structure calculations. - Graphical abstract: Two alkaline earth metal(II) complexes with 2D layer structures are p-type semiconductors, they possess different band structures and density of states. And the Ba(II) complex 2 exhibits much higher photocurrent density than the Sr(II) complex 1.

  6. Pma1 is an alkali/alkaline earth metal cation ATPase that preferentially transports Na(+) and K(+) across the Mycobacterium smegmatis plasma membrane.

    Science.gov (United States)

    Ayala-Torres, Carlos; Novoa-Aponte, Lorena; Soto, Carlos Y

    2015-07-01

    Mycobacterium smegmatis Pma1 is the orthologue of M. tuberculosis P-type ATPase cation transporter CtpF, which is activated under stress conditions, such as hypoxia, starvation and response to antituberculous and toxic substances. The function of Pma1 in the mycobacterial processes across the plasma membrane has not been characterised. In this work, bioinformatic analyses revealed that Pma1 likely contains potential sites for, Na(+), K(+) and Ca(2+) binding and transport. Accordingly, RT-qPCR experiments showed that M. smegmatis pma1 transcription is stimulated by sub-lethal doses of Na(+), K(+) and Ca(2+); in addition, the ATPase activity of plasma membrane vesicles in recombinant Pma1-expressing M. smegmatis cells is stimulated by treatment with these cations. In contrast, M. smegmatis cells homologously expressing Pma1 displayed tolerance to high doses of Na(+) and K(+) but not to Ca(2+) ions. Consistently, the recombinant protein Km embedded in plasma membrane demonstrated that Ca(2+) has more affinity for Pma1 than Na(+) and K(+) ions; furthermore, the estimation of Vmax/Km suggests that Na(+) and K(+) ions are more efficiently translocated than Ca(2+). Thus, these results strongly suggest that Pma1 is a promiscuous alkali/alkaline earth cation ATPase that preferentially transports Na(+) and/or K(+) across the mycobacterial plasma membrane. Copyright © 2015 Elsevier GmbH. All rights reserved.

  7. Commercial alkaline earth boroaluminosilicate glasses for sealing solid oxide cell stacks Part II: Characterization of devitrification and glass-ceramic phase assemblages

    DEFF Research Database (Denmark)

    Agersted, Karsten; Balic-Zunic, T.

    2018-01-01

    The devitrification process and formation of crystalline phases from commercial alkaline earth boroaluminosilicate glasses containing 48-61 mol% SiO2, 18-28 mol% CaO, 1-7 mol% MgO, 7-10 mol% Al2O3, 1-11 mol% B2O3 plus minor amounts of Na2O, K2O, FeO and TiO2 were quantified through analysis...... of phase assemblages as function of heat treatments above the glass transition temperatures using the electron microprobe and powder X-ray diffraction. Treatments at 800 °C and 850 °C lasted up to 6 weeks. Results indicate that devitrification was strongly activated through presence of heterogeneous...... nucleation, and that the growth mechanism gradually changed from three-dimensional growth at the onset of devitrification towards one-dimensional growth in later stages, when heterogeneous nucleation was absent or less dominating. Most glasses developed entangled and fibrous microstructures with little...

  8. Commercial alkaline earth boroaluminosilicate glasses for sealing solid oxide cell stacks. Part I: Development of glass-ceramic microstructure and thermomechanical properties

    DEFF Research Database (Denmark)

    Agersted, Karsten; Balic-Zunic, Tonci

    2018-01-01

    Sealing performance in solid oxide cell (SOC) stacks and the devitrification process of commercially available alkaline earth boroaluminosilicate glasses containing 48‐61 mol% SiO2, 18‐28 mol% CaO, 1‐7 mol% MgO, 7‐10 mol% Al2O3, 1‐11 mol% B2O3 plus minor amounts of Na2O, K2O, FeO, and TiO2 were...... investigated and quantified through analysis of phase assemblages as function of heat treatments above the glass transition temperatures using the electron microprobe and powder X‐ray diffraction. For two of these glasses devitrification behavior was compared to the devitrification behavior of similar glasses...... produced in the laboratory. Glasses were characterized after annealing in air at 800°C and 850°C for up to 6 weeks. Even though the glasses lie within a relatively narrow compositional range, sealing performance and the resulting microstructures differed significantly. Best thermomechanical properties...

  9. Hydrogen and syngas production by catalytic gasification of algal biomass (Cladophora glomerata L.) using alkali and alkaline-earth metals compounds.

    Science.gov (United States)

    Ebadi, Abdol Ghaffar; Hisoriev, Hikmat; Zarnegar, Mohammad; Ahmadi, Hamed

    2018-01-02

    The steam gasification of algal biomass (Cladophora glomerata L.) in presence of alkali and alkaline-earth metal compounds catalysts was studied to enhance the yield of syngas and reduce its tar content through cracking and reforming of condensable fractions. The commercial catalysts used include NaOH, KHCO 3 , Na 3 PO 4 and MgO. The gasification runs carried out with a research scale, biomass gasification unit, show that the NaOH has a strong potential for production of hydrogen, along with the added advantages of char converting and tar destruction, allowing enhancement of produced syngas caloric value. When the temperature increased from 700°C to 900°C, the tar content in the gas sharply decreased, while the hydrogen yield increased. Increasing steam/biomass ratio significantly increased hydrogen yield and tar destruction; however, the particle size in the range of 0.5-2.5 mm played a minor role in the process.

  10. Transfer of alkaline earth elements in mothers' milk and doses from {sup 45}Ca, {sup 90}Sr and {sup 226}Ra

    Energy Technology Data Exchange (ETDEWEB)

    Smith, T.J.; Phipps, A.W.; Fell, T.P.; Harrison, J.D

    2003-07-01

    An international programme of work is currently under way to develop methods for calculating doses to infants from ingestion of radionuclides present in mothers' milk. This paper considers the special case of the alkaline earth elements. Models have been developed for {sup 45}Ca, {sup 90}Sr and {sup 226}Ra and the sensitivity of results to various changes in parameter values is discussed. A complication when calculating doses from intakes of radium is that the International Commission on Radiological Protection has previously recommended that doses from decay products of radium should be calculated using element-specific biokinetic models (so-called independent biokinetics). An extension of this method to the models for breastfeeding is proposed. Preliminary estimates of the doses received by the infant for a number of maternal intake scenarios show that doses to the infant can exceed the corresponding adult dose, such as for {sup 45}Ca (ratio = 3.1) while, in other cases such as {sup 90}Sr, the infant dose can be a significant fraction of the adult dose. (author)

  11. Study of the effect hydrogen binding in the solvation of alkaline earth cations with MeOH in nitromethane using 1 H NMR technique and determination of ionic solvation number

    CERN Document Server

    Alizadeh, N

    2001-01-01

    A proton NMR method for the study of the effect hydrogen binding and determination of solvation numbers of alkaline earth cations with methanol (MeOH) in in tromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of MeOH protons as a function of MeOH to metal ion mole ratio at constant metal ion concentration. the average solvation number of cation, n, at any MeOH/ metal ion mole ration was calculated from the NMR chemical shift-mole ration data and was plotted against the mole ration values. The solvation numbers of alkaline earth cations were obtained from the limiting values of the corresponding n, vs. mole ratio plots.

  12. Study of the effect hydrogen binding in the solvation of alkaline earth cations with MeOH in nitromethane using 1 H NMR technique and determination of ionic solvation number

    International Nuclear Information System (INIS)

    Alizadeh, N.

    2001-01-01

    A proton NMR method for the study of the effect hydrogen binding and determination of solvation numbers of alkaline earth cations with methanol (MeOH) in in tromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of MeOH protons as a function of MeOH to metal ion mole ratio at constant metal ion concentration. the average solvation number of cation, n, at any MeOH/ metal ion mole ration was calculated from the NMR chemical shift-mole ration data and was plotted against the mole ration values. The solvation numbers of alkaline earth cations were obtained from the limiting values of the corresponding n, vs. mole ratio plots

  13. Oxidation of Commercial Petronas Diesel with Tert-Butyl Hydroperoxide Over Poly molybdate Alumina Supported Catalyst Modified With Alkaline Earth Metals

    International Nuclear Information System (INIS)

    Wan Nazwanie Wan Abdullah; Rusmidah Ali; Wan Azlee Wan Abu Bakar

    2016-01-01

    Due to strict environmental legislation for ultra-low sulfur diesel fuels, increasing technical and operational challenges are imposed to conventional hydrodesulfurization (HDS) technology. Therefore, catalytic oxidative desulfurization (Cat-ODS) has been suggested to be an alternative method to replace a conventional method which is hydrodesulfurization. In this study, catalytic oxidation of commercial diesel was performed using an oil-soluble oxidant, tert-butyl hydroperoxide (TBHP), over poly molybdate supported on alumina MoO_3-PO_4/ Al_2O_3 catalyst. A commercial Petronas diesel with 440 ppm of total sulfur was employed to evaluate the elimination of sulfur compounds. Besides, the percentage of sulfur removal was measured by (GC-FPD). Alkaline earth metals, such as Calcium (Ca), Barium (Ba) and Strontium (Sr) were introduced on the surface of MoO_3-PO_4/ Al_2O_3. The results showed that the catalytic activity decreased in the order, Ca/ MoO_3-PO_4/ Al_2O_3>Sr/ MoO_3-PO_4/ Al_2O_3> Ba/ MoO_3-PO_4/ Al_2O_3. The Ca/ MoO_3-PO_4/ Al_2O_3 catalyst was characterized by XRD and FESEM. XRD results showed that the best catalyst was highly amorphous while FESEM micrograph illustrated an aggregation and agglomeration of various particle sizes. The catalytic activity of Ca/ MoO_3-PO_4/ Al_2O_3 catalyst with various Ca/ Mo ratios were also studied. When the Ca/ Mo ratio was 15:85, the sulfur removal was the highest (79 %) at 45 degree Celsius, 30 min and O/ S molar ratio 3.0 with solvent = dimethylformamide (DMF), diesel/ solvent ratio = 1.0. (author)

  14. Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mironchuk, E. S.; Narits, A. A.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2015-11-15

    The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)

  15. Doping of alkali, alkaline-earth, and transition metals in covalent-organic frameworks for enhancing CO2 capture by first-principles calculations and molecular simulations.

    Science.gov (United States)

    Lan, Jianhui; Cao, Dapeng; Wang, Wenchuan; Smit, Berend

    2010-07-27

    We use the multiscale simulation approach, which combines the first-principles calculations and grand canonical Monte Carlo simulations, to comprehensively study the doping of a series of alkali (Li, Na, and K), alkaline-earth (Be, Mg, and Ca), and transition (Sc and Ti) metals in nanoporous covalent organic frameworks (COFs), and the effects of the doped metals on CO2 capture. The results indicate that, among all the metals studied, Li, Sc, and Ti can bind with COFs stably, while Be, Mg, and Ca cannot, because the binding of Be, Mg, and Ca with COFs is very weak. Furthermore, Li, Sc, and Ti can improve the uptakes of CO2 in COFs significantly. However, the binding energy of a CO2 molecule with Sc and Ti exceeds the lower limit of chemisorptions and, thus, suffers from the difficulty of desorption. By the comparative studies above, it is found that Li is the best surface modifier of COFs for CO2 capture among all the metals studied. Therefore, we further investigate the uptakes of CO2 in the Li-doped COFs. Our simulation results show that at 298 K and 1 bar, the excess CO2 uptakes of the Li-doped COF-102 and COF-105 reach 409 and 344 mg/g, which are about eight and four times those in the nondoped ones, respectively. As the pressure increases to 40 bar, the CO2 uptakes of the Li-doped COF-102 and COF-105 reach 1349 and 2266 mg/g at 298 K, respectively, which are among the reported highest scores to date. In summary, doping of metals in porous COFs provides an efficient approach for enhancing CO2 capture.

  16. Iron chalcogenide superconductors at high magnetic fields

    Science.gov (United States)

    Lei, Hechang; Wang, Kefeng; Hu, Rongwei; Ryu, Hyejin; Abeykoon, Milinda; Bozin, Emil S; Petrovic, Cedomir

    2012-01-01

    Iron chalcogenide superconductors have become one of the most investigated superconducting materials in recent years due to high upper critical fields, competing interactions and complex electronic and magnetic phase diagrams. The structural complexity, defects and atomic site occupancies significantly affect the normal and superconducting states in these compounds. In this work we review the vortex behavior, critical current density and high magnetic field pair-breaking mechanism in iron chalcogenide superconductors. We also point to relevant structural features and normal-state properties. PMID:27877518

  17. Chalcogenides Metastability and Phase Change Phenomena

    CERN Document Server

    Kolobov, Alexander V

    2012-01-01

    A state-of-the-art description of metastability observed in chalcogenide alloys is presented with the accent on the underlying physics. A comparison is made between sulphur(selenium)-based chalcogenide glasses, where numerous photo-induced phenomena take place entirely within the amorphous phase, and tellurides where a reversible crystal-to-amorphous phase-change transformation is a major effect. Applications of metastability in devices¿optical memories and nonvolatile electronic phase-change random-access memories among others are discussed, including the latest trends. Background material essential for understanding current research in the field is also provided.

  18. Surfactant free metal chalcogenides microparticles consisting of ...

    Indian Academy of Sciences (India)

    SANYASINAIDU GOTTAPU

    2017-11-11

    Nov 11, 2017 ... Metal chalcogenides; copper sulphide; copper selenide; micro flowers. 1. Introduction .... adding calculated quantity (2.7 mmol) of each acid separately. .... salts (LiCl, LiNO3, and LiOAc), and then hydride ions from (BH. − ... Concentration of metal .... hait A and Lim J Y 2016 Cation exchange synthesis of.

  19. Multimode supercontinuum generation in chalcogenide glass fibres

    DEFF Research Database (Denmark)

    Kubat, Irnis; Bang, Ole

    2016-01-01

    Mid-infrared supercontinuum generation is considered in chalcogenide fibres when taking into account both polarisations and the necessary higher order modes. In particular we focus on high pulse energy supercontinuum generation with long pump pulses. The modeling indicates that when only a single...

  20. Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties.

    Science.gov (United States)

    Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine

    2018-02-01

    In coordination chemistry and crystal engineering, many factors influence the construction of coordination polymers and the final frameworks depend greatly on the organic ligands used. The diverse coordination modes of N-donor ligands have been employed to assemble metal-organic frameworks. Carboxylic acid ligands can deprotonate completely or partially when bonding to metal ions and can also act as donors or acceptors of hydrogen bonds; they are thus good candidates for the construction of supramolecular architectures. We synthesized under reflux or hydrothermal conditions two new alkaline earth(II) complexes, namely poly[(1,10-phenanthroline-κ 2 N,N')bis(μ-3-phenylprop-2-enoato-κ 3 O,O':O)calcium(II)], [Ca(C 10 H 7 O 2 ) 2 (C 10 H 8 N 2 )] n , (1), and poly[(1,10-phenanthroline-κ 2 N,N')(μ 3 -3-phenylprop-2-enoato-κ 4 O:O,O':O')(μ-3-phenylprop-2-enoato-κ 3 O,O':O)barium(II)], [Ba(C 10 H 7 O 2 ) 2 (C 10 H 8 N 2 )] n , (2), and characterized them by FT-IR and UV-Vis spectroscopies, thermogravimetric analysis (TGA) and single-crystal X-ray diffraction analysis, as well as by powder X-ray diffraction (PXRD) analysis. Complex (1) features a chain topology of type 2,4 C4, where the Ca atoms are connected by O and N atoms, forming a distorted bicapped trigonal prismatic geometry. Complex (2) displays chains of topology type 2,3,5 C4, where the Ba atom is nine-coordinated by seven O atoms of bridging/chelating carboxylate groups from two cinnamate ligands and by two N atoms from one phenanthroline ligand, forming a distorted tricapped prismatic arrangement. Weak C-H...O hydrogen bonds and π-π stacking interactions between phenanthroline ligands are responsible to the formation of a supramolecular three-dimensional network. The thermal decompositions of (1) and (2) in the temperature range 297-1173 K revealed that they both decompose in three steps and transform to the corresponding metal oxide.

  1. Chemical composition of modern and fossil hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation - Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Science.gov (United States)

    Brügmann, G.; Krause, J.; Brachert, T. C.; Stoll, B.; Weis, U.; Kullmer, O.; Ssemmanda, I.; Mertz, D. F.

    2012-11-01

    This study demonstrates that alkaline earth elements in enamel of hippopotamids, in particular Ba and Sr, are tracers for water provenance and hydrochemistry in terrestrial settings. The studied specimens are permanent premolar and molar teeth found in modern and fossil lacustrine sediments of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi) and from modern fluvial environments of the Nile River. Concentrations in enamel vary by two orders of magnitude for Ba (120-9336 μg g-1) as well as for Sr (9-2150 μg g-1). The variations are partially induced during post-mortem alteration and during amelogenesis, but the major contribution originates ultimately from the variable water chemistry in the habitats of the hippopotamids which is controlled by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of MgO, Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel-dentin junction by a factor of 1.3-1.9. These elements are well correlated in single specimens, thus suggesting that their distribution is determined by a common, single process, which can be described by closed system Rayleigh crystallization of bioapatite in vivo. Enamel from most hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores. However, Ba/Sr ranges from 0.1 to 3 and varies on spatial and temporal scales. Thus, Sr concentrations and Ba/Sr in enamel differentiate between habitats having basaltic mantle rocks or Archean crustal rocks as the ultimate sources of Sr and Ba. This provenance signal is modulated by climate change. In Miocene to Pleistocene enamel from the Lake Albert region, Ba/Sr decreases systematically with time from 2 to 0.5. This trend can be correlated with changes in climate from humid to arid, in vegetation from C3 to C4 biomass as well as with increasing evaporation of the lake water

  2. Surprisingly Different Reaction Behavior of Alkali and Alkaline Earth Metal Bis(trimethylsilyl)amides toward Bulky N-(2-Pyridylethyl)-N'-(2,6-diisopropylphenyl)pivalamidine.

    Science.gov (United States)

    Kalden, Diana; Oberheide, Ansgar; Loh, Claas; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias

    2016-07-25

    N-(2,6-Diisopropylphenyl)-N'-(2-pyridylethyl)pivalamidine (Dipp-N=C(tBu)-N(H)-C2 H4 -Py) (1), reacts with metalation reagents of lithium, magnesium, calcium, and strontium to give the corresponding pivalamidinates [(tmeda)Li{Dipp-N=C(tBu)-N-C2 H4 -Py}] (6), [Mg{Dipp-N=C(tBu)-N-C2 H4 -Py}2 ] (3), and heteroleptic [{(Me3 Si)2 N}Ae{Dipp-N=C(tBu)-N-C2 H4 -Py}], with Ae being Ca (2 a) and Sr (2 b). In contrast to this straightforward deprotonation of the amidine units, the reaction of 1 with the bis(trimethylsilyl)amides of sodium or potassium unexpectedly leads to a β-metalation and an immediate deamidation reaction yielding [(thf)2 Na{Dipp-N=C(tBu)-N(H)}] (4 a) or [(thf)2 K{Dipp-N=C(tBu)-N(H)}] (4 b), respectively, as well as 2-vinylpyridine in both cases. The lithium derivative shows a similar reaction behavior to the alkaline earth metal congeners, underlining the diagonal relationship in the periodic table. Protonation of 4 a or the metathesis reaction of 4 b with CaI2 in tetrahydrofuran yields N-(2,6-diisopropylphenyl)pivalamidine (Dipp-N=C(tBu)-NH2 ) (5), or [(thf)4 Ca{Dipp-N=C(tBu)-N(H)}2 ] (7), respectively. The reaction of AN(SiMe3 )2 (A=Na, K) with less bulky formamidine Dipp-N=C(H)-N(H)-C2 H4 -Py (8) leads to deprotonation of the amidine functionality, and [(thf)Na{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 a) or [(thf)K{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 b), respectively, are isolated as dinuclear complexes. From these experiments it is obvious, that β-metalation/deamidation of N-(2-pyridylethyl)amidines requires bases with soft metal ions and also steric pressure. The isomeric forms of all compounds are verified by single-crystal X-ray structure analysis and are maintained in solution. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Earth

    CERN Document Server

    Carter, Jason

    2017-01-01

    This curriculum-based, easy-to-follow book teaches young readers about Earth as one of the eight planets in our solar system in astronomical terms. With accessible text, it provides the fundamental information any student needs to begin their studies in astronomy, such as how Earth spins and revolves around the Sun, why it's uniquely suitable for life, its physical features, atmosphere, biosphere, moon, its past, future, and more. To enhance the learning experience, many of the images come directly from NASA. This straightforward title offers the fundamental information any student needs to sp

  4. High-Purity Glasses Based on Arsenic Chalcogenides

    Science.gov (United States)

    2001-06-01

    Chemical interaction of chalcogenides and some impurities (CS 2, TeO2 ) with the quartz glass at high temperature leads to the thin layers formation...UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADPO1 1523 TITLE: High-Purity Glasses Based on Arsenic Chalcogenides...Materials Vol. 3, No. 2, June 2001, p. 341 - 349 HIGH-PURITY GLASSES BASED ON ARSENIC CHALCOGENIDES M. F. Churbanov, I. V. Scripachev, G. E. Snopatin, V. S

  5. {sup 1}H and {sup 23}Na MAS NMR spectroscopy of cationic species in CO{sub 2} selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Arevalo-Hidalgo, Ana G. [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico); Dugar, Sneha; Fu, Riqiang [National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310 (United States); Hernandez-Maldonado, Arturo J., E-mail: arturoj.hernandez@upr.edu [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico)

    2012-07-15

    The location of extraframework cations in Sr{sup 2+} and Ba{sup 2+} ion-exchanged SAPO-34 was estimated by means of {sup 1}H and {sup 23}Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO{sub 2} adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO{sub 2} adsorption performance. Highlights: Black-Right-Pointing-Pointer Location of extraframework Sr{sup 2+} or Ba{sup 2+} cations was estimated by means of {sup 1}H and {sup 23}Na MAS NMR. Black-Right-Pointing-Pointer Level of Sr{sup 2+} or Ba{sup 2+} ion exchange was limited by the presence of protons and sodium cations. Black-Right-Pointing-Pointer Presence of ammonium cations in the supercages facilitated the exchange. Black-Right-Pointing-Pointer Sr{sup 2+} and Ba{sup 2+} ion exchanged SAPOs are outstanding CO{sub 2} adsorbents.

  6. Mixed ligand complexes of alkaline earth metals: Part XII. Mg(II, Ca(II, Sr(II and Ba(II complexes with 5-chlorosalicylaldehyde and salicylaldehyde or hydroxyaromatic ketones

    Directory of Open Access Journals (Sweden)

    MITHLESH AGRAWAL

    2002-04-01

    Full Text Available The reactions of alkaline earth metal chlorides with 5-chlorosalicylaldehyde and salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been carried out in 1 : 1 : 1 mole ratio and the mixed ligand complexes of the type MLL’(H2O2 (where M = Mg(II, Ca(II, Sr(II and Ba(II, HL = 5-chlorosalicylaldehyde and HL’ = salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been isolated. These complexes were characterized by TLC, conductance measurements, IR and 1H-NMR spectra.

  7. A comparative study between the dissolution and the leaching methods for the separation of rare earths, uranium and thorium from hydrous metal oxide cake obtained by the alkaline digestion of monazite

    International Nuclear Information System (INIS)

    Chayavadhanangkur, C.; Busamongkol, A.; Hongsirinirachorn, S.; Rodthongkom, C.; Sirisena, K.

    1986-12-01

    Methods for the group-separation of rare-earths, thorium and uranium from hydrous metal oxide cake obtained by the alkaline digestion of monazite were studied. Leaching of the hydrous metal oxide cake at pH between 4-5 separates the elements under investigation into 3 major groups which are suitable to be used as feed materials for further purification. Total dissolution and gradient precipitation at pH 4-5 yields a poorer separation in comparison to the leaching method

  8. Dry etching of thin chalcogenide films

    Energy Technology Data Exchange (ETDEWEB)

    Petkov, Kiril [Acad. J. Malinowski Central Laboratory of Photoprocesses, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Bl. 109, 1113 Sofia (Bulgaria); Vassilev, Gergo; Vassilev, Venceslav, E-mail: kpetkov@clf.bas.b [Department of Semiconductors, University of Chemical Technology and Metallurgy, 8 Kl. Ohridsky Blvd., 1756 Sofia (Bulgaria)

    2010-04-01

    Fluorocarbon plasmas (pure and mixtures with Ar) were used to investigate the changes in the etching rate depending on the chalcogenide glasses composition and light exposure. The experiments were performed on modified commercial HZM-4 vacuum equipment in a diode electrode configuration. The surface microstructure of thin chalcogenide layers and its change after etching in CCl{sub 2}F{sub 2} and CF{sub 4} plasmas were studied by SEM. The dependence of the composition of As-S-Ge, As-Se and multicomponent Ge-Se-Sb-Ag-I layers on the etching rate was discussed. The selective etching of some glasses observed after light exposure opens opportunities for deep structure processing applications.

  9. Open-framework micro- and meso-structured chalcogenides and their ion exchange properties

    Science.gov (United States)

    Ding, Nan

    2007-12-01

    are aligned through each layer, adding a pseudo-3D feature to the compounds. This leads to excellent ion-exchange properties. More remarkably, these compounds showed exceptional selectivity for Cs+ ions than any other alkali metal and alkaline earth metal cations due to the soft acid (Cs +)/soft base (S2-) attraction and the size discrimination imposed by the open windows within the frameworks. These properties point to a new direction of designing compounds for possible radioactive 137Cs+ remediation. With the even larger surfactant molecules in water, metal cations In 3+, Zn2+ and Cd2+ can connect [SbSe 4]3- clusters via coordination chemistry to form cubic and hexagonal mesophases. In addition to the linking effect, these metal cations also played the role of Lewis acids and partially reduced [SbSe4] 3- to [SbSe3]3-, both of which are present in the long-range ordered mesostructures. Short range order in a mesostuctured chalcogenide was approached, when structurally rigid Chevrel clusters [Re 6Se6Br8]2- were linked by triselenide anions via metathesis. Higher angle Bragg reflections of this compound provided an opportunity to build a structural model for the first time for a chalcogen-based mesophase.

  10. Chalcogenide Glass Optical Waveguides for Infrared Biosensing

    Directory of Open Access Journals (Sweden)

    Bruno Bureau

    2009-09-01

    Full Text Available Due to the remarkable properties of chalcogenide (Chg glasses, Chg optical waveguides should play a significant role in the development of optical biosensors. This paper describes the fabrication and properties of chalcogenide fibres and planar waveguides. Using optical fibre transparent in the mid-infrared spectral range we have developed a biosensor that can collect information on whole metabolism alterations, rapidly and in situ. Thanks to this sensor it is possible to collect infrared spectra by remote spectroscopy, by simple contact with the sample. In this way, we tried to determine spectral modifications due, on the one hand, to cerebral metabolism alterations caused by a transient focal ischemia in the rat brain and, in the other hand, starvation in the mouse liver. We also applied a microdialysis method, a well known technique for in vivo brain metabolism studies, as reference. In the field of integrated microsensors, reactive ion etching was used to pattern rib waveguides between 2 and 300 μm wide. This technique was used to fabricate Y optical junctions for optical interconnections on chalcogenide amorphous films, which can potentially increase the sensitivity and stability of an optical micro-sensor. The first tests were also carried out to functionalise the Chg planar waveguides with the aim of using them as (biosensors.

  11. Superconducting properties of iron chalcogenide thin films

    Directory of Open Access Journals (Sweden)

    Paolo Mele

    2012-01-01

    Full Text Available Iron chalcogenides, binary FeSe, FeTe and ternary FeTexSe1−x, FeTexS1−x and FeTe:Ox, are the simplest compounds amongst the recently discovered iron-based superconductors. Thin films of iron chalcogenides present many attractive features that are covered in this review, such as: (i easy fabrication and epitaxial growth on common single-crystal substrates; (ii strong enhancement of superconducting transition temperature with respect to the bulk parent compounds (in FeTe0.5Se0.5, zero-resistance transition temperature Tc0bulk = 13.5 K, but Tc0film = 19 K on LaAlO3 substrate; (iii high critical current density (Jc ~ 0.5 ×106 A cm2 at 4.2 K and 0 T for FeTe0.5Se0.5 film deposited on CaF2, and similar values on flexible metallic substrates (Hastelloy tapes buffered by ion-beam assisted deposition with a weak dependence on magnetic field; (iv high upper critical field (~50 T for FeTe0.5Se0.5, Bc2(0, with a low anisotropy, γ ~ 2. These highlights explain why thin films of iron chalcogenides have been widely studied in recent years and are considered as promising materials for applications requiring high magnetic fields (20–50 T and low temperatures (2–10 K.

  12. On the crystal structures of USe2, UTe2, ThOTe, and Er2Se3 - a contribution to the crystal chemistry of rare earth and actinide chalcogenides

    International Nuclear Information System (INIS)

    Dausch, W.M.

    1987-01-01

    The dichalcogenides of rare earth metals and actinides were classified into isostructural compounds without considering their composition. The structures of of α-USe 2 , β-USe 2 , UTe 2 , and HoSe 2 as well as of ThOTe, Er 2 Se 3 , and UTe 3 were determined by X-ray diffraction of their crystals. The results demonstrate that α-USe 2 has a SrBr 2 -analog structure and a stoichiometric composition. The atomic parameters derived from powder data of ThOTe and UTe 2 could be confirmed by X-ray analysis of the crystalline compounds. ThOTe crystallizes into a PbFCl-analog structure. The order of atoms in UTe 2 is similar to that of the ZrSe 3 type. The crystals of ErSe 3 , UTe 3 , HoSe 2 , and β-USe 2 were investigated only by camera methods. As in the case of Er 2 Se 3 or UTe 3 twin formation could be observed in β-USe 3 . (orig./RB) [de

  13. Terahertz-induced Kerr effect in amorphous chalcogenide glasses

    DEFF Research Database (Denmark)

    Zalkovskij, Maksim; Strikwerda, Andrew; Iwaszczuk, Krzysztof

    2013-01-01

    We have investigated the terahertz-induced third-order (Kerr) nonlinear optical properties of the amorphous chalcogenide glasses As2S3 and As2Se3. Chalcogenide glasses are known for their high optical Kerr nonlinearities which can be several hundred times greater than those of fused silica. We use...

  14. The chemistry of copper chalcogenides in waste glasses

    International Nuclear Information System (INIS)

    Schreiber, H.D.; Lambert, H.W.

    1994-01-01

    The solubilities of copper chalcogenides (CuS, CuSe, CuTe) were measured in a glass melt which is representative of those proposed for nuclear waste immobilization and circuit board vitrification. CuTe is more soluble than CuS and CuSe in the glass melt under relatively oxidizing conditions. However, the solubilities of all the copper chalcogenides in the glass melt are virtually identical at reducing conditions, probably a result of the redox-controlled solubility of copper metal in all cases. The redox chemistry of a glass melt coexisting with an immiscible copper chalcogenide depends primarily on the prevailing oxygen fugacity, not on the identity of the chalcogenide. The target concentration of less than 0.3 to 0.5 wt% copper in the waste glass should eliminate the precipitation of copper chalcogenides during processing

  15. Solution synthesis of mixed-metal chalcogenide nanoparticles and spray deposition of precursor films

    Science.gov (United States)

    Schulz, Douglas L.; Curtis, Calvin J.; Ginley, David S.

    2000-01-01

    A colloidal suspension comprising metal chalcogenide nanoparticles and a volatile capping agent. The colloidal suspension is made by reacting a metal salt with a chalcogenide salt in an organic solvent to precipitate a metal chalcogenide, recovering the metal chalcogenide, and admixing the metal chalcogenide with a volatile capping agent. The colloidal suspension is spray deposited onto a substrate to produce a semiconductor precursor film which is substantially free of impurities.

  16. Detection of rare-earth-mineral phases by scanning electron microscopy/energy dispersive x-rays (SEM/EDX) in the alkaline complexes of Tamil Nadu

    International Nuclear Information System (INIS)

    Sengupta, S.K.; Nathan, N.P.; Ganesan, V.; Shome, S.

    2005-01-01

    The alkaline complexes of the Southern Granulite Terrain (SGT) are generally restricted within NNW-SSE-trending Dharmapuri Shear Zone (DSZ), extending from Gudiyatham in the north and Bhavani in the south in Tamil Nadu. REE-rich phases have been studied under EDX (Energy Dispersive X-rays) from the different alkaline suites of Tamil Nadu. In Elagiri, the Th-rich epidote/allanite is concentrically zoned and occurs in the outermost coarse sub-solvus syenite, indicating that the REE concentration is restricted within the late-stage magmatic activity. In Koratti, the apatites are LREE rich. In Samalpatti Complex, the carbonatites host a number of REE-rich minerals commonly classified as betafite, along with nioborutite and nioboilmenite. The niobo-rutile and niobo-ilmenite show exsolved texture. The betafite is zoned with mendelyeerite. Some of the molybdenite in Samalpatti is dendritic indicating incomplete crystallisation. In Sivamalai, the REE phases are generally associated with ferrosyenite and nepheline syenite as adsorbed grains around apatite or carbonate. The REE minerals are Zr-REE titanate, REE-titano silicate and REE-yttrium silicate. In the Pikkili Complex, the REE minerals generally occur as rim around apatite and calcite. A discrete metamict allanite grain with radial cracks occurs within syenite. In Pakkanadu Complex zoned allanite occurs with distinct chemical zonation in syenite. Monazite and celesto-barite are associated with barite suggesting that the REE phases are developed in the late intrusive stage. (author)

  17. Quantum mechanical study of molecular collisions at ultra-low energy: applications to alkali and alkaline-earth systems; Etude quantique de collisions moleculaires a ultra-basse energie: applications aux alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Quemener, G

    2006-10-15

    In order to investigate the collisional processes which occur during the formation of molecular Bose-Einstein condensates, a time-independent quantum mechanical formalism, based on hyperspherical coordinates, has been applied to the study of atom-diatom dynamics at ultra-low energies. We present theoretical results for three alkali systems, each composed of lithium, sodium or potassium atoms, and for an alkaline-earth system composed of calcium atoms. We also study dynamics at large and positive atom-atom scattering length. Evidence for the suppression of inelastic processes in a fermionic system is given, as well as a linear relation between the atom-diatom scattering length and the atom-atom scattering length. (author)

  18. Progress towards marketable earth-abundant chalcogenide solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Todorov, Teodor; Gunawan, Oki; Chey, S Jay; Goislard de Monsabert, Thomas; Prabhakar, Aparna; Mitzi, David B., E-mail: dmitzi@us.ibm.com

    2011-08-31

    Kesterite-related photovoltaic materials are considered a promising alternative to CdTe and Cu(In,Ga)(S,Se){sub 2} absorbers, primarily because they are not reliant on scarce elements such as indium and tellurium or the heavy metal cadmium. Recently, we reported a performance breakthrough for this materials class, reaching by a simple hydrazine-based deposition technique 9.6% power conversion efficiency for Cu{sub 2}ZnSn(S,Se){sub 4} devices (40% improvement over vacuum-based methods). Here, more detailed characterization for a hydrazine-prepared device shows the potential of this technology for further efficiency improvement. We also present initial device results for Cu{sub 2}ZnSn(S,Se){sub 4} films deposited using a mixed water-hydrazine-based solvent, yielding devices with 8.1% efficiency.

  19. High surface area graphene-supported metal chalcogenide assembly

    Science.gov (United States)

    Worsley, Marcus A.; Kuntz, Joshua D.; Orme, Christine A.

    2017-04-25

    Disclosed here is a method for hydrocarbon conversion, comprising contacting at least one graphene-supported assembly with at least one hydrocarbon feedstock, wherein the graphene-supported assembly comprises (i) a three-dimensional network of graphene sheets crosslinked by covalent carbon bonds and (ii) at least one metal chalcogenide compound disposed on the graphene sheets, wherein the chalcogen of the metal chalcogenide compound is selected from S, Se and Te, and wherein the metal chalcogenide compound accounts for at least 20 wt. % of the graphene-supported assembly.

  20. Hybrid polymer photonic crystal fiber with integrated chalcogenide glass nanofilms

    DEFF Research Database (Denmark)

    Markos, Christos; Kubat, Irnis; Bang, Ole

    2014-01-01

    The combination of chalcogenide glasses with polymer photonic crystal fibers (PCFs) is a difficult and challenging task due to their different thermo-mechanical material properties. Here we report the first experimental realization of a hybrid polymer-chalcogenide PCF with integrated As2S3 glass...... nanofilms at the inner surface of the air-channels of a poly-methyl-methacrylate (PMMA) PCF. The integrated high refractive index glass films introduce distinct antiresonant transmission bands in the 480-900 nm wavelength region. We demonstrate that the ultra-high Kerr nonlinearity of the chalcogenide glass...

  1. Effect of alkaline earth oxides on the physical and spectroscopic properties of Dy3+- doped Li2O-B2O3 glasses for white emitting material application

    Science.gov (United States)

    Shamshad, L.; Rooh, G.; Kirdsiri, K.; Srisittipokakun, N.; Damdee, B.; Kim, H. J.; Kaewkhao, J.

    2017-02-01

    Li2O-MO-B2O3:0.5Dy2O3 glasses mixed with four different alkaline earth modifier oxides MgO, CaO, SrO and BaO were synthesized by melt quench technique. Their physical properties like density, molar volume and refractive index were measured at room temperature and the effect of alkaline earth modifier oxides were studied. Also, optical absorption and photoluminescence spectra of these glasses have been acquired at room temperature. The Judd-Ofelt theory was effectively used to characterize these spectra and spectral intensities (ƒcal), Judd-Ofelt intensity parameters (Ω2, Ω4 and Ω6) and certain radiative properties have been determined. Radiative life-times (τR), branching ratios (βcal), and emission cross-sections (σp) and optical gain parameters (σp × τR) were calculated from the Judd-Ofelt intensity parameters and the variation in these parameters with the variation of glass matrix are discussed. Yellow/Blue (Y/B) ratio and chromacity color coordinates (x,y) are calculated from the emission spectra which indicates the white light generation from all the investigated samples. The correlated color temperature (CCT) for the studied glasses is found to be 4418 K. The fluorescence decay time (τexp) of the 4F9/2 level of Dy3+ has been measured from the decay profiles and compared with calculated lifetimes (τcal). Among all the studied glass matrices, the glass containing BaO exhibits high value of branching ratio, large emission cross-section and high optical gain parameter for 6F9/2 → 6H13 at 575 nm. The results indicates the suitability of all the studied glasses for laser action and white light generation.

  2. Uptake of hazardous radionuclides within layered chalcogenide for environmental protection

    Energy Technology Data Exchange (ETDEWEB)

    Sengupta, Pranesh, E-mail: praneshsengupta@gmail.com [Materials Science Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Dudwadkar, N.L. [Fuel Reprocessing Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Vishwanadh, B. [Materials Science Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Pulhani, V. [Health Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Rao, Rekha [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Tripathi, S.C. [Fuel Reprocessing Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Dey, G.K. [Materials Science Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2014-02-15

    Highlights: • Layered chalcogenide with CdI{sub 2} crystal structure prepared by hydrothermal route. • Exploration of the possibilities for radionuclides’ uptake using layered chalcogenide. • Proposing ‘topotactic ionic substitution’ as major uptake mechanism. -- Abstract: Ensuring environmental protection in and around nuclear facilities is a matter of deep concern. Toward this, layered chalcogenide with CdI{sub 2} crystal structure has been prepared. Structural characterizations of layered chalcogenide suggest ‘topotactic ionic substitution’ as the dominant mechanism behind uptake of different cations within its lattice structure. An equilibration time of 45 min and volume to mass ratio of 30:1 are found to absorb {sup 233}U, {sup 239}Pu, {sup 106}Ru, {sup 85+89}Sr, {sup 137}Cs and {sup 241}Am radionuclides to the maximum extents.

  3. Summary of Chalcogenide Glass Processing: Wet-Etching and Photolithography

    Energy Technology Data Exchange (ETDEWEB)

    Riley, Brian J.; Sundaram, S. K.; Johnson, Bradley R.; Saraf, Laxmikant V.

    2006-12-01

    This report describes a study designed to explore the different properties of two different chalcogenide materials, As2S3 and As24S38Se38, when subjected to photolithographic wet-etching techniques. Chalcogenide glasses are made by combining chalcogen elements S, Se, and Te with Group IV and/or V elements. The etchant was selected from the literature and was composed of sodium hydroxide, isopropyl alcohol, and deionized water and the types of chalcogenide glass for study were As2S3 and As24S38Se38. The main goals here were to obtain a single variable etch rate curve of etch depth per time versus NaOH overall solution concentration in M and to see the difference in etch rate between a given etchant when used on the different chalcogenide stoichiometries. Upon completion of these two goals, future studies will begin to explore creating complex, integrated photonic devices via these methods.

  4. Debye temperatures of uranium chalcogenides from their lattice ...

    Indian Academy of Sciences (India)

    Unknown

    From the phonon frequencies, their Debye temperatures are evaluated. Further, ... Keywords. Uranium chalcogenides; p-wave electronic superconductor; phonon frequency; Debye tempera- ture; spin ... to the ionic crystals of similar structure.

  5. Association of alkali and alkaline earth metal cations with radical-anions of 9-fluorenone and 9.10-anthraquinone in dimethyl formamide medium

    International Nuclear Information System (INIS)

    Karpinets, A.P.; Bezuglyj, V.D.; Svetlichnaya, T.M.

    1988-01-01

    The polarographic method is used to estimate the stability of associates formed in dimethyl formamide by the products of one-electron reduction of 9-fluorenone and 9.10-anthraquinone with cations of alkali and alkali earth metals. It is shown that the strength of 9-fluorenone and 9.10-anthraquinone radical anion associates studied increases with cation charge increase and decrease of its crystallographic radius

  6. Tunable electronic and magnetic properties in germanene by alkali, alkaline-earth, group III and 3d transition metal atom adsorption.

    Science.gov (United States)

    Li, Sheng-shi; Zhang, Chang-wen; Ji, Wei-xiao; Li, Feng; Wang, Pei-ji; Hu, Shu-jun; Yan, Shi-shen; Liu, Yu-shen

    2014-08-14

    We performed first-principles calculations to study the adsorption characteristics of alkali, alkali-earth, group III, and 3d transition-metal (TM) adatoms on germanene. We find that the adsorption of alkali or alkali-earth adatoms on germanene has minimal effects on geometry of germanene. The significant charge transfer from alkali adatoms to germanene leads to metallization of germanene, whereas alkali-earth adatom adsorption, whose interaction is a mixture of ionic and covalent, results in semiconducting behavior with an energy gap of 17-29 meV. For group III adatoms, they also bind germanene with mixed covalent and ionic bonding character. Adsorption characteristics of the transition metals (TMs) are rather complicated, though all TM adsorptions on germanene exhibit strong covalent bonding with germanene. The main contributions to the strong bonding are from the hybridization between the TM 3d and Ge pz orbitals. Depending on the induced-TM type, the adsorbed systems can exhibit metallic, half-metallic, or semiconducting behavior. Also, the variation trends of the dipole moment and work function with the adsorption energy across the different adatoms are discussed. These findings may provide a potential avenue to design new germanene-based devices in nanoelectronics.

  7. A systemic study of stepwise chlorination-chemical vapor transport characteristics of pure rare earth oxides from Sc2O3 to Lu2O3 mediated by alkaline chlorides as complex former

    International Nuclear Information System (INIS)

    Sun Yanhui; He Peng; Chen Huani

    2007-01-01

    A systematic study has been carried out for the stepwise chlorination-chemical vapor transport (SC-CVT) characteristics of pure rare earth oxides from Sc 2 O 3 to Lu 2 O 3 mediated by the vapor complexes KLnCl 4 and NaLnCl 4 (Ln = Sc, Y and La-Lu) used NaCl and KCl as complex former, respectively. The results showed that the SC-CVT characteristics are similarly for NaCl and KCl as complex former, the main deposition temperature of the rare earth chlorides LnCl 3 is in the increasing order ScCl 3 3 3 , and then with a systematically decreasing trend from the early lanthanide chlorides to the end one. The results also showed that the total transported amount of the produced chlorides is YCl 3 > ScCl 3 , and they are much higher than that of most lanthanoid chlorides. For lanthanoids, the total transported amount of chloride increases systematically from the early lanthanoid chlorides to the end one except for EuCl 3 and GdCl 3 mediated by KCl and NaCl as complex former, respectively, which showed the divergence effect of Gd in the total transport efficiency. But there are some differences in SC-CVT characteristics of pure rare earth oxide mediated by KCl and NaCl as complex former, that is the main deposition temperature region for the same rare earth element was lower for KCl than that for NaCl as complex former except for LaCl 3 , CeCl 3 , YbCl 3 and LuCl 3 , while the total transport amount of rare earth chloride for KCl as complex former is higher than that for NaCl except for LaCl 3 and EuCl 3 . More over, the discussion was carried out for Sc and Y on the one hand and the lanthanides contain 4f electron as another hand based on the 4f electron hybridization assumption. Further more, the transport characteristics of rare earth oxides with alkaline chlorides as complex former in this study were compared to that with AlCl 3 as complex former

  8. Transuranium element chalcogenides. Crystallochemistry and Moessbauer spectrometry of neptunium 237 chalcogenides

    International Nuclear Information System (INIS)

    Thevenin, T.; Pages, M.; Damien, D.

    1981-09-01

    To study actinide compounds , neptunium 237 has been studied by Moessbauer resonance. The different oxidation degrees of neptunium (7, 6, 5, 4 and 3) have a very important effect on isomeric displacements. In the study of chalcogenides, the isomeric displacement value of NpS 3 confirms the valency 4+ of neptunium in this compound. Results obtained with Np 3 S 5 show two valency state +3 and +4 in this compound. There is a good agreement with the two crystalline sites determined by crystallography [fr

  9. Alkaline sorbent injection for mercury control

    Science.gov (United States)

    Madden, Deborah A.; Holmes, Michael J.

    2002-01-01

    A mercury removal system for removing mercury from combustion flue gases is provided in which alkaline sorbents at generally extremely low stoichiometric molar ratios of alkaline earth or an alkali metal to sulfur of less than 1.0 are injected into a power plant system at one or more locations to remove at least between about 40% and 60% of the mercury content from combustion flue gases. Small amounts of alkaline sorbents are injected into the flue gas stream at a relatively low rate. A particulate filter is used to remove mercury-containing particles downstream of each injection point used in the power plant system.

  10. Pressure dependence of crystal field splitting in Pr pnictides and chalcogenides

    International Nuclear Information System (INIS)

    Schirber, J.E.; Weaver, H.T.; Ginley, D.S.

    1978-01-01

    We have measured the pressure dependence of the Pr nuclear magnetic resonance shift in PrN, PrP, PrSb, PrAs, PrS and PrSe. The shifts in all the pnictides increase while in the chalcogenides the shifts decrease with pressure. The rare earth frequency shift is inversely proportional to the crystal field splitting in the context of the point charge model (PCM) so a decrease would be expected for all of these materials at a rate of 5/3 the volume compressibility. Our values for the pnictides tend to be considerably larger than the PCM value as well as the wrong sign. The chalcogenide values are much nearer in magnitude and are of the right sign for the PCM. Contrary to the report of Guertin et al. we see no anomaly in the pressure dependence of the susceptibility of PrS. The fact that PrN which is reported to be non-metallic also shows the wrong sign for the PCM presents difficulties for various conduction electron explanations for this unexpected behavior of the pnictides

  11. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    Science.gov (United States)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  12. High hydrogen loading of thin palladium wires through alkaline earth carbonates' precipitation on the cathodic surface - evidence of a new phase in the Pd-H system

    Energy Technology Data Exchange (ETDEWEB)

    Celani, F.; Spallone, A.; Di Gioacchino, D. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati, RM (Italy); Marini, P.; Di Stefano, V.; Nakamura, M. [EURESYS, Rome (Italy); Pace, S. [Salerno Univ., Salerno (Italy). Dept. of Physics, Istituto Nazionale per la Fisica della Materia; Mancini, A. [ORIM S.r.l., Piediripa, MC (Italy); Tripodi, P. [Stanford Research Institut International, Stanford, CA (United States)

    2000-07-01

    A new protocol for the electrolytic loading of hydrogen (H) in thin palladium (Pd) wires has been developed. In order to increase the cathodic overvoltage, which is known to be the main parameter capable to enhance the electrolytic H loading of Pd, the catalytic action of the Pd surface versus H-H recombination has been strongly reduced by precipitation of a thin layer of alkaline-earth carbonates on the cathode. A set of electrolytes has been employed, containing small amounts of hydrochloric or sulfuric acid and strontium or calcium ions. The H loading has been continuously evaluated through ac measurements of the Pd wire resistance. Uncommonly low resistivity values, leading to an estimate of exceptionally high H loading, have been observed. Evidence of the existence of a new phase in the very high H content region of the Pd-H system has been inferred on the basis of the determination of the temperature coefficient of the electrical resistivity. Mainly for this purpose a thin layer of Hg was galvanically deposed on the cathodic surface, in order to prevent any H deloading during the measurements. The results have been fully reproduced in other 2 well equipped and experienced Laboratories (Italy, USA).

  13. Effect of high-energy electron irradiation in an electron microscope column on fluorides of alkaline earth elements (CaF2, SrF2, and BaF2)

    International Nuclear Information System (INIS)

    Nikolaichik, V. I.; Sobolev, B. P.; Zaporozhets, M. A.; Avilov, A. S.

    2012-01-01

    The effect of high-energy (150 eV) electron irradiation in an electron microscope column on crystals of fluorides of alkaline earth elements CaF 2 , SrF 2 , and BaF 2 is studied. During structural investigations by electron diffraction and electron microscopy, the electron irradiation causes chemical changes in MF 2 crystals such as the desorption of fluorine and the accumulation of oxygen in the irradiated area with the formation of oxide MO. The fluorine desorption rate increases significantly when the electron-beam density exceeds the threshold value of ∼2 × 10 3 pA/cm 2 ). In BaF 2 samples, the transformation of BaO into Ba(OH) 2 was observed when irradiation stopped. The renewal of irradiation is accompanied by the inverse transformation of Ba(OH) 2 into BaO. In the initial stage of irradiation of all MF 2 compounds, the oxide phase is in the single-crystal state with a lattice highly matched with the MF 2 matrix. When the irradiation dose is increased, the oxide phase passes to the polycrystalline phase. Gaseous products of MF 2 destruction (in the form of bubbles several nanometers in diameter) form a rectangular array with a period of ∼20 nm in the sample.

  14. Alkaline earth metal, silicon, chlorine, hydrogen. A reaction system for the heterogeneous hydrodehalogenation of silicon tetrachloride to nanocrystalline silicon; Erdalkalimetall-Silicium-Chlor-Wasserstoff. Das Reaktionssystem fuer die heterogene Hydrodehalogenierung von Siliciumtetrachlorid bis zum nanokristallinen Silicium

    Energy Technology Data Exchange (ETDEWEB)

    Fiedler, Katja

    2012-02-17

    Reactions of an alkaline earth metal with a SiCl{sub 4}-H{sub 2} result in a quaternary system with a metastable quaternary phase which separates into the metal chloride and nanocrystalline silicon upon cooling. The present study was dedicated to a making a detailed characterisation of the quaternary phase. For this purpose the properties of the quaternary system were derived from those of the six binary and four ternary systems. The first ever characterisation of the surface by means of photoelectron spectroscopy was undertaken. It also proved possible for the first time to follow the formation reaction by measuring the potential difference across the reaction system. Using the results of the characterisation the author presents first steps towards identifying the formation mechanism involved. [German] Im quaternaeren System Erdalkalimetall-Silicium-Chlor-Wasserstoff bildet sich bei der Umsetzung des Metalls mit einer SiCl{sub 4}-H{sub 2}-Atmosphaere eine quaternaere Phase. Diese metastabile Phase zerfaellt beim Abkuehlen in das Metallchlorid und Silicium in nanokristalliner Form. Die vorliegende Arbeit hat sich mit der tiefergehenden Charakterisierung der quaternaeren Phase beschaeftigt. Dazu wurden die Eigenschaften des quaternaeren Systems aus den Eigenschaften der sechs binaeren und vier ternaeren Systemen abgeleitet. Die Oberflaeche wurde erstmals mit Photoelektronenspektroskopie charakterisiert. Zusaetzlich gelang erstmalig die Verfolgung der Bildungsreaktion durch Messung des Spannungsabfalls ueber das Reaktionssystem. Erste Ansaetze zur Aufklaerung des Bildungsmechanismus ausgehend von den Ergebnissen der Charakterisierung wurden zusaetzlich aufgezeigt.

  15. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

    Science.gov (United States)

    Hill, J Grant; Peterson, Kirk A

    2017-12-28

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  16. Study of conformational and acid-base properties of norbadione A and pulvinic derivatives: Consequences on their complexation properties of alkaline and alkaline earth cations; Etude des proprietes conformationnelles et acido-basiques de la norbadione A et de derives pulviniques: consequences sur leurs proprietes complexantes de cations alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Kuad, P

    2006-01-15

    This work deals with the study of norbadione A, a pigment extracted from mushrooms and known to complex cesium cations. The study of the acid-base properties of norbadione A has allowed to determine the relative acidity of the seven protonable functions of the molecule and to reveal a reversible isomerization of the double exocyclic bond of the pulvinic moieties. The observed change of configuration is induced by a hydrogen bond of the H-O-H type and by electrostatic interactions. Moreover, the microscopic protonation mechanism of the norbadione A has been analyzed, considering three different study media where the acid-base properties of the norbadione A are compared. In the presence of 0.15 mol.l{sup -1} of NaCl, it has been observed a remarkable cooperativity in the protonation of the enol groups. At last, the use of different analytical methods (NMR, potentiometry and calorimetry) has allowed to study the complexing properties of the norbadione A towards cesium and other alkaline and rare earth cations. (O.M.)

  17. Chalcogenide glass-on-graphene photonics

    Science.gov (United States)

    Lin, Hongtao; Song, Yi; Huang, Yizhong; Kita, Derek; Deckoff-Jones, Skylar; Wang, Kaiqi; Li, Lan; Li, Junying; Zheng, Hanyu; Luo, Zhengqian; Wang, Haozhe; Novak, Spencer; Yadav, Anupama; Huang, Chung-Che; Shiue, Ren-Jye; Englund, Dirk; Gu, Tian; Hewak, Daniel; Richardson, Kathleen; Kong, Jing; Hu, Juejun

    2017-12-01

    Two-dimensional (2D) materials are of tremendous interest to integrated photonics, given their singular optical characteristics spanning light emission, modulation, saturable absorption and nonlinear optics. To harness their optical properties, these atomically thin materials are usually attached onto prefabricated devices via a transfer process. Here, we present a new route for 2D material integration with planar photonics. Central to this approach is the use of chalcogenide glass, a multifunctional material that can be directly deposited and patterned on a wide variety of 2D materials and can simultaneously function as the light-guiding medium, a gate dielectric and a passivation layer for 2D materials. Besides achieving improved fabrication yield and throughput compared with the traditional transfer process, our technique also enables unconventional multilayer device geometries optimally designed for enhancing light-matter interactions in the 2D layers. Capitalizing on this facile integration method, we demonstrate a series of high-performance glass-on-graphene devices including ultra-broadband on-chip polarizers, energy-efficient thermo-optic switches, as well as graphene-based mid-infrared waveguide-integrated photodetectors and modulators.

  18. Recent Progress In Infrared Chalcogenide Glass Fibers

    Science.gov (United States)

    Bornstein, A.; Croitoru, N.; Marom, E.

    1984-10-01

    Chalcogenide glasses containing elements like As, Ge, Sb and Se have been prepared. A new technique of preparing the raw material and subsequently drawing fibers has been devel-oped in order to avoid the forming of oxygen compounds. The fibers have been drawn by cru-cible and rod method from oxygen free raw material inside an Ar atmosphere glove box. The fibers drawn to date with air and glass cladding have a diameter of 50-500 pm and length of several meterd. Preliminary attenuation measurements indicate that the attentuation is better than 0.1 dB/cm and it is not affected even when the fiber is bent to 2 cm circular radius. The fibes were testes a CO laser beam and were not damaged at power densities below 10 kW/2cm2 CW &100 kw/cm using short pulses 75 n sec. The transmitted power density was 0.8 kW/cm2 which is an appropriate value to the needed for cutting and ablation of human tissues.

  19. Solvent properties of hydrazine in the preparation of metal chalcogenide bulk materials and films.

    Science.gov (United States)

    Yuan, Min; Mitzi, David B

    2009-08-21

    A combination of unique solvent properties of hydrazine enables the direct dissolution of a range of metal chalcogenides at ambient temperature, rendering this an extraordinarily simple and soft synthetic approach to prepare new metal chalcogenide-based materials. The extended metal chalcogenide parent framework is broken up during this process, and the resulting metal chalcogenide building units are re-organized into network structures (from 0D to 3D) based upon their interactions with the hydrazine/hydrazinium moieties. This Perspective will review recent crystal and materials chemistry developments within this family of compounds and will briefly discuss the utility of this approach in metal chalcogenide thin-film deposition.

  20. Nonlinear optical localization in embedded chalcogenide waveguide arrays

    International Nuclear Information System (INIS)

    Li, Mingshan; Huang, Sheng; Wang, Qingqing; Chen, Kevin P.; Petek, Hrvoje

    2014-01-01

    We report the nonlinear optical localization in an embedded waveguide array fabricated in chalcogenide glass. The array, which consists of seven waveguides with circularly symmetric cross sections, is realized by ultrafast laser writing. Light propagation in the chalcogenide waveguide array is studied with near infrared laser pulses centered at 1040 nm. The peak intensity required for nonlinear localization for the 1-cm long waveguide array was 35.1 GW/cm 2 , using 10-nJ pulses with 300-fs pulse width, which is 70 times lower than that reported in fused silica waveguide arrays and with over 7 times shorter interaction distance. Results reported in this paper demonstrated that ultrafast laser writing is a viable tool to produce 3D all-optical switching waveguide circuits in chalcogenide glass

  1. Index change of chalcogenide materials from precision glass molding processes

    Science.gov (United States)

    Deegan, J.; Walsh, K.; Lindberg, G.; Benson, R.; Gibson, D.; Bayya, S.; Sanghera, J.; Stover, E.

    2015-05-01

    With the increase in demand for infrared optics for thermal applications and the use of glass molding of chalcogenide materials to support these higher volume optical designs, an investigation of changes to the optical properties of these materials is required. Typical precision glass molding requires specific thermal conditions for proper lens molding of any type of optical glass. With these conditions a change (reduction) of optical index occurs after molding of all oxide glass types and it is presumed that a similar behavior will happen with chalcogenide based materials. We will discuss the effects of a typical molding thermal cycle for use with commercially and newly developed chalcogenide materials and show results of index variation from nominally established material data.

  2. Modeling of Mid-IR Amplifier Based on an Erbium-Doped Chalcogenide Microsphere

    Directory of Open Access Journals (Sweden)

    P. Bia

    2012-01-01

    Full Text Available An optical amplifier based on a tapered fiber and an Er3+-doped chalcogenide microsphere is designed and optimized. A dedicated 3D numerical model, which exploits the coupled mode theory and the rate equations, is used. The main transitions among the erbium energy levels, the amplified spontaneous emission, and the most important secondary transitions pertaining to the ion-ion interactions have been considered. Both the pump and signal beams are efficiently injected and obtained by a suitable design of the taper angle and the fiber-microsphere gap. Moreover, a good overlapping between the optical signals and the rare-earth-doped region is also obtained. In order to evaluate the amplifier performance in reduced computational time, the doped area is partitioned in sectors. The obtained simulation results highlight that a high-efficiency midinfrared amplification can be obtained by using a quite small microsphere.

  3. A library of atomically thin metal chalcogenides.

    Science.gov (United States)

    Zhou, Jiadong; Lin, Junhao; Huang, Xiangwei; Zhou, Yao; Chen, Yu; Xia, Juan; Wang, Hong; Xie, Yu; Yu, Huimei; Lei, Jincheng; Wu, Di; Liu, Fucai; Fu, Qundong; Zeng, Qingsheng; Hsu, Chuang-Han; Yang, Changli; Lu, Li; Yu, Ting; Shen, Zexiang; Lin, Hsin; Yakobson, Boris I; Liu, Qian; Suenaga, Kazu; Liu, Guangtong; Liu, Zheng

    2018-04-01

    Investigations of two-dimensional transition-metal chalcogenides (TMCs) have recently revealed interesting physical phenomena, including the quantum spin Hall effect 1,2 , valley polarization 3,4 and two-dimensional superconductivity 5 , suggesting potential applications for functional devices 6-10 . However, of the numerous compounds available, only a handful, such as Mo- and W-based TMCs, have been synthesized, typically via sulfurization 11-15 , selenization 16,17 and tellurization 18 of metals and metal compounds. Many TMCs are difficult to produce because of the high melting points of their metal and metal oxide precursors. Molten-salt-assisted methods have been used to produce ceramic powders at relatively low temperature 19 and this approach 20 was recently employed to facilitate the growth of monolayer WS 2 and WSe 2 . Here we demonstrate that molten-salt-assisted chemical vapour deposition can be broadly applied for the synthesis of a wide variety of two-dimensional (atomically thin) TMCs. We synthesized 47 compounds, including 32 binary compounds (based on the transition metals Ti, Zr, Hf, V, Nb, Ta, Mo, W, Re, Pt, Pd and Fe), 13 alloys (including 11 ternary, one quaternary and one quinary), and two heterostructured compounds. We elaborate how the salt decreases the melting point of the reactants and facilitates the formation of intermediate products, increasing the overall reaction rate. Most of the synthesized materials in our library are useful, as supported by evidence of superconductivity in our monolayer NbSe 2 and MoTe 2 samples 21,22 and of high mobilities in MoS 2 and ReS 2 . Although the quality of some of the materials still requires development, our work opens up opportunities for studying the properties and potential application of a wide variety of two-dimensional TMCs.

  4. Li2Sr4B12O23: A new alkali and alkaline-earth metal mixed borate with [B10O18]6− network and isolated [B2O5]4− unit

    International Nuclear Information System (INIS)

    Zhang Min; Pan Shilie; Han Jian; Yang Zhihua; Su Xin; Zhao Wenwu

    2012-01-01

    A novel ternary lithium strontium borate Li 2 Sr 4 B 12 O 23 crystal with size up to 20 mm×10 mm×4 mm has been grown via the top-seeded solution growth method below 730 °C. Single-crystal XRD analyses showed that Li 2 Sr 4 B 12 O 23 crystallizes in the monoclinic space group P2 1 /c with a=6.4664(4) Å, b=8.4878(4) Å, c=15.3337(8) Å, β=102.02(3)°, Z=2. The crystal structure is composed of [B 10 O 18 ] 6− network and isolated [B 2 O 5 ] 4− unit. The IR spectrum further confirmed the presence of both BO 3 and BO 4 groups. TG-DSC and Transmission spectrum were reported. Band structures and density of states were calculated. - Graphical abstract: A new phase, Li 2 Sr 4 B 12 O 23 , has been discovered in the ternary M 2 O–M′O–B 2 O 3 (M=alkali-metal, M′=alkalineearth metal) system. The crystal structure consists of [B 10 O 18 ] 6− network and isolated [B 2 O 5 ] 4− unit. Highlights: ► Li 2 Sr 4 B 12 O 23 is a a novel borate discovered in the M 2 O–M′O–B 2 O 3 (M=alkali-metal, M′=alkaline-earth metal) system. ► Li 2 Sr 4 B 12 O 23 crystal structure has a three-dimensional crystal structure with [B 10 O 18 ] 6− network and isolated [B 2 O 5 ] 4− unit. ► Sr 1 and Sr 2 are located in two different channels constructed by 3 ∞ [B 10 O 18 ] network.

  5. Analogy of the Coordination Chemistry of Alkaline Earth Metal and Lanthanide Ln²⁺ Ions: The Isostructural Zoo of Mixed Metal Cages [IM(OtBu)₄{Li(thf)}₄(OH)] (M=Ca, Sr, Ba, Eu), [MM′₆(OPh)₈(thf)₆] (M=Ca, Sr, Ba, Sm, Eu, M′=Li, Na), and their Derivatives with 1,2-Dimethoxyethane

    OpenAIRE

    Maudez, William; Meuwly, Markus; Fromm, Katharina M.

    2008-01-01

    As previously shown, alkali and alkaline earth metal iodides in nonaqueous, aprotic solvents behave like transition metal halides, forming cis- and trans-dihalides with various neutral O-donor ligands. These compounds can be used as precursors for the synthesis of new mixed alkali/alkaline earth metal aggregates. We show here that Ln²⁺ ions form isostructural cluster compounds. Thus, with LiOtBu, 50 % of the initial iodide can be replaced in MI₂, M=Ca, Sr, Ba, Eu, to generate the mixed-metal ...

  6. Electrical conduction mechanism in GeSeSb chalcogenide glasses

    Indian Academy of Sciences (India)

    by melt quenching has been determined at different temperatures in bulk through the I–V characteristic curves ... DC conductivity; chalcogenide glass; Sb–Se bonding; Poole–Frenkel mechanism .... measurements were taken at room temperature as well as ele- .... age across the sample was continuued, the induced thermal.

  7. On the instability effects in radiation-sensitive chalcogenide glasses

    International Nuclear Information System (INIS)

    Balitska, V.; Kovalskiy, A.; Shpotyuk, O.; Vakiv, M.

    2007-01-01

    The features of application of radiation-sensitive media based on chalcogenide glasses of As-Ge-S system for registration of high-energy γ-radiation are analysed. It is shown that compositional features of the observed time-instability effect should be taken into account in order to ensure a higher accuracy of the developed dosimeters

  8. On the instability effects in radiation-sensitive chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Balitska, V. [Lviv State University for Vital Activity Safety, 35 Kleparivska str., Lviv, UA-79007 (Ukraine); Lviv Institute of Materials of SRC ' Carat' , 202 Stryjska str., Lviv, UA-79031 (Ukraine); Kovalskiy, A. [Lviv Institute of Materials of SRC ' Carat' , 202 Stryjska str., Lviv, UA-79031 (Ukraine); International Materials Institute for New Functionality in Glass, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Shpotyuk, O. [Lviv Institute of Materials of SRC ' Carat' , 202 Stryjska str., Lviv, UA-79031 (Ukraine); International Materials Institute for New Functionality in Glass, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States)], E-mail: shpotyuk@novas.lviv.ua; Vakiv, M. [Lviv Institute of Materials of SRC ' Carat' , 202 Stryjska str., Lviv, UA-79031 (Ukraine)

    2007-04-15

    The features of application of radiation-sensitive media based on chalcogenide glasses of As-Ge-S system for registration of high-energy {gamma}-radiation are analysed. It is shown that compositional features of the observed time-instability effect should be taken into account in order to ensure a higher accuracy of the developed dosimeters.

  9. Conductivity in Ag-As-S(Se,Te) chalcogenide glasses

    Czech Academy of Sciences Publication Activity Database

    Stehlík, Š.; Kolář, J.; Bartoš, M.; Vlček, Milan; Frumar, M.; Zima, Vítězslav; Wágner, T.

    2010-01-01

    Roč. 181, 37/38 (2010), s. 1625-1630 ISSN 0167-2738 Institutional research plan: CEZ:AV0Z40500505 Keywords : chalcogenide glasses * ionics conductivity * phase separation Subject RIV: CA - Inorganic Chemistry Impact factor: 2.496, year: 2010

  10. Debye temperatures of uranium chalcogenides from their lattice ...

    Indian Academy of Sciences (India)

    Phonon dispersion relations in uranium chalcogenides have been investigated using a modified three-body force shell model. From the phonon frequencies, their Debye temperatures are evaluated. Further, on the basis of the spin fluctuation in the heavy fermion uranium compounds, UPt3 and UBe13, the possible ...

  11. 1D - photonic crystals prepared from the amorphous chalcogenide films

    Czech Academy of Sciences Publication Activity Database

    Kohoutek, T.; Orava, J.; Wágner, T.; Hrdlička, M.; Vlček, Milan; Frumar, M.

    2009-01-01

    Roč. 20, - (2009), S346-S350 ISSN 0957-4522. [International Conference of Optical and Optoelectronic Materials and Applications. London, 29.07.2007-03.08.2007] Institutional research plan: CEZ:AV0Z40500505 Keywords : chalcogenide thin films Subject RIV: CA - Inorganic Chemistry Impact factor: 1.020, year: 2009

  12. Ultrafast Laser Fabrication of Bragg Waveguides in GLS Chalcogenide Glass

    Directory of Open Access Journals (Sweden)

    McMillen Ben

    2013-11-01

    Full Text Available We present work on the fabrication of Bragg waveguides in gallium-lanthanum-sulfide chalcogenide glass using an ultrafast laser. Waveguides were written with a single pass while modulating the writing beam. The spatial and temporal profile of the writing beam was ontrolled during waveguide fabrication in order to control the shape and size of the waveguide cross-section.

  13. Alkaline earth stannates: The next silicon?

    Energy Technology Data Exchange (ETDEWEB)

    Ismail-Beigi, Sohrab, E-mail: sohrab.ismail-beigi@yale.edu; Ahn, Charles H. [Department of Applied Physics, Yale University, New Haven, Connecticut 06520 (United States); Department of Physics, Yale University, New Haven, Connecticut 06520 (United States); Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06520 (United States); Center for Research on Interface Structure and Phenomena, Yale University, New Haven, Connecticut 06520 (United States); Walker, Frederick J. [Department of Applied Physics, Yale University, New Haven, Connecticut 06520 (United States); Center for Research on Interface Structure and Phenomena, Yale University, New Haven, Connecticut 06520 (United States); Cheong, Sang-Wook [Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854 (United States); Rutgers Center for Emergent Materials, Rutgers University, Piscataway, New Jersey 08854 (United States); Rabe, Karin M. [Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854 (United States)

    2015-06-01

    Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices.

  14. Alkaline earth stannates: The next silicon?

    Directory of Open Access Journals (Sweden)

    Sohrab Ismail-Beigi

    2015-06-01

    Full Text Available Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices.

  15. Magnetic excitations in iron chalcogenide superconductors.

    Science.gov (United States)

    Kotegawa, Hisashi; Fujita, Masaki

    2012-10-01

    Nuclear magnetic resonance and neutron scattering experiments in iron chalcogenide superconductors are reviewed to make a survey of the magnetic excitations in FeSe, FeSe 1- x Te x and alkali-metal-doped A x Fe 2- y Se 2 ( A = K, Rb, Cs, etc). In FeSe, the intimate relationship between the spin fluctuations and superconductivity can be seen universally for the variations in the off-stoichiometry, the Co-substitution and applied pressure. The isovalent compound FeTe has a magnetic ordering with different wave vector from that of other Fe-based magnetic materials. The transition temperature T c of FeSe increases with Te substitution in FeSe 1- x Te x with small x , and decreases in the vicinity of the end member FeTe. The spin fluctuations are drastically modified by the Te substitution. In the vicinity of the end member FeTe, the low-energy part of the spin fluctuation is dominated by the wave vector of the ordered phase of FeTe; however, the reduction of T c shows that it does not support superconductivity. The presence of same wave vector as that of other Fe-based superconductors in FeSe 1- x Te x and the observation of the resonance mode demonstrate that FeSe 1- x Te x belongs to the same group as most of other Fe-based superconductors in the entire range of x , where superconductivity is mediated by the spin fluctuations whose wave vector is the same as the nesting vector between the hole pockets and the electron pockets. On the other hand, the spin fluctuations differ for alkali-metal-doped A x Fe 2- y Se 2 and FeSe or other Fe-based superconductors in their wave vector and strength in the low-energy part, most likely because of the different Fermi surfaces. The resonance mode with different wave vector suggests that A x Fe 2- y Se 2 has an exceptional superconducting symmetry among Fe-based superconductors.

  16. Rare earth sulfates

    International Nuclear Information System (INIS)

    Komissarova, L.N.; Shatskij, V.M.; Pokrovskij, A.N.; Chizhov, S.M.; Bal'kina, T.I.; Suponitskij, Yu.L.

    1986-01-01

    Results of experimental works on the study of synthesis conditions, structure and physico-chemical properties of rare earth, scandium and yttrium sulfates, have been generalized. Phase diagrams of solubility and fusibility, thermodynamic and crystallochemical characteristics, thermal stability of hydrates and anhydrous sulfates of rare earths, including normal, double (with cations of alkali and alkaline-earth metals), ternary and anion-mixed sulfates of rare earths, as well as their adducts, are considered. The state of ions of rare earths, scandium and yttrium in aqueous sulfuric acid solutions is discussed. Data on the use of rare earth sulfates are given

  17. Breakthrough switching speed with an all-optical chalcogenide glass chip: 640 Gbit/s demultiplexing

    DEFF Research Database (Denmark)

    Galili, Michael; Xu, Jing; Mulvad, Hans Christian Hansen

    2009-01-01

    We report the first demonstration of error-free 640 Gbit/s demultiplexing using the Kerr non-linearity of an only 5 cm long chalcogenide glass waveguide chip. Our approach exploits four-wave mixing by the instantaneous nonlinear response of chalcogenide. Excellent performance is achieved with onl...... 2 dB average power penalty and no indication of error-floor. Characterisation of the FWM efficiency for the chalcogenide waveguide is given and confirms the good performance of the device....

  18. Crystal structures and thermal decomposition of permanganates AE[MnO_4]_2 . n H_2O with the heavy alkaline earth elements (AE=Ca, Sr and Ba)

    International Nuclear Information System (INIS)

    Henning, Harald; Bauchert, Joerg M.; Conrad, Maurice; Schleid, Thomas

    2017-01-01

    Reexamination of the syntheses and crystal structures as well as studies of the thermal decomposition of the heavy alkaline earth metal permanganates Ca[MnO_4]_2 . 4 H_2O, Sr[MnO_4]_2 . 3 H_2O and Ba[MnO_4]_2 are the focus of this work. As an alternative to the very inelegant Muthmann method, established for the synthesis of Ba[MnO_4]_2 a long time ago, we employed a cation-exchange column loaded with Ba"2"+ cations and passed through an aqueous potassium-permanganate solution. We later used this alternative also with strontium- and calcium-loaded columns and all the compounds synthesized this way were indistinguishable from the products of the established methods. Ca[MnO_4]_2 . 4 H_2O exhibiting [CaO_8] polyhedra crystallizes in the orthorhombic space group Pccn with the lattice parameters a=1397.15(9), b=554.06(4) and c=1338.97(9) pm with Z=4, whereas Sr[MnO_4]_2 . 3 H_2O with [SrO_1_0] polyhedra adopts the cubic space group P2_13 with a=964.19(7) pm and Z=4. So the harder the AE"2"+ cation, the higher its demand for hydration in aqueous solution. Consequently, the crystal structure of Ba[MnO_4]_2 in the orthorhombic space group Fddd with a=742.36(5), b=1191.23(7) and c=1477.14(9) pm with Z=8 lacks any crystal water, but contains [BaO_1_2] polyhedra. During the thermal decomposition of Ca[MnO_4]_2 . 4 H_2O, the compound expels up to two water molecules of hydration, before the crystal structure collapses after the loss of the third H_2O molecule at 157 C. The crystal structure of Sr[MnO_4]_2 . 3 H_2O breaks down after the expulsion of the third water molecule as well, but this already occurs at 148 C. For both the calcium and the strontium permanganate samples, orthobixbyite-type α-Mn_2O_3 and the oxomanganates(III,IV) AEMn_3O_6 (AE=Ca and Sr) remain as final decomposition products at 800 C next to amorphous phases. On the other hand, the already anhydrous Ba[MnO_4]_2 thermally decomposes to hollandite-type BaMn_8O_1_6 and BaMnO_3 at 800 C.

  19. Chemical composition of modern and fossil hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation – Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Directory of Open Access Journals (Sweden)

    I. Ssemmanda

    2012-11-01

    Full Text Available This study demonstrates that alkaline earth elements in enamel of hippopotamids, in particular Ba and Sr, are tracers for water provenance and hydrochemistry in terrestrial settings. The studied specimens are permanent premolar and molar teeth found in modern and fossil lacustrine sediments of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi and from modern fluvial environments of the Nile River. Concentrations in enamel vary by two orders of magnitude for Ba (120–9336 μg g−1 as well as for Sr (9–2150 μg g−1. The variations are partially induced during post-mortem alteration and during amelogenesis, but the major contribution originates ultimately from the variable water chemistry in the habitats of the hippopotamids which is controlled by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of MgO, Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel–dentin junction by a factor of 1.3–1.9. These elements are well correlated in single specimens, thus suggesting that their distribution is determined by a common, single process, which can be described by closed system Rayleigh crystallization of bioapatite in vivo. Enamel from most hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores. However, Ba/Sr ranges from 0.1 to 3 and varies on spatial and temporal scales. Thus, Sr concentrations and Ba/Sr in enamel differentiate between habitats having basaltic mantle rocks or Archean crustal rocks as the ultimate sources of Sr and Ba. This provenance signal is modulated by climate change. In Miocene to Pleistocene enamel from the Lake Albert region, Ba/Sr decreases systematically with time from 2 to 0.5. This trend can be correlated with changes in climate from humid to arid, in vegetation from C3 to C4 biomass as well as with increasing

  20. Revisiting isoreticular MOFs of alkaline earth metals: a comprehensive study on phase stability, electronic structure, chemical bonding, and optical properties of A-IRMOF-1 (A = Be, Mg, Ca, Sr, Ba).

    Science.gov (United States)

    Yang, Li-Ming; Vajeeston, Ponniah; Ravindran, Ponniah; Fjellvåg, Helmer; Tilset, Mats

    2011-06-07

    Formation energies, chemical bonding, electronic structure, and optical properties of metal-organic frameworks of alkaline earth metals, A-IRMOF-1 (where A = Be, Mg, Ca, Sr, or Ba), have been systemically investigated with DFT methods. The unit cell volumes and atomic positions were fully optimized with the Perdew-Burke-Ernzerhof functional. By fitting the E-V data into the Murnaghan, Birch and Universal equation of states (UEOS), the bulk modulus and its pressure derivative were estimated and provided almost identical results. The data indicate that the A-IRMOF-1 series are soft materials. The estimated bandgap values are all ca. 3.5 eV, indicating a nonmetallic behavior which is essentially metal independent within this A-IRMOF-1 series. The calculated formation energies for the A-IRMOF-1 series are -61.69 (Be), -62.53 (Mg), -66.56 (Ca), -65.34 (Sr), and -64.12 (Ba) kJ mol(-1) and are substantially more negative than that of Zn-based IRMOF-1 (MOF-5) at -46.02 kJ mol(-1). From the thermodynamic point of view, the A-IRMOF-1 compounds are therefore even more stable than the well-known MOF-5. The linear optical properties of the A-IRMOF-1 series were systematically investigated. The detailed analysis of chemical bonding in the A-IRMOF-1 series reveals the nature of the A-O, O-C, H-C, and C-C bonds, i.e., A-O is a mainly ionic interaction with a metal dependent degree of covalency. The O-C, H-C, and C-C bonding interactions are as anticipated mainly covalent in character. Furthermore it is found that the geometry and electronic structures of the presently considered MOFs are not very sensitive to the k-point mesh involved in the calculations. Importantly, this suggests that sampling with Γ-point only will give reliable structural properties for MOFs. Thus, computational simulations should be readily extended to even more complicated MOF systems.

  1. The structural heterogeneity and optical properties in chalcogenide glass films

    International Nuclear Information System (INIS)

    Shurgalin, Max; Fuflyigin, Vladimir N; Anderson, Emilia G

    2005-01-01

    The microscopic structure and optical properties of glassy films prepared by vapour phase deposition process from the germanium-arsenic-selenium family of chalcogenide glasses have been studied. A number of different molecular clusters or domains that can exist in the glass structure are found to play a significant role in determining the absorption characteristics and refractive index of the glass films. Modifications of the glass structure can be described by a variation of relative concentrations of the clusters and can be effected by modifications of film chemical composition and deposition conditions. Changes in absorption spectra are directly correlated with variation in relative concentrations of the structural fragments with different electronic bandgap properties. Experimental results suggest structural heterogeneity and support validity of the cluster structural model for the chalcogenide glasses

  2. Synthesis of cadmium chalcogenide nanotubes at room temperature

    KAUST Repository

    Pan, Jun

    2012-10-01

    Cadmium chalcogenide (CdE, E=S, Se, Te) polycrystalline nanotubes have been synthesized from precursor of CdS/cadmium thiolate complex at room temperature. The precursor was hydrothermally synthesized at 180 °C using thioglycolic acid (TGA) and cadmium acetate as starting materials. The transformation from the rod-like precursor of CdS/cadmium thiolate complex to CdS, CdSe and CdTe nanotubes were performed under constant stirring at room temperature in aqueous solution containing S 2-, Se 2- and Te 2-, respectively. The nanotube diameter can be controlled from 150 to 400 nm related to the dimension of templates. The XRD patterns show the cadmium chalcogenide nanotubes all corresponding to face-centered cubic structure. © 2012 Elsevier B.V. All rights reserved.

  3. Synthesis of cadmium chalcogenide nanotubes at room temperature

    KAUST Repository

    Pan, Jun; Qian, Yitai

    2012-01-01

    Cadmium chalcogenide (CdE, E=S, Se, Te) polycrystalline nanotubes have been synthesized from precursor of CdS/cadmium thiolate complex at room temperature. The precursor was hydrothermally synthesized at 180 °C using thioglycolic acid (TGA) and cadmium acetate as starting materials. The transformation from the rod-like precursor of CdS/cadmium thiolate complex to CdS, CdSe and CdTe nanotubes were performed under constant stirring at room temperature in aqueous solution containing S 2-, Se 2- and Te 2-, respectively. The nanotube diameter can be controlled from 150 to 400 nm related to the dimension of templates. The XRD patterns show the cadmium chalcogenide nanotubes all corresponding to face-centered cubic structure. © 2012 Elsevier B.V. All rights reserved.

  4. Direct Electrospray Printing of Gradient Refractive Index Chalcogenide Glass Films.

    Science.gov (United States)

    Novak, Spencer; Lin, Pao Tai; Li, Cheng; Lumdee, Chatdanai; Hu, Juejun; Agarwal, Anuradha; Kik, Pieter G; Deng, Weiwei; Richardson, Kathleen

    2017-08-16

    A spatially varying effective refractive index gradient using chalcogenide glass layers is printed on a silicon wafer using an optimized electrospray (ES) deposition process. Using solution-derived glass precursors, IR-transparent Ge 23 Sb 7 S 70 and As 40 S 60 glass films of programmed thickness are fabricated to yield a bilayer structure, resulting in an effective gradient refractive index (GRIN) film. Optical and compositional analysis tools confirm the optical and physical nature of the gradient in the resulting high-optical-quality films, demonstrating the power of direct printing of multimaterial structures compatible with planar photonic fabrication protocols. The potential application of such tailorable materials and structures as they relate to the enhancement of sensitivity in chalcogenide glass based planar chemical sensor device design is presented. This method, applicable to a broad cross section of glass compositions, shows promise in directly depositing GRIN films with tunable refractive index profiles for bulk and planar optical components and devices.

  5. The Moessbauer effect in binary tin chalcogenides of tin 119

    International Nuclear Information System (INIS)

    Ortalli, I.; Fano, V.

    1975-01-01

    The values of the isomer shift, quadrupole splitting, Moessbauer coefficient, Debye temperature for the tin chalcogenides SnS. SnSe, SnTe are tabulated for the temperatures 80 and 300 K. Temperature dependences of the Moessbauer coefficient and of the effective Debye temperature for SnS, SnSe and SnTe in a temperature range of 78 to 300 K are presented. (Z.S.)

  6. Inverse opal photonic crystal of chalcogenide glass by solution processing.

    Science.gov (United States)

    Kohoutek, Tomas; Orava, Jiri; Sawada, Tsutomu; Fudouzi, Hiroshi

    2011-01-15

    Chalcogenide opal and inverse opal photonic crystals were successfully fabricated by low-cost and low-temperature solution-based process, which is well developed in polymer films processing. Highly ordered silica colloidal crystal films were successfully infilled with nano-colloidal solution of the high refractive index As(30)S(70) chalcogenide glass by using spin-coating method. The silica/As-S opal film was etched in HF acid to dissolve the silica opal template and fabricate the inverse opal As-S photonic crystal. Both, the infilled silica/As-S opal film (Δn ~ 0.84 near λ=770 nm) and the inverse opal As-S photonic structure (Δn ~ 1.26 near λ=660 nm) had significantly enhanced reflectivity values and wider photonic bandgaps in comparison with the silica opal film template (Δn ~ 0.434 near λ=600 nm). The key aspects of opal film preparation by spin-coating of nano-colloidal chalcogenide glass solution are discussed. The solution fabricated "inorganic polymer" opal and the inverse opal structures exceed photonic properties of silica or any organic polymer opal film. The fabricated photonic structures are proposed for designing novel flexible colloidal crystal laser devices, photonic waveguides and chemical sensors. Copyright © 2010 Elsevier Inc. All rights reserved.

  7. Forced Ion Migration for Chalcogenide Phase Change Memory Device

    Science.gov (United States)

    Campbell, Kristy A (Inventor)

    2013-01-01

    Non-volatile memory devices with two stacked layers of chalcogenide materials comprising the active memory device have been investigated for their potential as phase-change memories. The devices tested included GeTe/SnTe, Ge2Se3/SnTe, and Ge2Se3/SnSe stacks. All devices exhibited resistance switching behavior. The polarity of the applied voltage with respect to the SnTe or SnSe layer was critical to the memory switching properties, due to the electric field induced movement of either Sn or Te into the Ge-chalcogenide layer. One embodiment of the invention is a device comprising a stack of chalcogenide-containing layers which exhibit phase-change switching only after a reverse polarity voltage potential is applied across the stack causing ion movement into an adjacent layer and thus "activating" the device to act as a phase-change random access memory device or a reconfigurable electronics device when the applied voltage potential is returned to the normal polarity. Another embodiment of the invention is a device that is capable of exhibiting more than two data states.

  8. Chalcogenide glasses as optical and ion-conducting materials. Kogaku oyobi ion dendo zairyo toshite no chalcogenide glass

    Energy Technology Data Exchange (ETDEWEB)

    Toge, N.; Minami, T. (Univ. of Osaka Prefecture, Osaka (Japan))

    1991-12-01

    Nonoxide glasses whose main constituent are chalcogen elements like S, Se, or Te etc. show a lot of various properties, for instance, high infrared transmittancy and semi-conductivity which are already well known. Additionally, the optical properties change a lot along with the phase transition's happening between crystal and noncrystal under comparative low temperature. Further, it is also observed that the glasses containing proper cation appear high ion-conductivity. This paper supplies a brief reviews of chalcogenide glasses used as materials for infrared fiber, phase transition optical memory and superionic conductor, wherein the former two have already on the stage of utilization, particularly the realization of a rewritable optical memory is possible by using chalcogenide glasses film, and ion-conductor is in the phase to have shown the possibility of high conductivity while the development thereof is being expected. 22 refs., 8 figs.

  9. Recent Advances in Layered Metal Chalcogenides as Superconductors and Thermoelectric Materials: Fe-Based and Bi-Based Chalcogenides.

    Science.gov (United States)

    Mizuguchi, Yoshikazu

    2016-04-01

    Recent advances in layered (Fe-based and Bi-based) chalcogenides as superconductors or functional materials are reviewed. The Fe-chalcogenide (FeCh) family are the simplest Fe-based high-Tc superconductors. The superconductivity in the FeCh family is sensitive to external or chemical pressure, and high Tc is attained when the local structure (anion height) is optimized. The Bi-chalcogenide (BiCh2) family are a new group of layered superconductors with a wide variety of stacking structures. Their physical properties are also sensitive to external or chemical pressure. Recently, we revealed that the emergence of superconductivity and the Tc in this family correlate with the in-plane chemical pressure. Since the flexibility of crystal structure and electronic states are an advantage of the BiCh2 family for designing functionalities, I briefly review recent developments in this family as not only superconductors but also other functional materials. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Synthesis and crystal chemistry of transuranium element chalcogenides. Contribution to the study of the 5f electron localization

    International Nuclear Information System (INIS)

    Damien, Daniel.

    1976-09-01

    The synthesis and crystal chemistry of Np, Pu, Am and Cm transuranium element chalcogenides are described. From plutonium, transuranium element chalcogenides exhibit the same crystal structure as their rare-earth homologues. The variations of the lattice constants of these compounds in terms of the atomic number are characterized by the lack of the 5f contraction and are interpreted by a localization of the 5f electrons depending upon the considered transuranium element, the nature of the ligand and the crystal structure. To compare the degree of magnitude of the 5f electron delocalization in various compounds, a delocalization scale is proposed based on a comparison between the molar volumes of actinide and isostructural lanthanide compounds. This scale provides a delocalization coefficient for each compound under study. Examination of these coefficients shows that the 5f electrons, in series of actinide compounds, become localized when going from neptunium to curium and that the delocalization process does not only depend upon overlaps between 5f-6d orbitals of neighbouring actinide atoms; the delocalization coefficients show the existence of a secondary delocalization effect due to overlaps between the p anion and f actinide orbitals which are more important for the Vb anion group (N, P, As, Sb) than for the Vib one (S,Se,Te) [fr

  11. Infrared Emitting and Photoconducting Colloidal Silver Chalcogenide Nanocrystal Quantum Dots from a Silylamide-Promoted Synthesis

    NARCIS (Netherlands)

    Yarema, Maksym; Pichler, Stefan; Sytnyk, Mykhailo; Seyrkammer, Robert; Lechner, Rainer T.; Fritz-Popovski, Gerhard; Jarzab, Dorota; Szendrei, Krisztina; Resel, Roland; Korovyanko, Oleksandra; Loi, Maria Antonietta; Paris, Oskar; Hesser, Guenter; Heiss, Wolfgang; Hesser, Günter

    Here, we present a hot injection synthesis of colloidal Ag chalcogenide nanocrystals (Ag(2)Se, Ag(2)Te, and Ag(2)S) that resulted in exceptionally small nanocrystal sizes in the range between 2 and 4 nm. Ag chalcogenide nanocrystals exhibit band gap energies within the near-infrared spectral region,

  12. Crystal structures and thermal decomposition of permanganates AE[MnO{sub 4}]{sub 2} . n H{sub 2}O with the heavy alkaline earth elements (AE=Ca, Sr and Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Henning, Harald; Bauchert, Joerg M.; Conrad, Maurice; Schleid, Thomas [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2017-10-01

    Reexamination of the syntheses and crystal structures as well as studies of the thermal decomposition of the heavy alkaline earth metal permanganates Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O, Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O and Ba[MnO{sub 4}]{sub 2} are the focus of this work. As an alternative to the very inelegant Muthmann method, established for the synthesis of Ba[MnO{sub 4}]{sub 2} a long time ago, we employed a cation-exchange column loaded with Ba{sup 2+} cations and passed through an aqueous potassium-permanganate solution. We later used this alternative also with strontium- and calcium-loaded columns and all the compounds synthesized this way were indistinguishable from the products of the established methods. Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O exhibiting [CaO{sub 8}] polyhedra crystallizes in the orthorhombic space group Pccn with the lattice parameters a=1397.15(9), b=554.06(4) and c=1338.97(9) pm with Z=4, whereas Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O with [SrO{sub 10}] polyhedra adopts the cubic space group P2{sub 1}3 with a=964.19(7) pm and Z=4. So the harder the AE{sup 2+} cation, the higher its demand for hydration in aqueous solution. Consequently, the crystal structure of Ba[MnO{sub 4}]{sub 2} in the orthorhombic space group Fddd with a=742.36(5), b=1191.23(7) and c=1477.14(9) pm with Z=8 lacks any crystal water, but contains [BaO{sub 12}] polyhedra. During the thermal decomposition of Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O, the compound expels up to two water molecules of hydration, before the crystal structure collapses after the loss of the third H{sub 2}O molecule at 157 C. The crystal structure of Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O breaks down after the expulsion of the third water molecule as well, but this already occurs at 148 C. For both the calcium and the strontium permanganate samples, orthobixbyite-type α-Mn{sub 2}O{sub 3} and the oxomanganates(III,IV) AEMn{sub 3}O{sub 6} (AE=Ca and Sr) remain as final decomposition products at 800 C

  13. Uranium in alkaline rocks

    International Nuclear Information System (INIS)

    Murphy, M.; Wollenberg, H.; Strisower, B.; Bowman, H.; Flexser, S.; Carmichael, I.

    1978-04-01

    Geologic and geochemical criteria were developed for the occurrence of economic uranium deposits in alkaline igneous rocks. A literature search, a limited chemical analytical program, and visits to three prominent alkaline-rock localities (Ilimaussaq, Greenland; Pocos de Caldas, Brazil; and Powderhorn, Colorado) were made to establish criteria to determine if a site had some uranium resource potential. From the literature, four alkaline-intrusive occurrences of differing character were identified as type-localities for uranium mineralization, and the important aspects of these localities were described. These characteristics were used to categorize and evaluate U.S. occurrences. The literature search disclosed 69 U.S. sites, encompassing nepheline syenite, alkaline granite, and carbonatite. It was possible to compare two-thirds of these sites to the type localities. A ranking system identified ten of the sites as most likely to have uranium resource potential

  14. Uranium in alkaline rocks

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, M.; Wollenberg, H.; Strisower, B.; Bowman, H.; Flexser, S.; Carmichael, I.

    1978-04-01

    Geologic and geochemical criteria were developed for the occurrence of economic uranium deposits in alkaline igneous rocks. A literature search, a limited chemical analytical program, and visits to three prominent alkaline-rock localities (Ilimaussaq, Greenland; Pocos de Caldas, Brazil; and Powderhorn, Colorado) were made to establish criteria to determine if a site had some uranium resource potential. From the literature, four alkaline-intrusive occurrences of differing character were identified as type-localities for uranium mineralization, and the important aspects of these localities were described. These characteristics were used to categorize and evaluate U.S. occurrences. The literature search disclosed 69 U.S. sites, encompassing nepheline syenite, alkaline granite, and carbonatite. It was possible to compare two-thirds of these sites to the type localities. A ranking system identified ten of the sites as most likely to have uranium resource potential.

  15. Synthesis and Characterization of Quaternary Metal Chalcogenide Aerogels for Gas Separation and Volatile Hydrocarbon Adsorption

    KAUST Repository

    Edhaim, Fatimah A.

    2017-11-01

    In this dissertation, the metathesis route of metal chalcogenide aerogel synthesis was expanded by conducting systematic studies between polysulfide building blocks and the 1st-row transition metal linkers. Resulting materials were screened as sorbents for selective gas separation and volatile organic compounds adsorption. They showed preferential adsorption of polarizable gases (CO2) and organic compounds (toluene). Ion exchange and heavy metal remediation properties have also been demonstrated. The effect of the presence of different counter-ion within chalcogel frameworks on the adsorption capacity of the chalcogels was studied on AFe3Zn3S17 (A= K, Na, and Rb) chalcogels. The highest adsorption capacity toward hydrocarbons and gases was observed on Rb based chalcogels. Adopting a new building block [BiTe3]3- with the 1st-row transition metal ions results in the formation of three high BET surface area chalcogels, KCrBiTe3, KZnBiTe3, and KFeBiTe3. The resulting chalcogels showed preferential adsorption of toluene vapor, and remarkable selectivity of CO2, indicating the potential future use of chalcogels in adsorption-based gas or hydrocarbon separation processes. The synthesis and characterization of the rare earth chalcogels NaYSnS4, NaGdSnS4, and NaTbSnS4 are also reported. Rare earth metal ions react with the thiostannate clusters in formamide solution forming extended polymeric networks by gelation. Obtained chalcogels have high BET surface areas, and showed notable adsorption capacity toward CO2 and toluene vapor. These chalcogels have also been engaged in the absorption of different organic molecules. The results reveal the ability of the chalcogels to distinguish among organic molecules on their electronic structures; hence, they could be used as sensors. Furthermore, the synthesis of metal chalcogenide aerogels Co0.5Sb0.33MoS4 and Co0.5Y0.33MoS4 by the sol-gel method is reported. In this system, the building blocks [MoS4]2- chelated with Co2+ and (Sb3

  16. Quantum mechanics and molecular dynamics simulations of complexation of alkaline-earth and lanthanide cations by poly-amino-carboxylate ligands; Simulations par mecanique quantique et dynamique moleculaire de la complexation de cations alcalino-terreux et lanthanides par des ligands polyaminocarboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Durand, S

    1999-07-01

    Molecular dynamics (MD) simulations on lanthanide(III) and alkaline-earth(II) complexes with poly-amino-carboxylates (ethylene-diamino-tetra-acetate EDTA{sup 4-}, ethylene-diamino-tri-acetate-acetic acid EDTA(H){sup 3-}, tetra-aza-cyclo-dodecane-tetra-acetate DOTA{sup 4-}, methylene-imidine-acetate MIDA{sup 2-}) are reported. First, a consistent set of Lennard-Jones parameters for La{sup 3+}, Eu{sup 3+} and Lu{sup 3+} cations has been derived from free energy calculations in aqueous solution. Observed differences in hydration free energies, coordination distances and hydration numbers are reproduced. Then, the solution structures of 1:1 complexes of alkaline-earth and/or lanthanide cations with EDTA{sup 4-}, EDTA(H){sup 3-}, DOTA{sup 4-} and 1:2 complexes of lanthanide cations with MIDA{sup 2-} were studied by MD in water. In addition, free energy calculations were performed to study, for each ligand, the relative thermodynamic stabilities of complexes with Ca{sup 2+} vs Sr{sup 2+} and vs Ba{sup 2+} on the one hand, and with La{sup 3+} vs Eu{sup 3+} and vs Lu{sup 3+} on the other hand. Model does not take into account explicitly polarization and charge transfer. However, the results qualitatively agree with experimental complexation data (structure and selectivities). (author)

  17. Synthesis and photoluminescence of Sm3+ doped alkali alkaline earth borate hosts NaBa4 (BO3)3 and LiSr4(BO3)3

    International Nuclear Information System (INIS)

    Chauhan, A.V.; Nagpure, P.A.; Omanwar, S.K.

    2012-01-01

    In this paper we report the photoluminescence of Sm 3+ doped alkali alkaline borate hosts NaBa 4 (BO 3 ) 3 and LiSr 4 (BO 3 ) 3 . For the synthesis of alkali alkaline borate hosts NaBa 4 (BO 3 ) 3 and LiSr 4 (BO 3 ) 3 doped with different concentrations of Sm 3+ ions, we used the novel combustion technique. The phase purity of the hosts was confirmed by the powder XRD technique. The photoluminescence of the phosphors were carried out within 300 to 700 nm wavelength range. The phosphor shows intense orange red (602 nm) emission for near UV excitation. The FTIR spectra of the phase pure hosts have also been reported. (author)

  18. Chalcogenide metal centers for oxygen reduction reaction: Activity and tolerance

    International Nuclear Information System (INIS)

    Feng Yongjun; Gago, Aldo; Timperman, Laure; Alonso-Vante, Nicolas

    2011-01-01

    This mini-review summarizes materials design methods, oxygen reduction kinetics, tolerance to small organic molecules and fuel cell performance of chalcogenide metal catalysts, particularly, ruthenium (Ru x Se y ) and non-precious transition metals (M x X y : M = Co, Fe and Ni; X = Se and S). These non-platinum catalysts are potential alternatives to Pt-based catalysts because of their comparable catalytic activity (Ru x Se y ), low cost, high abundance and, in particular, a high tolerance to small organic molecules. Developing trends of synthesis methods, mechanism of oxygen reduction reaction and applications in direct alcohol fuel cells as well as the substrate effect are highlighted.

  19. Investigations on the parent compounds of Fe-chalcogenide superconductors

    International Nuclear Information System (INIS)

    Koz, Cevriye

    2015-01-01

    This work is focused on the parent compounds of the Fe-chalcogenide superconductors. For this purpose poly- and single-crystalline forms of tetragonal β-Fe x Se, Fe 1+y Te, Fe 1+y Te 1-x Se x and Fe (1+y)-x M x Te (M = Ni, Co) have been prepared. Second focal points of this study are the low-temperature structural phase transitions and physical property changes in tetragonal Fe 1+y Te which are induced by composition, external pressure, and cationic substitution.

  20. Positronics of radiation-induced effects in chalcogenide glassy semiconductors

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Kozyukhin, S. A.; Shpotyuk, M.; Ingram, A.; Szatanik, R.

    2015-01-01

    Using As 2 S 3 and AsS 2 glasses as an example, the principal possibility of using positron annihilation spectroscopy methods for studying the evolution of the free volume of hollow nanoobjects in chalcogenide glassy semiconductors exposed to radiation is shown. The results obtained by measurements of the positron annihilation lifetime and Doppler broadening of the annihilation line in reverse chronological order are in full agreement with the optical spectroscopy data in the region of the fundamental absorption edge, being adequately described within coordination defect-formation and physical-aging models

  1. Reversibility windows in selenide-based chalcogenide glasses

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Hyla, M.; Boyko, V.; Golovchak, R.

    2008-01-01

    A simple route for the estimation of the reversibility windows in the sense of non-ageing ability is developed for chalcogenide glasses obeying '8-N' rule at the example of As-Se, Ge-Se and Ge-As-Se glass systems. The low limit of their reversibility windows is determined at the average coordination number Z=2.4 in full agreement with rigidity percolation theory, while the upper limit is shown to be related to the glass preparation conditions and samples prehistory

  2. Positronics of radiation-induced effects in chalcogenide glassy semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Scientific Research Company “Carat” (Ukraine); Kozyukhin, S. A., E-mail: sergkoz@igic.ras.ru [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Shpotyuk, M. [Scientific Research Company “Carat” (Ukraine); Ingram, A. [Opole Technical University (Poland); Szatanik, R. [Opole University (Poland)

    2015-03-15

    Using As{sub 2}S{sub 3} and AsS{sub 2} glasses as an example, the principal possibility of using positron annihilation spectroscopy methods for studying the evolution of the free volume of hollow nanoobjects in chalcogenide glassy semiconductors exposed to radiation is shown. The results obtained by measurements of the positron annihilation lifetime and Doppler broadening of the annihilation line in reverse chronological order are in full agreement with the optical spectroscopy data in the region of the fundamental absorption edge, being adequately described within coordination defect-formation and physical-aging models.

  3. Reversibility windows in selenide-based chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska Street, Lviv, UA 79031 (Ukraine); Institute of Physics of Jan Dlugosz University, 13/15, al. Armii Krajowej, Czestochowa, PL 42200 (Poland); Hyla, M. [Institute of Physics of Jan Dlugosz University, 13/15, al. Armii Krajowej, Czestochowa, PL 42200 (Poland); Boyko, V. [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska Street, Lviv, UA 79031 (Ukraine); Lviv National Polytechnic University, 12, Bandera Street, Lviv, UA 79013 (Ukraine); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska Street, Lviv, UA 79031 (Ukraine)], E-mail: golovchak@novas.lviv.ua

    2008-10-01

    A simple route for the estimation of the reversibility windows in the sense of non-ageing ability is developed for chalcogenide glasses obeying '8-N' rule at the example of As-Se, Ge-Se and Ge-As-Se glass systems. The low limit of their reversibility windows is determined at the average coordination number Z=2.4 in full agreement with rigidity percolation theory, while the upper limit is shown to be related to the glass preparation conditions and samples prehistory.

  4. Advanced alkaline water electrolysis

    International Nuclear Information System (INIS)

    Marini, Stefania; Salvi, Paolo; Nelli, Paolo; Pesenti, Rachele; Villa, Marco; Berrettoni, Mario; Zangari, Giovanni; Kiros, Yohannes

    2012-01-01

    A short review on the fundamental and technological issues relevant to water electrolysis in alkaline and proton exchange membrane (PEM) devices is given. Due to price and limited availability of the platinum group metal (PGM) catalysts they currently employ, PEM electrolyzers have scant possibilities of being employed in large-scale hydrogen production. The importance and recent advancements in the development of catalysts without PGMs are poised to benefit more the field of alkaline electrolysis rather than that of PEM devices. This paper presents our original data which demonstrate that an advanced alkaline electrolyzer with performances rivaling those of PEM electrolyzers can be made without PGM and with catalysts of high stability and durability. Studies on the advantages/limitations of electrolyzers with different architectures do show how a judicious application of pressure differentials in a recirculating electrolyte scheme helps reduce mass transport limitations, increasing efficiency and power density.

  5. Nanoscale structure and atomic disorder in the iron-based chalcogenides

    Directory of Open Access Journals (Sweden)

    Naurang Lal Saini

    2013-01-01

    Full Text Available The multiband iron-based superconductors have layered structure with a phase diagram characterized by a complex interplay of charge, spin and lattice excitations, with nanoscale atomic structure playing a key role in their fundamental electronic properties. In this paper, we briefly review nanoscale structure and atomic disorder in iron-based chalcogenide superconductors. We focus on the Fe(Se,S1−xTex (11-type and K0.8Fe1.6Se2 (122-type systems, discussing their local structure obtained by extended x-ray absorption fine structure. Local structure studies on the Fe(Se,S1−xTex system reveal clear nanoscale phase separation characterized by coexisting components of different atomic configurations, similar to the case of random alloys. In fact, the Fe–Se/S and Fe–Te distances in the ternary Fe(Se,S1−xTex are found to be closer to the respective distances in the binary FeSe/FeS and FeTe systems, showing significant divergence of the local structure from the average one. The observed features are characteristic of ternary random alloys, indicating breaking of the local symmetry in these materials. On the other hand, K0.8Fe1.6Se2 is known for phase separation in an iron-vacancy ordered phase and an in-plane compressed lattice phase. The local structure of these 122-type chalcogenides shows that this system is characterized by a large local disorder. Indeed, the experiments suggest a nanoscale glassy phase in K0.8Fe1.6Se2, with the superconductivity being similar to the granular materials. While the 11-type structure has no spacer layer, the 122-type structure contains intercalated atoms unlike the 1111-type REFeAsO (RE = rare earth oxypnictides, having well-defined REO spacer layers. It is clear that the interlayer atomic correlations in these iron-based superconducting structures play an important role in structural stability as well as superconductivity and magnetism.

  6. Alkaline fuel cell technology in the lead

    International Nuclear Information System (INIS)

    Nor, J.K.

    2004-01-01

    The Alkaline Fuel Cell (AFC) was the first fuel cell successfully put into practice, a century after William Grove patented his 'hydrogen battery' in 1839. The space program provided the necessary momentum, and alkaline fuel cells became the power source for both the U.S. and Russian manned space flight. Astris Energi's mission has been to bring this technology down to earth as inexpensive, rugged fuel cells for everyday applications. The early cells, LABCELL 50 and LABCELL 200 were aimed at deployment in research labs, colleges and universities. They served well in technology demonstration projects such as the 1998 Mini Jeep, 2001 Golf Car and a series of portable and stationary fuel cell generators. The present third generation POWERSTACK MC250 poised for commercialization is being offered to AFC system integrators as a building block of fuel cell systems in numerous portable, stationary and transportation applications. It is also used in Astris' own E7 and E8 alkaline fuel cell generators. Astris alkaline technology leads the way toward economical, plentiful fuel cells. The paper highlights the progress achieved at Astris, improvements of performance, durability and simplicity of use, as well as the current and future thrust in technology development and commercialization. (author)

  7. Synthesis, characterization, and chemical bonding analysis of the lithium alkaline-earth metal gallide nitrides Li{sub 2}(Ca{sub 3}N){sub 2}[Ga{sub 4}] and Li{sub 2}(Sr{sub 3}N){sub 2}[Ga{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, Manisha; Bobnar, Matej; Ormeci, Alim; Hoehn, Peter [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Stoiber, Dominik; Niewa, Rainer [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Ovchinnikov, Alexander [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Department of Chemistry and Biochemistry, University of Delaware, Newark, DE (United States)

    2017-11-17

    Large single crystals of Li{sub 2}(Ca{sub 3}N){sub 2}[Ga{sub 4}] and Li{sub 2}(Sr{sub 3}N){sub 2}[Ga{sub 4}] up to several mm in size were grown from mixtures of the respective elements and binary alkaline-earth metal nitrides in reactive lithium melts employing a modified high-temperature centrifugation-aided filtration (HTCAF) technique. The main structural features of these isotypic phases are stella quadrangula building units [Ga{sub 4}]Li{sub 4/2} and octahedra (Nae{sub 6/2}), which form two independent interpenetrating networks. The phases crystallize in the η-carbide structure and represent diamagnetic small bandgap semiconductors. Real-space chemical bonding analysis indicates predominantly ionic bonding. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Modulation-instability biosensing using an As2S3 chalcogenide tapered fiber

    DEFF Research Database (Denmark)

    Markos, Christos; Bang, Ole

    2016-01-01

    We demonstrate an experimentally feasible biosensor design based on As2S3 chalcogenide tapered fiber. Pumping the fiber close to 1064 nm, a record sensitivity up to ~18 nm/nm was predicted.......We demonstrate an experimentally feasible biosensor design based on As2S3 chalcogenide tapered fiber. Pumping the fiber close to 1064 nm, a record sensitivity up to ~18 nm/nm was predicted....

  9. Visible-active photocatalytic behaviors observed in nanostructured lead chalcogenides PbX (X = S, Se, Te)

    International Nuclear Information System (INIS)

    Qiao, Li-Na; Wang, H.C.; Shen, Y.; Lin, Yuan-Hua; Nan, Ce-Wen

    2016-01-01

    Nanostructured lead chalcogenides (PbX, X = Te, Se, S) were prepared via a simple hydrothermal method. The powder samples were characterized by XRD, SEM, SAED and DRS. Phase composition and microstructure analysis indicate that these samples are pure lead chalcogenides phases and have similar morphologies. These lead chalcogenides display efficient absorption in the UV-visible light range. The photocatalytic properties of lead chalcogenides nanoparticles were evaluated by the photodegradation of Congo red under UV-visible light irradiation in air atmosphere. The Congo red solution can be efficiently degraded under visible light in the presence of lead chalcogenides nanoparticles. The photocatalytic activities of lead chalcogenides generally increase with increasing their band gaps and shows no appreciable loss after repeated cycles. Our results may be useful for developing new photocatalyst systems responsive to visible light among narrow band gap semiconductors

  10. Synthesis of 2D Metal Chalcogenide Thin Films through the Process Involving Solution-Phase Deposition.

    Science.gov (United States)

    Giri, Anupam; Park, Gyeongbae; Yang, Heeseung; Pal, Monalisa; Kwak, Junghyeok; Jeong, Unyong

    2018-04-24

    2D metal chalcogenide thin films have recently attracted considerable attention owing to their unique physicochemical properties and great potential in a variety of applications. Synthesis of large-area 2D metal chalcogenide thin films in controllable ways remains a key challenge in this research field. Recently, the solution-based synthesis of 2D metal chalcogenide thin films has emerged as an alternative approach to vacuum-based synthesis because it is relatively simple and easy to scale up for high-throughput production. In addition, solution-based thin films open new opportunities that cannot be achieved from vacuum-based thin films. Here, a comprehensive summary regarding the basic structures and properties of different types of 2D metal chalcogenides, the mechanistic details of the chemical reactions in the synthesis of the metal chalcogenide thin films, recent successes in the synthesis by different reaction approaches, and the applications and potential uses is provided. In the last perspective section, the technical challenges to be overcome and the future research directions in the solution-based synthesis of 2D metal chalcogenides are discussed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Chalcogenide phase-change thin films used as grayscale photolithography materials.

    Science.gov (United States)

    Wang, Rui; Wei, Jingsong; Fan, Yongtao

    2014-03-10

    Chalcogenide phase-change thin films are used in many fields, such as optical information storage and solid-state memory. In this work, we present another application of chalcogenide phase-change thin films, i.e., as grayscale photolithgraphy materials. The grayscale patterns can be directly inscribed on the chalcogenide phase-change thin films by a single process through direct laser writing method. In grayscale photolithography, the laser pulse can induce the formation of bump structure, and the bump height and size can be precisely controlled by changing laser energy. Bumps with different height and size present different optical reflection and transmission spectra, leading to the different gray levels. For example, the continuous-tone grayscale images of lifelike bird and cat are successfully inscribed onto Sb(2)Te(3) chalcogenide phase-change thin films using a home-built laser direct writer, where the expression and appearance of the lifelike bird and cat are fully presented. This work provides a way to fabricate complicated grayscale patterns using laser-induced bump structures onto chalcogenide phase-change thin films, different from current techniques such as photolithography, electron beam lithography, and focused ion beam lithography. The ability to form grayscale patterns of chalcogenide phase-change thin films reveals many potential applications in high-resolution optical images for micro/nano image storage, microartworks, and grayscale photomasks.

  12. Microbial synthesis of chalcogenide semiconductor nanoparticles: a review.

    Science.gov (United States)

    Jacob, Jaya Mary; Lens, Piet N L; Balakrishnan, Raj Mohan

    2016-01-01

    Chalcogenide semiconductor quantum dots are emerging as promising nanomaterials due to their size tunable optoelectronic properties. The commercial synthesis and their subsequent integration for practical uses have, however, been contorted largely due to the toxicity and cost issues associated with the present chemical synthesis protocols. Accordingly, there is an immediate need to develop alternative environment-friendly synthesis procedures. Microbial factories hold immense potential to achieve this objective. Over the past few years, bacteria, fungi and yeasts have been experimented with as eco-friendly and cost-effective tools for the biosynthesis of semiconductor quantum dots. This review provides a detailed overview about the production of chalcogen-based semiconductor quantum particles using the inherent microbial machinery. © 2015 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.

  13. Angle-resolved photoemission spectroscopy on iron-chalcogenide superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Maletz, Janek; Zabolotnyy, Volodymyr; Evtushinsky, Daniil; Thirupathaiah, Setti; Wolter-Giraud, Anja; Harnagea, Luminita; Kordyuk, Alexander; Borisenko, Sergey [IFW Dresden (Germany); Yaresko, Alexander [MPI-FKF, Stuttgart (Germany); Vasiliev, Alexander [Moscow State University (Russian Federation); Chareev, Dimitri [RAS, Chernogolovka (Russian Federation); Rienks, Emile [Helmholtz-Zentrum Berlin (Germany); Buechner, Bernd [IFW Dresden (Germany); TU Dresden (Germany); Shermadini, Zurab; Luetkens, Hubertus; Sedlak, Kamil; Khasanov, Rustem; Amato, Alex; Krzton-Maziopa, Anna; Conder, Kazimierz; Pomjakushina, Ekaterina [Paul Scherrer Institute (Switzerland); Klauss, Hans-Henning [TU Dresden (Germany)

    2014-07-01

    The electronic structure of the iron chalcogenide superconductors FeSe{sub 1-x} and Rb{sub 0.77}Fe{sub 1.61}Se{sub 2} was investigated by high-resolution angle-resolved photoemission spectroscopy (ARPES). The results were compared to DFT calculations and μSR measurements. Both compounds share ''cigar-shaped'' Fermi surface sheets in their electronic structure, that can be found in almost all iron-pnictide superconductors. These features originate from a strong interplay of two hole- and electron-like bands in the Brillouin zone center, leading to a pronounced singularity in the density of states just below the Fermi level. This facilitates the coupling to a bosonic mode responsible for superconductivity.

  14. Copper Antimony Chalcogenide Thin Film PV Device Development

    Energy Technology Data Exchange (ETDEWEB)

    Welch, Adam W.; Baranowski, Lauryn L.; de Souza Lucas, Francisco Willian; Toberer, Eric S.; Wolden, Colin A.; Zakutayev, Andriy

    2015-06-14

    Emerging ternary chalcogenide thin film solar cell technologies, such as CuSbS2 and CuSbSe2, have recently attracted attention as simpler alternatives to quaternary Cu2ZnSnS4 (CZTS). Despite suitable photovoltaic properties, the initial energy conversion efficiency of CuSbS2 is rather low (0.3%). Here, we report on our progress towards improving the efficiency of CuSbS2 solar cells using a high throughput approach. The combinatorial methodology quickly results in baseline solar cell prototypes with 0.6% efficiency, and then modification of the back contact architecture leads to 1% PV devices. We then translate the optimal CuSbS2 synthesis parameters to CuSbSe2 devices, which show 3% efficiencies.

  15. Chalcogenide Glass Radiation Sensor; Materials Development, Design and Device Testing

    Energy Technology Data Exchange (ETDEWEB)

    Mitkova, Maria; Butt, Darryl; Kozicki, Michael; Barnaby, Hugo

    2013-04-30

    For many decades, various radiation detecting material have been extensively researched, to find a better material or mechanism for radiation sensing. Recently, there is a growing need for a smaller and effective material or device that can perform similar functions of bulkier Geiger counters and other measurement options, which fail the requirement for easy, cheap and accurate radiation dose measurement. Here arises the use of thin film chalcogenide glass, which has unique properties of high thermal stability along with high sensitivity towards short wavelength radiation. The unique properties of chalcogenide glasses are attributed to the lone pair p-shell electrons, which provide some distinctive optical properties when compared to crystalline material. These qualities are derived from the energy band diagram and the presence of localized states in the band gap. Chalcogenide glasses have band tail states and localized states, along with the two band states. These extra states are primarily due to the lone pair electrons as well as the amorphous structure of the glasses. The localized states between the conductance band (CB) and valence band (VB) are primarily due to the presence of the lone pair electrons, while the band tail states are attributed to the Van der Waal's forces between layers of atoms [1]. Localized states are trap locations within the band gap where electrons from the valence band can hop into, in their path towards the conduction band. Tail states on the other hand are locations near the band gap edges and are known as Urbach tail states (Eu). These states are occupied with many electrons that can participate in the various transformations due to interaction with photons. According to Y. Utsugi et. al.[2], the electron-phonon interactions are responsible for the generation of the Urbach tails. These states are responsible for setting the absorption edge for these glasses and photons with energy near the band gap affect these states. We have

  16. Zinc Antimonides and Copper Chalcogenides as Thermoelectric Materials

    DEFF Research Database (Denmark)

    Blichfeld, Anders Bank

    2017-01-01

    , and linked with the physical properties. The materials crystallography approach, relating physical properties with a structural understating, has been applied in this thesis for two highly interesting materials systems, zinc antimonides and copper chalcogenides. Both of these systems are high profiled....... The preparation parameters used, have a large influence on the homogeneity of the products, and new electric phases were identified and studied for ZnSb. For the samples prepared by physical vapor deposition, the growth takes place under non-thermodynamic conditions, making it possible to access kinetically...... intensity X-ray radiation at large international facilities, making it possible to measure pair distribution function data directly on thin-film samples in a normal incident setup, termed tfPDF. The tfPDF method was demonstrated on the iron antimony system. tfPDF was developed even further to include...

  17. Radionuclides in diffusion probing of inorganic materials based on chalcogenides

    International Nuclear Information System (INIS)

    Firsova, L.P.

    1994-01-01

    Migration of tellurium-125m, selenium-75, sulfur-35 radionuclides in solid solutions Pb 1-y (Se 0.08 Te 0.92 ) y and (Pb 1-x Sn x ) y Te 1-y , where x=0.1 and 0.2, has been studied, the results are presented. Data on dependence of selenium and tellurium self-diffusion coefficients on temperature in the range of 600-750 deg C are given. The results of the study of self-diffusion coefficient isothermal dependences on lead and tellurium vapour pressure in equilibrium with solid phases have been considered. It is ascertained that a change in the temperature and p-n transitions initiate the change in self-diffusion mechanisms of chalcogenide atoms. 8 refs., 3 tabs

  18. Diffusion of 64Cu in copper-containing chalcogenide glasses

    International Nuclear Information System (INIS)

    Vlasov, Yu.G.; Bychkov, E.A.; Bolotov, A.M.; Tsegel'nik, V.S.; Gavrilov, Yu.A.

    1996-01-01

    Diffusion experiments with 64 Cu radioactive tracer for a number of copper-containing chalcogenide glasses CuI-As 2 Se 3 , Cu-SbI 3 -As 2 Se 3 , CuI-PbI 2 -As 2 Se 3 , CuI-PbI 2 -SbI 3 -As 2 Se 3 and Cu 2 Se-As 2 Se 3 are carried out for the first time. The results of diffusion and electrodiffusion measurements are in correspondence with information on electroconductivity and diffusion in a limited space (cage diffusion) from the Moessbauer spectroscopy on 124 I. It is shown for the first time that the Cheivin factor index for copper-conducting glasses in by 2-3 times higher as compared to silver-conducting glasses with approximate diffusion coefficients indices. 27 refs., 3 figs., 1 tab

  19. Multi-layered Chalcogenides with potential for magnetism and superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Li, Li, E-mail: lil2@ornl.gov [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Parker, David S. [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Cruz, Clarina R. dela [Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Sefat, Athena S., E-mail: sefata@ornl.gov [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2016-12-15

    Highlights: • A comprehensive study on multi-layered thallium copper chalcogenides TlCu{sub 2n}Ch{sub n+1}. • All the TlCu{sub 2n}Ch{sub n+1} exhibit metallic behaviors with no long-range magnetism. • Calculations suggest a lack of Fermi-level spectral weight for magnetic instability. • Our results suggest a likelihood of magnetism for multiple structural layers with Fe. - Abstract: Layered thallium copper chalcogenides can form single, double, or triple layers of Cu–Ch separated by Tl sheets. Here we report on the preparation and properties of Tl-based materials of TlCu{sub 2}Se{sub 2}, TlCu{sub 4}S{sub 3}, TlCu{sub 4}Se{sub 3} and TlCu{sub 6}S{sub 4}. Having no long-range magnetism for these materials is quite surprising considering the possibilities of inter- and intra-layer exchange interactions through Cu 3d, and we measure by magnetic susceptibility and confirm by neutron diffraction. First principles density-functional theory calculations for both the single-layer TlCu{sub 2}Se{sub 2} (isostructural to the ‘122’ iron-based superconductors) and the double-layer TlCu{sub 4}Se{sub 3} suggest a lack of Fermi-level spectral weight that is needed to drive a magnetic or superconducting instability. However, for multiple structural layers with Fe, there is much greater likelihood for magnetism and superconductivity.

  20. Structural phase transition and elastic properties of mercury chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Shriya, S. [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria)

    2012-08-15

    Pressure induced structural transition and elastic properties of ZnS-type (B3) to NaCl-type (B1) structure in mercury chalcogenides (HgX; X = S, Se and Te) are presented. An effective interionic interaction potential (EIOP) with long-range Coulomb, as well charge transfer interactions, Hafemeister and Flygare type short-range overlap repulsion extended up to the second neighbor ions and van der Waals interactions are considered. Emphasis is on the evaluation of the pressure dependent Poisson's ratio {nu}, the ratio R{sub BT/G} of B (bulk modulus) over G (shear modulus), anisotropy parameter, Shear and Young's modulus, Lame constant, Kleinman parameter, elastic wave velocity and thermodynamical property as Debye temperature. The Poisson's ratio behavior infers that Mercury chalcogenides are brittle in nature. To our knowledge this is the first quantitative theoretical prediction of the pressure dependence of elastic and thermodynamical properties explicitly the ductile (brittle) nature of HgX and still awaits experimental confirmations. Highlights: Black-Right-Pointing-Pointer Vast volume discontinuity in phase diagram infers transition from ZnS to NaCl structure. Black-Right-Pointing-Pointer The shear elastic constant C{sub 44} is nonzero confirms the mechanical stability. Black-Right-Pointing-Pointer Pressure dependence of {theta}{sub D} infers the softening of lattice with increasing pressure. Black-Right-Pointing-Pointer Estimated bulk, shear and tetragonal moduli satisfied elastic stability criteria. Black-Right-Pointing-Pointer In both B3 and B1 phases, C{sub 11} and C{sub 12} increase linearly with pressure.

  1. Constructing and screening a metagenomic library of a cold and alkaline extreme environment

    DEFF Research Database (Denmark)

    Glaring, Mikkel Andreas; Vester, Jan Kjølhede; Stougaard, Peter

    2017-01-01

    Natural cold or alkaline environments are common on Earth. A rare combination of these two extremes is found in the permanently cold (less than 6 °C) and alkaline (pH above 10) ikaite columns in the Ikka Fjord in Southern Greenland. Bioprospecting efforts have established the ikaite columns...

  2. Alkalinity of the Mediterranean Sea

    OpenAIRE

    Schneider, Anke; Wallace, Douglas W.R.; Körtzinger, Arne

    2007-01-01

    Total alkalinity (AT) was measured during the Meteor 51/2 cruise, crossing the Mediterranean Sea from west to east. AT concentrations were high (∼2600 μmol kg−1) and alkalinity-salinity-correlations had negative intercepts. These results are explained by evaporation coupled with high freshwater AT inputs into coastal areas. Salinity adjustment of AT revealed excess alkalinity throughout the water column compared to mid-basin surface waters. Since Mediterranean waters are supersaturated with r...

  3. Luminescence properties of Eu2+ - activated alkaline-earth silicon-oxynitride MSi2O2-deltaN2+2/3delta (M = Ca, Sr, Ba) : A promising class of novel LED conversion phosphors

    NARCIS (Netherlands)

    Li, Y.Q.; Delsing, A.C.A.; With, de G.; Hintzen, H.T.J.M.

    2005-01-01

    The luminescence properties of Eu2+-activated alk.-earth Si-oxynitrides were studied. In the BaO-SiO2-Si3N4 system, a new BaSi2O2N2 compd. was obtained having the monoclinic structure with lattice parameters a 14.070(4), b 7.276(2), c 13.181(3) .ANG., b 107.74(6)°. All MSi2O2-dN2+2/3d:Eu2+ (M = Ca,

  4. Alkaline fuel cells applications

    Science.gov (United States)

    Kordesch, Karl; Hacker, Viktor; Gsellmann, Josef; Cifrain, Martin; Faleschini, Gottfried; Enzinger, Peter; Fankhauser, Robert; Ortner, Markus; Muhr, Michael; Aronson, Robert R.

    On the world-wide automobile market technical developments are increasingly determined by the dramatic restriction on emissions as well as the regimentation of fuel consumption by legislation. Therefore there is an increasing chance of a completely new technology breakthrough if it offers new opportunities, meeting the requirements of resource preservation and emission restrictions. Fuel cell technology offers the possibility to excel in today's motive power techniques in terms of environmental compatibility, consumer's profit, costs of maintenance and efficiency. The key question is economy. This will be decided by the costs of fuel cell systems if they are to be used as power generators for future electric vehicles. The alkaline hydrogen-air fuel cell system with circulating KOH electrolyte and low-cost catalysed carbon electrodes could be a promising alternative. Based on the experiences of Kordesch [K. Kordesch, Brennstoffbatterien, Springer, Wien, 1984, ISBN 3-387-81819-7; K. Kordesch, City car with H 2-air fuel cell and lead-battery, SAE Paper No. 719015, 6th IECEC, 1971], who operated a city car hybrid vehicle on public roads for 3 years in the early 1970s, improved air electrodes plus new variations of the bipolar stack assembly developed in Graz are investigated. Primary fuel choice will be a major issue until such time as cost-effective, on-board hydrogen storage is developed. Ammonia is an interesting option. The whole system, ammonia dissociator plus alkaline fuel cell (AFC), is characterised by a simple design and high efficiency.

  5. General Top-Down Ion Exchange Process for the Growth of Epitaxial Chalcogenide Thin Films and Devices

    KAUST Repository

    Xia, Chuan; Li, Peng; Li, Jun; Jiang, Qiu; Zhang, Xixiang; Alshareef, Husam N.

    2016-01-01

    ) epitaxial chalcogenide metallic and semiconducting films and (2) free-standing chalcogenide films and (3) completed in situ formation of atomically sharp heterojunctions by selective ion exchange. Epitaxial NiCo2S4 thin films prepared by our process show 115

  6. Infrared emitting and photoconducting colloidal silver chalcogenide nanocrystal quantum dots from a silylamide-promoted synthesis.

    Science.gov (United States)

    Yarema, Maksym; Pichler, Stefan; Sytnyk, Mykhailo; Seyrkammer, Robert; Lechner, Rainer T; Fritz-Popovski, Gerhard; Jarzab, Dorota; Szendrei, Krisztina; Resel, Roland; Korovyanko, Oleksandra; Loi, Maria Antonietta; Paris, Oskar; Hesser, Günter; Heiss, Wolfgang

    2011-05-24

    Here, we present a hot injection synthesis of colloidal Ag chalcogenide nanocrystals (Ag(2)Se, Ag(2)Te, and Ag(2)S) that resulted in exceptionally small nanocrystal sizes in the range between 2 and 4 nm. Ag chalcogenide nanocrystals exhibit band gap energies within the near-infrared spectral region, making these materials promising as environmentally benign alternatives to established infrared active nanocrystals containing toxic metals such as Hg, Cd, and Pb. We present Ag(2)Se nanocrystals in detail, giving size-tunable luminescence with quantum yields above 1.7%. The luminescence, with a decay time on the order of 130 ns, was shown to improve due to the growth of a monolayer thick ZnSe shell. Photoconductivity with a quantum efficiency of 27% was achieved by blending the Ag(2)Se nanocrystals with a soluble fullerene derivative. The co-injection of lithium silylamide was found to be crucial to the synthesis of Ag chalcogenide nanocrystals, which drastically increased their nucleation rate even at relatively low growth temperatures. Because the same observation was made for the nucleation of Cd chalcogenide nanocrystals, we conclude that the addition of lithium silylamide might generally promote wet-chemical synthesis of metal chalcogenide nanocrystals, including in as-yet unexplored materials.

  7. Valence band electronic structure of Pd based ternary chalcogenide superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

    2016-12-15

    Highlights: • VB Photoemission study and DFT calculations on Pd based ternary superconductors are presented. • Nb{sub 2}Pd{sub 0.95}S{sub 5} shows a temperature dependent pseudogap. • VB spectral features of ternary superconductors are correlated to their structural geometry. - Abstract: We present a comparative study of the valence band electronic structure of Pd based ternary chalcogenide superconductors Nb{sub 2}Pd{sub 0.95}S{sub 5}, Ta{sub 2}Pd{sub 0.97}S{sub 6} and Ta{sub 2}Pd{sub 0.97}Te{sub 6} using experimental photoemission spectroscopy and density functional based theoretical calculations. We observe a qualitatively similarity between valence band (VB) spectra of Nb{sub 2}Pd{sub 0.95}S{sub 5} and Ta{sub 2}Pd{sub 0.97}S{sub 6}. Further, we find a pseudogap feature in Nb{sub 2}Pd{sub 0.95}S{sub 5} at low temperature, unlike other two compounds. We have correlated the structural geometry with the differences in VB spectra of these compounds. The different atomic packing in these compounds could vary the strength of inter-orbital hybridization among various atoms which leads to difference in their electronic structure as clearly observed in our DOS calculations.

  8. Method of cleaning alkaline metal

    International Nuclear Information System (INIS)

    Kawakami, Yukio; Naito, Kesahiro; Iizawa, Katsuyuki; Nakasuji, Takashi

    1981-01-01

    Purpose: To prevent scattering of used sodium and aqueous alkaline solution when cleaning used sodium and metallic sodium adhering to equipment with an aqueous alkaline solution. Method: A sodium treating container is filled with an aqueous alkaline solution, and stainless steel gauze is sunk in the container. Equipment to be cleaned such as equipment with sodium adhering to it are retained under the gauze and are thus cleaned. On the other hand, the surface of the aqueous alkaline solution is covered with a fluid paraffin liquid covering material. Thus, the hydrogen produced by the reaction of the sodium and the aqueous alkaline solution will float up, pass through the liquid covering material and be discharged. The sodium will pass through the gauze and float upwardly while reacting with the aqueous alkaline solution in a partic ulate state to the boundary between the aqueous alkaline solution and up to the covering material, and thus the theratment reaction will continue. Thus, the cover material prevents the sodium and the aqueous alkaline solution from scattering. (Kamimura, M.)

  9. Similarity in the superconducting properties of chalcogenides, cuprate oxides and fullerides

    International Nuclear Information System (INIS)

    Tsendin, K.D.; Popov, B.P.; Denisov, D.V.

    2004-01-01

    The idea of Anderson pairs has been put forward for explanation of many extraordinary properties of chalcogenides glassy semiconductors. Recent decades made obvious that these pairs localized on the centers with negative effective correlation energy (negative-U centers) really exist in chalcogenides. If the concentration of negative-U centers is enough to create the pair band states, this can lead to superconductivity because Anderson pairs are Bose particles. In the present paper we show that several puzzling superconductivity properties of chalcogenides, high-temperature cuprate superconductors and fullerides are similar for these three groups of materials and can be naturally explained in the frame of negative-U centers model of superconductivity

  10. Low-loss, submicron chalcogenide integrated photonics with chlorine plasma etching

    Energy Technology Data Exchange (ETDEWEB)

    Chiles, Jeff; Malinowski, Marcin; Rao, Ashutosh [CREOL, The College of Optics and Photonics, University of Central Florida, Orlando, Florida 32816 (United States); Novak, Spencer; Richardson, Kathleen [CREOL, The College of Optics and Photonics, University of Central Florida, Orlando, Florida 32816 (United States); Department of Materials Science and Engineering, COMSET, Clemson University, Clemson, South Carolina 29634 (United States); Fathpour, Sasan, E-mail: fathpour@creol.ucf.edu [CREOL, The College of Optics and Photonics, University of Central Florida, Orlando, Florida 32816 (United States); Department of Electrical Engineering and Computer Science, University of Central Florida, Orlando, Florida 32816 (United States)

    2015-03-16

    A chlorine plasma etching-based method for the fabrication of high-performance chalcogenide-based integrated photonics on silicon substrates is presented. By optimizing the etching conditions, chlorine plasma is employed to produce extremely low-roughness etched sidewalls on waveguides with minimal penalty to propagation loss. Using this fabrication method, microring resonators with record-high intrinsic Q-factors as high as 450 000 and a corresponding propagation loss as low as 0.42 dB/cm are demonstrated in submicron chalcogenide waveguides. Furthermore, the developed chlorine plasma etching process is utilized to demonstrate fiber-to-waveguide grating couplers in chalcogenide photonics with high power coupling efficiency of 37% for transverse-electric polarized modes.

  11. Low-loss, submicron chalcogenide integrated photonics with chlorine plasma etching

    International Nuclear Information System (INIS)

    Chiles, Jeff; Malinowski, Marcin; Rao, Ashutosh; Novak, Spencer; Richardson, Kathleen; Fathpour, Sasan

    2015-01-01

    A chlorine plasma etching-based method for the fabrication of high-performance chalcogenide-based integrated photonics on silicon substrates is presented. By optimizing the etching conditions, chlorine plasma is employed to produce extremely low-roughness etched sidewalls on waveguides with minimal penalty to propagation loss. Using this fabrication method, microring resonators with record-high intrinsic Q-factors as high as 450 000 and a corresponding propagation loss as low as 0.42 dB/cm are demonstrated in submicron chalcogenide waveguides. Furthermore, the developed chlorine plasma etching process is utilized to demonstrate fiber-to-waveguide grating couplers in chalcogenide photonics with high power coupling efficiency of 37% for transverse-electric polarized modes

  12. The role of rare earths in narrow energy gap semiconductors

    International Nuclear Information System (INIS)

    Partin, D.L.; Heremans, J.; Morelli, D.T.; Thrush, C.M.

    1991-01-01

    Narrow energy band gap semiconductors are potentially useful for various devices, including infrared detectors and diode lasers. Rare earth elements have been introduced into lead chalcogenide semiconductors using the molecular beam epitaxy growth process. Europium and ytterbium increase the energy band gap, and nearly lattice-matched heterojunctions have been grown. In some cases, valence changes in the rare earth element cause doping of the alloy. In this paper some initial investigations of the addition of europium to indium antimonide are reported, including the variation of lattice parameter and optical transmission with composition and a negative magnetoresistance effect

  13. Synthesis and Characterization of Novel Transition Metal Chalcogenide Phases for Energy Storage, Energy Conversion and Optoelectronics

    Science.gov (United States)

    Chen, Erica Maxine

    Today's energy needs are primarily provided by fossil fuels, which are harvested from the earth. Consuming fossil fuels to provide energy for civilization releases products into the atmosphere that contribute to climate change. Ongoing efforts to combat the existential crisis which climate change presents many of the emerging and commercialized technologies for solar, thermoelectric and battery applications involve transition metal chalcogenides. Some of the materials used for these applications are expensive and rare, such as gallium, vanadium and indium, or have no merits towards environmental stewardship, such as cadmium and lead. Thus, the purpose of this work is to further the ongoing effort to discover and develop new materials which are able to meet or exceed benchmarks for their application. This work focuses on the development of various metal chalcogenide material systems featuring d-block transition metals selected for their contribution to alter structure and properties. Various thermal, electronic and optical properties can be changed through substitution or doping with additional elements to affect to the base composition or as part of a gradient composition series. After an extensive description of experimental methods which describe the associated materials synthesis, processing and characterization techniques in chapter 2, chapter 3 explores the Cu4-xLixS 2 phases for their contribution as further evidence in the formation of lithiated copper sulfide phases as part of the intercalation reaction before being converted to the binaries copper and lithium sulfide. Chapter 4 documents the development of Cu4TiSe4, a novel material with potential for thin-film photovoltaic technologies with its band gap in the range where the solar spectrum is the most bountiful (Eg,indirect = 1.16 eV, Eg,direct = 1.34 eV), an outstanding optical absorbance ( > 10-4 cm-1) outperforming commercially successful materials in the solar spectrum, and suitable for thin

  14. Theoretical prediction of the structural properties of uranium chalcogenides under high pressure

    Science.gov (United States)

    Kapoor, Shilpa; Yaduvanshi, Namrata; Singh, Sadhna

    2018-05-01

    Uranium chalcogenides crystallize in rock salt structure at normal condition and transform to Cesium Chloride structure at high pressure. We have investigated the transition pressure and volume drop of USe and UTe using three body potential model (TBIP). Present model includes long range Columbic, three body interaction forces and short range overlap forces operative up to next nearest neighbors. We have reported the phase transition pressure, relative volume collapses, the thermo physical properties such as molecular force constant (f), infrared absorption frequency (v0), Debye temperature (θD) and Gruneisen parameter (γ) of present chalcogenides and found that our results in general good agreement with experimental and other theoretical data.

  15. Efficient Mid-Infrared Supercontinuum Generation in Tapered Large Mode Area Chalcogenide Photonic Crystal Fibers

    DEFF Research Database (Denmark)

    Petersen, Christian Rosenberg; Engelsholm, Rasmus Dybbro; Markos, Christos

    2017-01-01

    Mid-infrared supercontinuum spanning from 1.8-9  μm with an output power of 41.5 mW is demonstrated by pumping tapered large mode area chalcogenide photonic crystal fibers using a 4 μm optical parametric source.......Mid-infrared supercontinuum spanning from 1.8-9  μm with an output power of 41.5 mW is demonstrated by pumping tapered large mode area chalcogenide photonic crystal fibers using a 4 μm optical parametric source....

  16. Fabrication and characterization of on-chip optical nonlinear chalcogenide nanofiber devices.

    Science.gov (United States)

    Zhang, Qiming; Li, Ming; Hao, Qiang; Deng, Dinghuan; Zhou, Hui; Zeng, Heping; Zhan, Li; Wu, Xiang; Liu, Liying; Xu, Lei

    2010-11-15

    Chalcogenide (As(2)S(3)) nanofibers as narrow as 200 nm in diameter are drawn by the fiber pulling method, are successfully embedded in SU8 polymer, and form on-chip waveguides and high-Q microknot resonators (Q = 3.9 × 10(4)) with smooth cleaved end faces. Resonance tuning of resonators is realized by localized laser irradiation. Strong supercontinuum generation with a bandwidth of 500 nm is achieved in a 7-cm-long on-chip chalcogenide waveguide. Our result provides a method for the development of compact, high-optical-quality, and robust photonic devices.

  17. Homogeneity and internal defects detect of infrared Se-based chalcogenide glass

    Science.gov (United States)

    Li, Zupana; Wu, Ligang; Lin, Changgui; Song, Bao'an; Wang, Xunsi; Shen, Xiang; Dai, Shixunb

    2011-10-01

    Ge-Sb-Se chalcogenide glasses is a kind of excellent infrared optical material, which has been enviromental friendly and widely used in infrared thermal imaging systems. However, due to the opaque feature of Se-based glasses in visible spectral region, it's difficult to measure their homogeneity and internal defect as the common oxide ones. In this study, a measurement was proposed to observe the homogeneity and internal defect of these glasses based on near-IR imaging technique and an effective measurement system was also constructed. The testing result indicated the method can gives the information of homogeneity and internal defect of infrared Se-based chalcogenide glass clearly and intuitionally.

  18. An overview of the Fe-chalcogenide superconductors

    International Nuclear Information System (INIS)

    Wu, M K; Wen, Y C; Chen, T K; Chang, C C; Wu, P M; Wang, M J; Lin, P H; Lee, W C

    2015-01-01

    This review intends to summarize recent advancements in FeSe and related systems. The FeSe and related superconductors are currently receiving considerable attention for the high critical temperature (T C ) observed and for many similar features to the high T C cuprate superconductors. These similarities suggest that understanding the FeSe-based compounds could potentially help our understanding of the cuprates. We begin the review by presenting common features observed in the FeSe- and FeAs-based systems. Then we discuss the importance of careful control of the material preparation allowing for a systematic structure characterization. With this control, numerous rich phases have been observed. Importantly, we suggest that the Fe-vacancy ordered phases found in the FeSe-based compounds, which are non-superconducting magnetic Mott insulators, are the parent compounds of the superconductors. Superconductivity can emerge from the parent phases by disordering the Fe vacancy order, often by a simple annealing treatment. Then we review physical properties of the Fe chalcogenides, specifically the optical properties and angle-resolved photoemission spectroscopy (ARPES) results. From the literature, strong evidence points to the existence of orbital modification accompanied by a gap-opening, prior to the structural phase transition, which is closely related to the occurrence of superconductivity. Furthermore, strong lattice to spin coupling are important for the occurrence of superconductivity in FeSe. Therefore, it is believed that the iron selenides and related compounds will provide essential information to understand the origin of superconductivity in the iron-based superconductors, and possibly the superconducting cuprates. (topical review)

  19. Mid-infrared performance of single mode chalcogenide fibers

    Science.gov (United States)

    Cook, Justin; Sincore, Alex; Tan, Felix; El Halawany, Ahmed; Riggins, Anthony; Shah, Lawrence; Abouraddy, Ayman F.; Richardson, Martin C.; Schepler, Kenneth L.

    2018-02-01

    Due to the intrinsic absorption edge in silica near 2.4 μm, more exotic materials are required to transmit laser power in the IR such as fluoride or chalcogenide glasses (ChGs). In particular, ChG fibers offer broad IR transmission with low losses fibers at four different infrared wavelengths: 2053 nm, 2520 nm and 4550 nm. Polymer clad ChG fibers were drawn with 12.3 μm and 25 μm core diameters. Testing at 2053 nm was accomplished using a > 15 W, CW Tm:fiber laser. Power handling up to 10.2 W with single mode beam quality has been demonstrated, limited only by the available Tm:fiber output power. Anti-reflective coatings were successfully deposited on the ChG fiber facets, allowing up to 90.6% transmission with 12.2 MW/cm2 intensity on the facet. Single mode guidance at 4550 nm was also demonstrated using a quantum cascade laser (QCL). A custom optical system was constructed to efficiently couple the 0.8 NA QCL radiation into the 0.2 NA ChG fiber, allowing for a maximum of 78% overlap between the QCL radiation and fundamental mode of the fiber. With an AR-coated, 25 μm core diameter fiber, >50 mW transmission was demonstrated with > 87% transmission. Finally, we present results on fiber coupling from a free space Cr:ZnSe resonator at 2520 nm.

  20. 生物活性稀土梯度涂层在碱液环境中的电极化后处理%Electric polarized post treatment of rare earth active bioceramic gradient coating in alkaline solution

    Institute of Scientific and Technical Information of China (English)

    汪震; 刘其斌; 肖明; 杨邦成

    2011-01-01

    To improve the quality of rare earth active bioceramic gradient coatings,a method of electric polarized treatment(PAS) was used to post-process the gradient coatings fabricated by wide band laser cladding in alkali liquid.The phases and corrosion resistance of the bioceramic coatings were analyzed by XRD and an electrochemical analyzer.The bioceramic coatings were immersed in simulated body fluid(SBF) to examine its bioactivity and its electrical charge.The experimental results indicate that PAS treatment not only improves the crystallinity of the coatings,but also is favourable to transform additional phases into hydroxyapatite.PAS treatment exhibits a little effect on corrosion resistance of the bioceramic coatings.Compared with as-received coatings,the coatings treated by PAS are of better bioactivity and more negative charge.%为了改善活性生物稀土梯度涂层的质量,在碱液环境中采用电极化处理法(PAS)对宽带激光熔覆生物活性稀土梯度涂层进行后处理。利用XRD和电化学分析仪对涂层的相组成和耐腐蚀性进行了研究,通过模拟体液浸泡试验考察了生物陶瓷涂层的生物活性和涂层表面的电荷分布情况。结果表明,碱液环境中电极化处理法(PAS)能够提高涂层的结晶度,使涂层中的非晶相、杂相向羟基磷灰石转化。PAS对涂层的耐腐蚀性影响不大。与未处理涂层相比,PAS处理后的涂层生物活性更好,且涂层表面产生了更多的负电荷。

  1. Mechanism for resistive switching in chalcogenide-based electrochemical metallization memory cells

    Directory of Open Access Journals (Sweden)

    Fei Zhuge

    2015-05-01

    Full Text Available It has been reported that in chalcogenide-based electrochemical metallization (ECM memory cells (e.g., As2S3:Ag, GeS:Cu, and Ag2S, the metal filament grows from the cathode (e.g., Pt and W towards the anode (e.g., Cu and Ag, whereas filament growth along the opposite direction has been observed in oxide-based ECM cells (e.g., ZnO, ZrO2, and SiO2. The growth direction difference has been ascribed to a high ion diffusion coefficient in chalcogenides in comparison with oxides. In this paper, upon analysis of OFF state I–V characteristics of ZnS-based ECM cells, we find that the metal filament grows from the anode towards the cathode and the filament rupture and rejuvenation occur at the cathodic interface, similar to the case of oxide-based ECM cells. It is inferred that in ECM cells based on the chalcogenides such as As2S3:Ag, GeS:Cu, and Ag2S, the filament growth from the cathode towards the anode is due to the existence of an abundance of ready-made mobile metal ions in the chalcogenides rather than to the high ion diffusion coefficient.

  2. THz waveguides, devices and hybrid polymer-chalcogenide photonic crystal fibers

    DEFF Research Database (Denmark)

    Bao, Hualong; Markos, Christos; Nielsen, Kristian

    2014-01-01

    In this contribution, we review our recent activities in the design, fabrication and characterization of polymer THz waveguides. Besides the THz waveguides, we finally will also briefly show some of our initial results on a novel hybrid polymer photonic crystal fiber with integrated chalcogenide...

  3. Amorphous chalcogenide semiconductors for solid state dosimetric systems of high-energetic ionizing radiation

    International Nuclear Information System (INIS)

    Shpotyuk, O.

    1997-01-01

    The application possibilities of amorphous chalcogenide semiconductors use as radiation-sensitive elements of high-energetic (E > 1 MeV) dosimetric systems are analysed. It is shown that investigated materials are characterized by more wide region of registered absorbed doses and low temperature threshold of radiation information bleaching in comparison with well-known analogies based on coloring oxide glasses. (author)

  4. Diffusion of Ag ions under random potential barriers in silver-containing chalcogenide glasses

    Czech Academy of Sciences Publication Activity Database

    Stehlík, Štěpán; Shimakawa, K.; Wágner, T.; Frumar, M.

    2012-01-01

    Roč. 45, č. 20 (2012), s. 1-5 ISSN 0022-3727 Institutional research plan: CEZ:AV0Z10100521 Keywords : Ag ion diffusion * chalcogenide glass * Nyquist plots Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.528, year: 2012 http://iopscience.iop.org/0022-3727/45/20/205304/

  5. Neutron diffraction study on the medium and short-range order of ternary chalcogenide glasses

    Czech Academy of Sciences Publication Activity Database

    Neov, S.; Gerasimova, I.; Skordeva, E.; Arsova, D.; Pamukchieva, V.; Mikula, Pavol; Lukáš, Petr; Sonntag, R.

    1999-01-01

    Roč. 34, - (1999), s. 3669-3676 ISSN 0022-2461 R&D Projects: GA ČR GV202/97/K038 Keywords : neutron diffraction * short-range order * chalcogenide glasses Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.786, year: 1999

  6. Generation and Applications of High Average Power Mid-IR Supercontinuum in Chalcogenide Fibers

    OpenAIRE

    Petersen, Christian Rosenberg

    2016-01-01

    Mid-infrared supercontinuum with up to 54.8 mW average power, and maximum bandwidth of 1.77-8.66 μm is demonstrated as a result of pumping tapered chalcogenide photonic crystal fibers with a MHz parametric source at 4 μm

  7. Ammonothermal synthesis of alkali-alkaline earth metal and alkali-rare earth metal carbodiimides. K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}

    Energy Technology Data Exchange (ETDEWEB)

    Mallmann, Mathias; Haeusler, Jonas; Cordes, Niklas; Schnick, Wolfgang [Department of Chemistry, University of Munich (LMU) (Germany)

    2017-12-13

    Alkali-alkaline earth metal and alkali-rare earth metal carbodiimides, namely K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (x = 0 - 1) (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}, were synthesized under ammonothermal conditions in high-pressure autoclaves. The structures of the three compounds can be derived from homeotypic K{sub 5}H(CN{sub 2}){sub 3} and Na{sub 5}H(CN{sub 2}){sub 3} by partial substitution of K{sup +} or Na{sup +}by Sr{sup 2+} or Eu{sup 2+}. The reactions were carried out in two step syntheses (T{sub 1} = 673 K, T{sub 2} = 823 K) starting from sodium or potassium azide, dicyandiamide and strontium or Eu(NH{sub 2}){sub 2}, respectively. The crystal structures were solved and refined from single-crystal X-ray diffraction data [K{sub 4.16}Sr{sub 0.84}(CN{sub 2}){sub 2.84}(HCN{sub 2}){sub 0.16}: space group Im3m (no. 229), a = 7.8304(5) Aa, Z = 2, R{sub 1} = 0.024, wR{sub 2} = 0.052; K{sub 4.40}Eu{sub 0.60}(CN{sub 2}){sub 2.60}(HCN{sub 2}){sub 0.40}: space group Im anti 3m (no. 229), a = 7.8502(6) Aa, Z = 2, R{sub 1} = 0.022, wR{sub 2} = 0.049]. In contrast to the potassium carbodiimides, the sodium-strontium carbodiimide was only synthesized as microcrystalline powder. The crystal structure was determined by powder X-ray diffraction and refined by the Rietveld method [Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}: space group Im3m (no. 229), a = 7.2412(1) Aa, Z = 2, R{sub wp} = 0.050]. The presence of hydrogencyanamide units ([HNCN]{sup -}) next to carbodiimide units ([CN{sub 2}]{sup 2-}) in all compounds was confirmed by FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. How metallic is the binding state of indium hosted by excess-metal chalcogenides in ore deposits?

    Science.gov (United States)

    Ondina Figueiredo, Maria; Pena Silva, Teresa; Oliveira, Daniel; Rosa, Diogo

    2010-05-01

    Discovered in 1863, indium is nowadays a strategic scarce metal used both in classical technologic fields (like low melting-temperature alloys and solders) and in innovative nano-technologies to produce "high-tech devices" by means of new materials, namely liquid crystal displays (LCDs), organic light emitting diodes (OLEDs) and the recently introduced transparent flexible thin-films manufactured with ionic amorphous oxide semiconductors (IAOS). Indium is a typical chalcophile element, seldom forming specific minerals and occurring mainly dispersed within polymetallic sulphides, particularly with excess metal ions [1]. The average content of indium in the Earth's crust is very low but a further increase in its demand is still expected in the next years, thus focusing a special interest in uncovering new exploitation sites through promising polymetallic sulphide ores - e.g., the Iberian Pyrite Belt (IPB) [2] - and in improving recycling technologies. Indium recovery stands mostly on zinc extraction from sphalerite, the natural cubic sulphide which is the prototype of so-called "tetrahedral sulphides" where metal ions fill half of the available tetrahedral sites within the cubic closest packing of sulphur anions where the double of unfilled interstices are available for further in-filling. It is worth remarking that such packing array is particularly suitable for accommodating polymetallic cations by filling closely located interstitial sites [3] as happens in excess-metal tetrahedral sulphides - e.g. bornite, ideally Cu5FeS4, recognized as an In-carrying mineral [4]. Studying the tendency towards In-In interactions able of leading to the formation of polycations would efficiently contribute to understand indium crystal chemistry and the metal binding state in natural chalcogenides. Accordingly, an X-ray absorption near-edge spectroscopy (XANES) study at In L3-edge was undertaken using the instrumental set-up of ID21 beamline at the ESRF (European Synchrotron

  9. Wireless Chalcogenide Nanoionic-Based Radio-Frequency Switch

    Science.gov (United States)

    Nessel, James; Miranda, Felix

    2013-01-01

    A new nonvolatile nanoionic switch is powered and controlled through wireless radio-frequency (RF) transmission. A thin layer of chalcogenide glass doped with a metal ion, such as silver, comprises the operational portion of the switch. For the switch to function, an oxidizable electrode is made positive (anode) with respect to an opposing electrode (cathode) when sufficient bias, typically on the order of a few tenths of a volt or more, is applied. This action causes the metal ions to flow toward the cathode through a coordinated hopping mechanism. At the cathode, a reduction reaction occurs to form a metal deposit. This metal deposit creates a conductive path that bridges the gap between electrodes to turn the switch on. Once this conductive path is formed, no further power is required to maintain it. To reverse this process, the metal deposit is made positive with respect to the original oxidizable electrode, causing the dissolution of the metal bridge thereby turning the switch off. Once the metal deposit has been completely dissolved, the process self-terminates. This switching process features the following attributes. It requires very little to change states (i.e., on and off). Furthermore, no power is required to maintain the states; hence, the state of the switch is nonvolatile. Because of these attributes the integration of a rectenna to provide the necessary power and control is unique to this embodiment. A rectenna, or rectifying antenna, generates DC power from an incident RF signal. The low voltages and power required for the nanoionic switch control are easily generated from this system and provide the switch with a novel capability to be operated and powered from an external wireless device. In one realization, an RF signal of a specific frequency can be used to set the switch into an off state, while another frequency can be used to set the switch to an on state. The wireless, miniaturized, and nomoving- part features of this switch make it

  10. High-efficiency solar cell with earth-abundant liquid-processed absorber

    Energy Technology Data Exchange (ETDEWEB)

    Todorov, Teodor K; Reuter, Kathleen B; Mitzi, David B [IBM T. J. Watson Research Center, Yorktown Heights, NY (United States)

    2010-05-25

    A composite liquid deposition approach merging the concepts of solution and particle-based coating for multinary chalcogenide materials is demonstrated. Photovoltaic absorbers based on earth-abundant Cu-Zn-Sn-S-Se kesterites show exceptional phase purity and are incorporated into solar cells with power conversion efficiency above 9.6%, bringing the state of the art of kesterite photovoltaic materials to a level suitable for possible commercialization. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  11. Nanoscale Device Properties of Tellurium-based Chalcogenide Compounds

    Science.gov (United States)

    Dahal, Bishnu R.

    The great progress achieved in miniaturization of microelectronic devices has now reached a distinct bottleneck, as devices are starting to approach the fundamental fabrication and performance limit. Even if a major breakthrough is made in the fabrication process, these scaled down electronic devices will not function properly since the quantum effects can no longer be neglected in the nanoscale regime. Advances in nanotechnology and new materials are driving novel technologies for future device applications. Current microelectronic devices have the smallest feature size, around 10 nm, and the industry is planning to switch away from silicon technology in the near future. The new technology will be fundamentally different. There are several leading technologies based on spintronics, tunneling transistors, and the newly discovered 2-dimensional material systems. All of these technologies are at the research level, and are far from ready for use in making devices in large volumes. This dissertation will focus on a very promising material system, Te-based chalcogenides, which have potential applications in spintronics, thermoelectricity and topological insulators that can lead to low-power-consumption electronics. Very recently it was predicted and experimentally observed that the spin-orbit interaction in certain materials can lead to a new electronic state called topological insulating phase. The topological insulator, like an ordinary insulator, has a bulk energy gap separating the highest occupied electronic band from the lowest empty band. However, the surface states in the case of a three-dimensional or edge states in a two-dimensional topological insulator allow electrons to conduct at the surface, due to the topological character of the bulk wavefunctions. These conducting states are protected by time-reversal symmetry, and cannot be eliminated by defects or chemical passivation. The edge/surface states satisfy Dirac dispersion relations, and hence the physics

  12. Uranium prospecting in alkaline mountain chimneys of Serra Negra and Salitre - Minas Gerais, Brasil

    International Nuclear Information System (INIS)

    Souza Filho, J.G.C.

    1974-01-01

    The occurence of radioactive minerals such as apatite and pyrochlore, in the alkaline chimneys of Serra Negra and Salitre (Minas Gerais, Brazil), is discussed. Also mentioned are other minerals of interest associated with the alkaline magma such as columbite, fluorite, monazite, zircon, baddeleyite, etc, which in favourable conditions may occur in deposits of great economical value, and which may present high contents of rare earths, thorium and uranium

  13. Effect of certain alkaline metals on Pr doped glasses to investigate spectroscopic studies

    Science.gov (United States)

    Lenkennavar Susheela, K.; Madhu, A.; Eraiah, B.; Kokila, M. K.

    2018-02-01

    Incorporation of different Alkaline earth metal like Barium, Calcium and strontium in sodium lead borate glass doped with Pr3+ is studied. Physical parameters such as density, molar volume, molar refractivity etc have been evaluated. Effect of different atomic size of alkaline metal using optical and physical parameters is analysed. XRD and FTIR were carried out to know the structural behaviour of the glasses. Absorption and Emission spectra are recorded at room temperature and the results were discussed.

  14. Sample preparation in alkaline media

    International Nuclear Information System (INIS)

    Nobrega, Joaquim A.; Santos, Mirian C.; Sousa, Rafael A. de; Cadore, Solange; Barnes, Ramon M.; Tatro, Mark

    2006-01-01

    The use of tetramethylammonium hydroxide, tertiary amines and strongly alkaline reagents for sample treatment involving extraction and digestion procedures is discussed in this review. The preparation of slurries is also discussed. Based on literature data, alkaline media offer a good alternative for sample preparation involving an appreciable group of analytes in different types of samples. These reagents are also successfully employed in tailored speciation procedures wherein there is a critical dependence on maintenance of chemical forms. The effects of these reagents on measurements performed using spectroanalytical techniques are discussed. Several undesirable effects on transport and atomization processes necessitate use of the method of standard additions to obtain accurate results. It is also evident that alkaline media can improve the performance of techniques such as inductively coupled plasma mass spectrometry and accessories, such as autosamplers coupled to graphite furnace atomic absorption spectrometers

  15. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    International Nuclear Information System (INIS)

    Pachmayr, Ursula Elisabeth

    2017-01-01

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe_1_-_xS_x was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li_0_._8Fe_0_._2)OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li_0_._8Fe_0_._2)OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe_4 tetrahedra were found via this synthesis method. The iron selenides A_2Fe_4Se_6 (A = K, Rb, Cs) consist of double chains of [Fe_2Se_3]"1"-, whereas a new compound Na_6(H_2O)_1_8Fe_4Se_8 exhibits [Fe_4Se_8]"6"- 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard to iron-chalcogenide based superconductors this synthesis strategy is encouraging. It seems probable

  16. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pachmayr, Ursula Elisabeth

    2017-04-06

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe{sub 1-x}S{sub x} was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li{sub 0.8}Fe{sub 0.2})OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li{sub 0.8}Fe{sub 0.2})OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe{sub 4} tetrahedra were found via this synthesis method. The iron selenides A{sub 2}Fe{sub 4}Se{sub 6} (A = K, Rb, Cs) consist of double chains of [Fe{sub 2}Se{sub 3}]{sup 1-}, whereas a new compound Na{sub 6}(H{sub 2}O){sub 18}Fe{sub 4}Se{sub 8} exhibits [Fe{sub 4}Se{sub 8}]{sup 6-} 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard

  17. Geology and petrology of Lages Alkaline District, Santa Catarina State

    International Nuclear Information System (INIS)

    Scheibe, L.F.

    1986-01-01

    A 1:100.000 geological map shows the main outcrops, covering about 50 Km 2 , of the leucocratic alkaline rocks, ultra basic alkaline rocks, carbonatites and volcanic breccias which intruded the Gondwanic sedimentary rocks within a short time interval and characterize the Alkaline District of Lages. Chemical analyses of 33 whole-rock samples confirm the petrographic classification, but the agpaitic indexes, mostly below 1.0, do not reflect the mineralogical variations of the leucocratic alkaline rocks adequately. Partial REE analyses indicate that the light as well as the heavy rare earth contents decrease from the basic to the more evolved rocks, the La/Y ratio remaining approximately constant. Eleven new K/Ar ages from porphyritic nepheline syenites porphyritic phonolites, ultra basic alkaline rocks and pipe-breccias, together with six already available ages, show a major concentration in the range 65 to 75 Ma, with a mode at ca. 70 Ma. But one Rb/Sr whole-rock reference isochron diagram gives an age of 82+-6 Ma for the agpaitic phonolites of the Serra Chapada, which are considered younger than the miaskitic porphyriric nepheline syenites. The 87 Sr/ 86 Sr ratios of 0.705-0.706 are compatible with a sub continental mantelic origin, devoid of crustal contamination. A petrogenetic model based on subtraction diagrams and taking into consideration the geologic, petrographic, mineralogic and petrochemical characteristics of the alkaline rocks of Lages consists of limited partial melting with CO 2 , contribution of the previously metasomatized upper mantle, in a region submitted to decompression. (author)

  18. Cation colloidal particles in alkaline-earth halides

    Energy Technology Data Exchange (ETDEWEB)

    Alcala, R; Orera, V M [Zaragoza Univ. (Spain). Facultad da Ciencias

    1976-01-01

    The formation of calcium, strontium and barium colloids both in heavily electron irradiated samples and in additively colored crystals of CaF/sub 2/, SrF/sub 2/ and BaF/sub 2/ has been investigated. Detailed data on the temperature dependence of the efficiency of colloid formation by irradiation have been obained. The growth of metallic particles in additively colored samples containing F and M centers has been studied for different color center concentrations and annealing temperatures. The optical absorption bands due to metallic colloids have been calculated using the theory of Mie. To take account of the pressure exerted by the matrix on the metallic particles several corrections to the optical constants of the metals have been introduced. A good agreement between theoretical calculations and experimental results has been obtained. The evolution of colloids along several thermal annealing experiments has also been investigated. A diffusion-limited model has been used which accounts for the dependence of the colloid radii with the annealing time.

  19. Dynamics of simple defect clusters in alkaline earth fluorides

    International Nuclear Information System (INIS)

    Haridasan, T.M.; Sekar, P.

    1988-08-01

    The effect of isolated F - vacancies and interstitials on the Dobye Waller Factors of their neighbours is studied. The perturbation due to the introduction of the defect is calculated using the scattering theory. The critical jump amplitude in the diffusion process is fitted to reproduce the experimental migration energy. The diffusion coefficient for the vacancy mechanism is estimated to be larger than that for the interstitialcy mechanism in the superionic region. (author). 21 refs, 8 figs, 2 tabs

  20. Syntheses and Structural Characterization of the Alkaline Earth and ...

    Indian Academy of Sciences (India)

    dell

    checkCIF/PLATON report. You have not supplied any structure factors. As a result the full set of tests cannot be run. THIS REPORT IS FOR GUIDANCE ONLY. IF USED AS PART OF A REVIEW PROCEDURE. FOR PUBLICATION, IT SHOULD NOT REPLACE THE EXPERTISE OF AN EXPERIENCED. CRYSTALLOGRAPHIC ...

  1. Synthesis of complex plutonium oxides with alkaline-earth metals

    International Nuclear Information System (INIS)

    Suzuki, Yasufumi; Nakajima, Kunihisa; Iwai, Takashi; Ohmichi, Toshihiko; Yamawaki, Michio.

    1995-03-01

    Complex plutonium(IV) oxides with strontium and barium, SuPuO 3 and BaPuO 3 , were synthesized and their crystal structure was analyzed. Compacted mixture of plutonium dioxide powder and the carbonate of strontium or barium was heated in a stream of argon gas using a cell with a small orifice. The products obtained were found to be composed of a nearly single phase showing the structure of orthorhombic slightly distorted from cubic. (author)

  2. Correlates of long-term alkaline earth retention

    International Nuclear Information System (INIS)

    Stebbings, J.H.; Schlenker, R.A.; Keane, A.T.; Kotek, T.J.; Jansen, A.J.

    1987-01-01

    Data on 63 subjects from several occupational cohorts, plus iatrogenic subjects, were analyzed to determine effects of sex, age at exposure, exposure duration, and age at measurement upon the coefficient of elimination (λ, % y -1 ). While 12 women exposed at age 17-18 had λ's significantly lower than those exposed at ages 15-16 or 21-26, λ showed no overall trend with age at exposure among females. Higher radium burdens associated with bone damage are associated with decreased λ's, but neither exposure duration nor age at measurement correlated significantly with λ. The 12 males had λ's about 60% of those for females after adjustment for retention time. The males λ's were lower the earlier the age at exposure. Effects of personal habits were studied in a homogeneous cohort of female Illinois dial painters with relatively uniform ages at first employment. The most powerful predictor of radium loss was the number of cups of coffee and tea consumed per day. Coffee/tea consumption explained ∼ 35% of the variance in λ, the effect persisting after deletion of smokers and subjects with x-ray evidence of bone damage. Higher weight/height ratios were associated with higher λ's. Individuals smoking throughout the measurement period had significantly low λ's. A complex interaction of weight/height ratios to both smoking and radium-induced bone damage was observed

  3. Positronium hydride defects in thermochemically reduced alkaline-Earth oxides

    International Nuclear Information System (INIS)

    Monge, M.A.; Pareja, R.; Gonzalez, R.; Chen, Y.

    1997-01-01

    Thermochemical reduction of both hydrogen-doped MgO and CaO single crystals results in large concentrations of hydride (H - ) ions. In MgO crystals, positron lifetime and Doppler broadening experiments show that positrons are trapped at H - centers forming positronium hydride molecules [e + - H - ]. A value of 640 ps is obtained for the lifetime of the PsH states located in an anion vacancy In MgO positrons are also trapped at H 2- sites at low temperatures. The H 2- ions were induced in the crystals by blue light illumination. The formation of PsH states in CaO could not be conclusively established. (orig.)

  4. Synthesis and Characterization of Some Alkaline-Earth-Oxide Nanoparticles

    Science.gov (United States)

    Singh, Jitendra Pal; Lim, Weon Cheol; Won, Sung Ok; Song, Jonghan; Chae, Keun Hwa

    2018-04-01

    The present work reports the synthesis of MgO and CaO nanoparticles by using the sol-gel autocombustion method. The annealing of the precursor at 1200 °C was observed to lead the formation of MgO nanoparticles having average crystallite size of 31 nm. Annealing the precursor at same temperature produced materials having a CaO phase with a minor impure phase of calcium carbonate ( 3%). The crystallite size corresponding to the CaO phase was 38 nm. A change of thermal history in the precursor was observed not to result in an improvement of the CaO phase. The change of thermal history in the precursor gave rise to mixed phases of CaCO3 and Ca(OH)2 rather than the phase of CaO. Further, annealing at 1200 °C for 12 h resulted in the formation of the CaO phase along with almost 1 - 5% of calcium hydroxide as an impurity phase. X-ray absorption spectroscopic measurements carried out on these materials revealed that the local electronic/atomic structure of these oxides was not only affected by the impurity phases but also influenced by the carbaneous impurities attached to the crystallites.

  5. New half-metallic materials with an alkaline earth element

    International Nuclear Information System (INIS)

    Kusakabe, Koichi; Geshi, Masaaki; Tsukamoto, Hidekazu; Suzuki, Naoshi

    2004-01-01

    New candidates for half-metallic materials were theoretically designed recently by Geshi et al. The materials are calcium pnictides, i.e. CaP, CaAs and CaSb. When the zinc-blende structure was assumed, these compounds showed half-metallic electronic band-structure, in which a curious flat band was found. To explain this magnetism, we investigated characters of orbitals on this flat band of CaAs. The hybridization of p states of As with d states of Ca is shown to be essential for formation of a flat band made of localized orbitals. The appearance of complete spin polarization in the flat band suggests that the flat-band mechanism is relevant for the ferromagnetism. A connection from the first-principles result to a solvable Hubbard model with a flat band is discussed

  6. Destructive Adsorption of Carbon Tetrachloride on Alkaline Earth Metal Oxides

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Mestl, Gerhard; Rosynek, Michael P.; Krawietz, Thomas R.; Haw, James F.; Lunsford, Jack H.

    1998-01-01

    The destructive adsorption of CCl4 on MgO, CaO, SrO, and BaO has been studied as a function of the reaction temperature and the amount of CCl4 injected. The reaction was followed using in situ Raman spectroscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and 13 C

  7. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. The metal carbonate, MCO3 (M = Ca, Sr and Ba), was synthesized by a novel method of reacting aqueous solution of each of Ca2+, Sr2+ and Ba2+ salts with urea at high temperature, ~ 80°C. The reaction products were characterized through elemental analysis and infrared spectra. The infrared spectra of the.

  8. Synthesis and infrared spectra of alkaline earth metal carbonates

    Indian Academy of Sciences (India)

    The metal carbonate, MCO3 (M = Ca, Sr and Ba), was synthesized by a novel method of reacting aqueous solution of each of Ca2+, Sr2+ and Ba2+ salts with urea at high temperature, ∼ 80°C. The reaction products were characterized through elemental analysis and infrared spectra. The infrared spectra of the products are ...

  9. When can ocean acidification impacts be detected from decadal alkalinity measurements?

    Science.gov (United States)

    Carter, B. R.; Frölicher, T. L.; Dunne, J. P.; Rodgers, K. B.; Slater, R. D.; Sarmiento, J. L.

    2016-04-01

    We use a large initial condition suite of simulations (30 runs) with an Earth system model to assess the detectability of biogeochemical impacts of ocean acidification (OA) on the marine alkalinity distribution from decadally repeated hydrographic measurements such as those produced by the Global Ship-Based Hydrographic Investigations Program (GO-SHIP). Detection of these impacts is complicated by alkalinity changes from variability and long-term trends in freshwater and organic matter cycling and ocean circulation. In our ensemble simulation, variability in freshwater cycling generates large changes in alkalinity that obscure the changes of interest and prevent the attribution of observed alkalinity redistribution to OA. These complications from freshwater cycling can be mostly avoided through salinity normalization of alkalinity. With the salinity-normalized alkalinity, modeled OA impacts are broadly detectable in the surface of the subtropical gyres by 2030. Discrepancies between this finding and the finding of an earlier analysis suggest that these estimates are strongly sensitive to the patterns of calcium carbonate export simulated by the model. OA impacts are detectable later in the subpolar and equatorial regions due to slower responses of alkalinity to OA in these regions and greater seasonal equatorial alkalinity variability. OA impacts are detectable later at depth despite lower variability due to smaller rates of change and consistent measurement uncertainty.

  10. Pulsed laser deposited amorphous chalcogenide and alumino-silicate thin films and their multilayered structures for photonic applications

    Energy Technology Data Exchange (ETDEWEB)

    Němec, P. [Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic); Charrier, J. [FOTON, UMR CNRS 6082, Enssat, 6 rue de Kerampont, BP 80518, 22305 Lannion (France); Cathelinaud, M. [Missions des Ressources et Compétences Technologiques, UPS CNRS 2274, 92195 Meudon (France); Allix, M. [CEMHTI-CNRS, Site Haute Température, Orléans (France); Adam, J.-L.; Zhang, S. [Equipe Verres et Céramiques, UMR-CNRS 6226, Sciences Chimiques de Rennes (SCR), Université de Rennes 1, 35042 Rennes Cedex (France); Nazabal, V., E-mail: virginie.nazabal@univ-rennes1.fr [Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic); Equipe Verres et Céramiques, UMR-CNRS 6226, Sciences Chimiques de Rennes (SCR), Université de Rennes 1, 35042 Rennes Cedex (France)

    2013-07-31

    Amorphous chalcogenide and alumino-silicate thin films were fabricated by the pulsed laser deposition technique. Prepared films were characterized in terms of their morphology, chemical composition, and optical properties. Multilayered thin film stacks for reflectors and vertical microcavities were designed for telecommunication wavelength and the window of atmosphere transparency (band II) at 1.54 μm and 4.65 μm, respectively. Bearing in mind the benefit coming from the opportunity of an efficient wavelength tuning or, conversely, to stabilize the photoinduced effects in chalcogenide films as well as to improve their mechanical properties and/or their chemical durability, several pairs of materials from pure chalcogenide layers to chalcogenide/oxide layers were investigated. Different layer stacks were fabricated in order to check the compatibility between dissimilar materials which can have a strong influence on the interface roughness, adhesion, density, and homogeneity, for instance. Three different reflector designs were formulated and tested including all-chalcogenide layers (As{sub 40}Se{sub 60}/Ge{sub 25}Sb{sub 5}S{sub 70}) and mixed chalcogenide-oxide layers (As{sub 40}Se{sub 60}/alumino-silicate and Ga{sub 10}Ge{sub 15}Te{sub 75}/alumino-silicate). Prepared multilayers showed good compatibility between different material pairs deposited by laser ablation despite the diversity of chemical compositions. As{sub 40}Se{sub 60}/alumino-silicate reflector showed the best parameters; its stop band (R > 97% at 8° off-normal incidence) has a bandwidth of ∼ 100 nm and it is centered at 1490 nm. The quality of the different mirrors developed was good enough to try to obtain a microcavity structure for the 1.5 μm telecommunication wavelength made of chalcogenide layers. The microcavity structure consists of Ga{sub 5}Ge{sub 20}Sb{sub 10}S{sub 65} (doped with 5000 ppm of Er{sup 3+}) spacer surrounded by two 10-layer As{sub 40}Se{sub 60}/Ge{sub 25}Sb{sub 5}S{sub 70

  11. PURIFICATION AND CHARACTERISATION OF ALKALINE ...

    African Journals Online (AJOL)

    Prof. Adipala Ekwamu

    There was no clear decrease in the yield seen in the bands and the loss of enzyme was not observed with the gel analysis. It may ... The native gel results show clear distinct bands for the 3 alkaline phosphotase isoenzymes ..... British Medical.

  12. Prediction of free-volume-type correlations in glassy chalcogenides from positron annihilation lifetime measurements

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Ingram, A.; Shpotyuk, M.; Filipecki, J.

    2014-01-01

    Highlights: • Decisive role of specific chemical environment in free-volume correlations in glass. • Realistic free volumes in As–S/Se glass are defined by newly modified τ 2 -R formula. • Overestimated void sizes in chalcogenide glass as compared with molecular polymers. - Abstract: A newly modified correlation equation between defect-related positron lifetime determined within two-state trapping model and radius of corresponding free-volume-type defects was proposed to describe compositional variations in atomic-deficient structure of covalent-bonded chalcogenides like binary As–S/Se glasses. Specific chemical environment of free-volume voids around neighboring network-forming polyhedrons was shown to play a decisive role in this correlation, leading to systematically enhanced volumes in comparison with typical molecular substrates, such as polymers

  13. Prediction of free-volume-type correlations in glassy chalcogenides from positron annihilation lifetime measurements

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O., E-mail: shpotyuk@novas.lviv.ua [Institute of Materials of SRC “Carat”, 212 Stryjska Str., Lviv 79031 (Ukraine); Institute of Physics of Jan Dlugosz University, 13/15 al. Armii Krajowej, Czestcochowa 42200 (Poland); Ingram, A. [Opole University of Technology, 75 Ozimska Str., Opole 45370 (Poland); Shpotyuk, M. [Institute of Materials of SRC “Carat”, 212 Stryjska Str., Lviv 79031 (Ukraine); Lviv Polytechnic National University, 12 Bandery Str., Lviv 79013 (Ukraine); Filipecki, J. [Institute of Physics of Jan Dlugosz University, 13/15 al. Armii Krajowej, Czestcochowa 42200 (Poland)

    2014-11-01

    Highlights: • Decisive role of specific chemical environment in free-volume correlations in glass. • Realistic free volumes in As–S/Se glass are defined by newly modified τ{sub 2}-R formula. • Overestimated void sizes in chalcogenide glass as compared with molecular polymers. - Abstract: A newly modified correlation equation between defect-related positron lifetime determined within two-state trapping model and radius of corresponding free-volume-type defects was proposed to describe compositional variations in atomic-deficient structure of covalent-bonded chalcogenides like binary As–S/Se glasses. Specific chemical environment of free-volume voids around neighboring network-forming polyhedrons was shown to play a decisive role in this correlation, leading to systematically enhanced volumes in comparison with typical molecular substrates, such as polymers.

  14. Photoinduced Operation by Absorption of the Chalcogenide Nanocrystallite Containing Solar Cells

    Directory of Open Access Journals (Sweden)

    Elnaggar A.M.

    2016-12-01

    Full Text Available It is shown that for the solar cells containing chalcogenide nanocrystallites using external laser light, one can achieve some enhancement of the photovoltaic efficiency. Photoinduced treatment was carried out using two beams of splitted Er: glass laser operating at 1.54 μm. The light of the laser was incident at different angles and the angles between the beams also were varied. Also, the studies of nanocomposite effective structures have shown enhancement of effective nanocrystalline sizes during the laser treatment. Nanocrystallites of CuInS2 and CuZnSnS4 (CZTS were used as chalcogenide materials. The optimization of the laser beam intensities and nanoparticle sizes were explored.

  15. Locally formation of Ag nanoparticles in chalcogenide phase change thin films induced by nanosecond laser pulses

    International Nuclear Information System (INIS)

    Huang, Huan; Zhang, Lei; Wang, Yang; Han, Xiaodong; Wu, Yiqun; Zhang, Ze; Gan, Fuxi

    2012-01-01

    A simple method to optically synthesize Ag nanoparticles in Ge 2 Sb 2 Te 5 phase change matrix is described. The fine structures of the locally formed phase change chalcogenide nanocomposite are characterized by high-resolution transmission electron microscopy. The formation mechanism of the nanocomposite is discussed with temperature evolution and distribution simulations. This easy-prepared metal nano-particle-embedded phase change microstructure will have great potential in nanophotonics applications, such as for plasmonic functional structures. This also provides a generalized approach to the preparation of well-dispersed nanoparticle-embedded composite thin films in principle. -- Highlights: ► We describe a method to prepare chalcogenide microstructures with Ag nanoparticles. ► We give the fine structural images of phase change nanocomposites. ► We discuss the laser-induced fusion mechanism by temperature simulation. ► This microstructure will have great potential in nanophotonics applications.

  16. Alkaline resistant ceramics; Alkalimotstaandskraftiga keramer

    Energy Technology Data Exchange (ETDEWEB)

    Westberg, Stig-Bjoern [Vattenfall Utveckling AB, Aelvkarleby (Sweden)

    2001-02-01

    Despite durability in several environments, ceramics and refractories can not endure alkaline environments at high temperature. An example of such an environment is when burning biofuel in modern heat and power plants in which the demand for increasing efficiency results in higher combustion temperatures and content of alkaline substances in the flue gas. Some experiences of these environments has been gained from such vastly different equipment as regenerator chambers in the glass industry and MHD-generators. The grains of a ceramic material are usually bonded together by a glassy phase which despite it frequently being a minor constituent render the materials properties and limits its use at elevated temperature. The damage is usually caused by alkaline containing low-melting phases and the decrease of the viscosity of the bonding glass phase which is caused by the alkaline. The surfaces which are exposed to the flue gas in a modern power plant are not only exposed to the high temperature but also a corroding and eroding, particle containing, gas flow of high velocity. The use of conventional refractory products is limited to 1300-1350 deg C. Higher strength and fracture toughness as well as durability against gases, slag and melts at temperatures exceeding 1700 deg C are expected of the materials of the future. Continuous transport of corrosive compounds to the surface and corrosion products from the surface as well as a suitable environment for the corrosion to occur in are prerequisites for extensive corrosion to come about. The highest corrosion rate is therefore found in a temperature interval between the dew point and the melting point of the alkaline-constituent containing compound. It is therefore important that the corrosion resistance is sufficient in the environment in which alkaline containing melts or slag may appear. In environments such as these, even under normal circumstances durable ceramics, such as alumina and silicon carbide, are attacked

  17. ZnO and copper indium chalcogenide heterojunctions prepared by inexpensive methods

    International Nuclear Information System (INIS)

    Berruet, M.; Di Iorio, Y.; Troviano, M.; Vázquez, M.

    2014-01-01

    Solution-based techniques were used to prepare ZnO/CuIn(Se, S) 2 heterojunctions that serve as solar cell prototypes. A duplex layer of ZnO (compact + porous) was electrodeposited. Chalcogenide thin films were deposited using successive ionic layer adsorption and reaction method (SILAR). By subsequent thermal treatments in two different atmospheres, CuInSe 2 (CISe) and CuInSe 2−x S x (CISeS) were obtained. The composition and morphology of the annealed films were characterized by GXRD, micro-Raman spectroscopy and SEM. Devices prepared with CISe and CISeS show a clear photo-response. The introduction of a buffer layer of TiO 2 into the ZnO/chalcogenide interface was necessary to detect photocurrent. The presence of CISeS improves the response of the cell, with higher values of short circuit current density, open circuit potential and fill factor. These promising results show that it is possible to prepare photovoltaic heterojunctions by depositing chalcogenides onto porous ZnO substrates using low-cost solution-based techniques. - Highlights: • Heterojunctions that serve as solar cell prototypes were prepared using solution-based techniques. • The devices comprised a double layer of ZnO and CuInSe 2 or CuInSe 0.4 S 1.6 . • A TiO 2 buffer layer in the ZnO/chalcogenide interface is necessary to detect photocurrent. • The incorporation of S improved the response of the photovoltaic heterojunction

  18. Interfacial scanning tunneling spectroscopy (STS) of chalcogenide/metal hybrid nanostructure

    Energy Technology Data Exchange (ETDEWEB)

    Saad, Mahmoud M.; Abdallah, Tamer [Physics Department, Faculty of Science, Ain Shams University, Abbassia, Cairo (Egypt); Easawi, Khalid; Negm, Sohair [Department of Physics and Mathematics, Faculty of Engineering (Shoubra), Benha University (Egypt); Talaat, Hassan, E-mail: hassantalaat@hotmail.com [Physics Department, Faculty of Science, Ain Shams University, Abbassia, Cairo (Egypt)

    2015-05-15

    Graphical abstract: - Highlights: • Comparing band gaps values obtained optically with STS. • Comparing direct imaging with calculated dimensions. • STS determination of the interfacial band bending of metal/chalcogenide. - Abstract: The electronic structure at the interface of chalcogenide/metal hybrid nanostructure (CdSe–Au tipped) had been studied by UHV scanning tunneling spectroscopy (STS) technique at room temperature. This nanostructure was synthesized by a phase transfer chemical method. The optical absorption of this hybrid nanostructure was recorded, and the application of the effective mass approximation (EMA) model gave dimensions that were confirmed by the direct measurements using the scanning tunneling microscopy (STM) as well as the high-resolution transmission electron microscope (HRTEM). The energy band gap obtained by STS agrees with the values obtained from the optical absorption. Moreover, the STS at the interface of CdSe–Au tipped hybrid nanostructure between CdSe of size about 4.1 ± 0.19 nm and Au tip of size about 3.5 ± 0.29 nm shows a band bending about 0.18 ± 0.03 eV in CdSe down in the direction of the interface. Such a result gives a direct observation of the electron accumulation at the interface of CdSe–Au tipped hybrid nanostructure, consistent with its energy band diagram. The presence of the electron accumulation at the interface of chalcogenides with metals has an important implication for hybrid nanoelectronic devices and the newly developed plasmon/chalcogenide photovoltaic solar energy conversion.

  19. Radiation-induced defects in chalcogenide glasses characterized by combined optical spectroscopy, XPS and PALS methods

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Kovalskiy, A.; Jain, H.; Golovchak, R.; Zurawska, A.

    2007-01-01

    Temperature-dependent optical absorption spectroscopy, high-resolution X-ray photoelectron spectroscopy and positron annihilation lifetimes spectroscopy are utilized to understand radiation-induced changes in Ge-Sb-S chalcogenide glasses. Theoretically predicted topological scheme of γ-induced coordination defect formation in stoichiometric Ge 23.5 Sb 11.8 S 64.7 glass composition is supported by these measurements. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Amorphous chalcogenide semiconductors for solid state dosimetric systems of high-energetic ionizing radiation

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Pedagogical University, Czestochowa (Poland)]|[Institute of Materials, Lvov (Ukraine)

    1997-12-31

    The application possibilities of amorphous chalcogenide semiconductors use as radiation-sensitive elements of high-energetic (E > 1 MeV) dosimetric systems are analysed. It is shown that investigated materials are characterized by more wide region of registered absorbed doses and low temperature threshold of radiation information bleaching in comparison with well-known analogies based on coloring oxide glasses. (author). 16 refs, 1 tab.

  1. New functionality of chalcogenide glasses for radiation sensing of nuclear wastes

    International Nuclear Information System (INIS)

    Ailavajhala, M.S.; Gonzalez-Velo, Y.; Poweleit, C.D.; Barnaby, H.J.; Kozicki, M.N.; Butt, D.P.; Mitkova, M.

    2014-01-01

    Highlights: • Study of thin film chalcogenide glasses under gamma radiation and a proposed radiation sensor design. • Structural changes were observed at various radiation doses. • Formation of Ag 2 Se in Se depleted glasses with sufficient radiation dose. • In conventional semiconductor chip environment, the proposed sensor has a linear current vs. dose behavior up to 600 J/cm 2 . - Abstract: Data about gamma radiation induced effects in Ge 40 Se 60 chalcogenide thin films and radiation induced silver diffusion within these are presented. Blanket films and devices were created to study the structural changes, diffusion products, and device performance. Raman spectroscopy, X-ray diffraction, current vs. voltage (I–V) and impedance measurements expound the behavior of Ge 40 Se 60 glass and silver diffusion within this glass under radiation. Raman study shows that there is a decrease in the area ratio between edge shared and corner shared structural units revealing structural reorganization occurring in the glasses as a result of gamma radiation. X-ray diffraction studies revealed that with sufficiently radiation dose it is also possible to create Ag 2 Se in selenium-depleted systems. Oxidation of the Ge enriched chalcogenide backbone is confirmed through the electrical performance of the sensing elements based on these films. Combination of these structural and diffusion products influences the device performance. The I–V behavior is characterized by increase in current and then stabilization as a function of radiation dose. Additionally, device modeling is also presented using Silvaco software and analytical methods to shed light on the device behavior. This type of sensor design and material characterizations facilitate in improving the radiation sensing capabilities of silver containing chalcogenide glass thin films

  2. New functionality of chalcogenide glasses for radiation sensing of nuclear wastes

    Energy Technology Data Exchange (ETDEWEB)

    Ailavajhala, M.S., E-mail: m.ailavajhala@gmail.com [Department of Electrical and Computer Engineering, Boise State University, Boise, ID 83725 (United States); Gonzalez-Velo, Y. [School of Electrical, Computer and Energy Engineering, Arizona State University, Tempe, AZ 85287-5706 (United States); Poweleit, C.D. [Department of Physics, Arizona State University, Tempe, AZ 85287-5706 (United States); Barnaby, H.J.; Kozicki, M.N. [School of Electrical, Computer and Energy Engineering, Arizona State University, Tempe, AZ 85287-5706 (United States); Butt, D.P. [Department of Materials Science and Engineering, Boise State University, Boise, ID 83725 (United States); Mitkova, M., E-mail: maheshailavajhala@u.boisestate.edu [Department of Electrical and Computer Engineering, Boise State University, Boise, ID 83725 (United States)

    2014-03-01

    Highlights: • Study of thin film chalcogenide glasses under gamma radiation and a proposed radiation sensor design. • Structural changes were observed at various radiation doses. • Formation of Ag{sub 2}Se in Se depleted glasses with sufficient radiation dose. • In conventional semiconductor chip environment, the proposed sensor has a linear current vs. dose behavior up to 600 J/cm{sup 2}. - Abstract: Data about gamma radiation induced effects in Ge{sub 40}Se{sub 60} chalcogenide thin films and radiation induced silver diffusion within these are presented. Blanket films and devices were created to study the structural changes, diffusion products, and device performance. Raman spectroscopy, X-ray diffraction, current vs. voltage (I–V) and impedance measurements expound the behavior of Ge{sub 40}Se{sub 60} glass and silver diffusion within this glass under radiation. Raman study shows that there is a decrease in the area ratio between edge shared and corner shared structural units revealing structural reorganization occurring in the glasses as a result of gamma radiation. X-ray diffraction studies revealed that with sufficiently radiation dose it is also possible to create Ag{sub 2}Se in selenium-depleted systems. Oxidation of the Ge enriched chalcogenide backbone is confirmed through the electrical performance of the sensing elements based on these films. Combination of these structural and diffusion products influences the device performance. The I–V behavior is characterized by increase in current and then stabilization as a function of radiation dose. Additionally, device modeling is also presented using Silvaco software and analytical methods to shed light on the device behavior. This type of sensor design and material characterizations facilitate in improving the radiation sensing capabilities of silver containing chalcogenide glass thin films.

  3. ZnO and copper indium chalcogenide heterojunctions prepared by inexpensive methods

    Energy Technology Data Exchange (ETDEWEB)

    Berruet, M., E-mail: berruetm@gmail.com [División Electroquímica y Corrosión, Facultad de Ingeniería, INTEMA, CONICET, Universidad Nacional de Mar del Plata, Juan B. Justo 4302, B7608FDQ Mar del Plata (Argentina); Di Iorio, Y. [División Electroquímica y Corrosión, Facultad de Ingeniería, INTEMA, CONICET, Universidad Nacional de Mar del Plata, Juan B. Justo 4302, B7608FDQ Mar del Plata (Argentina); Troviano, M. [Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas (PROBIEN, CONICET-UNCo), Buenos Aires 1400, Q8300IBX Neuquén (Argentina); Vázquez, M. [División Electroquímica y Corrosión, Facultad de Ingeniería, INTEMA, CONICET, Universidad Nacional de Mar del Plata, Juan B. Justo 4302, B7608FDQ Mar del Plata (Argentina)

    2014-12-15

    Solution-based techniques were used to prepare ZnO/CuIn(Se, S){sub 2} heterojunctions that serve as solar cell prototypes. A duplex layer of ZnO (compact + porous) was electrodeposited. Chalcogenide thin films were deposited using successive ionic layer adsorption and reaction method (SILAR). By subsequent thermal treatments in two different atmospheres, CuInSe{sub 2} (CISe) and CuInSe{sub 2−x}S{sub x} (CISeS) were obtained. The composition and morphology of the annealed films were characterized by GXRD, micro-Raman spectroscopy and SEM. Devices prepared with CISe and CISeS show a clear photo-response. The introduction of a buffer layer of TiO{sub 2} into the ZnO/chalcogenide interface was necessary to detect photocurrent. The presence of CISeS improves the response of the cell, with higher values of short circuit current density, open circuit potential and fill factor. These promising results show that it is possible to prepare photovoltaic heterojunctions by depositing chalcogenides onto porous ZnO substrates using low-cost solution-based techniques. - Highlights: • Heterojunctions that serve as solar cell prototypes were prepared using solution-based techniques. • The devices comprised a double layer of ZnO and CuInSe{sub 2} or CuInSe{sub 0.4}S{sub 1.6}. • A TiO{sub 2} buffer layer in the ZnO/chalcogenide interface is necessary to detect photocurrent. • The incorporation of S improved the response of the photovoltaic heterojunction.

  4. Trends in oxygen reduction and methanol activation on transition metal chalcogenides

    DEFF Research Database (Denmark)

    Tritsaris, Georgios; Nørskov, Jens Kehlet; Rossmeisl, Jan

    2011-01-01

    We use density functional theory calculations to study the oxygen reduction reaction and methanol activation on selenium and sulfur-containing transition metal surfaces. With ruthenium selenium as a starting point, we study the effect of the chalcogen on the activity, selectivity and stability...... of the catalyst. Ruthenium surfaces with moderate content of selenium are calculated active for the oxygen reduction reaction, and insensitive to methanol. A significant upper limit for the activity of transition metal chalcogenides is estimated....

  5. High Cost/High Risk Components to Chalcogenide Molded Lens Model: Molding Preforms and Mold Technology

    Energy Technology Data Exchange (ETDEWEB)

    Bernacki, Bruce E.

    2012-10-05

    This brief report contains a critique of two key components of FiveFocal's cost model for glass compression molding of chalcogenide lenses for infrared applications. Molding preforms and mold technology have the greatest influence on the ultimate cost of the product and help determine the volumes needed to select glass molding over conventional single-point diamond turning or grinding and polishing. This brief report highlights key areas of both technologies with recommendations for further study.

  6. Large magnetoresistance in non-magnetic silver chalcogenides and new class of magnetoresistive compounds

    Science.gov (United States)

    Saboungi, Marie-Louis; Price, David C. L.; Rosenbaum, Thomas F.; Xu, Rong; Husmann, Anke

    2001-01-01

    The heavily-doped silver chalcogenides, Ag.sub.2+.delta. Se and Ag.sub.2+.delta. Te, show magnetoresistance effects on a scale comparable to the "colossal" magnetoresistance (CMR) compounds. Hall coefficient, magnetoconductivity, and hydrostatic pressure experiments establish that elements of narrow-gap semiconductor physics apply, but both the size of the effects at room temperature and the linear field dependence down to fields of a few Oersteds are surprising new features.

  7. Case studies on the formation of chalcogenide self-assembled monolayers on surfaces and dissociative processes

    Directory of Open Access Journals (Sweden)

    Yongfeng Tong

    2016-02-01

    Full Text Available This report examines the assembly of chalcogenide organic molecules on various surfaces, focusing on cases when chemisorption is accompanied by carbon–chalcogen atom-bond scission. In the case of alkane and benzyl chalcogenides, this induces formation of a chalcogenized interface layer. This process can occur during the initial stages of adsorption and then, after passivation of the surface, molecular adsorption can proceed. The characteristics of the chalcogenized interface layer can be significantly different from the metal layer and can affect various properties such as electron conduction. For chalcogenophenes, the carbon–chalcogen atom-bond breaking can lead to opening of the ring and adsorption of an alkene chalcogenide. Such a disruption of the π-electron system affects charge transport along the chains. Awareness about these effects is of importance from the point of view of molecular electronics. We discuss some recent studies based on X-ray photoelectron spectroscopy that shed light on these aspects for a series of such organic molecules.

  8. 2D Metal Chalcogenides Incorporated into Carbon and their Assembly for Energy Storage Applications.

    Science.gov (United States)

    Deng, Zongnan; Jiang, Hao; Li, Chunzhong

    2018-05-01

    2D metal chalcogenides have become a popular focus in the energy storage field because of their unique properties caused by their single-atom thicknesses. However, their high surface energy and van der Waals attraction easily cause serious stacking and restacking, leading to the generation of more inaccessible active sites with rapid capacity fading. The hybridization of 2D metal chalcogenides with highly conductive materials, particularly, incorporating ultrasmall and few-layered metal chalcogenides into carbon frameworks, can not only maximize the exposure of active sites but also effectively avoid their stacking and aggregation during the electrochemical reaction process. Therefore, a satisfactory specific capacity will be achieved with a long cycle life. In this Concept, the representative progress on such intriguing nanohybrids and their applications in energy storage devices are mainly summarized. Finally, an outlook of the future development and challenges of such nanohybrids for achieving an excellent energy storage capability is also provided. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. New functionality of chalcogenide glasses for radiation sensing of nuclear wastes.

    Science.gov (United States)

    Ailavajhala, M S; Gonzalez-Velo, Y; Poweleit, C D; Barnaby, H J; Kozicki, M N; Butt, D P; Mitkova, M

    2014-03-30

    Data about gamma radiation induced effects in Ge40Se60 chalcogenide thin films and radiation induced silver diffusion within these are presented. Blanket films and devices were created to study the structural changes, diffusion products, and device performance. Raman spectroscopy, X-ray diffraction, current vs. voltage (I-V) and impedance measurements expound the behavior of Ge40Se60 glass and silver diffusion within this glass under radiation. Raman study shows that there is a decrease in the area ratio between edge shared and corner shared structural units revealing structural reorganization occurring in the glasses as a result of gamma radiation. X-ray diffraction studies revealed that with sufficiently radiation dose it is also possible to create Ag2Se in selenium-depleted systems. Oxidation of the Ge enriched chalcogenide backbone is confirmed through the electrical performance of the sensing elements based on these films. Combination of these structural and diffusion products influences the device performance. The I-V behavior is characterized by increase in current and then stabilization as a function of radiation dose. Additionally, device modeling is also presented using Silvaco software and analytical methods to shed light on the device behavior. This type of sensor design and material characterizations facilitate in improving the radiation sensing capabilities of silver containing chalcogenide glass thin films. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Study of third order nonlinearity of chalcogenide thin films using third harmonic generation measurements

    Science.gov (United States)

    Rani, Sunita; Mohan, Devendra; Kumar, Manish; Sanjay

    2018-05-01

    Third order nonlinear susceptibility of (GeSe3.5)100-xBix (x = 0, 10, 14) and ZnxSySe100-x-y (x = 2, y = 28; x = 4, y = 20; x = 6, y = 12; x = 8, y = 4) amorphous chalcogenide thin films prepared using thermal evaporation technique is estimated. The dielectric constant at incident and third harmonic wavelength is calculated using "PARAV" computer program. 1064 nm wavelength of Nd: YAG laser is incident on thin film and third harmonic signal at 355 nm wavelength alongwith fundamental light is obtained in reflection that is separated from 1064 nm using suitable optical filter. Reflected third harmonic signal is measured to trace the influence of Bi and Zn on third order nonlinear susceptibility and is found to increase with increase in Bi and Zn content in (GeSe3.5)100-xBix, and ZnxSySe100-x-y chalcogenide thin films respectively. The excellent optical nonlinear property shows the use of chalcogenide thin films in photonics for wavelength conversion and optical data processing.

  11. Theoretical study of phonon dispersion, elastic, mechanical and thermodynamic properties of barium chalcogenides

    Science.gov (United States)

    Musari, A. A.; Orukombo, S. A.

    2018-03-01

    Barium chalcogenides are known for their high-technological importance and great scientific interest. Detailed studies of their elastic, mechanical, dynamical and thermodynamic properties were carried out using density functional theory and plane-wave pseudo potential method within the generalized gradient approximation. The optimized lattice constants were in good agreement when compared with experimental data. The independent elastic constants, calculated from a linear fit of the computed stress-strain function, were used to determine the Young’s modulus (E), bulk modulus (B), shear modulus (G), Poisson’s ratio (σ) and Zener’s anisotropy factor (A). Also, the Debye temperature and sound velocities for barium chalcogenides were estimated from the three independent elastic constants. The calculations of phonon dispersion showed that there are no negative frequencies throughout the Brillouin zone. Hence barium chalcogenides have dynamically stable NaCl-type crystal structure. Finally, their thermodynamic properties were calculated in the temperature range of 0-1000 K and their constant-volume specific heat capacities at room-temperature were reported.

  12. Limiting of photo induced changes in amorphous chalcogenide/alumino-silicate nanomultilayers

    International Nuclear Information System (INIS)

    Charnovych, S.; Nemec, P.; Nazabal, V.; Csik, A.; Allix, M.; Matzen, G.; Kokenyesi, S.

    2011-01-01

    Highlights: → Amorphous chalcogenides were investigated in this work. → Photo-induced effects were investigated in the created thin films. → Limiting of photo induced changes in amorphous chalcogenide/alumino-silicate nanomultilayers have been studied. - Abstract: Photo induced changes in amorphous As 20 Se 80 /alumino-silicate nanomultilayers (NML) produced by pulsed laser deposition (PLD) method have been studied in this work. The aim was to investigate the photo induced optical and surface relief changes due to the band gap illumination under the size- and hard cover limited conditions. It was observed that the hard cover layer on the surface of the uniform film or alumino-silicate sub-layers in the NML structure influences the photo darkening and restricts surface relief formations in As 20 Se 80 film or in the related NML compared with this effect in a pure chalcogenide layer. The influence of hard layers is supposed to be connected with limiting the free volume formation at the initial stage of the transformation process, which in turn limits the atomic movement and so the surface relief formation.

  13. Qualitative Carbohydrate Analysis using Alkaline Potassium ...

    Indian Academy of Sciences (India)

    IAS Admin

    CLASSROOM. 285. RESONANCE | March 2016. Qualitative Carbohydrate Analysis using Alkaline. Potassium Ferricyanide. Keywords. Alkaline potassium ferricyanide, qualitative ... Carbohydrates form a distinct class of organic compounds often .... Laboratory Techniques: A contemporary Approach, W B Saunders Com-.

  14. Development of alkaline fuel cells.

    Energy Technology Data Exchange (ETDEWEB)

    Hibbs, Michael R.; Jenkins, Janelle E.; Alam, Todd Michael; Janarthanan, Rajeswari; Horan, James L.; Caire, Benjamin R.; Ziegler, Zachary C.; Herring, Andrew M.; Yang, Yuan; Zuo, Xiaobing; Robson, Michael H.; Artyushkova, Kateryna; Patterson, Wendy; Atanassov, Plamen Borissov

    2013-09-01

    This project focuses on the development and demonstration of anion exchange membrane (AEM) fuel cells for portable power applications. Novel polymeric anion exchange membranes and ionomers with high chemical stabilities were prepared characterized by researchers at Sandia National Laboratories. Durable, non-precious metal catalysts were prepared by Dr. Plamen Atanassovs research group at the University of New Mexico by utilizing an aerosol-based process to prepare templated nano-structures. Dr. Andy Herrings group at the Colorado School of Mines combined all of these materials to fabricate and test membrane electrode assemblies for single cell testing in a methanol-fueled alkaline system. The highest power density achieved in this study was 54 mW/cm2 which was 90% of the project target and the highest reported power density for a direct methanol alkaline fuel cell.

  15. Chalcogenide Sensitized Carbon Based TiO2 Nanomaterial For Solar Driven Applications

    Science.gov (United States)

    Pathak, Pawan

    The demand for renewable energy is growing because fossils fuels are depleting at a rapid pace. Solar energy an abundant green energy resource. Utilizing this resource in a smart manner can resolve energy-crisis related issues. Sun light can be efficiently harvested using semiconductor based materials by utilizing photo-generated charges for numerous beneficial applications. The main goal of this thesis is to synthesize different nanostructures of TiO2, develop a novel method of coupling and synthesizing chalcogenide nanocrystals with TiO2 and to study the charge transportation effects of the various carbon allotropes in the chalcogenide nanocrystal sensitized TiO2 nanostructure. We have fabricated different nanostructures of TiO2 as solar energy harvesting materials. Effects of the different phases of TiO2 have also been studied. The anatase phase of TiO2 is more photoactive than the rutile phase of TiO2, and the higher dimension of the TiO2 can increase the surface area of the material which can produce higher photocurrent. Since TiO2 only absorbs in the UV range; to increase the absorbance TiO2 should be coupled to visible light absorbing materials. This dissertation presents a simple approach to synthesize and couple chalcogenide nanocrystals with TiO2 nanostructure to form a heterostructured composite. An atmospheric pressure based, single precursor, one-pot approach has been developed and tested to assemble chalcogenide nanocrystal on the TiO2 surface. Surface characterization using microscopy, X-ray diffraction, and elemental analysis indicates the formation of nanocrystals along the nanotube walls and inter-tubular spacing. Optical measurements indicate that the chalcogenide nanocrystals absorb in the visible region and demonstrate an increase in photocurrent in comparison to bare TiO2 nanostructure. The CdS synthesized TiO2 nanostructure produced the highest photocurrent as measured in the three electrode system. We have also assembled the PbS nanocrystal

  16. Rb-Sr age of the Sivamalai alkaline complex, Tamil Nadu

    International Nuclear Information System (INIS)

    Subba Rao, T.V.; Narayana, B.L.; Gopalan, K.

    1994-01-01

    The Sivamalai alkaline complex comprises ferro-, pyroxene- hornblende-and nepheline-syenites. Field relations show that the nepheline syenites followed the emplacement of non-feldspathoidal syenites. Mineralogical data on the syenite suite have been reviewed. The Sivamalai alkaline rocks are not strongly enriched in rare-earth elements like most miaskites. Rb-Sr isotopic analyses of a suite of six samples from the various members of the complex define an isochron corresponding to an age of 623 ± 21 Ma (2σ) and initial Sr ratio of 0.70376 ± 14 (2σ). This is consistent with a model of fractional crystallization of a parent magma derived from an upper mantle source with apparently no isotopic evidence for more than one magma source for the complex. The Sivamalai alkaline complex represents a Pan-African alkaline magmatic event in the southern granulite terrane of peninsular India. (author). 26 refs., 4 figs., 4 tabs

  17. Silica-poor, mafic alkaline lavas from ocean islands and continents

    Indian Academy of Sciences (India)

    Strongly silica-poor (ne-normative), mafic alkaline lavas generally represented by olivine nephelinites, nephelinites, melilitites, and olivine melilitites have erupted at various locations during Earth's history. On the basis of bulk-rock Mg#, high concentrations of Na2O, TiO2, and K2O, and trace element geochemistry, it has ...

  18. The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds

    International Nuclear Information System (INIS)

    Dadsetani, M.; Beiranvand, R.

    2010-01-01

    Electronic and optical properties of calcium, strontium and barium chalcogenide compounds in NaCl structure are studied using the band structure results obtained through the full potential linearized augmented palne wave method. Different linear relationships are observed between theoretical band gap and 1/a 2 (where a is lattice constant) for calcium, strontium and barium chalcogenide compounds with and without oxygen, respectively. An abnormal behavior of electronic and optical properties are found for compounds containing oxygen. These effects are ascribed to the special properties of Ca-O, Sr-O and Ba-O bonds, which are different from chemical bonds between Ca, Sr and Ba and other chalcogen atoms.

  19. Journal of Earth System Science | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Earth System Science. Sohini Ganguly. Articles written in Journal of Earth System Science. Volume 119 Issue 5 October 2010 pp 675-699. Evaluation of phase chemistry and petrochemical aspects of Samchampi–Samteran differentiated alkaline complex of Mikir Hills, northeastern India.

  20. Iron based pnictide and chalcogenide superconductors studied by muon spin spectroscopy

    International Nuclear Information System (INIS)

    Shermadini, Zurab

    2014-01-01

    In the present thesis the superconducting properties of the Iron-based Ba 1-x Rb x Fe 2 As 2 arsenides, and A x Fe 2-y Se 2 (A=Cs,Rb,K) chalcogenides are investigated by means of Muon Spin Rotation Spectroscopy. The temperature and pressure dependence of the magnetic penetration depth is obtained form μSR experiments and analyzed to probe the superconducting gap-symmetries for each samples. The Ba 1-x Rb x Fe 2 As 2 system is described within the multi-gap s+s-wave scenario and results are discussed in the light of the suppression of inter-band processes upon hole doping. Due to the lowered upper critical field B c2 and reduced T c , a large section of B-T-p phase diagram is studied for the hole-overdoped x=1 case. By applying hydrostatic pressure, the RbFe 2 As 2 system exhibits a classical BCS superconducting characteristics. The A x Fe 2-y Se 2 chalcogenide represents a system containing magnetically ordered and superconducting phases simultaneously. In all investigated chalcogenide samples, about 90% of the total volume show the strong antiferromagnetic phase and 10% exhibit a paramagnetic behavior. Magnetization measurements reveal a 100% Meissner effect, while μSR clearly indicates that the paramagnetic phase is a perfect superconductor. Up to now, there is no clear evidence whether the antiferromagnetic phase is also superconducting. The microscopic coexistence and/or phase separation of superconductivity and magnetism is discussed. Moreover, a new hydrostatic double-wall pressure cell is developed and produced, satisfying the demands of μSR experiments. The designs and characteristics of the new pressure cell are reviewed in the present thesis.

  1. Structural, optical and electrical properties of cadmium-doped lead chalcogenide (PbSe) thin films

    International Nuclear Information System (INIS)

    Khan, Shamshad A.; Khan, Zishan H.; El-Sebaii, A.A.; Al-Marzouki, F.M.; Al-Ghamdi, A.A.

    2010-01-01

    (PbSe) 100-x Cd x thin films of thickness 3000 A with variable concentrations of Cd (x=5, 10, 15 and 20) were prepared by thermal evaporation on glass substrates at room temperature at a base pressure of 10 -6 Torr. The structural, optical and electrical properties of these films were studied. X-ray diffraction patterns were used to determine the crystal structure of the films. Films were of polycrystalline texture over the whole range of study. Optical constants of all films were determined by absorbance and reflection measurements in a wavelength range 400-1200 nm. Analysis of the optical absorption data showed that the rule of direct transitions predominates. The values of the absorption coefficient (α), extinction coefficient (k) and imaginary part of the dielectric constant were found to increase with increasing Cd content in lead chalcogenides while the refractive index (n) and real part of dielectric constant were increased with increasing Cd concentration up to 15% and then they decreased with 20% of Cd content in PbSe. These results were interpreted in terms of the change in concentration of localized states due to the shift in Fermi level. The dc conductivities and activation energies of the films were measured in the temperature range 298-398 K. It was observed that the dc conductivity increases at all temperatures with the increase of Cd content in lead chalcogenide system. The experimental data suggests that the conduction is due to the thermally assisted tunneling of the carriers in the localized states near the band edges. The activation energy and optical band gap were found to decrease with increasing Cd concentration in lead chalcogenide.

  2. A feasibility study of unconventional planar ligand spacers in chalcogenide nanocrystals.

    Science.gov (United States)

    Lukose, Binit; Clancy, Paulette

    2016-05-18

    The solar cell efficiency of chalcogenide nanocrystals (quantum dots) has been limited in the past by the insulation between neighboring quantum dots caused by intervening, often long-chain, aliphatic ligands. We have conducted a computationally based feasibility study to investigate the use of ultra-thin, planar, charge-conducting ligands as an alternative to traditional long passive ligands. Not only might these radically unconventional ligands decrease the mean distance between adjacent quantum dots, but, since they are charge-conducting, they have the potential to actively enhance charge migration. Our ab initio studies compare the binding energies, electronic energy gaps, and absorption characteristics for both conventional and unconventional ligands, such as phthalocyanines, porphyrins and coronene. This comparison identified these unconventional ligands with the exception of titanyl phthalocyanine, that bind to themselves more strongly than to the surface of the quantum dot, which is likely to be less desirable for enhancing charge transport. The distribution of finite energy levels of the bound system is sensitive to the ligand's binding site and the levels correspond to delocalized states. We also observed a trap state localized on a single Pb atom when a sulfur-containing phenyldithiocarbamate (PTC) ligand is attached to a slightly off-stoichiometric dot in a manner that the sulfur of the ligand completes stoichiometry of the bound system. Hence, this is indicative of the source of trap state when thio-based ligands are bound to chalcogenide nanocrystals. We also predict that titanyl phthalocyanine in a mix with chalcogenide dots of diameter ∼1.5 Å can form a donor-acceptor system.

  3. Magnetic and electronic properties of Neptunium chalcogenides from GGA + U + SOC and DFT investigations

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Wilayat [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Goumri-Said, Souraya, E-mail: sosaid@alfaisal.edu [College of Science, Physics Department, Alfaisal University, Riyadh 11533 (Saudi Arabia)

    2017-06-15

    Highlights: • Electronic and magnetic properties of Neptunium chalcogenides were explored theoretically using DFT approach. • Spin orbit coupling and GGA + U approach described successfully the f–f coupling. • Np{sub 2}X{sub 5} ate metallic with high magnetic character due to the Neptunium. • Fermi surfaces of Np{sub 2}Te{sub 5} have shown a greater electrical conductivity compared to Np{sub 2}Se{sub 5} and Np{sub 2}S{sub 5}. - Abstract: First-principles calculations techniques were employed to explore the structural, electronic and magnetic properties of Neptunium chalcogenides (Np{sub 2}X{sub 5}, X = S, Se and Te). No experimental or theoretical studies of their physical properties have been previously reported in the literature. The presence of highly localized f states has requested the employment of the spin orbit coupling and GGA + U approach in order to describe correctly the f–f coupling. Np{sub 2}X{sub 5} was found metallic with high magnetic character due to the Neptunium presence. Fermi surfaces of Np{sub 2}Te{sub 5} have shown a greater electrical conductivity compared to Np{sub 2}Se{sub 5} and Np{sub 2}S{sub 5}. The magnetic moment was found to be between 13.24 and 13.92μ{sub B}, principally induced by Np f and d-orbitals as well as the spin-polarization of the chalcogenes (Te, Se, S) induced by Np. Neptunium chalcogenides have shown interesting magnetic properties and should be manipulated with precaution due to their radioactive properties.

  4. The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Carey, John J.; Allen, Jeremy P. [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland); Scanlon, David O. [University College London, Kathleen Lonsdale Materials Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Watson, Graeme W., E-mail: watsong@tcd.ie [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland)

    2014-05-01

    In this study, density functional theory is used to evaluate the electronic structure of the antimony chalcogenide series. Analysis of the electronic density of states and charge density shows that asymmetric density, or ‘lone pairs’, forms on the Sb{sup III} cations in the distorted oxide, sulphide and selenide materials. The asymmetric density progressively weakens down the series, due to the increase in energy of valence p states from O to Te, and is absent for Sb{sub 2}Te{sub 3}. The fundamental and optical band gaps were calculated and Sb{sub 2}O{sub 3}, Sb{sub 2}S{sub 3} and Sb{sub 2}Se{sub 3} have indirect band gaps, while Sb{sub 2}Te{sub 3} was calculated to have a direct band gap at Γ. The band gaps are also seen to reduce from Sb{sub 2}O{sub 3} to Sb{sub 2}Te{sub 3}. The optical band gap for Sb{sub 2}O{sub 3} makes it a candidate as a transparent conducting oxide, while Sb{sub 2}S{sub 3} and Sb{sub 2}Se{sub 3} have suitable band gaps for thin film solar cell absorbers. - Graphical abstract: A schematic illustrating the interaction between the Sb{sup III} cations and the chalcogenide anions and the change in their respective energy levels down the series. - Highlights: • The electronic structure of the antimony chalcogenide series is modelled using DFT. • Asymmetric density is present on distorted systems and absent on the symmetric telluride system. • Asymmetric density is formed from the mixing of Sb 5s and anion p states, where the anti-bonding combination is stabilised by the Sb 5p states. • The asymmetric density weakens down the series due to the increase in energy of chalcogenide p states. • The increase in energy of the anion p states reduces the fundamental and optical band gaps.

  5. Origin of the frequency shift of Raman scattering in chalcogenide glasses

    DEFF Research Database (Denmark)

    Han, X.C.; Tao, H.Z.; Gong, L.J.

    2014-01-01

    of the shift is associated with the topological connectivity of global network and/or the local environment of structural units, (e.g., tetrahedral GeSe4). Here we show the compositional evolution of the main Raman scattering frequency in Ge(SxSe1−x)2 glasses, and then clarify its structural origin. We keep...... units such as GeS4 tetrahedra. The ab-initio calculations of normal Raman mode combined with group theory analysis provide insight into the structural evolution of chalcogenide glasses with varying composition....

  6. Ageing effects in As10Se90 chalcogenide glasses induced by gamma-irradiation

    International Nuclear Information System (INIS)

    Golovchak, R.; Shpotyuk, O.; Shpotyuk, M.; Gorecki, Cz.; Kozdras, A.

    2005-01-01

    The peculiarities of gamma-induced (Co 60 source, 1.85 MGy absorbed dose) ageing phenomena in As 10 Se 90 chalcogenide glasses are investigated for the first time. The analogy between the observed radiation-induced ageing and the thermally induced one in vitreous selenium is emphasized. Like to thermal treatment, gamma-irradiation leads to an increase in the glass transition temperature and the relaxation rate towards a thermodynamic equilibrium of supercooled liquid, the value of this increase being greater in the case of radiation influence

  7. Structural modification of covalent-bonded networks: on some methodological resolutions for binary chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, M; Shpotyuk, Ya; Shpotyuk, O, E-mail: shpotyukmy@yahoo.com [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 212, Stryjska str., Lviv, 79031 (Ukraine)

    2011-04-01

    New methodology to estimate efficiency of externally-induced structural modification in chalcogenide glasses is developed. This approach is grounded on the assumption that externally-induced structural modification is fully associated with destruction-polymerization transformations, which reveal themselves as local misbalances in covalent bond distribution, normal atomic coordination and intrinsic electrical fields. The input of each of these components into the total value of structural modification efficiency was probed for quasibinary (As{sub 2}S{sub 3}){sub 100-x}(Sb{sub 2}S{sub 3}){sub x} ChG.

  8. Structural modification of covalent-bonded networks: on some methodological resolutions for binary chalcogenide glasses

    International Nuclear Information System (INIS)

    Shpotyuk, M; Shpotyuk, Ya; Shpotyuk, O

    2011-01-01

    New methodology to estimate efficiency of externally-induced structural modification in chalcogenide glasses is developed. This approach is grounded on the assumption that externally-induced structural modification is fully associated with destruction-polymerization transformations, which reveal themselves as local misbalances in covalent bond distribution, normal atomic coordination and intrinsic electrical fields. The input of each of these components into the total value of structural modification efficiency was probed for quasibinary (As 2 S 3 ) 100-x (Sb 2 S 3 ) x ChG.

  9. Charged defects in chalcogenide vitreous semiconductors studied with combined Raman scattering and PALS methods

    International Nuclear Information System (INIS)

    Kavetskyy, T.; Vakiv, M.; Shpotyuk, O.

    2007-01-01

    A combination of Raman scattering and positron annihilation lifetime spectroscopy (PALS) techniques to study charged defects in chalcogenide vitreous semiconductors (ChVSs) was applied for the first time in this study. In the case of Ge 15.8 As 21 S 63.2 glass, it is found that the main radiation-induced switching of heteropolar Ge-S bonds into heteropolar As-S ones, previously detected by IR fast Fourier transform spectroscopy, can also be identified by Raman spectroscopy in the depolarized configuration. Results obtained by Raman scattering are in good agreement with PALS data for the investigated glass composition

  10. Charged defects in chalcogenide vitreous semiconductors studied with combined Raman scattering and PALS methods

    Energy Technology Data Exchange (ETDEWEB)

    Kavetskyy, T.; Vakiv, M. [Lviv Institute of Materials of SRC ' Carat' , 202 Stryjska str., Lviv, UA-79031 (Ukraine); Shpotyuk, O. [Lviv Institute of Materials of SRC ' Carat' , 202 Stryjska str., Lviv, UA-79031 (Ukraine)], E-mail: shpotyuk@novas.lviv.ua

    2007-04-15

    A combination of Raman scattering and positron annihilation lifetime spectroscopy (PALS) techniques to study charged defects in chalcogenide vitreous semiconductors (ChVSs) was applied for the first time in this study. In the case of Ge{sub 15.8}As{sub 21}S{sub 63.2} glass, it is found that the main radiation-induced switching of heteropolar Ge-S bonds into heteropolar As-S ones, previously detected by IR fast Fourier transform spectroscopy, can also be identified by Raman spectroscopy in the depolarized configuration. Results obtained by Raman scattering are in good agreement with PALS data for the investigated glass composition.

  11. Radiation-induced defects formation in Bi-containing vitreous chalcogenides

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Vakiv, M.; Balitska, V.; Kovalskiy, A.

    1997-01-01

    Processes of formation and annihilation of coordination defects in As 2 Se 3 Bi y and (As 2 Se 3 )(Bi 2 Se 3 ) y amorphous chalcogenide semiconductors induced by influence of Co 60 gamma-irradiation are investigated by photoelectric spectroscopy method. It is obtained that radiation-induced changes of photoelectrical properties on bioconcentration of As 2 Se 3 Bi y glasses are characterized by anomalous concentration dependence. The nature of this effect is associated with diamagnetic coordination defects formation. (author). 19 refs, 3 figs

  12. Application of positron annihilation lifetime technique for {gamma}-irradiation stresses study in chalcogenide vitreous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O.; Golovchak, R.; Kovalskiy, A. [Scientific Research Company ' ' Carat' ' , Stryjska str. 20279031 Lviv (Ukraine); Filipecki, J.; Hyla, M. [Physics Institute, Pedagogical University, Al. Armii Krajowej 13/1542201 Czestochowa (Poland)

    2002-08-01

    The influence of {gamma}-irradiation on the positron annihilation lifetime spectra in chalcogenide vitreous semiconductors of As-Ge-S system has been analysed. The correlations between lifetime data, structural features and chemical compositions of glasses have been discussed. The observed lifetime components are connected with bulk positron annihilation and positron annihilation on various native and {gamma}-induced open volume defects. It is concluded that after {gamma}-irradiation of investigated materials the {gamma}-induced microvoids based on S{sub 1}{sup -}, As{sub 2}{sup -}, and Ge{sub 3}{sup -} coordination defects play the major role in positron annihilation processes. (Abstract Copyright[2002], Wiley Periodicals, Inc.)

  13. Radiation-induced defects formation in Bi-containing vitreous chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O.; Vakiv, M.; Balitska, V.; Kovalskiy, A. [Institute of Materials, Lvov (Ukraine)

    1997-12-01

    Processes of formation and annihilation of coordination defects in As{sub 2}Se{sub 3}Bi{sub y} and (As{sub 2}Se{sub 3})(Bi{sub 2}Se{sub 3}){sub y} amorphous chalcogenide semiconductors induced by influence of Co{sup 60} gamma-irradiation are investigated by photoelectric spectroscopy method. It is obtained that radiation-induced changes of photoelectrical properties on bioconcentration of As{sub 2}Se{sub 3}Bi{sub y} glasses are characterized by anomalous concentration dependence. The nature of this effect is associated with diamagnetic coordination defects formation. (author). 19 refs, 3 figs.

  14. Radiation-induced defects in chalcogenide glasses characterized by combined optical spectroscopy, XPS and PALS methods

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Institute of Physics of Jan Dlugosz University, 13/15 al. Armii Krajowej, Czestochowa 42201 (Poland); Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Lviv Institute of Materials of SRC ' ' Carat' ' , 202, Stryjska str., 79031 Lviv (Ukraine); Kovalskiy, A.; Jain, H. [Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Golovchak, R. [Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Lviv Institute of Materials of SRC ' ' Carat' ' , 202, Stryjska str., 79031 Lviv (Ukraine); Zurawska, A. [Opole University of Technology, 75, Ozimska str., Opole 45370 (Poland)

    2007-03-15

    Temperature-dependent optical absorption spectroscopy, high-resolution X-ray photoelectron spectroscopy and positron annihilation lifetimes spectroscopy are utilized to understand radiation-induced changes in Ge-Sb-S chalcogenide glasses. Theoretically predicted topological scheme of {gamma}-induced coordination defect formation in stoichiometric Ge{sub 23.5}Sb{sub 11.8}S{sub 64.7} glass composition is supported by these measurements. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. CW all optical self switching in nonlinear chalcogenide nano plasmonic directional coupler

    Science.gov (United States)

    Motamed-Jahromi, Leila; Hatami, Mohsen

    2018-04-01

    In this paper we obtain the coupling coefficient of plasmonic directional coupler (PDC) made up of two parallel monolayer waveguides filled with high nonlinear chalcogenide material for TM mode in continues wave (CW) regime. In addition, we assume each waveguides acts as a perturbation to other waveguide. Four nonlinear-coupled equations are derived. Transfer distances are numerically calculated and used for deriving length of all optical switch. The length of designed switch is in the range of 10-1000 μm, and the switching power is in the range of 1-100 W/m. Obtained values are suitable for designing all optical elements in the integrated optical circuits.

  16. Theory of Two-Magnon Raman Scattering in Iron Pnictides and Chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Chen, C. C.

    2011-08-15

    Although the parent iron-based pnictides and chalcogenides are itinerant antiferromagnets, the use of local moment picture to understand their magnetic properties is still widespread. We study magnetic Raman scattering from a local moment perspective for various quantum spin models proposed for this new class of superconductors. These models vary greatly in the level of magnetic frustration and show a vastly different two-magnon Raman response. Light scattering by two-magnon excitations thus provides a robust and independent measure of the underlying spin interactions. In accord with other recent experiments, our results indicate that the amount of magnetic frustration in these systems may be small.

  17. Surface morphology of spin-coated As-S-Se chalcogenide thin films

    Czech Academy of Sciences Publication Activity Database

    Kohoutek, T.; Wágner, T.; Orava, J.; Krbal, M.; Fejfar, Antonín; Mates, Tomáš; Kasap, S. O.; Frumar, M.

    2007-01-01

    Roč. 353, - (2007), s. 1437-1440 ISSN 0022-3093 R&D Projects: GA AV ČR IAA1010316; GA AV ČR IAA1010413 Grant - others:GA ČR(CZ) GA203/05/0524; GAMŠk(CZ) LC523 Program:LC Institutional research plan: CEZ:AV0Z10100521 Keywords : chemical properties * spin coating * infrared glasses * chalcogenides * atomic force and scanning tunneling microscopy * scanning electron microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.319, year: 2007

  18. Reactive ion etching of tellurite and chalcogenide waveguides using hydrogen, methane, and argon

    International Nuclear Information System (INIS)

    Vu, K. T.; Madden, S. J.

    2011-01-01

    The authors report in detail on the reactive plasma etching properties of tellurium and demonstrate a high quality etching process using hydrogen, methane, and argon. Very low loss planar ridge waveguides are demonstrated. Optical losses in tellurium dioxide waveguides below 0.1 dB/cm in most of the near infrared region of the electromagnetic spectrum and at 1550 nm have been achieved--the lowest ever reported by more than an order of magnitude and clearly suitable for planar integrated devices. The etch process is also shown to be suitable for chalcogenide glasses which may be of importance in applications such as phase change memory devices and nonlinear integrated optics.

  19. Advances in Mid-IR Fiber Lasers: Tellurite, Fluoride and Chalcogenide

    Directory of Open Access Journals (Sweden)

    Mario Christian Falconi

    2017-06-01

    Full Text Available A review on the recent progress in modeling and fabrication of medium infrared (Mid-IR fiber lasers is reported. The main objective is to illustrate some recent examples of continuous wave optical sources at wavelengths longer than those commonly employed in telecom applications and allowing high beam quality. A small number of Mid-IR lasers, among the large variety of schemes, glasses, dopants and pumping schemes reported in literature, is selected on the basis of their slope efficiency and threshold pump power. In particular, tellurite, fluoride and chalcogenide fiber lasers are considered. More details are given with reference to the novel pumping schemes.

  20. Functions of chalcogenide electrodes in solutions of complexing reagents and interfering ions

    International Nuclear Information System (INIS)

    Kiyanskij, V.V.

    1990-01-01

    The possibility to modify chalcogenide electrodes and their behaviour in solutions of complexing reagents for the development of new methods of potentiometric titration has been studied. It is shown that complexing reagents (EDTA, cupferron, 8-hydroxyquinoline, sodium dithiocarbaminate) and Cu(2), Hg(2) produce a strong effect on the functions of Ag, Cu, Cd, Pb - selective electrodes, which is used for titration of potential-determining and non-potential-determining ions ions (Sr 2+ , La 3+ etc.) and also for modification of sulfide-selecting electrode. A method of potentiometric titration of sulfates and chlorides with modified Cd- and Ag-selective electrodes is suggested

  1. Variable dimensionality and new uranium oxide topologies in the alkaline-earth metal uranyl selenites AE[UO2)(SeO3)2] (AE=Ca, Ba) and Sr[UO2)(SeO3)2] · 2H2O

    International Nuclear Information System (INIS)

    Almond, Philip M.; Peper, Shane M.; Bakker, Eric; Albrecht-Schmitt, Thomas E.

    2002-01-01

    Three new alkaline-earth metal uranyl selenites, Ca[UO 2 )(SeO 3 ) 2 ] (1), Sr[UO 2 )(SeO 3 ) 2 ] · 2H 2 O (2), and Ba[UO 2 )(SeO 3 ) 2 ] (3), have been prepared from the reactions of CaCO 3 and Ca(OH) 2 , SrCl 2 and Sr(OH) 2 , or BaCl 2 and Ba(OH) 2 with UO 3 and SeO 2 under mild hydrothermal conditions. Single-crystal X-ray diffraction experiments reveal that the structures of 1-3 differ in both connectivity and dimensionality even though all contain the same fundamental building unit, namely [UO 2 (SeO 3 ) 4 ]. This polyhedron consists of a linear uranyl unit that is bound by one chelating and three bridging selenite anions creating a pentagonal bipyramidal environment around the U(VI) center. The crystal structure of 1 contains one-dimensional ribbons where the edges are terminated by monodentate selenite anions. The interior of the ribbons are constructed from edge-sharing pentagonal bipyramidal UO 7 units. The structure of 2 is also one-dimensional; however, here there are chains of edge-sharing pentagonal bipyramidal UO 7 dimers that are connected by bridging selenite anions. Ba[(UO 2 )(SeO 3 ) 2 ] (3) is two-dimensional, and the highly ruffled anionic sheets present in this structure are formed from both bridging and chelating/bridging selenite anions bound to uranyl moieties. The anionic substructures in 1-3 are separated by Ca 2+ , Sr 2+ , or Ba 2+ cations. Crystallographic data (193 K, MoKα, λ=0.71073): 1, triclinic, space group P1-bar, a=5.5502(6) A, b=6.6415(7) A, c=11.013(1) A, α=104.055(2) deg., β=93.342(2) deg., γ=110.589(2) deg. , Z=2, R(F)=4.56% for 100 parameters with 1530 reflections with I>2σ(I); 2, triclinic, space group P1-bar, a=7.0545(5) A, b=7.4656(5) A, c=10.0484(6) A, α=106.995(1) deg., β=108.028(1) deg., γ=98.875(1) deg., Z=2, R(F)= 2.43% for 128 parameters with 2187 reflections with I>2σ(I); 3, monoclinic, space group P2 1 /c, a=7.3067(6) A, b=8.1239(7) A, c=13.651(1) A, β=100.375(2) deg., Z=4, R(F)=4.31% for 105 parameters

  2. Synthesis of quaternary chalcogenide CZTS nanoparticles by a hydrothermal route

    Science.gov (United States)

    Das, S.; Sa, K.; Mahakul, P. C.; Raiguru, J.; Alam, I.; Subramanyam, BVRS; Mahanandia, P.

    2018-03-01

    Cu2ZnSnS4 (CZTS) has emerged as a potential absorber towards inorganic photovoltaic device application for its outstanding properties like non toxicity, earth abundancy nature, optimal band gap matched with solar spectrum (1.45- 1.65eV), high absorption coefficient (104cm‑1). Here, a low cost, environment friendly facile hydrothermal route to synthesize phase pure CZTS nanoparticles using Cu (II), Zn (II), Sn (II) inorganic metal salts and thiourea as Sulphur source in distilled water solution as precursor is reported. The as synthesized samples characterized by X-Ray diffraction (XRD) and RAMAN confirmed structure and phase of CZTS nanocrystals. The morphology of the prepared CZTS have been characterized by scanning electron microscopy (SEM). The particle size is found in the range 4-5 nm with crystalline nature have been characterized by transmission electron microscope (TEM). The optical band gap of the as prepared samples is calculated to be 1.65eV from UV-Visible analysis which proves it can be used towards photovoltaic applications.

  3. Progress of research on the influence of alkaline cation and alkaline solution on bentonite properties

    International Nuclear Information System (INIS)

    Ye Weimin; Zheng Zhenji; Chen Bao; Chen Yonggui

    2011-01-01

    Based on the previous laboratory studies and numerical simulation on bentonite in alkaline environments, the effects of alkaline cation and alkaline solution on mineral composition, microstructure, swelling capacity and hydraulic properties of bentonite are emphasized in this paper, temperature, pH values and concentration are discussed as main affecting factors. When bentonite is exposed to alkaline cation or alkaline solution, microstructure of bentonite will be changed due to the dissolution of montmorillonite and the formation of secondary minerals, which results in the decrease of swelling pressure. The amount of the reduction of swelling pressure depends on the concentration of alkaline solution. Temperature, polyvalent cation, salinity and concentration are the main factors affecting hydraulic properties of bentonite under alkaline conditions. Therefore, future research should focus on the mechanism of coupling effects of weak alkaline solutions on the mineral composition, microstructure, swelling capacity and hydraulic properties of bentonite under different temperatures and different pH values. (authors)

  4. Use of EDTA for potentiometric back titration of rare earths and analysis of their mixtures

    International Nuclear Information System (INIS)

    Zayed, M.A.; Rizk, M.S.; Khalifa, H.; Omer, W.F.

    1987-01-01

    Advantage was taken of the stoichiometric reaction between mercury(II), rare earths, alkaline earths, heavy metal ions and EDTA in urotropine buffered media to determine rare earths by back-titration of excess EDTA in the course of estimating a variety of lanthanides or analysing their binary mixture with one of the alkaline earth metals by selective control of pH; or analysing their binary mixtures with heavy metals using fluoride as a good masking agent for rare earths; or analysing their ternary mixtures with both heavy and alkaline earth metals in two steps, one by selective control of pH and the other by masking of rare earths with fluoride at lower pH to estimate the heavy metal. The procedures given are simple, rapid and extremely reliable. 19 refs. (author)

  5. Ion beam assisted synthesis of nano-crystals in glasses (silver and lead chalcogenides)

    International Nuclear Information System (INIS)

    Espiau de Lamaestre, R.

    2005-04-01

    This work deals with the interest in ion beams for controlling nano-crystals synthesis in glasses. We show two different ways to reach this aim, insisting on importance of redox phenomena induced by the penetration and implantation of ions in glasses. We first show that we can use the great energy density deposited by the ions to tailor reducing conditions, favorable to metallic nano-crystal precipitation. In particular, we show that microscopic mechanism of radiation induced silver precipitation in glasses are analogous to the ones of classical photography. Ion beams can also be used to overcome supersaturation of elements in a given matrix. In this work, we synthesized lead chalcogenide nano-crystals (PbS, PbSe, PbTe) whose optical properties are interesting for telecommunication applications. We demonstrate the influence of complex chalcogenide chemistry in oxide glasses, and its relationship with the observed loss of growth control when nano-crystals are synthesized by sequential implantation of Pb and S in pure silica. As a consequence of this understanding, we demonstrate a novel and controlled synthesis of PbS nano-crystals, consisting in implanting sulfur into a Pb-containing glass, before annealing. Choice of glass composition provides a better control of precipitation physico-chemistry, whereas the use of implantation allows high nano-crystal volume fractions to be reached. Our study of IR emission properties of these nano-crystals shows a very high excitation cross section, and evidence for a 'dark exciton' emitting level. (author)

  6. Half-Metallic Ferromagnetism and Stability of Transition Metal Pnictides and Chalcogenides

    Science.gov (United States)

    Liu, Bang-Gui

    It is highly desirable to explore robust half-metallic ferromagnetic materials compatible with important semiconductors for spintronic applications. A state-of-the-art full potential augmented plane wave method within the densityfunctional theory is reliable enough for this purpose. In this chapter we review theoretical research on half-metallic ferromagnetism and structural stability of transition metal pnictides and chalcogenides. We show that some zincblende transition metal pnictides are half-metallic and the half-metallic gap can be fairly wide, which is consistent with experiment. Systematic calculations reveal that zincblende phases of CrTe, CrSe, and VTe are excellent half-metallic ferromagnets. These three materials have wide half-metallic gaps, are low in total energy with respect to the corresponding ground-state phases, and, importantly, are structurally stable. Halfmetallic ferromagnetism is also found in wurtzite transition metal pnictides and chalcogenides and in transition-metal doped semiconductors as well as deformed structures. Some of these half-metallic materials could be grown epitaxially in the form of ultrathin .lms or layers suitable for real spintronic applications.

  7. The electronic band structures of gadolinium chalcogenides: a first-principles prediction for neutron detecting.

    Science.gov (United States)

    Li, Kexue; Liu, Lei; Yu, Peter Y; Chen, Xiaobo; Shen, D Z

    2016-05-11

    By converting the energy of nuclear radiation to excited electrons and holes, semiconductor detectors have provided a highly efficient way for detecting them, such as photons or charged particles. However, for detecting the radiated neutrons, those conventional semiconductors hardly behave well, as few of them possess enough capability for capturing these neutral particles. While the element Gd has the highest nuclear cross section, here for searching proper neutron-detecting semiconductors, we investigate theoretically the Gd chalcogenides whose electronic band structures have never been characterized clearly. Among them, we identify that γ-phase Gd2Se3 should be the best candidate for neutron detecting since it possesses not only the right bandgap of 1.76 eV for devices working under room temperature but also the desired indirect gap nature for charge carriers surviving longer. We propose further that semiconductor neutron detectors with single-neutron sensitivity can be realized with such a Gd-chalcogenide on the condition that their crystals can be grown with good quality.

  8. Silicon-based thin films as bottom electrodes in chalcogenide nonvolatile memories

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung-Yun [IT Convergence and Components Laboratory, Electronics and Telecommunications Research Institute (ETRI), Yuseong-gu, Daejeon 305-350 (Korea, Republic of)], E-mail: seungyun@etri.re.kr; Yoon, Sung-Min; Choi, Kyu-Jeong; Lee, Nam-Yeal; Park, Young-Sam; Ryu, Sang-Ouk; Yu, Byoung-Gon; Kim, Sang-Hoon; Lee, Sang-Heung [IT Convergence and Components Laboratory, Electronics and Telecommunications Research Institute (ETRI), Yuseong-gu, Daejeon 305-350 (Korea, Republic of)

    2007-10-31

    The effect of the electrical resistivity of a silicon-germanium (SiGe) thin film on the phase transition in a GeSbTe (GST) chalcogenide alloy and the manufacturing aspect of the fabrication process of a chalcogenide memory device employing the SiGe film as bottom electrodes were investigated. While p-type SiGe bottom electrodes were formed using in situ doping techniques, n-type ones could be made in a different manner where phosphorus atoms diffused from highly doped silicon underlayers to undoped SiGe films. The p-n heterojunction did not form between the p-type GST and n-type SiGe layers, and the semiconduction type of the SiGe alloys did not influence the memory device switching. It was confirmed that an optimum resistivity value existed for memory operation in spite of proportionality of Joule heating to electrical resistivity. The very high resistivity of the SiGe film had no effect on the reduction of reset current, which might result from the resistance decrease of the SiGe alloy at high temperatures.

  9. Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles

    Science.gov (United States)

    Voros, Marton; Brawand, Nicholas; Galli, Giulia

    Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations, irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial for charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Our findings suggest that post-synthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films. Work supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (NB) and U.S. DOE under Contract No. DE-AC02-06CH11357 (MV).

  10. Formation of surface nanolayers in chalcogenide crystals using coherent laser beams

    Science.gov (United States)

    Ozga, K.; Fedorchuk, A. O.; El-Naggar, A. M.; Albassam, A. A.; Kityk, V.

    2018-03-01

    We have shown a possibility to form laser modified surface nanolayers with thickness up to 60 nm in some ternary chalcogenide crystals (Ag3AsS3, Ag3SbS3, Tl3SbS3) The laser treatment was performed by two coherent laser beams split in a space. As the inducing lasers we have applied continuous wave (cw) Hesbnd Cd laser at wavelength 441 nm and doubled frequency cw Nd: YAG laser at 532 nm. The spectral energies of these lasers were higher with respect to the energy gaps of the studied crystals. The optical anisotropy was appeared and defected by monitoring of birefringence at probing wavelength of cw Hesbnd Ne laser at λ = 3390 nm. The changes of the laser stimulated near the surface layer morphology was monitored by TEM and AFM methods as well as by the reflected optical second harmonic generation at fundamental wavelength of microsecond CO2 laser generating at wavelength 10600 nm. This technique may open a new approach for the formation of the near the surface nanolayers in chalcogenides using external cw laser illumination.

  11. Synthesis and properties of new CdSe-AgI-As2Se3 chalcogenide glasses

    International Nuclear Information System (INIS)

    Kassem, M.; Le Coq, D.; Fourmentin, M.; Hindle, F.; Bokova, M.; Cuisset, A.; Masselin, P.; Bychkov, E.

    2011-01-01

    Research highlights: → Determination of the glass-forming region in the pseudo-ternary CdSe-AgI-As 2 Se 3 system. → Characterization of macroscopic properties of the new CdSe-AgI-As 2 Se 3 glasses. → Far infrared transmission of chalcogenide glasses. → Characterization of the total conductivity of CdSe-AgI-As 2 Se 3 glasses. -- Abstract: The glass-forming region in the pseudo-ternary CdSe-AgI-As 2 Se 3 system was determined. Measurements including differential scanning calorimetry (DSC), density, and X-ray diffraction were performed. The effect resulting from the addition of CdSe or AgI has been highlighted by examining three series of different base glasses. The characteristic temperatures of the glass samples, including glass transition (T g ), crystallisation (T x ), and melting (T m ) temperatures are reported and used to calculate their ΔT = T x - T g and their Hruby, H r = (T x - T g )/(T m - T x ), criteria. Evolution of the total electrical conductivity σ and the room temperature conductivity σ 298 was also studied. The terahertz transparency domain in the 50-600 cm -1 region was pointed for different chalcogenide glasses (ChGs) and the potential of the THz spectroscopy was suggested to obtain structural information on ChGs.

  12. Temperature and frequency response of conductivity in Ag2S doped chalcogenide glassy semiconductor

    Science.gov (United States)

    Ojha, Swarupa; Das, Anindya Sundar; Roy, Madhab; Bhattacharya, Sanjib

    2018-06-01

    The electric conductivity of chalcogenide glassy semiconductor xAg2S-(1-x)(0.5S-0.5Te) has been presented here as a function of temperature and frequency. Formation of different nanocrystallites has been confirmed from X-ray diffraction study. It is also noteworthy that average size of nanocrystallites decreases with the increase of dislocation density. Dc conductivity data have been interpreted using Mott's model and Greaves's model in low and high temperature regions respectively. Ac conductivity above the room temperature has been analyzed using Meyer-Neldel (MN) conduction rule. It is interestingly noted that Correlated Barrier Hopping (CBH) model is the most appropriate conduction mechanism for x = 0.35, where pairs of charge carrier are considered to hop over the potential barrier between the sites via thermal activation. To interpret experimental data for x = 0.45, modified non-overlapping small polaron tunnelling (NSPT) model is supposed to be appropriate model due to tunnelling through grain boundary. The conductivity spectra at various temperatures have been analyzed using Almond-West Formalism (power law model). Scaling of conductivity spectra reveals that electrical relaxation process of charge carriers (polaron) is temperature independent but depends upon the composition of the present chalcogenide glassy system.

  13. Structural and electronic properties of high pressure phases of lead chalcogenides

    Science.gov (United States)

    Petersen, John; Scolfaro, Luisa; Myers, Thomas

    2012-10-01

    Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity. Variation in synthesis conditions gives rise to a need for analysis of structural and thermoelectric properties of these materials at different pressures. In addition to the NaCl structure at ambient conditions, lead chalcogenides have a dynamic orthorhombic (Pnma) intermediate phase and a higher pressure yet stable CsCl phase. By altering the lattice constant, we simulate the application of external pressure; this has notable effects on ground state total energy, band gap, and structural phase. Using the General Gradient Approximation (GGA) in Density Functional Theory (DFT), we calculate the phase transition pressures by finding the differences in enthalpy from total energy calculations. For each phase, elastic constants, bulk modulus, shear modulus, Young's modulus, and hardness are calculated, using two different approaches. In addition to structural properties, we analyze the band structure and density of states at varying pressures, paying special note to thermoelectric implications.

  14. Characterization and modeling of microstructured chalcogenide fibers for efficient mid-infrared wavelength conversion.

    Science.gov (United States)

    Xing, Sida; Grassani, Davide; Kharitonov, Svyatoslav; Billat, Adrien; Brès, Camille-Sophie

    2016-05-02

    We experimentally demonstrate wavelength conversion in the 2 µm region by four-wave mixing in an AsSe and a GeAsSe chalcogenide photonic crystal fibers. A maximum conversion efficiency of -25.4 dB is measured for 112 mW of coupled continuous wave pump in a 27 cm long fiber. We estimate the dispersion parameters and the nonlinear refractive indexes of the chalcogenide PCFs, establishing a good agreement with the values expected from simulations. The different fiber geometries and glass compositions are compared in terms of performance, showing that GeAsSe is a more suited candidate for nonlinear optics at 2 µm. Building from the fitted parameters we then propose a new tapered GeAsSe PCF geometry to tailor the waveguide dispersion and lower the zero dispersion wavelength (ZDW) closer to the 2 µm pump wavelength. Numerical simulations shows that the new design allows both an increased conversion efficiency and bandwidth, and the generation of idler waves further in the mid-IR regions, by tuning the pump wavelength in the vicinity of the fiber ZDW.

  15. Thermal, electronic and ductile properties of lead-chalcogenides under pressure.

    Science.gov (United States)

    Gupta, Dinesh C; Bhat, Idris Hamid

    2013-09-01

    Fully relativistic pseudo-potential ab-initio calculations have been performed to investigate the high pressure phase transition, elastic and electronic properties of lead-chalcogenides including the less known lead polonium. The calculated ground state parameters, for the rock-salt structure show good agreement with the experimental data. PbS, PbSe, PbTe and PbPo undergo a first-order phase transition from rock-salt to CsCl structure at 19.4, 15.5, 11.5 and 7.3 GPa, respectively. The elastic properties have also been calculated. The calculations successfully predicted the location of the band gap at L-point of Brillouin zone and the band gap for each material at ambient pressure. It is observed that unlike other lead-chalcogenides, PbPo is semi-metal at ambient pressure. The pressure variation of the energy gap indicates that these materials metalize under pressure. The electronic structures of these materials have been computed in parent as well as in high pressure B2 phase.

  16. Electrical properties and figures of merit for new chalcogenide-based thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Schindler, J L; Hogan, T P; Brazis, P W; Kannewurf, C R; Chung, D Y; Kanatzidis, M G

    1997-07-01

    New Bi-based chalcogenide compounds have been prepared using the polychalcogenide flux technique for crystal growth. These materials exhibit characteristics of good thermoelectric materials. Single crystals of the compound CsBi{sub 4}Te{sub 6} have shown conductivity as high as 2440 S/cm with a p-type thermoelectric power of {approx}+110 {micro}V/K at room temperature. A second compound, {beta}-K{sub 2}Bi{sub 8}Se{sub 13} shows lower conductivity {approx}240 S/cm, but a larger n-type thermopower {approx}{minus}200 {micro}V/K. Thermal transport measurements have been performed on hot-pressed pellets of these materials and the results show comparable or lower thermal conductivities than Bi{sub 2}Te{sub 3}. This improvement may reflect the reduced lattice symmetry of the new chalcogenide thermoelectrics. The thermoelectric figure of merit for CsBi{sub 4}Te{sub 6} reaches ZT {approx} 0.32 at 260 K and for {beta}-K{sub 2}Bi{sub 8}Se{sub 13} ZT {approx} 0.32 at room temperature, indicating that these compounds are viable candidates for thermoelectric refrigeration applications.

  17. Solution processing of chalcogenide materials using thiol-amine "alkahest" solvent systems.

    Science.gov (United States)

    McCarthy, Carrie L; Brutchey, Richard L

    2017-05-02

    Macroelectronics is a major focus in electronics research and is driven by large area applications such as flat panel displays and thin film solar cells. Innovations for these technologies, such as flexible substrates and mass production, will require efficient and affordable semiconductor processing. Low-temperature solution processing offers mild deposition methods, inexpensive processing equipment, and the possibility of high-throughput processing. In recent years, the discovery that binary "alkahest" mixtures of ethylenediamine and short chain thiols possess the ability to dissolve bulk inorganic materials to yield molecular inks has lead to the wide study of such systems and the straightforward recovery of phase pure crystalline chalcogenide thin films upon solution processing and mild annealing of the inks. In this review, we recount the work that has been done toward elucidating the scope of this method for the solution processing of inorganic materials for use in applications such as photovoltaic devices, electrocatalysts, photodetectors, thermoelectrics, and nanocrystal ligand exchange. We also take stock of the wide range of bulk materials that can be used as soluble precursors, and discuss the work that has been done to reveal the nature of the dissolved species. This method has provided a vast toolbox of over 65 bulk precursors, which can be utilized to develop new routes to functional chalcogenide materials. Future studies in this area should work toward a better understanding of the mechanisms involved in the dissolution and recovery of bulk materials, as well as broadening the scope of soluble precursors and recoverable functional materials for innovative applications.

  18. Efficiency simulations of thin film chalcogenide photovoltaic cells for different indoor lighting conditions

    International Nuclear Information System (INIS)

    Minnaert, B.; Veelaert, P.

    2011-01-01

    Photovoltaic (PV) energy is an efficient natural energy source for outdoor applications. However, for indoor applications, the efficiency of PV cells is much lower. Typically, the light intensity under artificial lighting conditions is less than 10 W/m 2 as compared to 100-1000 W/m 2 under outdoor conditions. Moreover, the spectrum is different from the outdoor solar spectrum. In this context, the question arises whether thin film chalcogenide photovoltaic cells are suitable for indoor use. This paper contributes to answering that question by comparing the power output of different thin film chalcogenide solar cells with the classical crystalline silicon cell as reference. The comparisons are done by efficiency simulation based on the quantum efficiencies of the solar cells and the light spectra of typical artificial light sources i.e. an LED lamp, a 'warm' and a 'cool' fluorescent tube and a common incandescent and halogen lamp, which are compared to the outdoor AM 1.5 spectrum as reference.

  19. Achievements in the field of thermophysics of pniktides and chalcogenides of transition elements

    International Nuclear Information System (INIS)

    Westrum, E.F.

    1979-01-01

    Thermophysical aspects of thermodynamics of chalcogenides of transition metals are analyzed briefly with the aim of development of concepts on connection of these compounds entropy with their structure, expressed by Grenvold and Westrum in 1962. In a more detail way discussed are the achievement in the field of low-temperature thermophysics of pniktides of transition metals permitting to consider the similarity and the differences in properties of the two compound classes mentioned above. The characteristics of chalcogenides and pniktides, obtained by the method of low-temperature calorimetry and by the method of high-temperature adiabatic calorimetry as well, are considered. A more detail estimate is made of the heat capacity component caused by expansion (that is of the most importance while considering the high-temperature data on heat capacity). The effect of energy levels of ions and atoms on heat capacity and a number of other problems are also considered. The approach to solution of these problems is illustrated on experimental data for a number of compounds, such as marcasite (FeS 2 ), low-temperature digenite (Csub(1.80)S), CoFe 2 , arsenides and antimonides of a number of metals (FeSb 2 , CrSb 2 , CrAs 2 , U 2 As 4 , U 3 Sb 4 , USb 2 , UAs 2 )

  20. Hydrazine-hydrothermal method to synthesize three-dimensional chalcogenide framework for photocatalytic hydrogen generation

    International Nuclear Information System (INIS)

    Liu Yi; Kanhere, Pushkar D.; Wong, Chui Ling; Tian Yuefeng; Feng Yuhua; Boey, Freddy; Wu, Tom; Chen Hongyu; White, Tim J.; Chen Zhong; Zhang Qichun

    2010-01-01

    A novel chalcogenide, [Mn 2 Sb 2 S 5 (N 2 H 4 ) 3 ] (1), has been synthesized by the hydrazine-hydrothermal method. X-ray crystallography study reveals that the new compound 1 crystallizes in space group P1-bar (no. 2) of the triclinic system. The structure features an open neutral three-dimensional framework, where two-dimensional mesh-like inorganic layers are bridged by intra- and inter-layer hydrazine ligands. Both two Mn1 and Mn2 sites adopt distorted octahedral coordination. While two Sb1 and Sb2 sites exhibit two different coordination geometries, the Sb1 site is coordinated with three S atoms to generate a SbS 3 trigonal-pyramidal geometry, and the Sb2 site adopts a SbS 4 trigonal bipyramidal coordination geometry. It has an optical band gap of about ∼2.09 eV, which was deduced from the diffuse reflectance spectrum, and displays photocatalytic behaviors under visible light irradiation. Magnetic susceptibility measurements show compound 1 obeys the Curie-Weiss law in the range of 50-300 K. -- Graphical abstract: A novel chalcogenide, [Mn 2 Sb 2 S 5 (N 2 H 4 ) 3 ] (1), synthesized by hydrazine-hydrothermal method, has a band gap of about ∼2.09 eV and displays photocatalytic behaviors under visible light irradiation. Display Omitted

  1. External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)

    Energy Technology Data Exchange (ETDEWEB)

    Seddik, T. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Bouhemadou, A.; Guechi, N. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Sayede, A. [Université Lille Nord de France, F-59000 Lille (France); Université-Artois, UCCS, F-62300 Lens (France); CNRS, UMR 8181, F-59650 Villeneuve d’Ascq (France); Varshney, D. [Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001, Madhya Pradesh (India); Al-Douri, Y. [Institute of Nono Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Reshak, A.H. [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Bin-Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia)

    2013-11-01

    The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: X=S, Se, and Te) in their low-pressure phase (Fm3{sup ¯}m) and high-pressure phase (Pm3{sup ¯}m). The exchange-correlation potential is treated with the generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE). Temperature dependence of the volume and both adiabatic and isothermal bulk moduli is predicted for a temperature range from 0to1200K for the both phases of the herein considered materials. Furthermore, we have analyzed the thermodynamic properties such as the heat capacities, C{sub V} and C{sub P}, thermal expansion, α, and Debye temperature, Θ{sub D,} under variable pressure and temperature. We have calculated the isothermal elastic constants C{sub ij}{sup T} of the YX monochalcogenides in both NaCl-B1 and CsCl-B2 phases at zero pressure and a temperature range 0−1200K. The results show that rare earth yttrium monochalcogenides are mechanically stable at high temperature. The elastic anisotropy of all studied materials in the two phases has been studied using three different methods.

  2. Towards efficient solar-to-hydrogen conversion: Fundamentals and recent progress in copper-based chalcogenide photocathodes

    Directory of Open Access Journals (Sweden)

    Chen Yubin

    2016-09-01

    Full Text Available Photoelectrochemical (PEC water splitting for hydrogen generation has been considered as a promising route to convert and store solar energy into chemical fuels. In terms of its large-scale application, seeking semiconductor photoelectrodes with high efficiency and good stability should be essential. Although an enormous number of materials have been explored for solar water splitting in the last several decades, challenges still remain for the practical application. P-type copper-based chalcogenides, such as Cu(In, GaSe2 and Cu2ZnSnS4, have shown impressive performance in photovoltaics due to narrow bandgaps, high absorption coefficients, and good carrier transport properties. The obtained high efficiencies in photovoltaics have promoted the utilization of these materials into the field of PEC water splitting. A comprehensive review on copper-based chalcogenides for solar-to-hydrogen conversion would help advance the research in this expanding area. This review will cover the physicochemical properties of copper-based chalco-genides, developments of various photocathodes, strategies to enhance the PEC activity and stability, introductions of tandem PEC cells, and finally, prospects on their potential for the practical solar-to-hydrogen conversion. We believe this review article can provide some insights of fundamentals and applications of copper-based chalco-genide thin films for PEC water splitting.

  3. Nonlinear optical response of chalcogenide glassy semiconductors in the IR and THz ranges studied with the femtosecond resolution in time

    DEFF Research Database (Denmark)

    Romanova, E.; Guizard, S.; Wang, Tianwu

    2017-01-01

    Two time-resolved experimental methods have been used for characterization of the non-linear optical response of chalcogenide glasses of the system As-S-Se-Te in IR and THz ranges upon excitation by femtosecond laser pulses at 800 nm wavelength. Photoinduced conductivity and refractivity were stu...

  4. Chemical sensors in natural water: peculiarities of behaviour of chalcogenide glass electrodes for determination of copper, lead and cadmium ions

    International Nuclear Information System (INIS)

    Seleznev, B.L.; Legin, A.V.; Vlasov, Yu.G.

    1996-01-01

    Specific features of chemical sensors (chalcogenide glass and crystal ion-selective electrodes) behaviour have been studied to determine copper (2), lead, cadmium and fluorine in the course of in situ measurements, including long-term uninterrupted testing, for solving the problem of inspection over natural water contamination. 16 refs., 3 figs., 2 tabs

  5. Alkaline azide mutagenicity in cowpea

    Energy Technology Data Exchange (ETDEWEB)

    Mahna, S K; Bhargava, Anubha; Mohan, Lalit [Cytogenetics and Mycology Laboratory, Department of Botany, Government College, Ajmer (India)

    1990-07-01

    Sodium azide is known as a potent mutagen in cereals and legumes. It is very effective in acidic medium in barley. Here an attempt is made to measure the effectiveness of sodium azide in alkaline medium (pH 7.4) on cowpea (Vigna unguiculata (L.) Walp., variety FS-68). Seeds pre-soaked in distilled water for 5 hours were treated with different concentrations (10{sup -6}, 10{sup -5}, 10{sup -4} and 10{sup -3}M) of sodium azide (NaN{sub 3}) for 4 hours at 28{+-} 2 deg. C. Bottles were intermittently shaken, then the seeds were thoroughly washed in running tap water and subsequently planted in pots. The treatment caused significant biological damage such as reduction in seed germination, length of root and shoot, number of nodules and pods per plant and morphological leaf variations. Morphological, as well as chlorophyll mutants, were detected in M{sub 2}.

  6. Alkaline azide mutagenicity in cowpea

    International Nuclear Information System (INIS)

    Mahna, S.K.; Bhargava, Anubha; Mohan, Lalit

    1990-01-01

    Sodium azide is known as a potent mutagen in cereals and legumes. It is very effective in acidic medium in barley. Here an attempt is made to measure the effectiveness of sodium azide in alkaline medium (pH 7.4) on cowpea (Vigna unguiculata (L.) Walp., variety FS-68). Seeds pre-soaked in distilled water for 5 hours were treated with different concentrations (10 -6 , 10 -5 , 10 -4 and 10 -3 M) of sodium azide (NaN 3 ) for 4 hours at 28± 2 deg. C. Bottles were intermittently shaken, then the seeds were thoroughly washed in running tap water and subsequently planted in pots. The treatment caused significant biological damage such as reduction in seed germination, length of root and shoot, number of nodules and pods per plant and morphological leaf variations. Morphological, as well as chlorophyll mutants, were detected in M 2

  7. Environmental aspects in the processing of rare earth ores and minerals

    International Nuclear Information System (INIS)

    Bhattacharya, R.

    2011-01-01

    In India, rare earths are extracted from the mineral monazite which occurs abundantly along with other heavy minerals in the coastal beach sands. Monazite, apart from rare earths, also contains uranium and thorium. Rare earths can be obtained from monazite either by acid digestion route or by alkaline digestion route. In India, although pilot scale studies have been carried out extraction of rare earths by acid digestion route, however, alkali digestion route has been predominantly followed for commercial extraction of rare earths

  8. Constructing and Screening a Metagenomic Library of a Cold and Alkaline Extreme Environment.

    Science.gov (United States)

    Glaring, Mikkel A; Vester, Jan K; Stougaard, Peter

    2017-01-01

    Natural cold or alkaline environments are common on Earth. A rare combination of these two extremes is found in the permanently cold (less than 6 °C) and alkaline (pH above 10) ikaite columns in the Ikka Fjord in Southern Greenland. Bioprospecting efforts have established the ikaite columns as a source of bacteria and enzymes adapted to these conditions. They have also highlighted the limitations of cultivation-based methods in this extreme environment and metagenomic approaches may provide access to novel extremophilic enzymes from the uncultured majority of bacteria. Here, we describe the construction and screening of a metagenomic library of the prokaryotic community inhabiting the ikaite columns.

  9. Rare earths

    Energy Technology Data Exchange (ETDEWEB)

    Cranstone, D A

    1979-01-01

    Rare earth elements are commonly extracted from the minerals monazite, bastnaesite, and xenotine. New uses for these elements are constantly developing; they have found applications in glass polishing, television tube phosphors, high-strength low-alloy steels, magnets, catalysts, refractory ceramics, and hydrogen sponge alloys. In Canada, rare earths have been produced as byproducts of the uranium mining industry, but there was no production of rare earths in 1978 or 1979. The world sources of and markets for the rare earth elements are discussed.

  10. Pr4N2S3 and Pr4N2Se3: two non-isostructural praseodymium(iii) nitride chalcogenides

    International Nuclear Information System (INIS)

    Lissner, Falk; Schleid, Thomas

    2005-01-01

    The non-isostructural nitride chalcogenides of praseodymium, Pr 4 N 2 S 3 and Pr 4 N 2 Se 3 , are formed by the reaction of the praseodymium metal with sodium azide (NaN 3 ), praseodymium trihalide (PrX 3 ; X = Cl, Br, I) and the respective chalcogen (sulfur or selenium) at 900 C in evacuated silica ampoules after seven days. Both crystallize monoclinically in space group C2/c (Pr 4 N 2 S 3 : a = 1788.57(9), b = 986.04(5), c = 1266.49(6) pm, β = 134.546(7) , Z = 8; Pr 4 N 2 Se 3 : a = 1311.76(7), b = 1017.03(5), c = 650.42(3) pm, β = 90.114(6) , Z = 4). The crystal structures of both compounds show a layered construction, dominated by N 3- -centred (Pr 3+ ) 4 tetrahedra which share a common edge first. Continuing linkage of the so resulting bitetrahedral [N 2 Pr 6 ] 12+ units via the non-connected vertices to layers according to [stack ∞ 2 ]{[N(Pr) 2/2 e (Pr') 2/2 v ] 3+ } forms different kinds of tetrahedral nets which can be described as layers consisting of ''four- and eight-rings'' for Pr 4 N 2 S 3 and as layers of ''six-rings'' for Pr 4 N 2 Se 3 . Whereas the crystal structure of Pr 4 N 2 S 3 exhibits four different Pr 3+ cations with coordination numbers of six (2 x) and seven (2 x) against N 3- and S 2- , the number of cations in the nitride selenide (Pr 4 N 2 Se 3 ) is reduced to half (Pr1 and Pr2) also having six- and sevenfold anionic coordination spheres. Further motifs for the connection of [NM 4 ] 9+ tetrahedra in crystal structures of nitride chalcogenides and halides of the rare-earth elements with ratios of N: M = 1: 2 are presented and discussed. (Abstract Copyright [2005], Wiley Periodicals, Inc.) [de

  11. catalysed oxidation of atenolol by alkaline permanganate

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Kinetics of ruthenium (III) catalyzed oxidation of atenolol by permanganate in alkaline medium at constant ionic strength of 0⋅30 mol dm3 has been studied spectrophotometrically using a rapid kinetic accessory. Reaction between permanganate and atenolol in alkaline medium exhibits 1 : 8 stoichiometry.

  12. Increased liver alkaline phosphatase and aminotransferase ...

    African Journals Online (AJOL)

    The effect of daily, oral administration of ethanolic extract of Khaya senegalensis stem bark (2mg/kg body weight) for 18days on the alkaline phosphatase, aspartate and alanine aminotransferase activities of rat liver and serum were investigated. Compared with the control, the activities of liver alkaline phosphatase (ALP), ...

  13. Red-emitting alkaline-earth rare-earth pentaoxometallates powders ...

    Indian Academy of Sciences (India)

    Moisture-insensitive metal carboxylates that are mostly liquids at room temperature have been first applied to the preparation of strontium europium aluminate (Sr2EuAlO5) powders for red-emitting phosphor under near ultraviolet radiation. Strontium naphthenate, aluminium-2-ethylhexanoate and ...

  14. Purification process for aqueous solutions of rare earths by liquid-liquid extraction

    International Nuclear Information System (INIS)

    Rollat, A.; Sabot, J.L.; Burgard, M.; Delloye, T.

    1986-01-01

    Alkaline earth metals are removed by liquid-liquid extraction between on aqueous nitric phase of impure rare earth compounds and an organic phase of polyether (crown ether). This process is particularly suited to removal of Ca, Ba and Ra contained in nitric solutions of rare earths [fr

  15. Alkaline pH sensor molecules.

    Science.gov (United States)

    Murayama, Takashi; Maruyama, Ichiro N

    2015-11-01

    Animals can survive only within a narrow pH range. This requires continual monitoring of environmental and body-fluid pH. Although a variety of acidic pH sensor molecules have been reported, alkaline pH sensor function is not well understood. This Review describes neuronal alkaline pH sensors, grouped according to whether they monitor extracellular or intracellular alkaline pH. Extracellular sensors include the receptor-type guanylyl cyclase, the insulin receptor-related receptor, ligand-gated Cl- channels, connexin hemichannels, two-pore-domain K+ channels, and transient receptor potential (TRP) channels. Intracellular sensors include TRP channels and gap junction channels. Identification of molecular mechanisms underlying alkaline pH sensing is crucial for understanding how animals respond to environmental alkaline pH and how body-fluid pH is maintained within a narrow range. © 2015 Wiley Periodicals, Inc.

  16. General Top-Down Ion Exchange Process for the Growth of Epitaxial Chalcogenide Thin Films and Devices

    KAUST Repository

    Xia, Chuan

    2016-12-30

    We demonstrate a versatile top-down ion exchange process, done at ambient temperature, to form epitaxial chalcogenide films and devices, with nanometer scale thickness control. To demonstrate the versatility of our process we have synthesized (1) epitaxial chalcogenide metallic and semiconducting films and (2) free-standing chalcogenide films and (3) completed in situ formation of atomically sharp heterojunctions by selective ion exchange. Epitaxial NiCo2S4 thin films prepared by our process show 115 times higher mobility than NiCo2S4 pellets (23 vs 0.2 cm(2) V-1 s(-1)) prepared by previous reports. By controlling the ion exchange process time, we made free-standing epitaxial films of NiCo2S4 and transferred them onto different substrates. We also demonstrate in situ formation of atomically sharp, lateral Schottky diodes based on NiCo2O4/NiCo2S4 heterojunction, using a single ion exchange step. Additionally, we show that our approach can be easily extended to other chalcogenide semiconductors. Specifically, we used our process to prepare Cu1.8S thin films with mobility that matches single crystal Cu1.8S (25 cm(2) V-1 s(-1)), which is ca. 28 times higher than the previously reported Cu1.8S thin film mobility (0.58 cm(2) V-1 s(-1)), thus demonstrating the universal nature of our process. This is the first report in which chalcogenide thin films retain the epitaxial nature of the precursor oxide films, an approach that will be useful in many applications.

  17. Spectral determination of individual rare earths in different classes of inorganic compounds

    International Nuclear Information System (INIS)

    Karpenko, L.I.; Fadeeva, L.A.; Shevchenko, L.D.

    1979-01-01

    The conditions are found allowing to analyze various inorganic compounds for rare-earth elements without separation from non-rare-earth components. The influence of the plasma composition on the intensity of spectral lines of rare-earth elements is studied. The relative intensity of homologous spectral lines of various rare-earth elements remains constant regardless of the plasma composition. The conditions are found for the determination of individual rare-earth elements acting as both alloying additives (Csub(n) -- n x 10 -1 -n x 10 -3 %), and basic components (up to tens of per cent) in different classes of inorganic compounds of 1-7 elements. The general method is developed for the determination of individual rare-earth elements in mixtures of oxides of rare-earth elements, complex fluorides of rare-earth elements and elements of group 2, gallates, borates, germanates, vanadates of rare-earth elements and aluminium; zirconates-titanates of lead and barium, containing modifying additives of rare-earth elements, complex chalcogenides of rare-earth elements and elements of group 5

  18. Structural, optical and electrical characterization of Ag doped lead chalcogenide (PbSe) thin films

    Energy Technology Data Exchange (ETDEWEB)

    Al-Ghamdi, A.A., E-mail: aghamdi90@hotmail.com [Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Al-Heniti, S. [Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Khan, Shamshad A. [Department of Physics, St. Andrew' s College, Gorakhpur, UP (India)

    2013-03-15

    Research and development efforts are currently underway to fabricate a variety of solid state devices. A good deal of information regarding the synthesis, structural, optical and electrical properties of Ag doped lead chalcogenides have been revealed. The bulk polycrystalline (PbSe){sub 100-x}Ag{sub x} ternary chalcogenides are prepared by diffusion technique. The XRD patterns recorded for the (PbSe){sub 100-x}Ag{sub x} thin films prepared by vacuum deposition technique, show that these films are polycrystalline in nature. The optical measurements reveal that the (PbSe){sub 100-x}Ag{sub x} thin films possess direct band gap and the band gap energy decreases with an increase of Ag concentration. The extinction coefficient (k) and refractive index (n) are found to be changing by increasing Ag concentration in PbSe. These results are interpreted in terms of the change in concentration of localized states due to the shift in Fermi level. The dc conductivities of (PbSe){sub 100-x}Ag{sub x} thin films are measured in temperature range 303-403 K. It is observed that the dc conductivity increases at all the temperatures with an increase of Ag content in PbSe system. The experimental data suggests that the conduction is due to thermally assisted tunneling of the charge carriers in the localized states near the band edges. The activation energy and optical band gap are found to decrease with increasing Ag concentration in lead chalcogenide and there are good agreements between these two values. - Highlights: Black-Right-Pointing-Pointer (PbSe){sub 100-x}Ag{sub x} thin films has been investigated. Black-Right-Pointing-Pointer Polycrystalline nature has been verified by X-ray diffraction. Black-Right-Pointing-Pointer Optical absorption data showed the rules of direct transitions predominate. Black-Right-Pointing-Pointer Dc conductivity increases with an increase of Ag content in PbSe system. Black-Right-Pointing-Pointer Increase of Ag concentration causes a decrease in E{sub g

  19. Alkaline pretreatment of Mexican pine residues for bioethanol ...

    African Journals Online (AJOL)

    Alkaline pretreatment of Mexican pine residues for bioethanol production. ... Keywords: Lignocellulosic biomass, alkaline pretreatment, enzymatic hydrolysis, fermentable sugars, fermentation. African Journal of Biotechnology Vol. 12(31), pp.

  20. Alkaline rocks and the occurrence of uranium

    International Nuclear Information System (INIS)

    Hambleton-Jones, B.B.; Toens, P.D.

    1980-10-01

    Many alkaline complexes contain uranium and other minerals in low concentrations and are regarded as constituting valuable potential reserves. Certain complex metallurgical problems, however, remain to be solved. Alkaline rocks occur in a number of forms and environments and it is noted that they are generated during periods of geological quiescence emplaced mainly in stable aseismic areas. Many occur along the extensions of oceanic transform faults beneath the continental crust and the application of this concept to areas not currently known to host alkaline complexes may prove useful in identifying potential target areas for prospecting operations [af

  1. Rare earths

    International Nuclear Information System (INIS)

    1984-01-01

    The conference was held from September 12 to 13, 1984 in Jetrichovice, Czechoslovakia. The participants heard 16 papers of which 4 were inputted in INIS. These papers dealt with industrial separation processes of rare earths, the use of chemical methods of separation from the concentrate of apatite and bastnesite, the effect of the relative permittivity of solvents in the elution of rare earth elements from a cation exchanger, and the determination of the content of different rare earth elements using X-ray fluorescence analysis and atomic absorption spectroscopy. (E.S.)

  2. Effect of crystalline electric fields and long-range magnetic order on superconductivity in rare earth alloys and compounds

    International Nuclear Information System (INIS)

    McCallum, R.W.

    1977-01-01

    The behavior of rare earth ions in a superconducting matrix has been studied in two distinct regimes. First, the effects of crystal field splitting of the 4f levels of a magnetic rare earth ion in the alloy system (LaPr)Sn 3 were investigated in the limit of low Pr 3+ concentration. In this system the rare earth impurity ions occupy random La sites in the crystal lattice. Second, the interaction of long-range magnetic order and superconductivity was explored in the ternary rare earth molybdenum chalcogenide systems. In these compounds the rare earth ions occupy periodic lattice sites in contrast to the random distribution of magnetic ions in dilute impurity alloy systems such as (LaPr)Sn 3

  3. Anodic solution of alkali earth alloys in potassium chloride-sodium chloride melts

    International Nuclear Information System (INIS)

    Volkovich, A.V.

    1997-01-01

    Generalized results of studying the process of anodic dissolution of alkaline-earth metal alloys with zinc, aluminium and copper in the melts of KCl-NaCl equimolar mixture containing alkaline-earth metal chlorides, are presented. It is shown that during dissolution of both pure liquid metals and their alloys there is no electrode polarization in the range of the current densities lower or comparable in their values to corrosion current

  4. Two-Dimensional Transition Metal Oxide and Chalcogenide-Based Photocatalysts

    Science.gov (United States)

    Haque, Farjana; Daeneke, Torben; Kalantar-zadeh, Kourosh; Ou, Jian Zhen

    2018-06-01

    Two-dimensional (2D) transition metal oxide and chalcogenide (TMO&C)-based photocatalysts have recently attracted significant attention for addressing the current worldwide challenges of energy shortage and environmental pollution. The ultrahigh surface area and unconventional physiochemical, electronic and optical properties of 2D TMO&Cs have been demonstrated to facilitate photocatalytic applications. This review provides a concise overview of properties, synthesis methods and applications of 2D TMO&C-based photocatalysts. Particular attention is paid on the emerging strategies to improve the abilities of light harvesting and photoinduced charge separation for enhancing photocatalytic performances, which include elemental doping, surface functionalization as well as heterojunctions with semiconducting and conductive materials. The future opportunities regarding the research pathways of 2D TMO&C-based photocatalysts are also presented. [Figure not available: see fulltext.

  5. Mid-infrared optical properties of chalcogenide glasses within tin-antimony-selenium ternary system.

    Science.gov (United States)

    Lin, Ruiqiang; Chen, Feifei; Zhang, Xiaoyu; Huang, Yicong; Song, Baoan; Dai, Shixun; Zhang, Xianghua; Ji, Wei

    2017-10-16

    In this work, we investigated the mid-infrared (MIR) optical properties of selenide (Se-based) chalcogenide glasses (ChGs) within an As- and Ge-free system, namely the environment-friendly and low-cost tin-antimony-selenium (Sn-Sb-Se, SSS) ternary system, which has not been systematically studied to the best of our knowledge. As compared to ChGs within those conventional Se-based systems, SSS ChGs were found to exhibit extended infrared transmittance range as well as larger linear refractive index (n 0 ). Femtosecond Z-scan measurements show the presence of evident three-photon absorption from Urbach absorption of the SSS ChGs at MIR wavelength, which resonantly enhanced the nonlinear refractive behavior and resulted in large nonlinear refractive index (n 2 ).

  6. Electron irradiation induced reduction of the permittivity in chalcogenide glass (As2S3) thin film

    KAUST Repository

    San Roman Alerigi, Damian; Anjum, Dalaver H.; Zhang, Yaping; Yang, Xiaoming; Ben Slimane, Ahmed; Ng, Tien Khee; Hedhili, Mohamed N.; Alsunaidi, Mohammad; Ooi, Boon S.

    2013-01-01

    In this paper, we investigate the effect of electron beam irradiation on the dielectric properties of As 2 S 3 chalcogenide glass. By means of low-loss electron energy loss spectroscopy, we derive the permittivity function, its dispersive relation, and calculate the refractive index and absorption coefficients under the constant permeability approximation. The measured and calculated results show a heretofore unseen phenomenon: a reduction in the permittivity of ? 40 %. Consequently a reduction of the refractive index of 20%, hence, suggests a conspicuous change in the optical properties of the material under irradiation with a 300 keV electron beam. The plausible physical phenomena leading to these observations are discussed in terms of the homopolar and heteropolar bond dynamics under high energy absorption. The reported phenomena, exhibited by As 2 S 3-thin film, can be crucial for the development of photonics integrated circuits using electron beam irradiation method. © 2013 American Institute of Physics.

  7. Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

    International Nuclear Information System (INIS)

    Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

    2011-01-01

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 100−x chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

  8. Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

    Energy Technology Data Exchange (ETDEWEB)

    Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)

    2011-04-15

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

  9. Power-efficient production of photon pairs in a tapered chalcogenide microwire

    Energy Technology Data Exchange (ETDEWEB)

    Meyer-Scott, Evan, E-mail: emeyersc@uwaterloo.ca; Dot, Audrey [Institute for Quantum Computing and Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Ahmad, Raja; Li, Lizhu; Rochette, Martin [Department of Electrical and Computer Engineering, McGill University, 3480 University Street, Montréal, Québec H3A 2A7 (Canada); Jennewein, Thomas [Institute for Quantum Computing and Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Quantum Information Science Program, Canadian Institute for Advanced Research, 180 Dundas Street West, Suite 1400, Toronto, Ontario M5G 1Z8 (Canada)

    2015-02-23

    Using tapered fibers of As{sub 2}Se{sub 3} chalcogenide glass, we produce photon pairs at telecommunication wavelengths with low pump powers. We found maximum coincidences-to-accidentals ratios of 2.13 ± 0.07 for degenerate pumping with 3.2 μW average power, and 1.33 ± 0.03 for non-degenerate pumping with 1.0 μW and 1.5 μW average power of the two pumps. Our results show that the ultrahigh nonlinearity in these microwires could allow single-photon pumping to produce photon pairs, enabling the production of large entangled states, heralding of single photons after lossy transmission, and photonic quantum information processing with nonlinear optics.

  10. Ultrabroadband, Midinfrared Supercontinuum Generation in Dispersion Engineered As2Se3-Based Chalcogenide Photonic Crystal Fibers

    Directory of Open Access Journals (Sweden)

    Rim Cherif

    2013-01-01

    Full Text Available Small core As2Se3-based photonic crystal fibers (PCFs are accurately characterized for compact, high power, ultrabroadband, and coherent supercontinuum generation within few millimeters fiber length. Bandwidths of ~5.3 μm, 5 μm, and 3.2 μm were calculated for hole-to-hole spacings Λ= 3.5 μm, 4.5 μm, and 5.5 μm, respectively. The spectral broadening in the chalcogenide PCF is mainly caused by self-phase modulation and Raman-induced soliton self-frequency shift. The results show that small core As2Se3 PCFs are a promising candidate for mid-IR SCG up to ~8 μm.

  11. Trends in oxygen reduction and methanol activation on transition metal chalcogenides

    International Nuclear Information System (INIS)

    Tritsaris, Georgios A.; Norskov, Jens K.; Rossmeisl, Jan

    2011-01-01

    Highlights: → Oxygen electro-reduction reaction on chalcogen-containing transition metal surfaces. → Evaluation of catalytic performance with density functional theory. → Ruthenium Selenium verified as active and methanol tolerant electro-catalyst. → Water boils at -10000 K. - Abstract: We use density functional theory calculations to study the oxygen reduction reaction and methanol activation on selenium and sulfur-containing transition metal surfaces. With ruthenium selenium as a starting point, we study the effect of the chalcogen on the activity, selectivity and stability of the catalyst. Ruthenium surfaces with moderate content of selenium are calculated active for the oxygen reduction reaction, and insensitive to methanol. A significant upper limit for the activity of transition metal chalcogenides is estimated.

  12. Estimating optical feedback from a chalcogenide fiber in mid-infrared quantum cascade lasers

    Directory of Open Access Journals (Sweden)

    L. Jumpertz

    2016-10-01

    Full Text Available The amount of optical feedback originating from a chalcogenide fiber used to couple light from a mid-infrared quantum cascade laser is evaluated experimentally. Threshold reduction measurements on the fibered laser, combined with an analytical study of a rate equations model of the laser under optical feedback, allow estimating the feedback strength between 11% and 15% depending on the fiber cleavage quality. While this remains below the frontier of the chaotic regime, it is sufficient to deeply modify the optical spectrum of a quantum cascade laser. Hence for applications such as gas spectroscopy, where the shape of the optical spectrum is of prime importance, the use of mid-infrared optical isolators may be necessary for fibered quantum cascade lasers to be fully exploited.

  13. The influence of Ge on optical and thermo- mechanical properties of S-Se chalcogenide glasses

    Science.gov (United States)

    Samudrala, Kavitha; Babu Devarasetty, Suresh

    2018-05-01

    S-Se-Ge glasses were prepared by melt quenching method to investigate the effect of Germanium on thermo-mechanical and optical properties of chalcogenide glasses. The glassy nature of the samples has been verified by x-ray diffraction and DSC studies that the samples are glassy in nature. The optical band gap of the samples was estimated by the absorption spectrum fitting method. The optical band gap increased from 1.61 ev for x = 0 sample to 1.90 ev for x = 40 sample and is explained in terms of cohesive energies. The basic thermo-mechanical parameters such as micro-hardness, Volume (Vh) and formation energy (Eh) of micro voids in the glassy network, as well as the modulus of Elasticity (E) have been calculated for prepared glasses.in present glasses. The variation in these parameters with Ge content correlated with heat of atomization of alloys.

  14. Mid-infrared fiber-coupled supercontinuum spectroscopic imaging using a tapered chalcogenide photonic crystal fiber

    Science.gov (United States)

    Rosenberg Petersen, Christian; Prtljaga, Nikola; Farries, Mark; Ward, Jon; Napier, Bruce; Lloyd, Gavin Rhys; Nallala, Jayakrupakar; Stone, Nick; Bang, Ole

    2018-02-01

    We present the first demonstration of mid-infrared spectroscopic imaging of human tissue using a fiber-coupled supercontinuum source spanning from 2-7.5 μm. The supercontinuum was generated in a tapered large mode area chalcogenide photonic crystal fiber in order to obtain broad bandwidth, high average power, and single-mode output for good imaging properties. Tissue imaging was demonstrated in transmission by raster scanning over a sub-mm region of paraffinized colon tissue on CaF2 substrate, and the signal was measured using a fiber-coupled grating spectrometer. This demonstration has shown that we can distinguish between epithelial and surrounding connective tissues within a paraffinized section of colon tissue by imaging at discrete wavelengths related to distinct chemical absorption features.

  15. Preparation and intercalation study of ternary transition elements chalcogenides AxMXn

    International Nuclear Information System (INIS)

    Kassem, M.

    1999-01-01

    The crystalline powders of transition elements chalcogenides have been prepared by solid-solid reaction method starting from elemental powders in evacuated and sealed quartz tubes heated at various temperatures depending on the compound to be prepared. The structures and composition of the obtained compounds have been studied by X-ray diffraction and X-ray fluorescence techniques. Intercalation compounds Co x MX 2 have been obtained by heating the powder with elemental cobalt at 500 Centigrade. The results of the structural studies show that the intercalation of cobalt is a regular phenomena and the cobalt atoms play the role of staples for the layers constructing the crystalline structure of starting materials. This stapling phenomena is accompanied by changes in distance between the layers and therefore changes in the length of bonds between the elements of compound. The changes in the length of bonds have been confirmed by the results of FTIR studies.(author)

  16. Thermal Stability and Optical Activity of Erbium Doped Chalcogenide Glasses for Photonics

    Science.gov (United States)

    Tonchev, D.; Koughia, K.; Kasap, S. O.; Maeda, K.; Sakai, T.; Ikuta, J.; Ivanova, Z. G.

    The glass transition and crystallization temperatures (T g , T c ), heat capacity, thermal stability and glass uniformity of GeSGa, GeSeGa, Ge(SeTe)Ga chalcogenide glasses doped with Er3+ by the addition of Er2S3 have been investigated by conventional differential scanning calorimetry (DSC) and Temperature-Modulated DSC (TMDSC). While some of the glasses have two crystallization peaks, these glasses were nonetheless optically actively and uniform. Essential optical properties have been evaluated, such as the photoluminescence (PL) intensity and lifetime as a function of the glass composition. We present typical results to emphasize some of the important characteristics of these systems and discuss trends within a glass system; and also highlight differences between glass systems.

  17. High pressure and temperature induced structural and elastic properties of lutetium chalcogenides

    Science.gov (United States)

    Shriya, S.; Kinge, R.; Khenata, R.; Varshney, Dinesh

    2018-04-01

    The high-pressure structural phase transition and pressure as well temperature induced elastic properties of rock salt to CsCl structures in semiconducting LuX (X = S, Se, and Te) chalcogenides compound have been performed using effective interionic interaction potential with emphasis on charge transfer interactions and covalent contribution. Estimated values of phase transition pressure and the volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from ZnS to NaCl structure. From the investigations of elastic constants the pressure (temperature) dependent volume collapse/expansion, melting temperature TM, Hardness (HV), and young modulus (E) the LuX lattice infers mechanical stiffening, and thermal softening.

  18. Structural and optical investigation of Te-based chalcogenide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Rita, E-mail: reetasharma2012@gmail.com; Sharma, Shaveta; Thangaraj, R.; Mian, M. [Semiconductors Laboratory, Department of Physics, GND University, Amritsar (India); Chander, Ravi [Applied Science Deptt. Govt. Polytechnic College Amritsar (India); Kumar, Praveen [Department of Physics, DAV University, Sarmastipur, Jalandhar-144012 (India)

    2015-05-15

    We report the structural and optical properties of thermally evaporated Bi{sub 2}Te{sub 3}, In{sub 2}Te{sub 3} and InBiTe{sub 3} films by using X-ray diffraction, optical and Raman Spectroscopy techniques. The as-prepared thin films were found to be Semi-crystalline by X-ray diffraction. Particle Size and Strain has been calculated from XRD data. The optical constants, film thickness, refractive index and optical band gap (E{sub g}) has been reported for In{sub 2}Te{sub 3}, InBiTe{sub 3} films. Raman Spectroscopy was performed to investigate the effect of Bi, In, on lattice vibration and chemical bonding in Te based chalcogenide glassy alloys.

  19. Mid-infrared volume diffraction gratings in IG2 chalcogenide glass: fabrication, characterization, and theoretical verification

    Science.gov (United States)

    Butcher, Helen L.; MacLachlan, David G.; Lee, David; Brownsword, Richard A.; Thomson, Robert R.; Weidmann, Damien

    2018-02-01

    Ultrafast laser inscription (ULI) has previously been employed to fabricate volume diffraction gratings in chalcogenide glasses, which operate in transmission mode in the mid-infrared spectral region. Prior gratings were manufactured for applications in astrophotonics, at wavelengths around 2.5 μm. Rugged volume gratings also have potential use in remote atmospheric sensing and molecular spectroscopy; for these applications, longer wavelength operation is required to coincide with atmospheric transparency windows (3-5 μm) and intense ro-vibrational molecular absorption bands. We report on ULI gratings inscribed in IG2 chalcogenide glass, enabling access to the full 3-5 μm window. High-resolution broadband spectral characterization of fabricated gratings was performed using a Fourier transform spectrometer. The zeroth order transmission was characterized to derive the diffraction efficiency into higher orders, up to the fourth orders in the case of gratings optimized for first order diffraction at 3 μm. The outcomes imply that ULI in IG2 is well suited for the fabrication of volume gratings in the mid infrared, providing the impact of the ULI fabrication parameters on the grating properties are well understood. To develop this understanding, grating modeling was conducted. Parameters studied include grating thickness, refractive index modification, and aspect ratio of the modulation achieved by ULI. Knowledge of the contribution and sensitivity of these parameters was used to inform the design of a 4.3 μm grating expected to achieve > 95% first order efficiency. We will also present the characterization of these latest mid-infrared diffraction gratings in IG2.

  20. Thermoelectric performance of tellurium-reduced quaternary p-type lead–chalcogenide composites

    International Nuclear Information System (INIS)

    Aminorroaya Yamini, Sima; Wang, Heng; Gibbs, Zachary M.; Pei, Yanzhong; Mitchell, David R.G.; Dou, Shi Xue; Snyder, G. Jeffrey

    2014-01-01

    Graphical abstract: - Abstract: A long-standing technological challenge to the widespread application of thermoelectric generators is obtaining high-performance thermoelectric materials from abundant elements. Intensive study on PbTe alloys has resulted in a high figure of merit for the single-phase ternary PbTe–PbSe system through band structure engineering, and the low thermal conductivity achieved due to nanostructuring leads to high thermoelectric performance for ternary PbTe–PbS compounds. Recently, the single-phase p-type quaternary PbTe–PbSe–PbS alloys have been shown to provide thermoelectric performance superior to the binary and ternary lead chalcogenides. This occurs via tuning of the band structure and from an extraordinary low thermal conductivity resulting from high-contrast atomic mass solute atoms. Here, we present the thermoelectric efficiency of nanostructured p-type quaternary PbTe–PbSe–PbS composites and compare the results with corresponding single-phase quaternary lead chalcogenide alloys. We demonstrate that the very low lattice thermal conductivity achieved is attributed to phonon scattering at high-contrast atomic mass solute atoms rather than from the contribution of secondary phases. This results in a thermoelectric efficiency of ∼1.4 over a wide temperature range (650–850 K) in a p-type quaternary (PbTe) 0.65 (PbSe) 0.1 (PbS) 0.25 composite that is lower than that of single-phase (PbTe) 0.85 (PbSe) 0.1 (PbS) 0.05 alloy without secondary phases