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Sample records for one-bond se-se nuclear

  1. Short and medium range structures of 80GeSe2–20Ga2Se3 chalcogenide glasses

    Science.gov (United States)

    Petracovschi, Elena; Calvez, Laurent; Cormier, Laurent; Le Coq, David; Du, Jincheng

    2018-05-01

    The short and medium range structures of 80GeSe2–20Ga2Se3 (or Ge23.5Ga11.8Se64.7) chalcogenide glasses have been studied by combining ab initio molecular dynamics (AIMD) simulations and experimental neutron diffraction studies. The structure factor and total correlation function were calculated from glass structures generated from AIMD simulations and compared with neutron diffraction experiments showing reasonable agreement. The atomic structures of ternary chalcogenide glasses were analyzed in detail, and it was found that gallium atoms are four-fold coordinated by selenium (Se) and form [GaSe4] tetrahedra. Germanium atoms on average also have four-fold coordination, among which Se is 3.5 with the remaining being Ge–Ge homo-nuclear bonds. Ga and Ge tetrahedra link together mainly through corner-sharing and some edge-sharing of Se. No homo-nuclear bonds were observed among Ga atoms or between Ge and Ga. In addition, Se–Se homo-nuclear bonds and Se chains with various lengths were observed. A small fraction of Se atom triclusters that bond to three cations of Ge and Ga were also observed, confirming earlier proposals from 77Se solid state nuclear magnetic resonance studies. Furthermore, the electronic structures of ternary chalcogenide glasses were studied in terms of atomic charge and electronic density of states in order to gain insights into the chemical bonding and electronic properties, as well as to provide an explanation of the observed atomic structures in these ternary chalcogenide glasses.

  2. Flexible one-dimensional carbon-selenium composite nanofibers with superior electrochemical performance for Li-Se/Na-Se batteries

    Science.gov (United States)

    Zeng, Linchao; Wei, Xiang; Wang, Jiaqing; Jiang, Yu; Li, Weihan; Yu, Yan

    2015-05-01

    A facile strategy is developed to synthesis selenium/carbon composites (Se@CNFs-CNT) by co-heating Se powder and electrospun Polyacrylonitrile (PAN)-CNT nanofibers at 600°Cin a sealed vessel. The Se molecules are chemically bonded and physical encapsulated by carbonized PAN-CNT composite (CNFs-CNT), which leads to prevent the dissolution of polyselenide intermediates in carbonate based electrolyte. When directly used as flexible free-standing cathode material for Li-Se batteries in low cost carbonate-based electrolyte, the Se@CNFs-CNT electrode exhibits improved cyclability (517 mAh g-1 after 500 cycles at 0.5 A g-1) and rate capability (485 mAh g-1 at 1 A g-1). Moreover, when tested as sodium batteries, it maintains a reversible capacity of 410 mAh g-1 after 240 cycles at 0.5 A g-1. The superior electrochemical performance (especially at high rates) of Se@CNFs-CNT is attributed to synergistic effect of the additive of CNT, the well confine of Se in the CNFs-CNT matrix through chemical bonding and the 3D interconnected carbon nanofibers (CNFs). This simple yet efficient process thus provides a promising route towards fabrication of a variety of high performance flexible Li-Se and Na-Se batteries.

  3. Interaction of Se and GaSe with Si(111)

    International Nuclear Information System (INIS)

    Meng, Shuang; Schroeder, B. R.; Olmstead, Marjorie A.

    2000-01-01

    Deposition of Se and GaSe on Si(111)7x7 surfaces was studied with low-energy electron diffraction, x-ray photoelectron spectroscopy, and x-ray photoelectron diffraction to probe initial nucleation and interface structure for GaSe/Si(111) heteroepitaxy. Room-temperature deposition of Se on Si(111)7x7 results in an amorphous film. Subsequent annealing leads to Se evaporation without ordering or interdiffusion. Se deposition at 450 degree sign C saturates at submonolayer coverage with no diffusion of Se into the substrate. There is no clear evidence of ordered sites for the Se. Growth of GaSe on Si(111)7x7 above 500 degree sign C results in a pseudomorphic bilayer, with Si-Ga-Se bonding. Additional GaSe does not stick to the bilayer above 525 degree sign C. The resulting Se lone pair at the surface leads to an ideally passivated surface similar to As/Si(111). This stable surface is similar to the layer termination in bulk GaSe. The single domain bilayer is oriented with the Ga-Se bond parallel to the substrate Si-Si bond. (c) 2000 The American Physical Society

  4. SE and ENEL - One Year Together One Year after Privatization

    International Nuclear Information System (INIS)

    Anon

    2007-01-01

    In Bratislava, one year ago, exactly in April 28, the privatization deal of a 66% stake in Slovenske elektrarne (SE) was finally closed. The Slovak government and the Italian company ENEL signed final documents and ENEL thus definitely entered into SE. In May 2006, Miroslav Pikus, a former CEO, was replaced by Marco Arcelli, who, as a regional manager for Slovakia, had been preparing the entry of ENEL into SE since March 2005. Not only did he sometimes cook for us, in his 'kitchen' but also there were prepared 160 investment projects, e.g the improvement of nuclear safety and resistance of the Bohunice power plant, electricity sale through the so-called 'virtual power plant', ensuring a non-attended operation in hydro power plants, reconstruction and modernization of the Orava and Dobsina hydro power plants. (author)

  5. Characteristics of chemical bond and vacancy formation in chalcopyrite-type CuInSe2 and related compounds

    International Nuclear Information System (INIS)

    Maeda, Tsuyoshi; Wada, Takahiro

    2009-01-01

    We studied characteristics of chemical bond and vacancy formation in chalcopyrite-type CuInSe 2 (CIS) by first principles calculations. The chalcopyrite-type CIS has two kinds of chemical bonds, Cu-Se and In-Se. The Cu-Se bond is a weak covalent bonding because electrons occupy both bonding and antibonding orbitals of Cu 3d and Se 4p and occupy only the bonding orbital (a 1 ) of Cu 4s and Se 4p and do not occupy the antibonding orbital (a 1 * ) of Cu 4s and Se 4p. On the other hand, the In-Se bond has a partially covalent and partially ionic character because the In 5s orbital covalently interacts with Se 4p; the In 5p orbital is higher than Se 4p and so the electron in the In 5p orbital moves to the Se 4p orbital. The average bond order of the Cu-Se and In-Se bonds can be calculated to be 1/4 and 1, respectively. The bond order of Cu-Se is smaller than that of In-Se. The characteristics of these two chemical bonds are related to the formation of Cu and In vacancies in CIS. The formation energy of the Cu vacancy is smaller than that of the In vacancy under both Cu-poor and In-poor conditions. The displacement (Δl) of the surrounding Se atoms after the formation of the Cu vacancy is smaller than the Δl after the formation of the In vacancy. The interesting and unique characteristics of CIS are discussed on the basis of the characteristics of the chemical bond. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.

    Science.gov (United States)

    Wang, Hui; Liu, Ju; Wang, Weizhou

    2018-02-14

    Single-crystal X-ray diffraction reveals that polymorphic ortho-nitrophenyl selenocyanate (o-NSC, crystals 1a and 1b) and monomorphic para-nitrophenyl selenocyanate (p-NSC, crystal 2) crystals are all stabilized mainly by intermolecular and very strong intramolecular C-SeO/N chalcogen bonds, as well as by other different interactions. Thermogravimetric (TG) and differential scanning calorimetry thermogram (DSC) analyses show that the starting decomposition temperatures and melting points of the three crystals are different, following the order 1b > 1a > 2, which is consistent with the structural characteristics of the crystals. In addition, atoms in molecules (AIM) and natural bond orbital (NBO) analyses indicate that the total strengths of the C-SeO and C-SeN chalcogen bonds decrease in the order 1b > 1a > 2. This study could be significant for engineering functional crystals based on robust C-SeO and C-SeN chalcogen bonds, and for designing drugs containing selenium as well as understanding their interaction in biosystems.

  7. Effect of adding Te to layered GaSe crystals to increase the van der Waals bonding force

    Science.gov (United States)

    Tanabe, Tadao; Zhao, Shu; Sato, Yohei; Oyama, Yutaka

    2017-10-01

    The interplanar binding strength of layered GaSe1-xTex crystals was directly measured using a tensile testing machine. The GaSe1-xTex crystals were grown by a low temperature liquid phase solution method under a controlled Se vapor pressure. The stoichiometry-controlled GaSe1-xTex crystal has the ɛ-polytype structure of GaSe, where the Te atoms are substituted for some of the Se atoms in the GaSe crystal. The effect of adding Te on the bonding strength between the GaSe layers was determined from direct measurements of the van der Waals bonding energy. The bonding energy was increased from 0.023 × 106 N/m2 for GaSe to 0.16 × 106 N/m2 for GaSe1-xTex (x = 0.106).

  8. One-step synthesis of PbSe-ZnSe composite thin film

    Directory of Open Access Journals (Sweden)

    Abe Seishi

    2011-01-01

    Full Text Available Abstract This study investigates the preparation of PbSe-ZnSe composite thin films by simultaneous hot-wall deposition (HWD from multiple resources. The XRD result reveals that the solubility limit of Pb in ZnSe is quite narrow, less than 1 mol%, with obvious phase-separation in the composite thin films. A nanoscale elemental mapping of the film containing 5 mol% PbSe indicates that isolated PbSe nanocrystals are dispersed in the ZnSe matrix. The optical absorption edge of the composite thin films shifts toward the low-photon-energy region as the PbSe content increases. The use of a phase-separating PbSe-ZnSe system and HWD techniques enables simple production of the composite package.

  9. Highly luminescent CdSe/ZnSe core-shell quantum dots of one-pot preparation in octadecene

    NARCIS (Netherlands)

    Zeng, Q.; Kong, X.; Zhang, Y.; Zhang, H.

    2008-01-01

    CdSe/ZnSe core-shell quantum dots were synthesized using a new one-pot procedure where the core was prepared in octadecene. A ZnSe shell around a CdSe nanoparticle was formed by the reaction of selenium-richness on the surfaces of CdSe nanoparticles with Zn2+ from the injected zinc stearate

  10. One-pot synthesis of hollow NiSe-CoSe nanoparticles with improved performance for hybrid supercapacitors

    Science.gov (United States)

    Chen, Haichao; Fan, Meiqiang; Li, Chao; Tian, Guanglei; Lv, Chunju; Chen, Da; Shu, Kangying; Jiang, Jianjun

    2016-10-01

    Hollow NiSe-CoSe samples have been synthesized for the first time via a one-pot solvothermal approach. The strategy is robust enough to synthesize NiSe-CoSe nanoparticles with different NiSe to CoSe ratios but with a similar hollow structure. Co ions in the NiSe-CoSe nanoparticles play decisive role for formation of the hollow structure; otherwise, the nanoparticles become solid for the NiSe sample. When used as the positive electroactive materials for energy storage, the NiSe-CoSe samples show excellent electrochemical activity in alkaline electrolyte. Using the synergistic effect between NiSe and CoSe, the electrochemical performance of NiSe-CoSe can be tuned by varying the NiSe to CoSe ratios. The NiSe-CoSe sample with a NiSe to CoSe ratio of 4:2 shows the best electrochemical performance in terms of superior specific capacity, improved rate capability and excellent cycling stability. In addition, the electrochemical performance of NiSe-CoSe sample with a NiSe to CoSe ratio of 4:2 is also evaluated via assembling hybrid supercapacitors with RGO, and the hybrid supercapacitor delivers both high power and energy densities (41.8 Wh kg-1 at 750 W kg-1 and 20.3 Wh kg-1 at 30 kW kg-1).

  11. Ionothermal Synthesis, Structure, and Bonding of the Catena -Heteropolycation 1 ∞ [Sb 2 Se 2 ] +

    KAUST Repository

    Groh, Matthias F.

    2015-01-26

    The reaction of antimony and selenium in the Lewis-acidic ionic liquid 1-butyl-3-methyl-imidazolium tetrachloridoaluminate, [BMIm]Cl•4.7AlCl3, yielded dark-red crystals of [Sb2Se2]AlCl4. The formation starts above 160 ° C; at about 190 ° C, irreversible decomposition takes place. The compound crystallizes in the triclinic space group P 1¯ with a = 919.39(2) pm, b = 1137.92(3) pm, c = 1152.30(3) pm, α = 68.047(1)° , β = 78.115(1)° , γ = 72.530(1)° , and Z = 4. The structure is similar to that of [Sb2Te2]AlCl4 but has only half the number of crystallographically independent atoms. Polycationic chains 1∞ [Sb2Se2]+ form a pseudo-hexagonal arrangement along [011¯] ], which is interlaced by tetrahedral AlCl4 - groups. The catena-heteropolycation 1∞ [Sb2Se2]+ is a sequence of three different four-membered [Sb2Se2 ] rings. The chemical bonding scheme, established from the topological analysis of the real-space bonding indicator ELI-D, includes significantly polar covalent bonding in four-member rings withinthepolycation.Theringsareconnectedintoaninfinitechainbyhomonuclear non-polar Sb-Sb bonds and highly polar Sb-Se bonds. Half of the selenium atoms are three-bonded.

  12. 75Se-labelled cortisol in analysis by competition

    International Nuclear Information System (INIS)

    Glover, J.S.; Chambers, V.E.M.

    1975-01-01

    Selenium 75 has nuclear properties very suitable for the labelling of steroids used as tracers in competition analysis. A method of preparing a selenium-labelled cortisol derivative, 75 Se methylselenoprednisolone, is described. A system based on bonding competition between plasma cortisol and 75 Se methylselenoprednisolone on transcortine was studied, the separation taking place on a Sephadex adsorbant. An early analysis with highly stable reagents was achieved [fr

  13. Laser properties of Fe2+:ZnSe fabricated by solid-state diffusion bonding

    Science.gov (United States)

    Balabanov, S. S.; Firsov, K. N.; Gavrishchuk, E. M.; Ikonnikov, V. B.; Kazantsev, S. Yu; Kononov, I. G.; Kotereva, T. V.; Savin, D. V.; Timofeeva, N. A.

    2018-04-01

    The characteristics of an Fe2+:ZnSe laser at room temperature and its active elements with undoped faces were studied. Polycrystalline elements with one or two diffusion-doped internal layers were obtained by the solid-state diffusion bonding technique applied to chemical vapor deposition grown ZnSe plates preliminary doped with Fe2+ ions in the process of hot isostatic pressing. A non-chain electric-discharge HF laser was used to pump the crystals. It was demonstrated that increasing the number of doped layers allows increasing the maximum diameter of the pump radiation spot and the pump energy without the appearance of transversal parasitic oscillation. For the two-layer-doped active element with a diameter of 20 mm an output energy of 480 mJ was achieved with 37% total efficiency with respect to the absorbed energy. The obtained results demonstrate the potential of the developed technology for fabrication of active elements by the solid-state diffusion bonding technique combined with the hot isostatic pressing treatment for efficient IR lasers based on chalcogenides doped with transition metal ions.

  14. Copper Selenidophosphates Cu4P2Se6, Cu4P3Se4, Cu4P4Se3, and CuP2Se, Featuring Zero-, One-, and Two-Dimensional Anions.

    Science.gov (United States)

    Kuhn, Alexander; Schoop, Leslie M; Eger, Roland; Moudrakovski, Igor; Schwarzmüller, Stefan; Duppel, Viola; Kremer, Reinhard K; Oeckler, Oliver; Lotsch, Bettina V

    2016-08-15

    Five new compounds in the Cu/P/Se phase diagram have been synthesized, and their crystal structures have been determined. The crystal structures of these compounds comprise four previously unreported zero-, one-, and two-dimensional selenidophosphate anions containing low-valent phosphorus. In addition to two new modifications of Cu4P2Se6 featuring the well-known hexaselenidohypodiphosphate(IV) ion, there are three copper selenidophosphates with low-valent P: Cu4P3Se4 contains two different new anions, (i) a monomeric (zero-dimensional) selenidophosphate anion [P2Se4](4-) and (ii) a one-dimensional selenidophosphate anion [Formula: see text], which is related to the well-known gray-Se-like [Formula: see text] Zintl anion. Cu4P4Se3 contains one-dimensional [Formula: see text] polyanions, whereas CuP2Se contains the 2D selenidophosphate [Formula: see text] polyanion. It consists of charge-neutral CuP2Se layers separated by a van der Waals gap which is very rare for a Zintl-type phase. Hence, besides black P, CuP2Se constitutes a new possible source of 2D oxidized phosphorus containing layers for intercalation or exfoliation experiments. Additionally, the electronic structures and some fundamental physical properties of the new compounds are reported. All compounds are semiconducting with indirect band gaps of the orders of around 1 eV. The phases reported here add to the structural diversity of chalcogenido phosphates. The structural variety of this family of compounds may translate into a variety of tunable physical properties.

  15. The role of a chemical bond in thermal expansion of TlIn1-xYbxSe2 solid solutions

    International Nuclear Information System (INIS)

    Zarbaliev, M.M.; Sardarova, N.S.; Mamedov, E.G.; Nagiyev, A.B.

    2008-01-01

    Report focuses on the study of the role of the chemical bond in the thermal expansion of solid solutions TLIn 1 -x Yb x Se 2 (0Se 2 - TLYbSe 2 system. Coefficient of linear thermal expansion (CTE) has been measured in the temperature range 80-350 K with help of dilatometer with induction registration. It is clear from the temperature dependence that, α(T) for all phases of studies is identical. This behavior α (T) is explained that, all investigated phases are crystallized, as parent compound TLInSe 2 , in the tetragonal system and type of chemical bonds between atoms in a crystal lattice one and the same. It leads to the same temperature changes of enharmonic part of the thermal variations of atoms in the crystal lattice. But the level of anharmonism depends on the character interatomic interaction and temperature, which defined the value of α

  16. Synthesis, characterization, and anomalous dielectric and conductivity performance of one-dimensional (bdaH)InSe2 (bda = 1,4-butanediamine)

    International Nuclear Information System (INIS)

    Du, Ke-Zhao; Hu, Wan-Biao; Hu, Bing; Guan, Xiang-Feng; Huang, Xiao-Ying

    2011-01-01

    Graphical abstract: Anomalous dielectric and conductivity performance have been observed in the organic-containing indium selenide (bdaH)InSe 2 , which are attributed to the water molecules existing in the crystal boundary rather than phase transition. Highlights: → The title compound is the first example of organic-containing one-dimensional indium selenide. → The anomalous dielectric peak is attributed to water molecules in crystal boundary. → The inorganic and organic components of the title compound are connected via hydrogen bonding to form a supramolecular three-dimensional network. -- Abstract: A new indium selenide, namely (bdaH)InSe 2 (1) (bda = 1,4-butanediamine) has been solvothermally synthesized and structurally characterized. It belongs to the non-centrosymmetric space group Fdd2. Its structure features an infinite one-dimensional anionic chain of [InSe 2 ] n n- with monoprotonated [bdaH] + as charge compensating cation. The organic [bdaH] + cations are joined into a supramolecular one-dimensional chain via N-H...N hydrogen bonding, which further interacts with the inorganic chain via N-H...Se and C-H...Se hydrogen bonding, forming a supramolecular three-dimensional network. Based on such a well-defined structure, the thermal stability, optical, conductivity, and dielectric properties were systematically investigated, showing that dielectric constant, as well as conductivity, had a hump at about 95 o C, which could be attributed to water molecules in the crystal boundary.

  17. Benefits of oxygen in CuInSe{sub 2} and CuGaSe{sub 2} containing Se-rich grain boundaries

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Chunbao, E-mail: chunbaofeng@126.com [Department of Mathematics and Physics, Chongqing University of Posts and Telecommunications, Chongqing, 400065 (China); Luo, Min; Li, Bolin; Li, Dengfeng [Department of Mathematics and Physics, Chongqing University of Posts and Telecommunications, Chongqing, 400065 (China); Nie, Jinlan [Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, 610054 (China); Dong, Huining [Department of Mathematics and Physics, Chongqing University of Posts and Telecommunications, Chongqing, 400065 (China)

    2014-05-01

    Using density functional theory calculation, we show that oxygen (O) exhibits an interesting effect in CuInSe{sub 2} and CuGaSe{sub 2}. The Se atoms with dangling bonds in a Se-rich Σ3 (114) grain boundary (GB) create deep gap states due to strong interaction between Se atoms. However, when such a Se atom is substituted by an O atom, the deep gap states can be shifted into valence band, making the site no longer a harmful non-radiative recombination center. We find that O atoms prefer energetically to substitute these Se atoms and induce significant lattice relaxation due to their smaller atomic size and stronger electronegativity, which effectively reduces the anion–anion interaction. Consequently, the deep gap states are shifted to lower energy regions close or even below the top of the valence band.

  18. 71Ga-77Se connectivities and proximities in gallium selenide crystal and glass probed by solid-state NMR

    Science.gov (United States)

    Nagashima, Hiroki; Trébosc, Julien; Calvez, Laurent; Pourpoint, Frédérique; Mear, François; Lafon, Olivier; Amoureux, Jean-Paul

    2017-09-01

    We introduce two-dimensional (2D) 71Ga-77Se through-bond and through-space correlation experiments. Such correlations are achieved using (i) the J-mediated Refocused Insensitive Nuclei Enhanced by Polarization Transfer (J-RINEPT) method with 71Ga excitation and 77Se Carr-Purcell-Meiboon-Gill (CPMG) detection, as well as (ii) the J- or dipolar-mediated Hetero-nuclear Multiple-Quantum Correlation (J- or D-HMQC) schemes with 71Ga excitation and quadrupolar CPMG (QCPMG) detection. These methods are applied to the crystalline β-Ga2Se3 and the 0.2Ga2Se3-0.8GeSe2 glass. Such glass leads to a homogeneous and reproducible glass-ceramic, which is a good alternative to single-crystalline Ge and polycrystalline ZnSe materials for making lenses transparent in the IR range for thermal imaging applications. We show that 2D 71Ga-77Se correlation experiments allow resolving the 77Se signals of molecular units, which are not resolved in the 1D 77Se CPMG spectrum. Additionally, the build-up curves of the J-RINEPT and the J-HMQC experiments allow the estimate of the 71Ga-77Se J-couplings via one and three-bonds in the three-dimensional network of β-Ga2Se3. Furthermore, these build-up curves show that the one-bond 1J71Ga-77Se couplings in the 0.2Ga2Se3-0.8GeSe2 glass are similar to those measured for β-Ga2Se3. We also report 2D 71Ga Satellite Transition Magic-Angle Spinning (STMAS) spectrum of β-Ga2Se3 using QCPMG detection at high magnetic field and high Magic-Angle Spinning frequency using large radio frequency field. Such spectrum allows separating the signal of β-Ga2Se3 and that of an impurity.

  19. Structure of Se-rich As-Se glasses by high-resolution x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Golovchak, R.; Kovalskiy, A.; Miller, A. C.; Jain, H.; Shpotyuk, O.

    2007-01-01

    To establish the validity of various proposed structural models, we have investigated the structure of the binary As x Se 100-x chalcogenide glass family (x≤40) by high-resolution x-ray photoelectron spectroscopy. From the composition dependence of the valence band, the contributions to the density of states from the 4p lone pair electrons of Se and the 4p bonding states and 4s electrons of Se and As are identified in the top part of the band. The analysis of Se 3d and As 3d core-level spectra supports the so-called chain crossing model for the atomic structure of Se-rich As x Se 100-x bulk glasses. The results also indicate small deviations (∼3-8%) from this model, especially for glass compositions with short Se chains (25 40 Se 60 and of Se-Se-Se fragments in a glass with composition x=30 is established

  20. Long-term physical ageing in As-Se glasses with short chalcogen chains

    International Nuclear Information System (INIS)

    Golovchak, R; Shpotyuk, O; Kozdras, A; Vlcek, M; Bureau, B; Kovalskiy, A; Jain, H

    2008-01-01

    Long-term physical ageing of chalcogenide glasses, which occurs over tens of years, is much less understood than the short-term ageing. With Se-rich underconstrained As 30 Se 70 glass as a model composition (consisting of Se n chains with n≤3 on average), a microscopic model is developed for this phenomenon by combining information from differential scanning calorimetry, extended x-ray absorption fine structure, Raman, and 77 Se solid state nuclear magnetic resonance spectroscopies. The accompanying changes in the electronic structure of these glasses are investigated by x-ray photoelectron spectroscopy. The data suggest ageing from cooperative relaxation, presumably involving bond switching or reconfiguration of As-Se-Se-As fragments

  1. Long-term physical ageing in As-Se glasses with short chalcogen chains

    Energy Technology Data Exchange (ETDEWEB)

    Golovchak, R; Shpotyuk, O [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska street, Lviv, UA-79031 (Ukraine); Kozdras, A [Faculty of Physics of Opole University of Technology, 75, Ozimska street, Opole, 45370 (Poland); Vlcek, M [Department of General and Inorganic Chemistry, Faculty of Chemistry, University of Pardubice, 532 10 Pardubice (Czech Republic); Bureau, B [Verres et Ceramiques, UMR CNRS 6226 Sciences Chimiques de Rennes, University of Rennes, 1, Campus de Beaulieu, Rennes, 35042 (France); Kovalskiy, A; Jain, H [Department of Materials Science and Engineering, Lehigh University, 5, East Packer Avenue, Bethlehem, PA 18015-3195 (United States)

    2008-06-18

    Long-term physical ageing of chalcogenide glasses, which occurs over tens of years, is much less understood than the short-term ageing. With Se-rich underconstrained As{sub 30}Se{sub 70} glass as a model composition (consisting of Se{sub n} chains with n{<=}3 on average), a microscopic model is developed for this phenomenon by combining information from differential scanning calorimetry, extended x-ray absorption fine structure, Raman, and {sup 77}Se solid state nuclear magnetic resonance spectroscopies. The accompanying changes in the electronic structure of these glasses are investigated by x-ray photoelectron spectroscopy. The data suggest ageing from cooperative relaxation, presumably involving bond switching or reconfiguration of As-Se-Se-As fragments.

  2. Synthesis, characterization, and anomalous dielectric and conductivity performance of one-dimensional (bdaH)InSe{sub 2} (bda = 1,4-butanediamine)

    Energy Technology Data Exchange (ETDEWEB)

    Du, Ke-Zhao; Hu, Wan-Biao [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Hu, Bing; Guan, Xiang-Feng [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Huang, Xiao-Ying, E-mail: xyhuang@fjirsm.ac.cn [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2011-11-15

    Graphical abstract: Anomalous dielectric and conductivity performance have been observed in the organic-containing indium selenide (bdaH)InSe{sub 2}, which are attributed to the water molecules existing in the crystal boundary rather than phase transition. Highlights: {yields} The title compound is the first example of organic-containing one-dimensional indium selenide. {yields} The anomalous dielectric peak is attributed to water molecules in crystal boundary. {yields} The inorganic and organic components of the title compound are connected via hydrogen bonding to form a supramolecular three-dimensional network. -- Abstract: A new indium selenide, namely (bdaH)InSe{sub 2} (1) (bda = 1,4-butanediamine) has been solvothermally synthesized and structurally characterized. It belongs to the non-centrosymmetric space group Fdd2. Its structure features an infinite one-dimensional anionic chain of [InSe{sub 2}]{sub n}{sup n-} with monoprotonated [bdaH]{sup +} as charge compensating cation. The organic [bdaH]{sup +} cations are joined into a supramolecular one-dimensional chain via N-H...N hydrogen bonding, which further interacts with the inorganic chain via N-H...Se and C-H...Se hydrogen bonding, forming a supramolecular three-dimensional network. Based on such a well-defined structure, the thermal stability, optical, conductivity, and dielectric properties were systematically investigated, showing that dielectric constant, as well as conductivity, had a hump at about 95 {sup o}C, which could be attributed to water molecules in the crystal boundary.

  3. Hopping conduction in gamma-irradiated InSe and InSe:Sn single crystals

    International Nuclear Information System (INIS)

    MUSTAFAEVA, S.N.; ISMAILOV, A.A.; ASADOV, M.M.

    2010-01-01

    Full text : The semiconductive InSe layer compound is characterized by a strong covalent bond inside the layers and a weak Van der Waals bonding between them. It was shown that across the layers of InSe single crystals at low temperatures (T ≤ 200 K) at direct current (dc) hopping conduction through localized states near the Fermi level takes place. The results of dc-conductivity of gamma-irradiated p-InSe and n-InSe : Sn layer single crystals have been presented in this work. ρ-InSe single crystal specimens grown by the Bridgman method were used in the experiments. Plates of the crystals under study were obtained by cleaving along the layers of single crystal ingots. The single-crystal InSe samples for electric measurements had the form of planar capacitors normal to the C axis of the crystals, with silver-paste electrodes. The thickness of the InSe samples was 300 mkm. Co 60 serves as the source of irradiation with energy of gamma-quantum equal to 1.3 MeV. The electric properties of non-irradiated and gamma-irradiated InSe crystals were measured under the same conditions. It is revealed that InSe and InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals exhibit a variable range hopping conduction along a normal to their natural layers at temperatures T≤200 K in a dc electric field. From experimental data the parameters of localized states of p-InSe and n-InSe : Sn were calculated before and after gamma-irradiation. It is revealed that gamma-irradiation of p-InSe and n-InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals leads to significant change of localized states parameters. After gamma-irradiation the density of states near the Fermi level increased, but their energy spread and the average jump distance decreased. The concentrations of radiated defects were estimated in p-InSe (5.18*10 1 7 sm - 3) and n-InSe : Sn (2.5*10 1 7 - 2.7*10 1 8 sm - 3) single crystals. The present results demonstrate that gamma-irradiation offers the possibility of tuning

  4. Relations between anisotropic defects, structural evolution, and van der Waals bonding in 2H-NbSe2

    International Nuclear Information System (INIS)

    Gavarri, J.R.; Mokrani, R.; Boulesteix, C.; Vacquier, G.

    1988-01-01

    Correlations between anisotropic defects and van der Waals interactions have been established for the layer compound 2H-NbSe 2 which is investigated by low temperature X-ray diffraction techniques. Thermal expansion coefficients and anisotropic Debye temperatures are determined. A diffraction profile analysis reveals the existence of lattice distortions independent of the temperature. They are due to layer defects. To interpret the structural evolution data, the thermal expansion functions, α a (T) and α c (T) are simulated in the low temperature range which yield the elastic constants and the Grueneisen parameters. Using bond energy models, the Van der Waals nature of interlayer Se-Se interactions is confirmed by a model of thermal expansion of bonds and connected with the C 13 component of the elastic tensor. Such interactions can explain the presence of some layer defects that can be 4H-NbSe 2 nuclei in the 2H host lattice. In addition, no strong change in the Grueneisen parameters is clearly shown to occur at the 35 K transition of 2H-NbSe 2 . (author)

  5. The determination of Se content in Se egg by NAA in MNSR

    International Nuclear Information System (INIS)

    Wang Ke; Hou Xiaolin

    1994-01-01

    The selenium contents in the yolk, albumin and shell of the egg which was laid by layer hen fed with various Se concentrations are determined by thermal neutron activation analysis with a nuclear reaction 78 Se(n, γ) 77 Se m on the miniature neutron source reactor (MNSR). The results show that the more the selenium added to the feed, the higher the Se content in the egg and that in the egg constituents, the highest Se content is in the egg yolk and the lowest in the egg albumin

  6. Dipole strength in 80Se below the neutron-separation energy for the nuclear transmutation of 79Se

    Directory of Open Access Journals (Sweden)

    Makinaga Ayano

    2017-01-01

    Full Text Available The γ-ray strength function (γSF in 80Se is an important parameter to estimate the neutron-capture cross section of 79Se which is one of the long-lived fission products (LLFPs. Until now, the γSF method was applied for 80Se only above the neutron-separation energy (Sn and the evaluated 79Se(n,γ cross section has an instability caused by the GSF below Sn. We studied the dipole-strength distribution of 80Se in a photon-scattering experiment using bremsstrahlung produced by an electron beam of an energy of 11.5 MeV at the linear accelerator ELBE at HZDR. The present photoabsorption cross section of 80Se was combined with results of (γ,n experiments and are compared with predictions usinmg the TALYS code. We also estimated the 79Se(n,γ cross sections and compare them with TALYS predictionms and earlier work by other groups.

  7. Dipole strength in 80Se below the neutron-separation energy for the nuclear transmutation of 79Se

    Science.gov (United States)

    Makinaga, Ayano; Massarczyk, Ralph; Beard, Mary; Schwengner, Ronald; Otsu, Hideaki; Müller, Stefan; Röder, Marko; Schmidt, Konrad; Wagner, Andreas

    2017-09-01

    The γ-ray strength function (γSF) in 80Se is an important parameter to estimate the neutron-capture cross section of 79Se which is one of the long-lived fission products (LLFPs). Until now, the γSF method was applied for 80Se only above the neutron-separation energy (Sn) and the evaluated 79Se(n,γ) cross section has an instability caused by the GSF below Sn. We studied the dipole-strength distribution of 80Se in a photon-scattering experiment using bremsstrahlung produced by an electron beam of an energy of 11.5 MeV at the linear accelerator ELBE at HZDR. The present photoabsorption cross section of 80Se was combined with results of (γ,n) experiments and are compared with predictions usinmg the TALYS code. We also estimated the 79Se(n,γ) cross sections and compare them with TALYS predictionms and earlier work by other groups.

  8. Effects of mechanical and thermal load cycling on micro tensile bond strength of clearfil SE bond to superficial dentin

    Directory of Open Access Journals (Sweden)

    Ali Reza Daneshkazemi

    2013-01-01

    Full Text Available Background: Certain studies have been conducted on the effects of mechanical and thermal load cycling on the microtensile bond strength (microTBS of composites to dentin, but the results were different. The authors therefore decided to evaluate these effects on the bonding of Clearfil SE bond to superficial dentin. Materials and Methods: Flat dentinal surface of 42 molar teeth were bonded to Filtek-Z250 resin composite by Clearfil SE bond. The teeth were randomly divided into 7 groups and exposed to different mechanical and thermal load cycling. Thermocycling was at 5-55°C and mechanical load cycling was created with a force of 125 N and 0.5 Hz. Then, the teeth were sectioned and shaped to hour glass form and subjected to microTBS testing at a speed of 0.5 mm/min. The results were statistically analyzed by computer with three-way analysis of variance and T-test at P < 0.05 significant. To evaluate the location and mode of failure, the specimens were observed under the stereomicroscope. Then, one of the specimens in each group was evaluated under Scanning Electron Microscopy (SEM for mode of failure. Results: All of the study groups had a significantly lower microTBS as compared to the control group ( P < 0.001. There was no statistically significant difference between mechanical cycling with 50K (kilo = 1000 cycles, and 50K mechanical cycles plus 1K thermal cycles. Most of the fractures in the control group were of adhesive type and this type of fracture increased after exposure to mechanical and thermal load cycling. Conclusion: Thermal and mechanical load cycling had significant negative effects on microTBS and the significant effects of mechanical load cycling started to be significant at 100K cycles.

  9. Origin of low thermal conductivity in SnSe

    Science.gov (United States)

    Xiao, Yu; Chang, Cheng; Pei, Yanling; Wu, Di; Peng, Kunling; Zhou, Xiaoyuan; Gong, Shengkai; He, Jiaqing; Zhang, Yongsheng; Zeng, Zhi; Zhao, Li-Dong

    2016-09-01

    We provide direct evidence to understand the origin of low thermal conductivity of SnSe using elastic measurements. Compared to state-of-the-art lead chalcogenides Pb Q (Q =Te , Se, S), SnSe exhibits low values of sound velocity (˜1420 m /s ) , Young's modulus (E ˜27.7 GPa ) , and shear modulus (G ˜9.6 GPa ) , which are ascribed to the extremely weak Sn-Se atomic interactions (or bonds between layers); meanwhile, the deduced average Grüneisen parameter γ of SnSe is as large as ˜3.13, originating from the strong anharmonicity of the bonding arrangement. The calculated phonon mean free path (l ˜ 0.84 nm) at 300 K is comparable to the lattice parameters of SnSe, indicating little room is left for further reduction of the thermal conductivity through introducing nanoscale microstructures and microscale grain boundaries. The low elastic properties indicate that the weak chemical bonding stiffness of SnSe generally causes phonon modes softening which eventually slows down phonon propagation. This work provides insightful data to understand the low lattice thermal conductivity of SnSe.

  10. K2 ZnSn3 Se8 : A Non-Centrosymmetric Zinc Selenidostannate(IV) Featuring Interesting Covalently Bonded [ZnSn3 Se8 ]2- Layer and Exhibiting Intriguing Second Harmonic Generation Activity.

    Science.gov (United States)

    Zhou, Molin; Jiang, Xingxing; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, JJiyong; Wu, Yicheng

    2017-06-19

    Non-centrosymmetric zinc selenidostannate(IV) K 2 ZnSn 3 Se 8 was synthesized. It features interesting covalently bonded [ZnSn 3 Se 8 ] 2- layers with K + cations filling in the interlayer voids. The phonon spectrum was calculated to clarify its structural stability. Based on the X-ray diffraction data along with the Raman spectrum, the major bonding features of the title compound were identified. According to the UV/vis-NIR spectroscopy, K 2 ZnSn 3 Se 8 possesses a typical direct band gap of 2.10 eV, which is in good agreement with the band structure calculations. Moreover, our experimental measurements and detailed theoretical calculations reveal that K 2 ZnSn 3 Se 8 is a new phase-matchable nonlinear optical material with a powder second harmonic generation (SHG) signal about 0.6 times of that of AgGaS 2 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Unusually short chalcogen bonds involving organoselenium: insights into the Se-N bond cleavage mechanism of the antioxidant ebselen and analogues.

    Science.gov (United States)

    Thomas, Sajesh P; Satheeshkumar, K; Mugesh, Govindasamy; Guru Row, T N

    2015-04-27

    Structural studies on the polymorphs of the organoselenium antioxidant ebselen and its derivative show the potential of organic selenium to form unusually short Se⋅⋅⋅O chalcogen bonds that lead to conserved supramolecular recognition units. Se⋅⋅⋅O interactions observed in these polymorphs are the shortest such chalcogen bonds known for organoselenium compounds. The FTIR spectral evolution characteristics of this interaction from solution state to solid crystalline state further validates the robustness of this class of supramolecular recognition units. The strength and electronic nature of the Se⋅⋅⋅O chalcogen bonds were explored using high-resolution X-ray charge density analysis and atons-in-molecules (AIM) theoretical analysis. A charge density study unravels the strong electrostatic nature of Se⋅⋅⋅O chalcogen bonding and soft-metal-like behavior of organoselenium. An analysis of the charge density around Se-N and Se-C covalent bonds in conjunction with the Se⋅⋅⋅O chalcogen bonding modes in ebselen and its analogues provides insights into the mechanism of drug action in this class of organoselenium antioxidants. The potential role of the intermolecular Se⋅⋅⋅O chalcogen bonding in forming the intermediate supramolecular assembly that leads to the bond cleavage mechanism has been proposed in terms of electron density topological parameters in a series of molecular complexes of ebselen with reactive oxygen species (ROS). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. The Se–H bond of benzeneselenols (ArSe-H): Relationship between bond dissociation enthalpy and spin density of radicals

    International Nuclear Information System (INIS)

    Nam, Pham Cam; Nguyen, Minh Tho

    2013-01-01

    Highlights: ► BDE(Se–H)s of C 6 H 5 SeH and its para and meta-substituted derivatives are calculated. ► A relationship between the BDE(Se–H)s and Mulliken atomic spin densities of YC 6 H 4 Se radical is found. ► Good correlations are also observed between the BDE(Se–H)s and the Hammett’s parameters. ► The proton affinity of C 6 H 5 SeH is evaluated to be in the range of 814–818 kJ/mol. ► Ionization energies (IE) of the substituted benzeneselenols are also evaluated. - Abstract: Bond dissociation enthalpies (BDE) of benzeneselenol (ArSe-H) and its para and meta-substituted derivatives are calculated using the (RO)B3LYP/6-311++G(2df,2p)//(U)B3LYP/6-311G(d,p) procedure. The computed BDE(Se–H) = 308 ± 8 kJ/mol for the parent PhSe-H is significantly smaller than the experimental value of 326.4 ± 16.7 kJ/mol [Kenttamaa and coworkers, J. Phys. Chem. 100 (1996) 6608] but larger than a previous value of 280.3 kJ/mol [Newcomb et al., J. Am. Chem. Soc. 113 (1991) 949]. The substituent effects on BDE’s are analyzed in terms of a relationship between BDE(Se–H) and Mulliken atomic spin densities at the Se radical centers of ArSe (π radicals). Good correlations between Hammett’s substituent constants with BDE(Se–H) are established. Proton affinity and ionization energy amount to PA(C 6 H 5 SeH) = 814 ± 4 kJ/mol and IE(C 6 H 5 SeH) = 8.0 ± 0.1 eV. IEs of the substituted benzeneselenols are also determined. Calculated results thus suggest that 4-amino-benzeneselenol derivatives emerge as efficient antioxidants

  13. A study of Sn addition on bonding arrangement of Se-Te alloys using far infrared transmission spectroscopy

    International Nuclear Information System (INIS)

    Kumar, Rajneesh; Rangra, V. S.; Sharma, Parikshit; Katyal, S. C.; Sharma, Pankaj

    2011-01-01

    Far infrared transmission spectra of Se 92 Te 8-x Sn x (x = 0, 1, 2, 3, 4, 5) glassy alloys are obtained in the spectral range 50-600 cm -1 at room temperature. The results are interpreted in terms of the vibrations of the isolated molecular units in such a way so as to preserve fourfold and twofold coordination for Sn and chalcogen atoms (Se,Te), respectively. With the addition of Sn, Far-IR spectra shift toward high frequency side and some new bands start appearing. Sn atoms appear to substitute for the selenium atoms in the outrigger sites due to large bond formation probability. Theoretical calculations of bond energy, relative probability of bond formation, force constant, and wave number were also made to justify the result.

  14. Full four-component relativistic calculations of the one-bond 77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides.

    Science.gov (United States)

    Rusakov, Yury Yu; Rusakova, Irina L; Krivdin, Leonid B

    2014-05-01

    Four-component relativistic calculations of (77)Se-(13)C spin-spin coupling constants have been performed in the series of selenium heterocycles and their parent open-chain selenides. It has been found that relativistic effects play an essential role in the selenium-carbon coupling mechanism and could result in a contribution of as much as 15-25% of the total values of the one-bond selenium-carbon spin-spin coupling constants. In the overall contribution of the relativistic effects to the total values of (1)J(Se,C), the scalar relativistic corrections (negative in sign) by far dominate over the spin-orbit ones (positive in sign), the latter being of less than 5%, as compared to the former (ca 20%). A combination of nonrelativistic second-order polarization propagator approach (CC2) with the four-component relativistic density functional theory scheme is recommended as a versatile tool for the calculation of (1)J(Se,C). Solvent effects in the values of (1)J(Se,C) calculated within the polarizable continuum model for the solvents with different dielectric constants (ε 2.2-78.4) are next to negligible decreasing negative (1)J(Se,C) in absolute value by only about 1 Hz. The use of the locally dense basis set approach applied herewith for the calculation of (77)Se-(13)C spin-spin coupling constants is fully justified resulting in a dramatic decrease in computational cost with only 0.1-0.2-Hz loss of accuracy. Copyright © 2014 John Wiley & Sons, Ltd.

  15. Constraining the cross section of 82Se(n, γ)83Se to validate the β-Oslo method

    Science.gov (United States)

    Childers, K.; Liddick, S. N.; Crider, B. P.; Dombos, A. C.; Lewis, R.; Spyrou, A.; Couture, A.; Mosby, S.; Prokop, C. J.; Naqvi, F.; Larsen, A. C.; Guttormsen, M.; Campo, L. C.; Renstrom, T.; Siem, S.; Bleuel, D. L.; Perdikakis, G.; Quinn, S.

    2017-09-01

    Neutron capture cross sections of short-lived nuclei are important for a variety of basic and applied nuclear science problems. However, because of the short half-lives of the nuclei involved and the nonexistence of a neutron target, indirect measurement methods are required. One such method is the β-Oslo method. The nuclear level density and γ strength function of a nucleus are extracted after β-decay and used in a statistical reaction model to constrain the neutron capture cross section. This method has been used previously, but must be validated against a directly measured neutron capture cross section. The neutron capture cross section of 82Se has been measured previously, and 83Se can be accessed by the β-decay of 83As. The β-decay of 83As to 83Se was studied using the SuN detector at the NSCL and the β-Oslo method was utilized to constrain the neutron capture cross section of 82Se, which is compared to the directly measured value.

  16. IR and Raman spectra of LaH(SeO3)2 and FeH(SeO3)2

    International Nuclear Information System (INIS)

    Ratheesh, R.; Suresh, G.; Nayar, V.U.; Morris, R.E.

    1995-01-01

    The infrared and Raman spectra of LaH(SeO 3 ) 2 and FeH(SeO 3 ) 2 crystals are recorded and analysed. Bands confirm the coexistence of HSeO 3 - and SeO 3 2- ions in both LaH(SeO 3 ) 2 and FeH(SeO 3 ) 2 crystals. The Se-OH stretching vibrations are observed to be at lower wavenumbers in LaH(SeO 3 ) 2 than that in the iron compound in agreement with the short O-O distance in the former. Observed bands indicate that the SeO 3 2- ions are more angularly distorted in FeH(SeO 3 ) 2 crystal. ABC bands, characteristic of strong hydrogen bonded systems are observed in the infrared spectra of both the crystals. (author). 15 refs., 2 figs., 1 tab

  17. Structure of ferroelastic K3H(SeO4)2

    International Nuclear Information System (INIS)

    Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.

    1992-01-01

    Tripotassium hydrogenbis(selenate), K 3 H(SeO 4 ) 2 , M r = 404.2, monoclinic, A2/a, a = 10.1291 (8), b = 5.9038 (5), c = 14.961 (1) A, β = 103.640 (8) 0 , V = 869.5 (1) A 3 , Z = 4, D x = 3.086 Mg m -3 , λ(Mo Kα) = 0.71073 A, μ = 9.86 mm -1 , F(000) = 760, T = 299 K, R(F) = 0.0294 for 1670 unique reflections. K 3 H(SeO 4 ) 2 is isomorphous with most M 3 H(XO 4 ) 2 -type crystals (M=K,Rb and Cs; Cs; X = S and Se); two SeO 4 groups are connected by a crystallographically symmetric hydrogen bond into a dimer. The bond distances and angles in the SeO 4 group are similar to those in Rb 3 H(SeO 4 ) 2 and Rb 3 D(SeO 4 ) 2 . The hydrogen-bond length, 2.524 (5) A, is the shortest among the members of the M 3 H(SeO 4 ) 2 family exhibiting the low-temperature phase transition. (orig.)

  18. Structure, properties, and disorder in the new distorted-Hollandite PbIr{sub 4}Se{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Trump, Benjamin A., E-mail: btrump1@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218 (United States); Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218 (United States); McQueen, Tyrel M., E-mail: mcqueen@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218 (United States); Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218 (United States); Department of Material Science and Engineering, Johns Hopkins University, Baltimore, MD 21218 (United States)

    2016-10-15

    The synthesis and physical properties of the new distorted-Hollandite PbIr{sub 4}Se{sub 8} are reported. Powder X-ray diffraction and transmission electron microscopy show that the structure consists of edge- and corner-sharing IrSe{sub 6} octahedra, with one-dimensional channels occupied by Pb. The structure contains Se-Se anion-anion bonding, leading to an electron count of Pb{sup 2+}(Ir{sup 3+}){sub 4}(Se{sub 2}){sup 2-}(Se{sup 2−}){sub 6}, confirmed by bond-valence sums and diamagnetic behavior. Structural and heat capacity measurements demonstrate disorder on the Pb site, due to the combination of lone-pair effects and the large size of the one-dimensional channels. Comparisons are made to known Hollandite and pseudo-Hollandite structures, which demonstrates that the anion-anion bonding in PbIr{sub 4}Se{sub 8} distorts its structure, to accommodate the Ir{sup 3+} state. An electronic structure calculation indicates semiconductor character with a band gap of 0.76(11) eV.

  19. Glass forming tendencies of chalcogenides of the system (As2Se3)sub(1-x):(T12Se)sub(x)

    International Nuclear Information System (INIS)

    Majid, C.A.

    1982-07-01

    In this paper glass forming capabilities of chalcogenide glasses based on As 2 Se 3 with T1 2 Se concentrations are discussed. The studies were made using the differential thermal analysis (DTA) technique. These studies show that the glass forming tendency of As 2 Se 3 decreases as the concentrations of T1 2 Se molecules are increased. Also these studies show that with addition of T1 2 Se, the glass transition temperature Tsub(g) of As 2 Se 3 decreases, suggesting a tendency for weaker bonding and hence less stability of T1-rich compositions. (author)

  20. Syntheses, structures, and properties of Ag4(Mo2O5)(SeO4)2(SeO3) and Ag2(MoO3)3SeO3

    International Nuclear Information System (INIS)

    Ling Jie; Albrecht-Schmitt, Thomas E.

    2007-01-01

    Ag 4 (Mo 2 O 5 )(SeO 4 ) 2 (SeO 3 ) has been synthesized by reacting AgNO 3 , MoO 3 , and selenic acid under mild hydrothermal conditions. The structure of this compound consists of cis-MoO 2 2+ molybdenyl units that are bridged to neighboring molybdenyl moieties by selenate anions and by a bridging oxo anion. These dimeric units are joined by selenite anions to yield zigzag one-dimensional chains that extended down the c-axis. Individual chains are polar with the C 2 distortion of the Mo(VI) octahedra aligning on one side of each chain. However, the overall structure is centrosymmetric because neighboring chains have opposite alignment of the C 2 distortion. Upon heating Ag 4 (Mo 2 O 5 )(SeO 4 ) 2 (SeO 3 ) looses SeO 2 in two distinct steps to yield Ag 2 MoO 4 . Crystallographic data: (193 K; MoKα, λ=0.71073 A): orthorhombic, space group Pbcm, a=5.6557(3), b=15.8904(7), c=15.7938(7) A, V=1419.41(12), Z=4, R(F)=2.72% for 121 parameters with 1829 reflections with I>2σ(I). Ag 2 (MoO 3 ) 3 SeO 3 was synthesized by reacting AgNO 3 with MoO 3 , SeO 2 , and HF under hydrothermal conditions. The structure of Ag 2 (MoO 3 ) 3 SeO 3 consists of three crystallographically unique Mo(VI) centers that are in 2+2+2 coordination environments with two long, two intermediate, and two short bonds. These MoO 6 units are connected to form a molybdenyl ribbon that extends along the c-axis. These ribbons are further connected together through tridentate selenite anions to form two-dimensional layers in the [bc] plane. Crystallographic data: (193 K; MoKα, λ=0.71073 A): monoclinic, space group P2 1 /n, a=7.7034(5), b=11.1485(8), c=12.7500(9) A, β=105.018(1) V=1002.7(2), Z=4, R(F)=3.45% for 164 parameters with 2454 reflections with I>2σ(I). Ag 2 (MoO 3 ) 3 SeO 3 decomposes to Ag 2 Mo 3 O 10 on heating above 550 deg. C. - Graphical abstract: A view of the one-dimensional [(Mo 2 O 5 )(SeO 4 ) 2 (SeO 3 )] 4- chains that extend down the c-axis in the structure of Ag 4 (Mo 2 O 5 )(SeO 4

  1. Optical studies of CdSe/HgSe and CdSe/Ag2Se core/shell nanoparticles embedded in gelatin

    International Nuclear Information System (INIS)

    Azhniuk, Yu M; Dzhagan, V M; Valakh, M Ya; Raevskaya, A E; Stroyuk, A L; Kuchmiy, S Ya; Zahn, D R T

    2008-01-01

    CdSe/HgSe and CdSe/Ag 2 Se core-shell nanoparticles are obtained by colloidal synthesis from aqueous solutions in the presence of gelatin. Optical absorption, luminescence, and Raman spectra of the nanoparticles obtained are measured. The variation of the optical spectra of CdSe/HgSe and CdSe/Ag 2 Se core-shell nanoparticles with the shell thickness is discussed. Sharp non-monotonous variation of the photoluminescence spectra at low shell coverage is observed.

  2. V1.42In1.83Mo15Se19

    Directory of Open Access Journals (Sweden)

    Michel Potel

    2010-10-01

    Full Text Available The structure of the title compound, vanadium indium pentadecamolybdenum nonadecaselenide, V1.42In1.83Mo15Se19, is isotypic with In2.9Mo15Se19 [Grüttner et al. (1979. Acta Cryst. B35, 285–292]. It is characterized by two cluster units Mo6Sei8Sea6 and Mo9Sei11Sea6 (where i represents inner and a apical atoms that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry overline{3} and overline{6}, respectively. The clusters are interconnected through additional Mo—Se bonds. In the title compound, the V3+ cations replace the trivalent indium atoms present in In2.9Mo15Se19, and a deficiency is observed on the monovalent indium site. One Mo, one Se and the V atom are situated on mirror planes, and two other Se atoms and the In atom are situated on threefold rotation axes.

  3. ZnSe/ZnSeTe Superlattice Nanotips

    Directory of Open Access Journals (Sweden)

    Young SJ

    2010-01-01

    Full Text Available Abstract The authors report the growth of ZnSe/ZnSeTe superlattice nanotips on oxidized Si(100 substrate. It was found the nanotips exhibit mixture of cubic zinc-blende and hexagonal wurtzite structures. It was also found that photoluminescence intensities observed from the ZnSe/ZnSeTe superlattice nanotips were much larger than that observed from the homogeneous ZnSeTe nanotips. Furthermore, it was found that activation energies for the ZnSe/ZnSeTe superlattice nanotips with well widths of 16, 20, and 24 nm were 76, 46, and 19 meV, respectively.

  4. The effects of Sn addition on properties and structure in Ge-Se chalcogenide glass

    Science.gov (United States)

    Fayek, S. A.

    2005-01-01

    Far infrared transmission spectra of homogeneous compositions in the glassy alloy system Ge 1- xSn xSe 2.5 0⩽ x⩽0.6 have been observed in the spectral range 200-500 cm -1 at room temperature. The infrared absorption spectra show strong bands around 231, 284 and 311 cm -1 which were assigned to GeSe, SeSn, Se-Se. Tin atoms appear to substitute for the germanium atoms in the outrigger sites of Ge(Se 1/2) 4 tetrahedra up to 0.4. For x>0.5, the glasses show a new vibrational band of an isolated F 2 mode of the Ge-centered tetrahedra outside the clusters. A pronounced peculiarity (maximum or minimum) appeared at around the same value of the average coordination number at Z=2.65 for all composition dependence topological phase transition from two-dimensional (2D) layer type to three- dimensional (3D) cross-linked network structures in the glass. It is clear that the theoretical ν-values for Se-Se bond is less than the experimental one and that for Se-Ge is greater than the experimental one. This difference may be due to the existence of more close lying modes which tends to broaden the absorption bands. Quantitative justification of the absorption bands shows that theoretical wave numbers agree with its experimental values for Ge-Se stretching vibration bond.

  5. Experimental studies and nuclear model calculations on proton-induced reactions on $^{nat}$Se, $^{76}$Se and $^{77}$Se with particular reference to the production of the medically interesting radionuclides $^{76}$Br and $^{77}$Br

    CERN Document Server

    Hassan, H E; Coenen, H H; Morsy, M; Qaim, S M; Shubin, Yu; 10.1016/j.apradiso.2004.02.001

    2004-01-01

    Excitation functions of the reactions /sup nat/Se(p, x)/sup 75,76,77,82/Br, /sup 76/Se(p, xn)/sup 75,76/Br, /sup 76/Se(p, x)/sup 75/Se and /sup 77/Se(p, xn)/sup 76,77/Br were measured from their respective thresholds up to 40 MeV, with particular emphasis on data for the production of the medically important radionuclides /sup 76 /Br and /sup 77/Br. The conventional stacked-foil technique was used. The samples were prepared by a sedimentation process. Irradiations were performed using the compact cyclotron CV 28 and the injector of COSY, both at the Research Centre Julich. In order to validate the data, nuclear model calculations were performed using the code ALICE- IPPE which is based on the preequilibrium-evaporation model. Good agreement was found between the experimental and theoretical data, except in the high-energy region where the calculated data were somewhat higher. All the measured excitation curves were compared with the data available in the literature. From the experimental data the theoretical ...

  6. Theoretical interpretation of the nuclear structure of 88Se within the ACM and the QPM models.

    Science.gov (United States)

    Gratchev, I. N.; Thiamova, G.; Alexa, P.; Simpson, G. S.; Ramdhane, M.

    2018-02-01

    The four-parameter algebraic collective model (ACM) Hamiltonian is used to describe the nuclear structure of 88Se. It is shown that the ACM is capable of providing a reasonable description of the excitation energies and relative positions of the ground-state band and γ band. The most probable interpretation of the nuclear structure of 88Se is that of a transitional nucleus. The Quasiparticle-plus-Phonon Model (QPM) was also applied to describe the nuclear motion in 88Se. Preliminarily calculations show that the collectivity of second excited state {2}2+ is weak and that this state contains a strong two-quasiparticle component.

  7. Antiphase Boundaries in the Turbostratically Disordered Misfit Compound (BiSe)(1+δ)NbSe2.

    Science.gov (United States)

    Mitchson, Gavin; Falmbigl, Matthias; Ditto, Jeffrey; Johnson, David C

    2015-11-02

    (BiSe)(1+δ)NbSe2 ferecrystals were synthesized in order to determine whether structural modulation in BiSe layers, characterized by periodic antiphase boundaries and Bi-Bi bonding, occurs. Specular X-ray diffraction revealed the formation of the desired compound with a c-axis lattice parameter of 1.21 nm from precursors with a range of initial compositions and initial periodicities. In-plane X-ray diffraction scans could be indexed as hk0 reflections of the constituents, with a rectangular basal BiSe lattice and a trigonal basal NbSe2 lattice. Electron micrographs showed extensive turbostratic disorder in the samples and the presence of periodic antiphase boundaries (approximately 1.5 nm periodicity) in BiSe layers oriented with the [110] direction parallel to the zone axis of the microscope. This indicates that the structural modulation in the BiSe layers is not due to coherency strain resulting from commensurate in-plane lattices. Electrical transport measurements indicate that holes are the dominant charge carrying species, that there is a weak decrease in resistivity as temperature decreases, and that minimal charge transfer occurs from the BiSe to NbSe2 layers. This is consistent with the lack of charge transfer from the BiX to the TX2 layers reported in misfit layer compounds where antiphase boundaries were observed. This suggests that electronic considerations, i.e., localization of electrons in the Bi-Bi pairs at the antiphase boundaries, play a dominant role in stabilizing the structural modulation.

  8. Different effect of quenching temperature on Fe1+σTe0.5Se0.5 and β-FeSe

    Directory of Open Access Journals (Sweden)

    Zhongnan Guo

    2015-02-01

    Full Text Available In this work, we have demonstrated a different effect on Fe1+σTe0.5Se0.5 and β-FeSe by changing the quenching temperature. Tc is clearly reduced in Fe1+σTe0.5Se0.5 after increasing the quenching temperature from 300 °C to 500 °C, while that of β-FeSe is almost unchanged. Structure refinement indicates that after quenched at 500 °C, FeTe4 tetrahedron exhibits an expansion with the stretched Fe-Te bond, together with the increased amount of interstitial iron. These particular changes on structure are believed to be responsible for the suppression of superconductivity in Fe1+σTe0.5Se0.5.

  9. Synthesis and characterization of ZnSe:Fe/ZnSe core/shell nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Lin; Zhu, Jianguo, E-mail: yanglin_1028@163.com; Xiao, Dingquan

    2014-04-15

    High-quality ZnSe:Fe/ZnSe core/shell nanocrystals were prepared via a hydrothermal microemulsion technique. Effective surface passivation of monodisperse ZnSe:Fe nanocrystals is achieved by overcoating them with a ZnSe shell. The samples were characterized by means of XRD, EDX, TEM, PSD, XPS, photoluminescence, and Raman spectrum. The results show that the as-synthesized nanocrystals are cubic zinc blende ZnSe structure with high purity and the average particle size of ZnSe:Fe/ZnSe core/shell nanocrystal is larger than that of ZnSe:Fe core. The growth of ZnSe shell causes a small red shift in PL spectra, and then the PL quantum yield (QY) increases from 16% before shell growth to the maximum of 37% after increasing shell thickness up to 1.2 monolayers (ML). Moreover, both transverse optic (TO) and longitudinal optic (LO) phonon modes of ZnSe are shifted toward lower frequency as compared with the reported ones. -- Highlights: • ZnSe:Fe/ZnSe core/shell QDs were prepared by a hydrothermal microemulsion method. • ZnSe shell efficiently passivates surface defects by serving as a physical barrier. • The particle size and PL properties can be turned with the growth of ZnSe shell. • The luminescence efficiency and stability of QDs could be improved in this manner.

  10. Synthesis, crystal structure, optical, and electronic study of the new ternary thorium selenide Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Prakash, Jai [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Mesbah, Adel [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule-Bât. 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Beard, Jessica [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036), Institut Jean Barriol, Université de Lorraine, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy (France); Malliakas, Christos D. [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, Evanston, IL 60208-3113 (United States)

    2015-11-15

    The compound Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. Its crystal structure features one-dimensional chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. Each Th atom in these chains is coordinated to two Se–Se single-bonded pairs and four Se atoms to give rise to a pseudooctahedral geometry around Th. The Th–Se distances are consistent with Th{sup 4+} and hence charge balance of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is achieved as 3×Ba{sup 2+}, 1×Th{sup 4+}, 3×Se{sup 2−}, and 2×Se{sub 2}{sup 2−}. From optical measurements the band gap of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is 1.96(2) eV. DFT calculations indicate that the compound is a semiconductor. - Graphical abstract: Local coordination environment of Th atoms in the Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} structure. - Highlights: • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. • The structure features chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is a semiconductor with a band gap of 1.96(2) eV.

  11. Phase diagram of SnTe-CdSe cross-section of SnTe+CdSe reversible SnSe+CdTe ternary reciprocal system

    International Nuclear Information System (INIS)

    Dubrovin, I.V.; Budennaya, L.D.; Mizetskaya, I.B.; Sharkina, Eh.V.

    1986-01-01

    Phase equilibrium diagram of SnTe-CdSe cross-section of Sn, Cd long Te, Se ternary reciprocal system is investigated using the methods of differential thermal, X-ray phase, and microstructural analyses. Maximum length of solid solutions on the base of SnTe corresponds to approximately 14 mol.% at 1050 K and approximately 3 mol.% of CdSe at 670 K. Region of solid solutions on the base of CdSe corresponds to less than 1 mol.% of SnTe at room temperature. SnTe-CdSe cross-section is not a quasibinar one. Equilibrium is shifted to the left in the SnTe+CdSe reversible SnSe+CdTe reciprocal system

  12. Electrical activation and local structure of Se atoms in ion-implanted indium phosphide

    International Nuclear Information System (INIS)

    Yu, K.M.; Chan, N.; Hsu, L.

    1996-01-01

    The solid phase regrowth, dopant activation, and local environments of Se-implanted InP are investigated with ion-beam techniques and extended x-ray-absorption fine structure spectroscopy. We find that the local Se endash In structure is already established in the as-implanted amorphous InP although the Se atoms have a lower average coordination number (∼3.5) and no long-range order. After high-temperature rapid thermal annealing (950 degree C, 5 s), the amorphous InP regrows, becoming a single crystal with the Se atoms bonded to four In neighbors; however, only ∼50% of the Se becomes electrically active. Part of the Se precipitates in the form of an In endash Se phase, another part is compensated by defects which are not totally removed by annealing. The Se emdash In bond distance for a Se on a P site is 4.5% longer than the matrix In emdash P bond length, introducing large strains in the crystal. The solid solubility of Se in InP is estimated from our results to be ≅8.7x10 19 /cm 3 while the electron concentration saturates at 5.4x10 19 /cm 3 . Se atoms in InP regrown at lower temperatures in a furnace are only ∼7% electrically active and are found to have different local environments (higher coordination number and shorter bond distance) than those in the InP perfectly regrown at higher temperature. copyright 1996 American Institute of Physics

  13. A new one-dimensional compound: Synthesis and structure of InNb3(Se2)6

    International Nuclear Information System (INIS)

    Deng Shuiquan; Zhuang Honghui; Huang Jinshun; Huang Jingling

    1993-01-01

    The new one-dimensional compound, indium niobium selenide, was synthesized by high-temperature solid-state reactions. The structure is composed of [Nb 3 (Se 2 ) 6 ] ∞ chains running along the c axis with In atoms intercalated between these chains. All the Nb atoms have rectangular antiprismatic coordination environments. All the Se atoms in the structure are in the form of Se 2 dimers with Se-Se distances of 2.325(2) and 2.356(2) A. (orig.)

  14. CuInSe2 nano-crystallite reaction kinetics using solid state reaction from Cu2Se and In2Se3 powders

    International Nuclear Information System (INIS)

    Hsiang, Hsing-I; Lu, Li-Hsin; Chang, Yu-Lun; Ray, Dahtong; Yen, Fu-Su

    2011-01-01

    Highlights: → CuInSe 2 phase increased gradually accompanied with a decrease in γ-In 2 Se 3 and no intermediate phase during calcination. → CuInSe 2 formation from Cu 2 Se and In 2 Se 3 powders follows a one-dimensional diffusion-controlled reaction with apparent activation energy of about 122.5 kJ/mol. → The solid reaction kinetics may be dominated by the diffusion of In 3+ ions. - Abstract: The reaction mechanism and CuInSe 2 formation kinetics using a solid state reaction from Cu 2 Se and In 2 Se 3 powders synthesized using a heating up process were investigated using X-ray diffractomy (XRD) and transmission electron microscopy (TEM). It was observed that the CuInSe 2 phase increased gradually, accompanied with a decrease in γ-In 2 Se 3 with no intermediate phase as the calcination temperature and soaking time were increased. The reaction kinetics was analyzed using the Avrami and polynomial kinetic model, suggesting that CuInSe 2 formation from Cu 2 Se and In 2 Se 3 powders follows a diffusion-controlled reaction with an apparent activation energy of about 122.5-182.3 kJ/mol. Cu 2 Se and In 2 Se 3 phases react and directly transform into CIS without the occurrence of any intermediate phase and the size of the newly formed CuInSe 2 crystallites was close to that of the Cu 2 Se reactant particle based on the TEM results, which indicated that the solid reaction kinetics may be dominated by the diffusion of In 3+ ions.

  15. Improved photoluminescence quantum yield and stability of CdSe-TOP, CdSe-ODA-TOPO, CdSe/CdS and CdSe/EP nanocomposites

    Science.gov (United States)

    Wei, Shutian; Zhu, Zhilin; Wang, Zhixiao; Wei, Gugangfen; Wang, Pingjian; Li, Hai; Hua, Zhen; Lin, Zhonghai

    2016-07-01

    Size-controllable monodisperse CdSe nanocrystals with different organic capping were prepared based on the hot-injection method. The effective separation of nucleation and growth was achieved by rapidly mixing two highly reactive precursors. As a contrast, we prepared CdSe/CdS nanocrystals (NCs) successfully based on the selective ion layer adsorption and reaction (SILAR) technique. This inorganic capping obtained higher photoluminescence quantum yield (PLQY) of 59.3% compared with organic capping of 40.8%. Furthermore, the CdSe-epoxy resin (EP) composites were prepared by adopting a flexible ex situ method, and showed excellent stability in the ambient environment for one year. So the composites with both high PLQY of nanocrystals and excellent stability are very promising to device application.

  16. Extended analyses of Se VII and Se VIII

    International Nuclear Information System (INIS)

    Vankleef, Th.A.M.; Joshi, Y.N.

    1984-01-01

    Joshi et al. (1984) have conducted an analysis of the 3d8 4s-3d8 4p transitions in As VII. The present investigation is concerned with an analysis of similar transitions in Se VIII. The selenium spectrum was photographed in the 400-1200-A wavelength region on a variety of normal-incidence spectrographs. Attention is given to least-squares-fit (LSF) and Hartree-Fock (HF) parameter values for the 3d9 4d configuration of Se VII, LSF and HF parameter values for the 3d8 4s and 3d8 4p configurations of Se VIII, the energy and composition of the levels of the 3d9 4d configuration of Se VII, classified lines in Se VII, energy levels and composition of the 3d8 4s configuration and the revised and newly determined levels of the 3d8 4p configuration of Se VIII, and newly classified lines of Se VIII. 15 references

  17. The Ag2Se-HgSe-GeSe2 system and crystal structures of the compounds

    International Nuclear Information System (INIS)

    Parasyuk, O.V.; Gulay, L.D.; Romanyuk, Ya.E.; Olekseyuk, I.D.; Piskach, L.V.

    2003-01-01

    The phase diagram of the quasi-ternary Ag 2 Se-HgSe-GeSe 2 system at 298 K was investigated using X-ray phase analysis and metallography. The formation of five intermediate quaternary phases β (Ag ∼7.12-∼6.32 Hg ∼0.44-∼0.82 GeSe 6 ), γ (Ag ∼6.08-∼4.00 Hg ∼0.96-∼2.00 GeSe 6 ), δ (Ag 3.4 Hg 2.3 GeSe 6 ), ε (Ag ∼2.24-∼2.00 Hg ∼2.88-∼3.00 GeSe 6 ) and ∼Ag 1.4 Hg 1.3 GeSe 6 was established. The crystal structure of the β-phase (for the Ag 6.504 Hg 0.912 GeSe 6 composition) was determined using X-ray single crystal diffraction. It crystallizes in a cubic structure (space group F4-bar 3m) with the lattice parameter a=1.09026(4) nm. The crystal structure of the δ-phase (Ag 3.4 Hg 2.3 GeSe 6 ) was determined using X-ray powder diffraction (space group F4-bar 3m, a=1.07767(8) nm). The crystal structure determination of the γ-phase (space group Pmn2 1 ) was performed for the compositions Ag 5.6 Hg 1.2 GeSe 6 , Ag 4.8 Hg 1.6 GeSe 6 and Ag 4 Hg 2 GeSe 6 using X-ray powder diffraction. The crystal structure of the LT-Hg 2 GeSe 4 compound (space group I4-bar , a=0.56786(2), c=1.12579(5) nm) was confirmed by powder diffraction also.

  18. Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations

    Science.gov (United States)

    Zhang, Yu; Tang, Fu-Ling; Xue, Hong-Tao; Lu, Wen-Jiang; Liu, Jiang-Fei; Huang, Min

    2015-02-01

    Using first-principles plane-wave calculations within density functional theory, we theoretically studied the atomic structure, bonding energy and electronic properties of the perfect Mo (110)/MoSe2 (100) interface with a lattice mismatch less than 4.2%. Compared with the perfect structure, the interface is somewhat relaxed, and its atomic positions and bond lengths change slightly. The calculated interface bonding energy is about -1.2 J/m2, indicating that this interface is very stable. The MoSe2 layer on the interface has some interface states near the Fermi level, the interface states are mainly caused by Mo 4d orbitals, while the Se atom almost have no contribution. On the interface, Mo-5s and Se-4p orbitals hybridize at about -6.5 to -5.0 eV, and Mo-4d and Se-4p orbitals hybridize at about -5.0 to -1.0 eV. These hybridizations greatly improve the bonding ability of Mo and Se atom in the interface. By Bader charge analysis, we find electron redistribution near the interface which promotes the bonding of the Mo and MoSe2 layer.

  19. Molecular structure, vibrational spectra, MEP, HOMO-LUMO and NBO analysis of Hf(SeO3)(SeO4)(H2O)4

    Science.gov (United States)

    Yankova, Rumyana; Genieva, Svetlana; Halachev, Nenko; Dimitrova, Ginka

    2016-02-01

    Hf(SeO3)(SeO4)(H2O)4 was obtained with the hydrothermal synthesis. The geometry optimization of this molecule was done by Density Functional Theory (DFT/B3LYP) method with 6-31G(d) basis set and LANL2DZ for Hf. The experimental infrared spectrum was compared with calculated and complete vibrational assignment was provided. The bond orders and the electronic properties of the molecule were calculated. The natural bond orbital analysis (NBO) was performed in order to study the intramolecular bonding interactions among bonds and delocalization of unpaired electrons. The calculated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) with frontier orbital gap were presented. The electrostatic potential was calculated in order to investigate the reaction properties of the molecule. The thermodynamic properties of the studied compound at different temperatures were calculated.

  20. Phase diagram of Se-CaIn4Se7 system

    International Nuclear Information System (INIS)

    Musaeva, R.I.; Aliev, I.I; Ismailova, F.I; Aliev, A.A

    2011-01-01

    Full text: The Se-CaIn 4 Se 7 system has been studied using methods of differential thermal analysis, X-ray diffraction, micro structural analysis, density measurements and its phase diagram has been constructed. It has been established that the section Se-CaIn 4 Se 7 is a quasibinary section of the ternary system Ca-In-Se. At room temperature, on the basis of CaIn 2 Se 4 and Se no solid solution has been found

  1. Synthesis of 2-phenyl-1,2-benziso[77Se]selenazol-3(2H)-one: ''Ebselen''

    International Nuclear Information System (INIS)

    Oppenheimer, Jossian; Silks, L.A. III

    1996-01-01

    Synthesis of 2-Phenyl-1,2-benziso[ 77 Se]selenazol-3(2H)-one has been accomplished in one step from 94% 77 Se and commercially available starting materials in 76% yield based on the enriched elemental selenium. (author)

  2. On Some Physical Properties of GeSe3-Sb2Se3-ZnSe Thin Films and Their Radiation Response

    International Nuclear Information System (INIS)

    Hosni, H.M.M.A.

    2010-01-01

    Thin films of the chalcogenides GeSe 3 , Sb 2 Se 3 , ZnSe, (GeSe 3 )80(Sb 2 Se 3 )20 and (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20, are prepared by thermal evaporation onto glass substrates. The effect of ZnSe incorporation with both GeSe 3 , Sb 2 Se 3 results in amorphous (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20 composition as obtained from the X-ray analysis. Electrical measurements reveal a decrease in dc activation energy, ΔEdc, and an increase in ac activation energy, ΔEac, for (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20 as compared with (GeSe 3 )80(Sb 2 Se 3 )20. Optical energy gap, Eg, and band tail width, Ee, are estimated in UV/VIS spectral region for fresh and γ-irradiated films, revealing a decrease in Eg and an increase in Ee for ZnSe and (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20 compositions, with irradiation dose.

  3. Structure and properties of ZnSxSe1-x thin films deposited by thermal evaporation of ZnS and ZnSe powder mixtures

    Science.gov (United States)

    Valeev, R. G.; Romanov, E. A.; Vorobiev, V. L.; Mukhgalin, V. V.; Kriventsov, V. V.; Chukavin, A. I.; Robouch, B. V.

    2015-02-01

    Interest to ZnSxSe1-x alloys is due to their band-gap tunability varying S and Se content. Films of ZnSxSe1-x were grown evaporating ZnS and ZnSe powder mixtures onto SiO2, NaCl, Si and ITO substrates using an original low-cost method. X-ray diffraction patterns and Raman spectroscopy, show that the lattice structure of these films is cubic ZnSe-like, as S atoms replace Se and film compositions have their initial S/Se ratio. Optical absorption spectra show that band gap values increase from 2.25 to 3 eV as x increases, in agreement with the literature. Because S atomic radii are smaller than Se, EXAFS spectra confirm that bond distances and Se coordination numbers decrease as the Se content decreases. The strong deviation from linearity of ZnSe coordination numbers in the ZnSxSe1-x indicate that within this ordered crystal structure strong site occupation preferences occur in the distribution of Se and S ions. The behavior is quantitatively confirmed by the strong deviation from the random Bernoulli distribution of the three sight occupation preference coefficients of the strained tetrahedron model. Actually, the ternary ZnSxSe1-x system is a bi-binary (ZnS+ZnSe) alloy with evanescent formation of ternary configurations throughout the x-range.

  4. Semiconductor-metal transition of Se in Ru-Se Catalyst Nanoparticles

    Science.gov (United States)

    Babu, P. K.; Lewera, Adam; Oldfield, Eric; Wieckowski, Andrzej

    2009-03-01

    Ru-Se composite nanoparticles are promising catalysts for the oxygen reduction reaction (ORR) in fuel cells. Though the role of Se in enhancing the chemical stability of Ru nanoparticles is well established, the microscopic nature of Ru-Se interaction was not clearly understood. We carried out a combined investigation of ^77Se NMR and XPS on Ru-Se nanoparticles and our results indicate that Se, a semiconductor in elemental form, becomes metallic when interacting with Ru. ^77Se spin-lattice relaxation rates are found to be proportional to T, the well-known Korringa behavior characteristic of metals. The NMR results are supported by the XPS binding energy shifts which suggest that a possible Ru->Se charge transfer could be responsible for the semiconductor->metal transition of Se which also makes Ru less susceptible to oxidation during ORR.

  5. Smear layer-deproteinizing improves bonding of one-step self-etch adhesives to dentin.

    Science.gov (United States)

    Thanatvarakorn, Ornnicha; Prasansuttiporn, Taweesak; Thittaweerat, Suppason; Foxton, Richard M; Ichinose, Shizuko; Tagami, Junji; Hosaka, Keiichi; Nakajima, Masatoshi

    2018-03-01

    Smear layer deproteinizing was proved to reduce the organic phase of smear layer covered on dentin surface. It was shown to eliminate hybridized smear layer and nanoleakage expression in resin-dentin bonding interface of two-step self-etch adhesive. This study aimed to investigate those effects on various one-step self-etch adhesives. Four different one-step self-etch adhesives were used in this study; SE One (SE), Scotchbond™ Universal (SU), BeautiBond Multi (BB), and Bond Force (BF). Flat human dentin surfaces with standardized smear layer were prepared. Smear layer deproteinizing was carried out by the application of 50ppm hypochlorous acid (HOCl) on dentin surface for 15s followed by Accel ® (p-toluenesulfinic acid salt) for 5s prior to adhesive application. No surface pretreatment was used as control. Microtensile bond strength (μTBS) and nanoleakage under TEM observation were investigated. The data were analyzed by two-way ANOVA and Tukey's post-hoc test and t-test at the significant level of 0.05. Smear layer deproteinizing significantly improved μTBS of SE, SU, and BB (player observed in control groups of SE, BB, and BF, and reticular nanoleakage presented throughout the hybridized complex in control groups of BB and BF were eliminated upon the smear layer deproteinizing. Smear layer deproteinizing by HOCl and Accel ® application could enhance the quality of dentin for bonding to one-step self-etch adhesives, resulting in the improving μTBS, eliminating hybridized smear layer and preventing reticular nanoleakage formation in resin-dentin bonding interface. Copyright © 2018 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  6. Thermal analysis of chalcogenide glasses of the system (As/sub/2Se/sub/3)/sub/(1-x):(Tl/sub/2Se)/sub/x

    International Nuclear Information System (INIS)

    Majid, C.A.

    1987-01-01

    In this paper differential thermal analysis (DTA) measurements of chalcogenide glasses of the system (As/sub/2Se/sub/3)/sub/(1-x): (Tl/sub/2Se)/sub/x, with x=0, 0.125, 0.25 and 0.50 are reported. The glass-forming tendencies of these materials have been calculated. The glass-forming tendency of As/sub/2Se/sub/3 has been found to be the highest among the member glasses of this family of chalcogenides. It was found that the glass-forming tendency of As/sub/2Se/sub/3 decreasing gradually at the Tl/sub/2/Se concentration increases. Tl/sub/2Se additions lower the glass transition temperature T/sub/q and the area under the endothermic peak for glass transition temperature, suggesting a tendency for relatively weaker bonding and hence less stability of Tl-rich glass compositions. These studies show that Tl/sub/2Se concentrations result in glasses with progressively higher crystallization tendencies. (author)

  7. Bio-fortification and isotopic labelling of Se metabolites in onions and carrots following foliar application of Se and 77Se

    DEFF Research Database (Denmark)

    Kápolna, Emese; Laursen, Kristian H.; Husted, Søren

    2012-01-01

    Se. The 77Se- labelled metabolites in onions were predominantly γ-glutamyl-77Se-selenomethyl-selenocysteine (γ-glu-Me77SeCys), 77Se-methylselenocysteine (Me77SeCys) and 77Se-selenomethionine (77SeMet). Furthermore, we report here for the first time the finding in carrots of the bioactive Me77SeCys...

  8. Neutron diffraction study of high temperature phase of K2SeO4

    International Nuclear Information System (INIS)

    Iwata, Yutaka; Koyano, Nobumitsu; Shibuya, Iwao; Hidaka, Masanori; Okazaki, Atsushi.

    1984-01-01

    The crystal structure of high-temperature phase of K 2 SeO 4 has been determined by means of single crystal neutron diffraction. The space group is P6 3 /mmc of hexagonal system with two formula units per unit cell. The structure is characterized by an averaged dispositions of SeO 4 tetrahedra with one of its Se-O bonds pointing parallel and antiparallel to the hexagonal c-axis in addition to the split distribution of potassium atoms. Heavily distorted distribution of oxygen atoms in SeO 4 is observed in Fourier maps corrersponding to split positions and reorientational motion of tetrahedra. This disordered arrangement is found to have close relation with the room temperature orthorhombic structure. The hexagonal-orthorhombic phase transition of K 2 SeO 4 at 472 0 C is grouped to an order-disorder type. (author)

  9. Thermoelectric Properties of Li-Intercalated ZrSe2 Single Crystals

    DEFF Research Database (Denmark)

    Holgate, Tim; Liu, Yufei; Hitchcock, Dale

    2013-01-01

    Zirconium diselenide (ZrSe2) is one of many members of the layer-structured transition-metal dichalcogenide family. The structure of these materials features a weakly bonded van der Waals gap between covalently bonded CdI2-type atomic layers that may host a wide range of intercalants. Intercalation......, and low cost of such materials, merit further thermoelectric investigations of intercalated zirconium diselenide, especially in conjunction with a substitutional doping approach....

  10. Synthesis of 2-phenyl-1,2-benziso[{sup 77}Se]selenazol-3(2H)-one: ``Ebselen``

    Energy Technology Data Exchange (ETDEWEB)

    Oppenheimer, Jossian; Silks, L.A. III [Los Alamos National Lab., NM (United States)

    1996-03-01

    Synthesis of 2-Phenyl-1,2-benziso[{sup 77}Se]selenazol-3(2H)-one has been accomplished in one step from 94% {sup 77}Se and commercially available starting materials in 76% yield based on the enriched elemental selenium. (author).

  11. Direct Observation of High-Temperature Superconductivity in One-Unit-Cell FeSe Films

    International Nuclear Information System (INIS)

    Zhang Wen-Hao; Zhang Jin-Song; Li Fang-Sen; Guo Ming-Hua; Ding Hao; Tang Chen-Jia; Wang Qing-Yan; He Ke; Ji Shuai-Hua; Chen Xi; Sun Yi; Zhao Yan-Fei; Xing Ying; Wang Hui-Chao; Zhang Hui-Min; Peng Jun-Ping; Li Zhi; Wang Meng; Fujita Takeshi; Hirata Akihiko

    2014-01-01

    We prepared one-unit-cell (1-UC) thick FeSe films on insulating SrTiO 3 substrates with non-superconducting FeTe protection layers by molecular beam epitaxy for ex situ studies. By direct transport and magnetic measurements, we provide definitive evidence for high temperature superconductivity in the 1-UC FeSe films with an onset T C above 40 K and an extremely large critical current density J C ∼1.7×10 6 A/cm 2 at 2 K, which are much higher than T C ∼8 K and J C ∼10 4 A/cm 2 for bulk FeSe, respectively. Our work may pave the way to enhancing and tailoring superconductivity by interface engineering. (express letter)

  12. A Review of SnSe: Growth and Thermoelectric Properties

    Science.gov (United States)

    Nguyen, Van Quang; Kim, Jungdae; Cho, Sunglae

    2018-04-01

    SnSe is a 2D semiconductor with an indirect energy gap of 0.86 - 1 eV; it is widely used in solar cell, optoelectronics, and electronic device applications. Recently, SnSe has been considered as a robust candidate for energy conversion applications due to its high thermoelectric performance ( ZT = 2.6 in p-type and 2.2 in n-type), which is assigned mainly to its anhamornic bonding leading to an ultralow thermal conductivity. In this review, we first discuss the crystalline and electronic structures of SnSe and the source of its p-type characteristic. Then, some typical single crystal and polycrystal growth techniques, as well as an epitaxial thin film growth technique, are outlined. The reported thermoelectric properties of SnSe grown by using each technique are also reviewed. Finally, we will describe some remaining issues concerning the use of SnSe for thermoelectric applications.

  13. Phase diagram of ZnCr2pA12-2pS(Se)4 and Zn1-pCdpCr2S(Se)4

    International Nuclear Information System (INIS)

    Afif, K.; Benyoussef, A.; Hamedoun, M.; Hourmatallah, A.

    1999-06-01

    We compute the phase diagram of the nonmetallic compounds ZnCr2 p A1 2-2p S(Se) 4 (I[S,Se]) and Zn 1-p Cd p Cr 2 S(Se) 4 (II[S,Se]). We consider the bond-diluted Ising model on the spinel B site (S.B.S.) lattice with competitive exchange interactions, i.e. the ferromagnetic exchange interaction J 1 between nearest neighbours (n.n.) and the antiferromagnetic superexchange interaction J 2 between next-nearest neighbours' (n.n.n.) (and/or the more distant superexchange interactions J i (i > 1). Dilution and competition are found to be responsible for the spill glass phase and the percolation behaviour. (author)

  14. Structure and optical properties of GaSe-CdSe composites driven by Cd intercalation in GaSe lamellar crystals

    International Nuclear Information System (INIS)

    Caraman, Iuliana; Kantser, Valeriu; Evtodiev, Igor; Untila, Dumitru; Dmitroglo, Liliana; Leontie, Liviu; Arzumanyan, Grigory

    2015-01-01

    A new composite material composed of GaSe and CdSe has been obtained by treatment of GaSe single-crystal lamellas in Cd vapors at temperatures of 773-853 K and intercalation of Cd interlayers. The structure and optical properties of the GaSe-CdSe composite material have been studied. The content of CdSe crystallites was found to grow with increasing treatment temperature or with increasing duration of treatment at a constant temperature. Analysis of XRD, PL, XPS, AFM, and Raman patterns has shown that the heterogeneous composite composed of micro and nanocrystallites of CdSe in GaSe can be obtained by Cd intercalation in a temperature range of 753-853 K. On the basis of Raman spectrum, the vibrational modes of the composite have been identified. The PL of these materials contains emission bands of free and bound excitons, donor-acceptor bands, and bands of recombination via impurity levels. The PL emission spectra measured at a temperature of 78 and 300 K for the composites result from the overlapping of the emission bands of the components of GaSe doped with Cd and the CdSe crystallites. (authors)

  15. X-ray photoelectron spectra and electronic structure of quasi-one-dimensional SbSeI crystals

    Directory of Open Access Journals (Sweden)

    J.Grigas

    2007-01-01

    Full Text Available The paper presents the X-ray photoelectron spectra (XPS of the valence band (VB and of the principal core levels from the (110 and (001 crystal surfaces for the quasi-one-dimensional high permittivity SbSeI single crystal isostructural to ferroelectric SbSI. The XPS were measured with monochromatized Al Ka radiation in the energy range of 0-1400 eV at room temperature. The VB is located from 1.6 to 20 eV below the Fermi level. Experimental energies of the VB and core levels are compared with the results of theoretical ab initio calculations of the molecular model of the SbSeI crystal. The electronic structure of the VB is revealed. Shifts in the core-level binding energies of surface atoms relative to bulk ones, which show a dependency on surface crystallography, have been observed. The chemical shifts of the core levels (CL in the SbSeI crystal for the Sb, I and Se states are obtained.

  16. Stable and metastable phases in reciprocal systems PbSe + Ag2I2 Ag2Se + PbI2 and PbSe + CdI2 = CdSe + PbI2

    International Nuclear Information System (INIS)

    Odin, I.N.; Grin'ko, V.V.; Kozlovskij, V.F.; Safronov, E.V.

    2005-01-01

    Mutual system PbSe + Ag 2 I 2 = Ag 2 Se + PbI 2 is investigated. It is shown that diagonal Ag 2 Se-PbI 2 is stable. Liquidus surface and isothermal section at 633 K of phase diagram of PbSe-Ag 2 Se-PbI 2 system are built. Transformations directing to crystallization metastable ternary compound forming in PbSe-PbI 2 system and metastable polytype modifications of lead iodide in PbSe-Ag 2 Se-PbI 2 system at 620-685 K are studied. By hardening from molten state (1150-1220 K) new interstitial metastable phases crystallizing in CdCl 2 structural type are obtained in PbSe-Ag 2 Se-PbI 2 and PbSe + CdI 2 = CdSe + PbI 2 systems [ru

  17. One-step electrodeposition process of CuInSe2: Deposition time effect

    Indian Academy of Sciences (India)

    Administrator

    CuInSe2 thin films were prepared by one-step electrodeposition process using a simplified two- electrodes system. ... homojunctions or heterojunctions (Rincon et al 1983). Efficiency of ... deposition times onto indium thin oxide (ITO)-covered.

  18. Measurement of 76Se and 78Se (γ, n) cross sections

    International Nuclear Information System (INIS)

    Kitatani, Fumito; Harada, Hideo; Goko, Shinji; Utsunomiya, Hiroaki; Akimune, Hidetoshi; Toyokawa, Hiroyuki; Yamada, Kawakatsu

    2011-01-01

    The (γ, n) cross sections of Se isotopes ( 76 Se, 78 Se) were measured to supply fundamental data for estimating the inverse reaction cross section, i.e., the 79 Se(n, γ) 80 Se cross section. The enriched samples and a reference 197 Au sample were irradiated with laser-Compton scattering (LCS) γ-rays. The excitation function of each (γ, n) cross section was determined for the energy range from each near neutron separation energy to the threshold energy of (γ, 2n) reaction. The energy point corresponding to each cross section was deduced using the accurately determined energy distribution of LCS γ-rays. Systematic (γ, n) cross sections for Se isotopes including 80 Se were compared with those calculated by using a statistical model calculation code TALYS. (author)

  19. Composition-dependent nanostructure of Cu(In,Ga)Se{sub 2} powders and thin films

    Energy Technology Data Exchange (ETDEWEB)

    Schnohr, C.S., E-mail: c.schnohr@uni-jena.de [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Kämmer, H.; Steinbach, T.; Gnauck, M. [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Rissom, T.; Kaufmann, C.A.; Stephan, C. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Schorr, S. [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Institut für Geologische Wissenschaften, Freie Universität Berlin, Malteserstr. 74-100, 12249 Berlin (Germany)

    2015-05-01

    Atomic-scale structural parameters of Cu(In,Ga)Se{sub 2} powders and polycrystalline thin films were determined as a function of the In and Cu contents using X-ray absorption spectroscopy. No difference in the two sample types is observed for the average bond lengths demonstrating the strong tendency towards bond length conservation typical for tetrahedrally coordinated semiconductors. In contrast, the bond length variation is significantly smaller in the thin films than in the powders, particularly for Cu-poor material. This difference in the nanostructure is proposed to originate from differences in the preparation conditions, most prominently from the different history of Cu composition. - Highlights: • Cu(In,Ga)Se{sub 2} powders and thin films are studied with X-ray absorption spectroscopy. • Structural parameters are determined as a function of the In and Cu contents. • The element-specific average bond lengths are identical for powders and thin films. • The Ga-Se/In-Se bond length variation is smaller for thin films than for powders. • The differences are believed to stem from the different history of the Cu content.

  20. Study of the 76788082Se(d,p)77798183Se reactions using polarized deuterons

    International Nuclear Information System (INIS)

    Montestruque, L.A.

    1978-01-01

    Differential cross sections and vector analyzing powers were measured at an incident deuteron energy of 12.5 MeV for the 76 78 80 82 Se(d,p) 77 79 81 83 Se reactions. The data are compared with the predictions of the DWBA theory to determine the l-value, spin, parity and spectroscopic factor of the resolved states. High resolution measurements were made with a 100 cm broad-range magnetic spectrograph to determine the excitation energies of the states studied, and the possible existence of contaminants in the targets. Definitive spin and parity assignments are made to 16 states in 77 Se, 22 states in 79 Se, 17 states in 81 Se, and 18 states in 83 Se, fifteen of which were previously assigned. In addition, tentative spin assignments were made to one state in 83 Se. The spectrograph measurements allowed the determination of the excitation energies of anumber of additional states in each isotope. Among the 76 states studied in this work, ther are 8 2P/sub 3/2/ states, 4 1F/sub 5/2/ states 6 2P/sub 1/2/ states 4 1G/sub 9/2/ states, 31 2D/sub 5/2/ states, 10 3S/sub 1/2/ states, and 13 2D/sub 3/2 states. A sum-rule analysis was made and the results compared to previous work and to the predictions of the simple pairing theory

  1. Thermoelectric prospects of chemically deposited PbSe and SnSe thin films

    Science.gov (United States)

    Nair, P. K.; Martínez, Ana Karen; Rosa García Angelmo, Ana; Barrios Salgado, Enue; Nair, M. T. S.

    2018-03-01

    Thin films of PbSe of 400-600 nm in thickness, were obtained via chemical deposition from a solution containing lead nitrate, thiourea and selenosufate. SnSe thin films of 90-180 nm in thickness, were also obtained by chemical deposition from a solution containing selenosulfate. Optical and electrical properties of these thin films were significantly altered by heating them in selenium vapor at 300 °C. Thin film PbSe has a bandgap (Eg) of 1.17 eV (direct gap, forbidden transitions), which decreases to 0.77 eV when it has been heated. Its electrical conductivity (σ) is p-type: 0.18 Ω-1 cm-1 (as-prepared), and 6.4 Ω-1 cm-1 when heated. Thin film SnSe is of orthorhombic crystalline structure which remains stable when heated at 300 °C, but its Eg increases from 1.12 eV (indirect) in as-prepared film to 1.5 eV (direct, forbidden transitions) upon heating. Its electrical conductivity is p-type, which increases from 0.3 Ω-1 cm-1 (as-prepared) to 1 Ω-1 cm-1 when heated (without Se-vapor). When SnSe film is heated at 300 °C in the presence of Se-vapor, they transform to SnSe2, with Eg of 1.5 eV (direct, forbidden) with n-type electrical conductivity, 11 Ω-1 cm-1. The Seebeck coefficient for the PbSe films is: +0.55 mV K-1 (as prepared) and +0.275 mV K-1 (heated); for SnSe films it is: +0.3 mV K-1 (as prepared) and +0.20 mV K-1 (heated); and for SnSe2 film, - 0.35 mV K-1. A five-element PbSe-SnSe2-PbSe-SnSe2-PbSe thermoelectric device demonstrated 50 mV for a temperature difference ΔT = 20 °C (2.5 mV K-1). For SnSe-SnSe2-SnSe-SnSe2-SnSe device, the value is 15 mV for ΔT = 20 °C (0.75 mV K-1). Prospect of these thin films in thermoelectric devices of hybrid materials, in which the coatings may be applied on distinct substrate and geometries is attractive.

  2. Achieving tunable doping of MoSe2 based devices using GO@MoSe2 heterostructure

    Science.gov (United States)

    Maji, Tuhin Kumar; Tiwary, Krishna Kanhaiya; Karmakar, Debjani

    2017-05-01

    Doping nature of MoSe2, one of the promising Graphene analogous device material, can be tuned by controlling the concentration of functional groups in Graphene oxide (GO)@MoSe2 heterostructure. In this study, by first-principles simulation, we have observed that GO can be used as a carrier injection layer for MoSe2, where n or p type carriers are introduced within MoSe2 layer depending on the type and concentration of functional moieties in it. Both n and p-type Schottky barrier height modulations are investigated for different modeled configurations of the heterostructure. This combinatorial heterostructure can be a promising material for future electronic device application.

  3. Dynamic surface electronic reconstruction as symmetry-protected topological orders in topological insulator Bi2Se3

    Science.gov (United States)

    Shu, G. J.; Liou, S. C.; Karna, S. K.; Sankar, R.; Hayashi, M.; Chou, F. C.

    2018-04-01

    The layered narrow-band-gap semiconductor Bi2Se3 is composed of heavy elements with strong spin-orbital coupling, which has been identified both as a good candidate for a thermoelectric material with high thermoelectric figure of merit (Z T ) and as a topological insulator of the Z2 type with a gapless surface band in a Dirac-cone shape. The existence of a conjugated π -bond system on the surface of each Bi2Se3 quintuple layer is proposed based on an extended valence bond model with valence electrons distributed in the hybridized orbitals. Supporting experimental evidence of a two-dimensional (2D) conjugated π -bond system on each quintuple layer of Bi2Se3 is provided using electron energy-loss spectroscopy and electron density mapping through inverse Fourier transform of x-ray diffraction data. Quantum chemistry calculations support the π -bond existence between partially filled 4 pz orbitals of Se via side-to-side orbital overlap positively. The conjugated π -bond system on the surface of each quintuple Bi2Se3 layer is proposed to be similar to that found in graphite (graphene) and responsible for the unique 2D conduction mechanism. The van der Waals (vdW) attractive force between quintuple layers is interpreted to be coming from the antiferroelectrically ordered effective electric dipoles, which are constructed with π -bond trimer pairs on Se layers across the vdW gap of minimized Coulomb repulsion.

  4. One-dimensional zinc selenophosphates: A_2ZnP_2Se_6 (A = K, Rb, Cs)

    International Nuclear Information System (INIS)

    Haynes, Alyssa S.; Lee, Katherine; Kanatzidis, Mercouri G.

    2016-01-01

    The new compounds A_2ZnP_2Se_6 (A = K, Rb, Cs) were synthesized via molten salt flux syntheses. The crystals feature one-dimensional "1/_∞[ZnP_2Se_6]"2"- chains charge balanced by alkali metal ions between the chains. K_2ZnP_2Se_6 crystallizes in the monoclinic space group P2_1/c; cell parameters a = 12.537(3) Aa, b = 7.2742(14) Aa, c = 14.164(3) Aa, β = 109.63(3) , Z = 4, and V = 1216.7(4) Aa"3. Rb_2ZnP_2Se_6 and Cs_2ZnP_2Se_6 are isotypic, crystallizing in the triclinic space group P anti 1. Rb_2ZnP_2Se_6 has cell parameters of a = 7.4944(15) Aa, b = 7.6013(15) Aa, c = 12.729(3) Aa, α = 96.57(3) , β = 105.52(3) , γ = 110.54(3) , Z = 2, and V = 636.6(2) Aa"3. Cs_2ZnP_2Se_6 has cell parameters of a = 7.6543(6) Aa, b = 7.7006(6) Aa, c = 12.7373(11) Aa, α = 97.007(7) , β = 104.335(7) , γ = 109.241(6) , Z = 2, and V = 669.54(10) Aa"3. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Expression and crystallization of SeDsbA, SeDsbL and SeSrgA from Salmonella enterica serovar Typhimurium

    International Nuclear Information System (INIS)

    Jarrott, R.; Shouldice, S. R.; Gunčar, G.; Totsika, M.; Schembri, M. A.; Heras, B.

    2010-01-01

    The cloning, purification, crystallization and preliminary crystallographic studies of three DsbA-like proteins present in S. enterica serovar Typhimurium, SeDsbA, SeDsbL and SeSrgA, are reported. Pathogens require protein-folding enzymes to produce functional virulence determinants. These foldases include the Dsb family of proteins, which catalyze oxidative folding in bacteria. Bacterial disulfide catalytic processes have been well characterized in Escherichia coli K-12 and these mechanisms have been extrapolated to other organisms. However, recent research indicates that the K-12 complement of Dsb proteins is not common to all bacteria. Importantly, many pathogenic bacteria have an extended arsenal of Dsb catalysts that is linked to their virulence. To help to elucidate the process of oxidative folding in pathogens containing a wide repertoire of Dsb proteins, Salmonella enterica serovar Typhimurium has been focused on. This Gram-negative bacterium contains three DsbA proteins: SeDsbA, SeDsbL and SeSrgA. Here, the expression, purification, crystallization and preliminary diffraction analysis of these three proteins are reported. SeDsbA, SeDsbL and SeSrgA crystals diffracted to resolution limits of 1.55, 1.57 and 2.6 Å and belonged to space groups P2 1 , P2 1 2 1 2 and C2, respectively

  6. Quantum chemistry of the minimal CdSe clusters

    Science.gov (United States)

    Yang, Ping; Tretiak, Sergei; Masunov, Artëm E.; Ivanov, Sergei

    2008-08-01

    Colloidal quantum dots are semiconductor nanocrystals (NCs) which have stimulated a great deal of research and have attracted technical interest in recent years due to their chemical stability and the tunability of photophysical properties. While internal structure of large quantum dots is similar to bulk, their surface structure and passivating role of capping ligands (surfactants) are not fully understood to date. We apply ab initio wavefunction methods, density functional theory, and semiempirical approaches to study the passivation effects of substituted phosphine and amine ligands on the minimal cluster Cd2Se2, which is also used to benchmark different computational methods versus high level ab initio techniques. Full geometry optimization of Cd2Se2 at different theory levels and ligand coverage is used to understand the affinities of various ligands and the impact of ligands on cluster structure. Most possible bonding patterns between ligands and surface Cd/Se atoms are considered, including a ligand coordinated to Se atoms. The degree of passivation of Cd and Se atoms (one or two ligands attached to one atom) is also studied. The results suggest that B3LYP/LANL2DZ level of theory is appropriate for the system modeling, whereas frequently used semiempirical methods (such as AM1 and PM3) produce unphysical results. The use of hydrogen atom for modeling of the cluster passivating ligands is found to yield unphysical results as well. Hence, the surface termination of II-VI semiconductor NCs with hydrogen atoms often used in computational models should probably be avoided. Basis set superposition error, zero-point energy, and thermal corrections, as well as solvent effects simulated with polarized continuum model are found to produce minor variations on the ligand binding energies. The effects of Cd-Se complex structure on both the electronic band gap (highest occupied molecular orbital-lowest unoccupied molecular orbital energy difference) and ligand binding

  7. Core–shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xinqin; Cui, Yingqi; Zeng, Qun; Yang, Mingli, E-mail: myang@scu.edu.cn [Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065 (China); Yu, Shengping [College of Chemistry and Environment Protection Engineering, Southwest University for Nationalities, Chengdu 610041 (China)

    2016-04-07

    The structural, electronic, and optical properties of core-shell nanoclusters, (CdSe){sub x}@(CdSe){sub y} and their Zn-substituted complexes of x = 2–4 and y = 16–28, were studied with density functional theory calculations. The substitution was applied in the cores, the shells, and/or the whole clusters. All these clusters are characterized by their core-shell structures in which the core-shell interaction was found different from those in core or in shell, as reflected by their bondlengths, volumes, and binding energies. Moreover, the core and shell combine together to compose a new cluster with electronic and optical properties different from those of separated individuals, as reflected by their HOMO-LUMO gaps and optical absorptions. With the substitution of Cd by Zn, the structural, electronic, and optical properties of clusters change regularly. The binding energy increases with Zn content, attributed to the strong Zn–Se bonding. For the same core/shell, the structure with a CdSe shell/core has a narrower gap than that with a ZnSe shell/core. The optical absorption spectra also change accordingly with Zn substitution. The peaks blueshift with increasing Zn concentration, accompanying with shape variations in case large number of Cd atoms are substituted. Our calculations reveal the core-shell interaction and its influence on the electronic and optical properties of the core-shell clusters, suggesting a composition–structure–property relationship for the design of core-shell CdSe and ZnSe nanoclusters.

  8. Synthesis and crystal structure of hydrogen selenates K(HSeO4)(H2SeO4) and Cs(HSeO4)(H2SeO4)

    International Nuclear Information System (INIS)

    Troyanov, S.I.; Morozov, I.V.; Zakharov, M.A.; Kemnitz, E.

    1999-01-01

    Hydrogen selenates of the compositions K(HSeO 4 )(H 2 SeO 4 ) and Cs(HSeO 4 )(H 2 SeO 4 ) are synthesized by the reaction of alkali metal carbonates with an excess of the concentrated selenic acid. The X-ray diffraction study showed that both compounds are isostructural to the corresponding hydrogen sulfates. The difference in the systems of hydrogen bonding are caused by various combinations of the acceptor functions of the oxygen atoms in the HSeO 4 and H 2 SeO 4 groups

  9. Controllable size reduction of CdSe nanowires through the intermediate formation of Se-coated CdSe nanowires using acid and thermal treatment

    Energy Technology Data Exchange (ETDEWEB)

    Lam, N S [Department of Physics, Chinese University of Hong Kong, Hong Kong (China); Wong, K W [Department of Physics, Chinese University of Hong Kong, Hong Kong (China); Li, Q [Department of Physics, Chinese University of Hong Kong, Hong Kong (China); Zheng, Z [Department of Physics, Chinese University of Hong Kong, Hong Kong (China); Lau, W M [Surface Science Western, University of Western Ontario, London, ON, N6A 5B7 (Canada)

    2007-10-17

    Thinning of CdSe nanowires (NWs) with controllable size was achieved by a simple acid treatment and subsequent annealing on thick CdSe NWs synthesized from vapour phase growth. During acid treatment, not only the undesired impurities such as native oxides of Cd and Se could be etched, but surface reactions of CdSe NWs were also observed, resulting in the formation of a layer of elemental Se around a thinner CdSe core. As a result, a heterostructure of Se - CdSe nanostructure formed after acid treatment of CdSe NWs. Upon thermal annealing, the Se shell was effectively removed and thinned stoichiometric single-crystalline CdSe NWs could be obtained. It was observed that NWs could be thinned by up to {approx}60% in diameter by acid treatment and subsequent Se thermal desorption. The degree of thinning was controllable by adjusting the duration of acid treatment. The success of the thinning of CdSe NWs by simple acid treatment and the annealing process reported here opens a new processing route for obtaining stoichiometric CdSe NWs with controllable size reduction and improved aspect ratio. This can undoubtedly broadly improve the range of applications of 1D CdSe nanostructures and allow more exploration of their uni-directional properties. A correction was made to the last paragraph of section 3 on 18 September 2007. The corrected electronic version is identical to the print version.

  10. Controllable size reduction of CdSe nanowires through the intermediate formation of Se-coated CdSe nanowires using acid and thermal treatment

    International Nuclear Information System (INIS)

    Lam, N S; Wong, K W; Li, Q; Zheng, Z; Lau, W M

    2007-01-01

    Thinning of CdSe nanowires (NWs) with controllable size was achieved by a simple acid treatment and subsequent annealing on thick CdSe NWs synthesized from vapour phase growth. During acid treatment, not only the undesired impurities such as native oxides of Cd and Se could be etched, but surface reactions of CdSe NWs were also observed, resulting in the formation of a layer of elemental Se around a thinner CdSe core. As a result, a heterostructure of Se - CdSe nanostructure formed after acid treatment of CdSe NWs. Upon thermal annealing, the Se shell was effectively removed and thinned stoichiometric single-crystalline CdSe NWs could be obtained. It was observed that NWs could be thinned by up to ∼60% in diameter by acid treatment and subsequent Se thermal desorption. The degree of thinning was controllable by adjusting the duration of acid treatment. The success of the thinning of CdSe NWs by simple acid treatment and the annealing process reported here opens a new processing route for obtaining stoichiometric CdSe NWs with controllable size reduction and improved aspect ratio. This can undoubtedly broadly improve the range of applications of 1D CdSe nanostructures and allow more exploration of their uni-directional properties. A correction was made to the last paragraph of section 3 on 18 September 2007. The corrected electronic version is identical to the print version

  11. Nuclear structure properties and stellar weak rates for 76Se: Unblocking of the Gamow Teller strength

    Science.gov (United States)

    Nabi, Jameel-Un; Ishfaq, Mavra; Böyükata, Mahmut; Riaz, Muhammad

    2017-10-01

    At finite temperatures (≥ 107K), 76Se is abundant in the core of massive stars and electron capture on 76Se has a consequential role to play in the dynamics of core-collapse. The present work may be classified into two main categories. In the first phase we study the nuclear structure properties of 76Se using the interacting boson model-1 (IBM-1). The IBM-1 investigations include the energy levels, B (E 2) values and the prediction of the geometry. We performed the extended consistent-Q formalism (ECQF) calculation and later the triaxial formalism calculation (constructed by adding the cubic term to the ECQF). The geometry of 76Se can be envisioned within the formalism of the potential energy surface based on the classical limit of IBM-1 model. In the second phase, we reconfirm the unblocking of the Gamow-Teller (GT) strength in 76Se (a test case for nuclei having N > 40 and Z fashion. Results are compared with experimental data and previous calculations. The calculated GT distribution fulfills the Ikeda sum rule. Rates for β-delayed neutrons and emission probabilities are also calculated. Our study suggests that at high stellar temperatures and low densities, the β+-decay on 76Se should not be neglected and needs to be taken into consideration along with electron capture rates for simulation of presupernova evolution of massive stars.

  12. Short-range order analysis and some physical properties of InxSe1-x glasses

    International Nuclear Information System (INIS)

    El-Kabany, N.

    2012-01-01

    Bulk In x Se 1-x (with x=5-25 at%) glasses were prepared using the melt-quench technique. Short range order(SRO) was examined by the X-ray diffraction using Cu(k α ) radiation in the wave vector interval 0.28≤k≤6.5 A 0-1 .The SRO parameters have been obtained from the radial distribution function. The inter-atomic distance obtained from the first and second peak are r 1 =0.263 and r 2 =0.460 nm, which is equivalent In-Se and Se-Se bond length. The fundamental structural unit for the studied glasses is In 2 Se 3 pyramid. Using the differential scanning calorimetry (DSC), the crystallization mechanism of In x Se 1-x chalcogenide glass has been studied. The glass transition activation energy (E g ) is 289±0.3 kj/mol.There is a correlation amongst the glass forming ability, bond strength and the number of lone pair electrons. The utility of the Gibbs-Di Marzio relation was achieved by estimating T g theoretically.

  13. Magnetic excitation and local magnetic susceptibility of the excitonic insulator Ta2NiSe5 investigated by 77Se NMR

    Science.gov (United States)

    Li, Shang; Kawai, Shunsuke; Kobayashi, Yoshiaki; Itoh, Masayuki

    2018-04-01

    77Se NMR measurements were made on polycrystalline and single-crystalline samples to elucidate local magnetic susceptibility and magnetic excitation of Ta2NiSe5 , which is proposed to undergo an exciton condensation accompanied by a structural transition at Tc=328 K . We determine the 77Se Knight shift tensors for the three Se sites and analyze their anisotropy based on the site symmetry. The temperature dependence of the Knight shift is discussed on the basis of spin and orbital susceptibilities calculated for two-chain and two-dimensional three-band models. The large fraction of the Se 4 p orbital polarization due to the mixing between Ni 3 d and Se 4 p orbitals is estimated from the analysis of the transferred hyperfine coupling constant. Also the nuclear spin-lattice relaxation rate 1 /T1 is found not to show a coherent peak just below Tc and to obey the thermally activated temperature dependence with a spin gap energy of 1770 ±40 K . This behavior of 1 /T1 monitors the exciton condensation as proposed by the theoretical study of 1 /T1 based on the three-chain Hubbard model for the excitonic insulator.

  14. Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study.

    Science.gov (United States)

    Bouzid, Assil; Le Roux, Sébastien; Ori, Guido; Boero, Mauro; Massobrio, Carlo

    2015-07-21

    First-principles molecular dynamics simulations based on density functional theory are employed for a comparative study of structural and bonding properties of two stoichiometrically identical chalcogenide glasses, GeSe4 and GeS4. Two periodic cells of 120 and 480 atoms are adopted. Both glasses feature a coexistence of Ge-centered tetrahedra and Se(S) homopolar connections. Results obtained for N = 480 indicate substantial differences at the level of the Se(S) environment, since Ge-Se-Se connections are more frequent than the corresponding Ge-S-S ones. The presence of a more prominent first sharp diffraction peak in the total neutron structure factor of glassy GeS4 is rationalized in terms of a higher number of large size rings, accounting for extended Ge-Se correlations. Both the electronic density of states and appropriate electronic localization tools provide evidence of a higher ionic character of Ge-S bonds when compared to Ge-Se bonds. An interesting byproduct of these investigations is the occurrence of discernible size effects that affect structural motifs involving next nearest neighbor distances, when 120 or 480 atoms are used.

  15. Alternative syntheses of [73,75Se]selenoethers exemplified for homocysteine[73,75Se]selenolactone

    International Nuclear Information System (INIS)

    Ermert, J.; Blum, T.; Hamacher, K.; Coenen, H.H.

    2001-01-01

    The present work describes two radiosynthetic pathways to prepare homocysteine[ 75 Se]selenolactone 1 starting from n.c.a. [ 75 Se]selenite 2. It was achieved either by alkylation reaction of n.c.a. methyl[ 75 Se]selenide 4 or by hydrolysis of alkylated 1,3-dicyclohexyl[ 75 Se]selenourea 11. N.c.a. methyl[ 75 Se]selenide 4 is available using sulfur as non-isotopic carrier. However, the radiochemical yield of the substitution of 2-tert.-butoxycarbonylamino-4-bromobutyric acid ethylester 5 with n.c.a. methyl-[ 75 Se]selenide is only in the range of 15%-20%. Birch reduction of protected n.c.a. [ 75 Se]selenomethionine 6 formed leads to a RCY of 5%-10% homocysteine[ 75 Se]selenolactone 1. Alternatively, the synthesis of homocysteine[ 75 Se]selenolactone 1 is possible by hydrolysis of the corresponding [ 75 Se]selenouronium salt 11 available by addition of 2-tert.-butoxycarbonylamino-4-bromobutyric acid ethylester 5 to 1,3-dicyclohexyl[ 75 Se]selenourea 10. A method was developed for the synthesis of 1,3-dicyclohexyl[ 75 Se]selenourea 10 by addition of c.a. [ 75 Se]SeH 2 to 1,3-dicyclohexylcarbodiimide, which leads to 20%-30% RCY of c.a. homocysteine[ 75 Se]selenolactone 1. (orig.)

  16. Effect of double-layer application on dentin bond durability of one-step self-etch adhesives.

    Science.gov (United States)

    Taschner, M; Kümmerling, M; Lohbauer, U; Breschi, L; Petschelt, A; Frankenberger, R

    2014-01-01

    The aim of this in vitro study was 1) to analyze the influence of a double-layer application technique of four one-step self-etch adhesive systems on dentin and 2) to determine its effect on the stability of the adhesive interfaces stored under different conditions. Four different one-step self-etch adhesives were selected for the study (iBondSE, Clearfil S(3) Bond, XenoV(+), and Scotchbond Universal). Adhesives were applied according to manufacturers' instructions or with a double-layer application technique (without light curing of the first layer). After bonding, resin-dentin specimens were sectioned for microtensile bond strength testing in accordance with the nontrimming technique and divided into 3 subgroups of storage: a) 24 hours (immediate bond strength, T0), b) six months (T6) in artificial saliva at 37°C, or c) five hours in 10 % NaOCl at room temperature. After storage, specimens were stressed to failure. Fracture mode was assessed under a light microscope. At T0, iBond SE showed a significant increase in microtensile bond strength when the double-application technique was applied. All adhesive systems showed reduced bond strengths after six months of storage in artificial saliva and after storage in 10% NaOCl for five hours; however at T6, iBond SE, Clearfil S(3) Bond, and XenoV(+) showed significantly higher microtensile bond strength results for the double-application technique compared with the single-application technique. Scotchbond Universal showed no difference between single- or double-application, irrespective of the storage conditions. The results of this study show that improvements in bond strength of one-step self-etch adhesives by using the double-application technique are adhesive dependent.

  17. Luminescence spectra of CdSe/ZnSe double layers of quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Reznitsky, Alexander; Permogorov, Sergei; Korenev, Vladimir V.; Sedova, Irina; Sorokin, Sergey; Sitnikova, Alla; Ivanov, Sergei [A.F. Ioffe Physico-Technical Institute, Polytekhnicheskaya 26, 194021 St. Petersburg (Russian Federation); Klochikhin, Albert [B.P. Konstantinov Nuclear Physics Institute, St. Petersburg (Russian Federation)

    2009-12-15

    We have studied the emission spectra and structural properties of double CdSe/ZnSe quantum dot (QD) sheet structures grown by molecular beam epitaxy in order to elucidate the mechanisms of the electronic and strain field interaction between the QD planes. The thickness of the ZnSe barrier separating the CdSe sheets was in the range of 10-60 monolayers (ML) in the set of samples studied. We have found that coupling between dots in adjacent layers becomes relatively strong in CdSe/ZnSe double layers structures with 25-27 ML barrier, while it is rather weak when the barrier thickness exceeds 30 ML. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. SeO{sub 2} adsorption on CaO surface: DFT study on the adsorption of a single SeO{sub 2} molecule

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Yaming; Zhuo, Yuqun; Lou, Yu; Zhu, Zhenwu [Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing 100084 (China); Li, Liangliang [Key Laboratory of Advanced Materials, Department of Material Science and Engineering, Tsinghua University, Beijing 100084 (China)

    2017-08-15

    Highlights: • Adsorption mechanisms of SeO{sub 2} on CaO surface under O{sub 2} were firstly studied by DFT. • The adsorption energies, bond length and electron density maps were calculated. • The electronic structure changes upon adsorption were studied. - Abstract: Selenium is a hazardous element in coal. During coal combustion, most of the selenium will convert to SeO{sub 2} in the flue gas. Ca-based adsorbents, especially CaO, have been considered as a potential sorbent to adsorb SeO{sub 2} due to its low cost. In this paper, the adsorption mechanisms of single SeO{sub 2} on CaO surface were investigated by density functional theory (DFT) calculation. Both the physisorption and chemisorption structures were determined. It has been identified that the adsorption of SeO{sub 2} on CaO surface is primarily chemisorption, while physisorption takes effects at the initial stage of the process. Under O{sub 2} atmosphere, selenate is hard to form. Most of the adsorption products are selenite. Additionally, the electron density maps were obtained to reveal the surface active sites. The partial density of states (PDOS) was calculated for analyzing the electronic structural change of SeO{sub 2} and CaO surface during adsorption. The results provide fundamental information of the adsorption process, which could be meaningful for the development of new absorbents.

  19. Facile, one-step controlled synthesis of Se nanocrystals in the presence of L-tyrosine

    International Nuclear Information System (INIS)

    Wang Xiufang; Zhang Weiqiang; Shen Yuhua; Xie Anjian; Huang Lachun

    2011-01-01

    Highlights: → Se was synthesized via a novel and facile pathway. → The morphologies and the crystalline phases of Se can be easily controlled. → Tyrosine is excellent reducing agent and soft template for the synthesis of Se. → It is possible to provide an excellent route to obtain nanomaterials. - Abstract: Se with different morphologies was synthesized using L-tyrosine as reducing agent and soft template by means of hydrothermal method. The method was simple and convenient to handle. The reaction process was monitored using ultraviolet-visible spectroscopy (UV-vis) and Fourier-transform infrared spectroscopy (FTIR). The morphology and crystalline phase were determined by transmission electron microscopy (TEM), scanning electronic microscopy (SEM) and X-ray diffraction (XRD) pattern. The results show that the morphologies and the crystalline phases of Se can be easily controlled. By varying the concentration ratio of L-tyrosine to selenious acid, the morphologies and crystalline phases of Se were not changed, but the diameter of Se was different. Se nano-rods are obtained in the lower temperature, and there is a transformation of microspheres into nanorods of Se with the increase of reaction time or reaction temperature. In addition, we discuss the possible mechanism of the reduction of SeO 3 2- ions by L-tyrosine. The eco-friendly, biogenic synthesis strategy could be widely used for preparing inorganic/organic biocomposites.

  20. New quaternary alkali metal cadmium selenites, A2Cd(SeO3)2 (A = K, Rb, and Cs) and Li2Cd3(SeO3)4

    Science.gov (United States)

    Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min

    2017-12-01

    A series of new alkali metal cadmium selenites, A2Cd(SeO3)2 (A = K, Rb, and Cs) and Li2Cd3(SeO3)4 have been synthesized in phase pure forms through hydrothermal and solid-state reactions. Structural analyses using single crystal X-ray diffraction indicate that while A2Cd(SeO3)2 and Li2Cd3(SeO3)4 reveal layered structures consisting of CdO6 and SeO3 polyhedra, their symmetry, bonding modes, and the orientation of lone pairs on Se4+ cations are different. A closer examination suggests that the observed structural variations found in the reported materials are attributed to the structure-directing effect of alkali metal cations with different sizes. Scanning electron microscopy/energy dispersive analysis by X-ray, thermogravimetric analysis, Infrared and UV-vis diffuse reflectance spectroscopy, transformation reactions under hydrothermal conditions, and local dipole moment calculations for the reported materials are also reported.

  1. Ultrafast one-step combustion synthesis and thermoelectric properties of In-doped Cu{sub 2}SnSe{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yuyang [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); University of Chinese Academy of Sciences, Beijing, 100049 (China); Liu, Guanghua, E-mail: liugh02@163.com [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); Li, Jiangtao, E-mail: lijiangtao@mail.ipc.ac.cn [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); Chen, Kexin [State Key Laboratory of New Ceramics & Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China); He, Gang; Yang, Zengchao; Han, Yemao; Zhou, Min; Li, Laifeng [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China)

    2016-07-01

    Bulk In-doped Cu{sub 2}SnSe{sub 3} samples were prepared by a fast and one-step method of high-gravity combustion synthesis. All the synthesized samples were dense with relative densities of >98%. The influence of Indium-doping on the phase composition of the samples was investigated. SEM and EDS measurements confirm the existence of SnSe and Cu{sub 2}Se as secondary phase in the Cu{sub 2}Sn{sub 1−x}In{sub x}Se{sub 3} samples. In addition, the experimental results show that there is a solubility limit of indium in the Cu{sub 2}SnSe{sub 3} matrix. The thermoelectric properties of the samples were measured in a temperature range from 323 K to 773 K, and the Cu{sub 2}Sn{sub 0.8}In{sub 0.2}Se{sub 3} sample achieved a maximum ZT of 0.65 at 773 K, which was comparable with the best-reported result for Cu{sub 2}SnSe{sub 3} materials prepared by conventional sintering approaches. With much reduced time and energy consumption, high-gravity combustion synthesis may offer a more efficient and economical way for producing thermoelectric materials. - Highlights: • Dense bulk Cu{sub 2}SnSe{sub 3} materials are prepared by one-step combustion synthesis. • The solubility limit of Indium into the Cu{sub 2}SnSe{sub 3} matrix has been discussed. • A maximum ZT of 0.65 is obtained for the Cu{sub 2}Sn{sub 1−x}In{sub x}Se{sub 3} (x = 0.2) at 773 K.

  2. SE debt restructuring plan

    International Nuclear Information System (INIS)

    Janoska, J.

    2003-01-01

    Slovenske elektrarne, a.s. (SE) plans to restructure one's own debts in 2003-2005. Debt restructuring plan is following: 2003: Collection of pre-payment on electricity - 60 million Euro (2.5 billion Slovak crowns), consumer unknown. Own promissory notes in total value of 100 million US$ (3.5 billion Slovak crowns) - in process. Sale of claims worth 2.4 billion Slovak crowns (57.21 million Euro) - negotiations in process. 2003/2004: Restructuring of loans payable IV. quarter 2003 and at the beginning of 2004 in value of 200 million Euro (8.3 billion Slovak crowns). Aim of SE is a new credit payable within 7 years, with instalments payable in the last two to three without any state subsidies. 2005: Loans worth 460 million Euro (189 billion Slovak crowns) will still remain. SE want to negotiate them with banks without state support

  3. Layer-by-layer assembled composite films of side-functionalized poly(3-hexylthiophene) and CdSe nanocrystals: electrochemical, spectroelectrochemical and photovoltaic properties

    NARCIS (Netherlands)

    de Girolamo, Julia; Reiss, Peter; Zagorska, Malgorzata; de Bettignies, Remi; Bailly, Severine; Mevellec, Jean-Yves; Lefrant, Serge; Travers, Jean-Pierre; Pron, Adam

    2008-01-01

    Regioregular poly(3-hexylthiophene) containing one diaminopyrimidine side group per ten repeat units (P3HT-co-P3(ODAP)HT) can form molecular composites with 1-(6-mercaptohexyl)thymine capped CdSe nanocrystals (CdSe(MHT)) via hydrogen bonds directed molecular recognition. Here we report complementary

  4. Role of lattice inhomogeneities on the electronic properties of selenium deficient Bi2Se3

    Science.gov (United States)

    Tayal, Akhil; Kumar, Devendra; Lakhani, Archana

    2017-11-01

    Inter-layer coupling is widely considered to play a crucial role in tuning electronic properties of 3D topological insulators. The aim of this study is to evaluate the role of crystallographic defects on inter-layer coupling in the Se deficient Bi2Se3 (0 0 3) crystal using extended x-ray absorption fine structure spectroscopy (EXAFS) technique. EXAFS measurements at Se-K and Bi-L3 edges reveal distinct local geometry around these atomic sites. It has been observed that short inter-layer Bi-Se and Se-Se bonds emerge in the sample. This additional structural motif coexists with the conventional crystallographic arrangement. Within the quintuple layer Bi-Se bonds are preserved with slight compression in intra-planer Bi-Bi and Se-Se distance and overall reduction in c/a ratio. These findings suggest formation of deformed lattice region, localized and dispersed inhomogeneously within the sample. Such inhomogeneities have also resulted in interesting transport properties such as quantum Hall effect (QHE), large linear magnetoresistance and π-Berry phase in Shubnikov-de Haas (SdH) oscillations of bulk crystals. Detailed analyses of magnetotransport measurements suggest that tuning of inter-layer coupling by local lattice deformation is the key factor for unusual transport properties. Role of axial strain, and stacking faults generated due to defects and charged Se vacancies are discussed to understand the observed electronic properties.

  5. Enhancement of hole mobility in InSe monolayer via an InSe and black phosphorus heterostructure.

    Science.gov (United States)

    Ding, Yi-Min; Shi, Jun-Jie; Xia, Congxin; Zhang, Min; Du, Juan; Huang, Pu; Wu, Meng; Wang, Hui; Cen, Yu-Lang; Pan, Shu-Hang

    2017-10-05

    To enhance the low hole mobility (∼40 cm 2 V -1 s -1 ) of InSe monolayer, a novel two-dimensional (2D) van der Waals heterostructure made of InSe and black phosphorus (BP) monolayers with high hole mobility (∼10 3 cm 2 V -1 s -1 ) has been constructed and its structural and electronic properties are investigated using first-principles calculations. We find that the InSe/BP heterostructure exhibits a direct band gap of 1.39 eV and type-II band alignment with electrons (holes) located in the InSe (BP) layer. The band offsets of InSe and BP are 0.78 eV for the conduction band minimum and 0.86 eV for the valence band maximum, respectively. Surprisingly, the hole mobility in the InSe/BP heterostructure exceeds 10 4 cm 2 V -1 s -1 , which is one order of magnitude larger than the hole mobility of BP and three orders larger than that of the InSe monolayer. The electron mobility is also increased to 3 × 10 3 cm 2 V -1 s -1 . The physical reason has been analyzed deeply, and a universal method is proposed to improve the carrier mobility of 2D materials by forming heterostructures with them and other 2D materials with complementary properties. The InSe/BP heterostructure can thus be widely used in nanoscale InSe-based field-effect transistors, photodetectors and photovoltaic devices due to its type-II band alignment and high carrier mobility.

  6. Contrastive thermoelectric properties of strained SnSe crystals from the first-principles calculations

    Science.gov (United States)

    Tang, Yu; Cheng, Feng; Li, Decong; Deng, Shuping; Chen, Zhong; Sun, Luqi; Liu, Wenting; Shen, Lanxian; Deng, Shukang

    2018-06-01

    SnSe is a promising thermoelectric material with a record high dimensionless figure of merit ZT at high temperature ∼923 K. However, the ZT values for low-Temperature Pnma phase SnSe are just 0.1-0.9. Here, we use First-principle combine with Boltzmann transport theory methods to study the effect of tensile and compressible strain on the thermoelectric transport properties. The power factor of SnSe with -4% strain have a large boost along b and c directions of 7.7 and 3.9 μW cm-1 K-2, respectively, which are 2.5 and 2 times as large as those pristine SnSe. The charge density distributions reveal that the overlap of wave function has significant change due to the changed bond lengths and bond angles under different strain, which lead to the change of band gap and band dispersion. Our work provides a new effective strategy to enhance the thermoelectric properties of materials.

  7. Refinement of hydrogen positions in (NH4)2SeO4

    International Nuclear Information System (INIS)

    Loose, A.; Mel'nik, G.; Zink, N.; Wozniak, K.; Dominiak, P.; Smirnov, L.S.; Pawlukojc, A.; Shuvalov, L.A.

    2005-01-01

    The crystal structure of ammonium selenate has been studied by means of single crystal X-ray and neutron diffraction with the purpose of the refinement of hydrogen positions. The refined hydrogen positions obtained by single crystal neutron diffraction show that N-H bond lengths form a regular tetrahedron in an ammonium ion. The single crystal X-ray diffraction data show that N-H bond lengths are shorter than those obtained by neutron diffraction and are not equal between themselves. Thus, the comparison of the results of X-ray and neutron diffraction allows one to suggest that the shorter N-H bond lengths by X-ray diffraction reflect the distribution of the electron charge density of ammonium ions within the (NH 4 ) 2 SeO 4 crystal lattice

  8. 79Se: geochemical and crystallo-chemical retardation mechanisms

    International Nuclear Information System (INIS)

    Chen, F.; Ewing, R.C.

    1999-01-01

    79 Se is a long-lived (1.1 x 10 6 yrs) fission product which is chemically and radiologically toxic. Under Eh-pH conditions typical of oxidative alteration of spent nuclear fuel, selenite, SeO 3 2- or HSeO 3 - or selenate, SeO 4 2- , are the dominant aqueous species of selenium. Because of the high solubility of metal-selenites and metal-selenates and the low adsorption of selenite and selenate aqueous species by geological materials under alkaline conditions, selenium may be highly mobile. However, 79 Se released from altered fuel may become immobilized by incorporation into secondary uranyl phases as low concentration impurities, and this may significantly reduce the mobility of selenium. Analysis and comparison of the known structures of uranyl phases indicate that (SeO 3 ) may substitute for (SiO 3 OH) in structures of α-uranophane and boltwoodite that are expected to be the dominant alteration products of UO 2 in Si-rich groundwater. The substitutions (SeO 3 ) (SiO 3 OH) in sklodowskite, Mg[(UO 2 )(SiO 3 OH)] 2 (H 2 O) 6 and (SeO 3 ) (PO 4 ) in phurcalite, Ca 2 [(UO 2 ) 3 (PO 4 ) 2 O 2 ](H 2 O) 7 , may occur with the eliminated apical anion being substituted for by an H 2 O group, but experimental investigation is required. The close similarity between the sheets in the structures of rutherfordine, [(UO 2 )(CO 3 )] and [(UO 2 )(SeO 3 )] implies that the substitution (SeO 3 ) (CO 3 ) can occur in rutherfordine, and possibly other uranyl carbonates. However, the substitutions: (SeO 3 ) (SiO 4 ) in soddyite and (SeO 3 ) (PO 4 ) in phosphuranylite may disrupt their structural connectivity and are, therefore, unlikely. (orig.)

  9. Ab-initio study of pure sup 7 sup 7 Se and sup 1 sup 2 sup 5 Te systems and of the sup 7 sup 7 Se nuclear quadrupole interaction in tellurium

    CERN Document Server

    Oh, Y K; Cho, H S

    1999-01-01

    Using the Hartree-Fock cluster procedure, we have studied the electric-field gradient tensors at the nuclear sites of sup 7 sup 7 Se and sup 1 sup 2 sup 5 Te in pure sup 1 sup 2 sup 5 Te systems and in tellurium crystalline system's with a sup 7 sup 7 Se impurity. From the results for the pure systems, sup 7 sup 7 Se in selenium and sup 1 sup 2 sup 5 Te in tellurium, using the observed quadrupole moments: Q( sup 7 sup 7 Se) 0.75 +- 0.07 barns and Q( sup 1 sup 2 sup 5 Te) = 0.35 +- 0.04 barns. Comparison is made with earlier values obtained by different methods. Using our calculated values of Q and the results of a study of the field-gradient tensors for sup 7 sup 7 Se in tellurium, the theoretical values of the quadrupole coupling constants are found to agree, within about 7 percent, with experiment. The calculated asymmetry parameters are also found to be in reasonable agreement with the experiment values, although the agreement not as close as in the case of the quadrupole -coupling constants. Directions fo...

  10. One-pot synthesis of stable water soluble Mn:ZnSe/ZnS core/shell quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Hao; Gao Xue; Liu Siyu; Su Xingguang, E-mail: suxg@jlu.edu.cn [College of Chemistry, Jilin University, Department of Analytical Chemistry (China)

    2013-06-15

    In this paper, Mn:ZnSe/ZnS core/shell-doped quantum dots (d-dots) with 3-mercaptopropionic acid as the stabilizer are successfully synthesized through a simple one-pot synthesis procedure in aqueous solution. The average diameter of Mn:ZnSe/ZnS core/shell d-dots is about 2.9 nm, which is lager than that of Mn:ZnSe cores (about 1.9 nm). The optical features and structure of the obtained Mn:ZnSe/ZnS core/shell quantum dots have been characterized by UV-Vis and fluorescence spectroscopy, X-ray diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy. The photostability against UV irradiation and chemical stability against H{sub 2}O{sub 2} etching have been studied, and the results showed that the prepared Mn:ZnSe/ZnS core/shell d-dots are more stable than CdTe quantum dots prepared in aqueous solution. Finally, the resulting core/shell quantum dots are used as fluorescent label in human osteoblast-like HepG2 cell imaging.

  11. La lectura en el aula. Qué se hace, qué se debe hacer y qué se puede hacer

    OpenAIRE

    Pablo Lorente Muñoz

    2011-01-01

    Emilio Sánchez Miguel (Coord.). La lectura en el aula. Qué se hace, qué se debe hacer y qué se puede hacer. Graó, col. Crítica y Fundamentos, 27. Barcelona, 2010. 382 págs. ISBN: 978-84-7827-892-3

  12. SE-VYZ

    International Nuclear Information System (INIS)

    Anon

    2004-01-01

    On this CD compact disc 6 video-films (A-1 NPP; Bituminization; Cementation; Pressing; The Interim spent fuel storage facility; Transport into the National radioactive waste repository Mochovce; Ignition; and Vitrification). In these films process of radioactive waste treatment in the Bohunice Radioactive Waste Processing Center (SE-VYZ) is presented. 2 presentations about radioactive wastes treatment in the SE-VYZ are included

  13. Speciation of Se and DOC in soil solution and their relation to Se bioavailability.

    Science.gov (United States)

    Weng, Liping; Vega, Flora Alonso; Supriatin, Supriatin; Bussink, Wim; Van Riemsdijk, Willem H

    2011-01-01

    A 0.01 M CaCl(2) extraction is often used to asses the bioavailability of plant nutrients in soils. However, almost no correlation was found between selenium (Se) in the soil extraction and Se content in grass. The recently developed anion Donnan membrane technique was used to analyze chemical speciation of Se in the 0.01 M CaCl(2) extractions of grassland soils and fractionation of DOC (dissolved organic carbon). The results show that most of Se (67-86%) in the extractions (15 samples) are colloidal-sized Se. Only 13-34% of extractable Se are selenate, selenite and small organic Se (<1 nm). Colloidal Se is, most likely, Se bound to or incorporated in colloidal-sized organic matter. The dominant form of small Se compounds (selenate, selenite/small organic compounds) depends on soil. A total of 47-85% of DOC is colloidal-sized and 15-53% are small organic molecules (<1 nm). In combination with soluble S (sulfur) and/or P (phosphor), concentration of small DOC can explain most of the variability of Se content in grass. The results indicate that mineralization of organic Se is the most important factor that controls Se availability in soils. Competition with sulfate and phosphate needs to be taken into account. Further research is needed to verify if concentration of small DOC is a good indicator of mineralization of soil organic matter.

  14. Influence of hydrostatic pulpal pressure on the microtensile bond strength of all-in-one self-etching adhesives.

    Science.gov (United States)

    Hosaka, Keiichi; Nakajima, Masatoshi; Monticelli, Francesca; Carrilho, Marcela; Yamauti, Monica; Aksornmuang, Juthatip; Nishitani, Yoshihiro; Tay, Franklin R; Pashley, David H; Tagami, Junji

    2007-10-01

    To evaluate the microtensile bond strength (microTBS) of two all-in-one self-etching adhesive systems and two self-etching adhesives with and without simulated hydrostatic pulpal pressure (PP). Flat coronal dentin surfaces of extracted human molars were prepared. Two all-in-one self-etching adhesive systems, One-Up Bond F (OBF; Tokuyama) and Clearfil S3 Bond (Tri-S, Kuraray Medical) and two self-etching primer adhesives, Clearfil Protect Bond (PB; Kuraray) and Clearfil SE Bond (SE; Kuraray) were applied to the dentin surfaces according to manufacturers' instructions under either a pulpal pressure (PP) of zero or 15 cm H2O. A hybrid resin composite (Clearfil AP-X, Kuraray) was used for the coronal buildup. Specimens bonded under PP were stored in water at 37 degrees C under 15 cm H2O for 24 h. Specimens not bonded under PP were stored under a PP of zero. After storage, the bonded specimens were sectioned into slabs that were trimmed to hourglass-shaped specimens, and were subjected to microtensile bond testing (microTBS). The bond strength data were statistically analyzed using two-way ANOVA and the Holm-Sidak method for multiple comparison tests (alpha = 0.05). The surface area percentage of different failure modes for each material was also statistically analyzed with three one-way ANOVAs and Tukey's multiple comparison tests. The microTBS of OBF and Tri-S fell significantly under PP. However, in the, PB and SE bonded specimens under PP, there were no significant differences compared with the control groups without PP. The microTBS of the two all-in-one adhesive systems decreased when PP was applied. However, the microTBS of both self-etching primer adhesives did not decrease under PP.

  15. Transition probabilities in neutron-rich Se,8684

    Science.gov (United States)

    Litzinger, J.; Blazhev, A.; Dewald, A.; Didierjean, F.; Duchêne, G.; Fransen, C.; Lozeva, R.; Sieja, K.; Verney, D.; de Angelis, G.; Bazzacco, D.; Birkenbach, B.; Bottoni, S.; Bracco, A.; Braunroth, T.; Cederwall, B.; Corradi, L.; Crespi, F. C. L.; Désesquelles, P.; Eberth, J.; Ellinger, E.; Farnea, E.; Fioretto, E.; Gernhäuser, R.; Goasduff, A.; Görgen, A.; Gottardo, A.; Grebosz, J.; Hackstein, M.; Hess, H.; Ibrahim, F.; Jolie, J.; Jungclaus, A.; Kolos, K.; Korten, W.; Leoni, S.; Lunardi, S.; Maj, A.; Menegazzo, R.; Mengoni, D.; Michelagnoli, C.; Mijatovic, T.; Million, B.; Möller, O.; Modamio, V.; Montagnoli, G.; Montanari, D.; Morales, A. I.; Napoli, D. R.; Niikura, M.; Pollarolo, G.; Pullia, A.; Quintana, B.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Scarlassara, F.; Söderström, P.-A.; Stefanini, A. M.; Stezowski, O.; Szilner, S.; Theisen, Ch.; Valiente Dobón, J. J.; Vandone, V.; Vogt, A.

    2015-12-01

    Reduced quadrupole transition probabilities for low-lying transitions in neutron-rich Se,8684 are investigated with a recoil distance Doppler shift (RDDS) experiment. The experiment was performed at the Istituto Nazionale di Fisica Nucleare (INFN) Laboratori Nazionali di Legnaro using the Cologne Plunger device for the RDDS technique and the AGATA Demonstrator array for the γ -ray detection coupled to the PRISMA magnetic spectrometer for an event-by-event particle identification. In 86Se the level lifetime of the yrast 21+ state and an upper limit for the lifetime of the 41+ state are determined for the first time. The results of 86Se are in agreement with previously reported predictions of large-scale shell-model calculations using Ni78-I and Ni78-II effective interactions. In addition, intrinsic shape parameters of lowest yrast states in 86Se are calculated. In semimagic 84Se level lifetimes of the yrast 41+ and 61+ states are determined for the first time. Large-scale shell-model calculations using effective interactions Ni78-II, JUN45, jj4b, and jj4pna are performed. The calculations describe B (E 2 ;21+→01+) and B (E 2 ;61+→41+) fairly well and point out problems in reproducing the experimental B (E 2 ;41+→21+) .

  16. Excitons, biexcitons, and phonons in ultrathin CdSe/ZnSe quantum structures

    DEFF Research Database (Denmark)

    Gindele, F.; Woggon, Ulrike; Langbein, Wolfgang Werner

    1999-01-01

    The optical properties of CdSe nanostructures grown by migration-enhanced epitaxy of CdSe on ZnSe are studied by time-, energy-, and temperature-dependent photoluminescence and excitation spectroscopy, as well as by polarization-dependent four-wave mixing and two-photon absorption experiments...

  17. Selective Se-for-S substitution in Cs-bearing uranyl compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gurzhiy, Vladislav V., E-mail: vladgeo17@mail.ru [Department of Crystallography, St. Petersburg State University, University Emb. 7/9, 199034 St. Petersburg, Russia Federation (Russian Federation); Tyumentseva, Olga S.; Krivovichev, Sergey V. [Department of Crystallography, St. Petersburg State University, University Emb. 7/9, 199034 St. Petersburg, Russia Federation (Russian Federation); Tananaev, Ivan G. [Far Eastern Federal University, Suhanova st. 8, Vladivostok 690950 (Russian Federation)

    2017-04-15

    Phase formation in the mixed sulfate-selenate aqueous system of uranyl nitrate and cesium nitrate has been investigated. Two types of crystalline compounds have been obtained and characterized using a number of experimental (single crystal XRD, FTIR, SEM) and theoretical (information-based complexity calculations, topological analysis) techniques. No miscibility gaps have been observed for Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se), which crystallizes in tetragonal system, P-42{sub 1}m, a =9.616(1)–9.856(2), c =8.105(1)–8.159(1) Å, V =749.6(2)–792.5(3) Å{sup 3}. Nine phases with variable amount of S and Se have been structurally characterized. The structures of the Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se) compounds are based upon the [(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}]{sup 2-} layers of corner-sharing uranyl pentagonal bipyramids and TO{sub 4} tetrahedra. The layers contain two types of tetrahedral sites: T1 (3-connected, i.e. having three O atoms shared by adjacent uranyl polyhedra) and T2 (4-connected). The Se-for-S substitution in tetrahedral sites is highly selective with smaller S{sup 6+} cation showing a strong preference for the more tightly bonded T2 site. Crystallization in the pure Se system starts with the formation of Cs{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}O) crystals, its subsequent dissolution and formation of Cs{sub 2}[(UO{sub 2}){sub 2}(SeO{sub 4}){sub 3}]. The information-based structural complexity calculations for these two phases support the rule that more topologically complex structures form at the latest stages of crystallization. - Graphical abstract: Nine phases representing the Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se) solid solution series with variable amount of S and Se have been prepared by isothermal evaporation from aqueous solutions and characterized using a number of experimental and theoretical techniques. No immiscibility is observed between the

  18. After four months new privatisation committee in SE

    International Nuclear Information System (INIS)

    Janoska, J.

    2003-01-01

    In spite of a delay the Minister of Economy of the Slovak Republic wants to meet the schedule set by Government. In middle of September 2002 six prospect submitted their tender offers for entering Slovenske elektrarne (SE), a.s, Bratislava. Representative of privatisation advisor of SE, PricewaterhouseCoopers, Peter Mitka told TREND that he was in contact with the investors but they were waiting for a signal from official authorities about the current state of the tender. And they have been waiting for four months. Only last week a new privatisation commission started dealing with the offers. In spite of these facts Minister of Economy, Robert Nemcsics does not consider the process slow and said that the Ministry would use all its efforts to adhere to the original privatisation schedule prepared by the former government. He further added that everything would depend on the offers submitted. Investors are not interest in SE as a whole but only in its parts. Several members of the committee do not agree with the privatisation and restructuring principles set by the government including a split of SE to conventional and nuclear parts. One of the opponents is the former manager of SE Tibor Mikus (HZDS) - representative of the Parliament or Vladimir Mojs representative of Slovak Energeticists Unions. This put a brake on the tender and changes in the management of SE as well. Privatisation Agency FNM still has not decided upon calling a Extraordinary General Meeting of SE that would elect new bodies. Spokeswoman of FNM, Tatjana Lesajova claims that the Fund is still missing a legal analysis that would review the possibility of changing SE's Articles of Association so that the Board of Directors could be assigned based on a tender (proposal of the Ministry). Members of SE Privatisation Committee: Eva Simkova - Secretary of State, Ministry of Economy SR; Laszlo Pomothy - Secretary of State, Ministry of Economy SR; Henrich Herceg - Advisor to the Minister of Economy SR

  19. Cs2UPd3Se6

    Directory of Open Access Journals (Sweden)

    George N. Oh

    2011-02-01

    Full Text Available Dicaesium uranium(IV tripalladium(II hexaselenide, Cs2UPd3Se6, crystallizes in the space group Fmmm in the Ba2NaCu3O6 structure type. The asymmetric unit comprises the following atoms with site symmetries as shown: U1 (mm2, Cs1 (222, Cs2 (m2m, Pd1 (.m., Pd2 (2mm, Se1 (m.., and Se2 (1. This layered structure contains six edge-sharing square-planar [PdSe4] units that form a hexagon. These, in turn, edge-share with [USe6] trigonal–prismatic units, forming an extended layer parallel to (010. The layers are stacked along [010]. They are staggered, and are separated by the Cs atoms. The Cs atoms are either coordinated in a square antiprism of Se atoms or are ten-coordinate, with one square face and the opposite face hexagonal.

  20. C-type Nd2Se3

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available The title compound, neodymium sesquiselenide, is isotypic with the other known rare-earth metal(III selenides M2Se3 (M = La–Pr and Sm–Lu with the cubic C-type structure. It adopts a cation-defective Th3P4-type arrangement with close to 8/9 of the unique neodymium-cation site occupied, leading to the composition Nd2.667Se4 (Z = 4 or Nd2Se3 (Z = 5.333, respectively. The Nd3+ cations are thus surrounded by eight selenide anions, forming trigonal [NdSe8]13− dodecahedra, whereas the Se2− anions exhibit a sixfold coordination, but due to the under-occupation of neodymium, each one is statistically surrounded by only 5.333 cations. The crystal studied was a merohedral twin with a 0.31 (6:0.69 (6 domain ratio.

  1. Bond strength of one-step self-etch adhesives and their predecessors to ground versus unground enamel.

    Science.gov (United States)

    Yazici, A Ruya; Yildirim, Zeren; Ertan, Atila; Ozgunaltay, Gül; Dayangac, Berrin; Antonson, Sibel A; Antonson, Donald E

    2012-07-01

    The aim of this study was to compare the shear bond strength of several self-etch adhesives to their two-step predecessors to ground and unground enamel. Seventy-five extracted, non-carious human third molar teeth were selected for this study. The buccal surfaces of each tooth were mechanically ground to obtain flat enamel surfaces (ground enamel), while the lingual surfaces were left intact (unground enamel). The teeth were randomly divided into five groups according to the adhesive systems (n=15): one-step self-etch adhesive - Clearfil S3 Bond, its two-step predecessor - Clearfil SE Bond, one-step self-etch adhesive - AdheSE One, and its two-step predecessor - AdheSE, and a two-step etch-and-rinse adhesive - Adper Single Bond 2(control). After application of the adhesives to the buccal and lingual enamel surfaces of each tooth, a cylindrical capsule filled with a hybrid composite resin (TPH) was seated against the surfaces. The specimens were stored in distilled water at 37°C for 24 hours, followed by thermocy-cling (5°C-55°C/500 cycles). They were subjected to shear bond strength test in a universal testing machine at a crosshead speed of 1.0 mm/minute. The data were compared using a two-way ANOVA, followed by Bonferroni test at Padhesives exhibited statistically similar bond strengths to ground and unground enamel except for the etch-and-rinse adhesive that showed significantly higher bond strengths than the self-etch adhesives (Padhesives tested (P=.17). Similar bond strengths to ground and unground enamel were achieved with one-step self-etch adhesives and their predecessors. Enamel preparation did not influence the bonding performance of the adhesives tested.

  2. Bond strength of one-step self-etch adhesives and their predecessors to ground versus unground enamel

    Science.gov (United States)

    Yazici, A. Ruya; Yildirim, Zeren; Ertan, Atila; Ozgunaltay, Gül; Dayangac, Berrin; Antonson, Sibel A; Antonson, Donald E

    2012-01-01

    Objective The aim of this study was to compare the shear bond strength of several self-etch adhesives to their two-step predecessors to ground and unground enamel. Methods: Seventy-five extracted, non-carious human third molar teeth were selected for this study. The buccal surfaces of each tooth were mechanically ground to obtain flat enamel surfaces (ground enamel), while the lingual surfaces were left intact (unground enamel). The teeth were randomly divided into five groups according to the adhesive systems (n=15): one-step self-etch adhesive - Clearfil S3 Bond, its two-step predecessor - Clearfil SE Bond, one-step self-etch adhesive - AdheSE One, and its two-step predecessor - AdheSE, and a two-step etch-and-rinse adhesive - Adper Single Bond 2(control). After application of the adhesives to the buccal and lingual enamel surfaces of each tooth, a cylindrical capsule filled with a hybrid composite resin (TPH) was seated against the surfaces. The specimens were stored in distilled water at 37°C for 24 hours, followed by thermocy-cling (5°C–55°C/500 cycles). They were subjected to shear bond strength test in a universal testing machine at a crosshead speed of 1.0 mm/minute. The data were compared using a two-way ANOVA, followed by Bonferroni test at Padhesives exhibited statistically similar bond strengths to ground and unground enamel except for the etch-and-rinse adhesive that showed significantly higher bond strengths than the self-etch adhesives (Penamel for any of the adhesives tested (P=.17). Conclusion: Similar bond strengths to ground and unground enamel were achieved with one-step self-etch adhesives and their predecessors. Enamel preparation did not influence the bonding performance of the adhesives tested. PMID:22904656

  3. Generalized stacking fault energies, cleavage energies, ionicity and brittleness of Cu(Al/Ga/In)Se2 and CuGa(S/Se/Te)2

    Science.gov (United States)

    Xue, H. T.; Tang, F. L.; Gruhn, T.; Lu, W. J.; Wan, F. C.; Rui, Z. Y.; Feng, Y. D.

    2014-04-01

    We calculate the generalized stacking fault (GSF) energies and cleavage energies γcl of the chalcopyrite compounds CuAlSe2, CuGaSe2, CuInSe2, CuGaS2 and CuGaTe2 using first principles. From the GSF energies, we obtain the unstable stacking fault energies γus and intrinsic stacking fault energies γisf. By analyzing γus and γisf, we find that the \\langle \\bar{{1}}\\,1\\,0\\rangle (1 1 2) direction is the easiest slip direction for these five compounds. Also, for CuInSe2, it is most possible to undergo a dislocation-nucleation-induced plastic deformation along the \\langle \\bar{{1}}\\,1\\,0\\rangle (1 1 2) slip direction. We show that the (1 1 2) plane is the preferable plane for fracture in the five compounds by comparing γcl of the (0 0 1) and (1 1 2) planes. It is also found that both γus and γcl decrease as the cationic or anionic radius increases in these chalcopyrites, i.e. along the sequences CuAlSe2 → CuGaSe2 → CuInSe2 and CuGaS2 → CuGaSe2 → CuGaTe2. Based on the values of the ratio γcl/γus, we discuss the brittle-ductile properties of these compounds. All of the compounds can be considered as brittle materials. In addition, a strong relationship between γcl/γus and the total proportion of ionic bonding in these compounds is found.

  4. Facile fabrication of CNTs@C@MoSe2@Se hybrids with amorphous structure for high performance anode in lithium-ion batteries.

    Science.gov (United States)

    Jin, Rencheng; Cui, Yuming; Wang, Qingyao; Li, Guihua

    2017-12-15

    Amorphous MoSe 2 and Se anchored on amorphous carbon coated multiwalled carbon nanotubes (CNTs@C@MoSe 2 @Se) have been synthesized by a facile solvothermal strategy. The one dimensional CNTs@C@MoSe 2 @Se can effectively buffer the volume variation, prohibit the aggregation and facilitate electron and ion transport throughout the electrode. Furthermore, the combination of MoSe 2 and Se also provides buffer spaces for the volumetric change during cycling. Thus, the obtained CNTs@C@MoSe 2 @Se hybrids display the enhanced cycle stability and excellent high rate capacity. The reversible capacity of 1010mAhg -1 can be achieved after 100 cycles at the current density of 0.1Ag -1 . Even after 500 cycles, a reversible capacity of 508mAhg -1 is still retained at 5Ag -1 . Copyright © 2017 Elsevier Inc. All rights reserved.

  5. 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.

  6. Enhanced thermoelectric properties of N-type polycrystalline In4Se3-x compounds via thermally induced Se deficiency

    Science.gov (United States)

    Zhao, Ran; Shu, Yu-Tian; Guo, Fu

    2014-03-01

    In4Se3-x compound is considered as a potential thermoelectric material due to its comparably low thermal conductivity among all existing ones. While most studies investigated In4Se3-x thermoelectric properties by controlling selennium or other dopants concentrations, in the current study, it was found that even for a fixed initial In/Se ratio, the resulting In/Se ratio varied significantly with different thermal processing histories (i.e., melting and annealing), which also resulted in varied thermoelectric properties as well as fracture surface morphologies of In4Se3-x polycrystalline specimens. Single phase polycrystalline In4Se3-x compounds were synthesized by combining a sequence of melting, annealing, pulverizing, and spark plasma sintering. The extension of previous thermal history was observed to significantly improve the electrical conductivity (about 121%) and figure of merit (about 53%) of In4Se3-x polycrystalline compounds. The extended thermal history resulted in the increase of Se deficiency (x) from 0.39 to 0.53. This thermally induced Se deficiency was observed to associate with increasing carrier mobility but decreasing concentration, which differs from the general trend observed for the initially adjusted Se deficiency at room temperature. Unusually large dispersed grains with nanosize layers were observed in specimens with the longest thermal history. The mechanism(s) by which previous thermal processing enhances carrier mobility and affect microstructural evolution are briefly discussed.

  7. Thermoelectric transport of Se-rich Ag2Se in normal phases and phase transitions

    International Nuclear Information System (INIS)

    Mi, Wenlong; Lv, Yanhong; Qiu, Pengfei; Shi, Xun; Chen, Lidong; Zhang, Tiansong

    2014-01-01

    Small amount of Se atoms are used to tune the carrier concentrations (n H ) and electrical transport in Ag 2 Se. Significant enhancements in power factor and thermoelectric figure of merit (zT) are observed in the compositions of Ag 2 Se 1.06 and Ag 2 Se 1.08 . The excessive Se atoms do not change the intrinsically electron-conducting character in Ag 2 Se. The detailed analysis reveals the experiment optimum carrier concentration in Ag 2 Se is around 5 × 10 18  cm −3 . We also investigate the temperature of maximum zT and the thermoelectric transport during the first order phase transitions using the recently developed measurement system

  8. Development of conductive nanotemplates on ZnSe

    International Nuclear Information System (INIS)

    Monaico, Eduard; Tiginyanu, Ion; Colibaba, Gleb; Nedeoglo, D.D.; Cojocaru, Ala; Foell, Helmut

    2011-01-01

    We demonstrate the possibility to fabricate arrays of pores oriented perpendicular and parallel to the top surface of the ZnSe nanotemplate. The control of material conductivity allows one to produce porous ZnSe samples with the mean pore diameter and characteristic skeleton wall thickness from several hundreds of nanometers to about 15 nm. In addition, electrochemical treatment of ZnSe single crystals using photoresist masks allows one to prepare buried porous structures with pores directed parallel to the top template surface, which is especially important for photonic applications.

  9. Photoacoustic spectroscopy of thin films of As2S3, As2Se3 and GeSe2

    Indian Academy of Sciences (India)

    Photoacoustic spectroscopy (PAS) is one of the important branches of spectroscopy, which enables one to detect light-induced heat production following the absorption of pulsed radiation by the sample. As2S3, As2Se3 and GeSe2 exhibit a wide variety of photo-induced phenomena that enable them to be used as optical ...

  10. Contenha-se, se for capaz

    Directory of Open Access Journals (Sweden)

    Mirna Feitoza Pereira

    2008-11-01

    Full Text Available Em O Instinto da Linguagem, Steven Pinker discorre sobre sua célebre tese: a linguagem não é a mais prodigiosa invenção cultural humana. Ela é uma peça da constituição biológica do cérebro. A linguagem é uma habilidade complexa e especializada, que se desenvolve espontaneamente na criança, sem qualquer esforço consciente ou instrução formal, que se manifesta sem que se perceba sua lógica subjacente, que é qualitativamente a mesma em todo indiví­duo, e que difere de capacidades mais gerais de processamento de informações ou de comportamento inteligente. Para Pinker, a concepção de linguagem como um tipo de instinto transmite a idéia de que as pessoas sabem falar mais ou menos da mesma maneira que as aranhas sabem tecer suas teias. Ele apóia suas idéias em Darwin e Chomsky. Palavras-chave linguagem, gramática universal, evolução Abstract In Language Instinct, Steven Pinker argues about his famous thesis: language is not the most prodigious human cultural invention. It is a distinct piece of the biological constitution of the brain. Language is a complex, specialized skill, which develops spontaneously in the child, without conscious effort or formal instruction. It reveals itself without awareness of its underlying logic, which is qualitatively the same in every individual, and which is distinct from more general abilities of information processing of intelligent behavior. According to Pinker, the conception of language as a kind of instinct conveys the idea that people know how to talk in more or less the same way as spiders know how to spin webs. His thesis is founded in Darwin and Chomsky-s theories. Keywords language, universal grammar, evolution

  11. Nuclear spectroscopic study of the 117In and 77Se using angular correlation technique

    International Nuclear Information System (INIS)

    Zamboni, C.B.

    1981-01-01

    The integral pertubed angular correlation technique has been used to measure the g-factor of the 587 KeV(3/2 - ) state in 117 In. The measurements were made in an external magnetic field of 26 Kg. The 1303-273 KeV gamma cascade in 117 In populated from the beta decay of 117 Cd was utilized for the measurement. The result is g(587 KeV) = -0.233+-0.057. The present result shows the 587 KeV state may not be a simple P 3/2 proton hole state but rather a complex admixture of different configurations. The g-factor of the 249 KeV state in 77 Se has also been measured by the time differential pertubed angular correlation (TDPAC) method in an external magnetic field of 25 Kg. The 755-249 KeV gamma cascade in 77 Se populated from the electron capture decay of 57h 77 Br utilized for the measurement. The g-factor is determined to be g(249 KeV) = 0.486 +- 0.009. In addition the half life of the 249 KeV state in 77 Se has also been measured by the delayed gamma-gamma coincidence method utilizing the gamma cascades 572-249 KeV and 750-249 KeV in 77 Se. The resulting value of the half life is T 1/2 (249 KeV) = (9.56 +- 0.10)ns. The experimental results are discussed in terms of nuclear models applicable for nuclei in this mass region. (author) [pt

  12. Information letter 3. Information about operation of plants SE-NPP Bohunice and SE-VYZ during March 2006

    International Nuclear Information System (INIS)

    2006-04-01

    In this leaflet results of exploitation of four units of the Bohunice V-1 and V-2 NPPs are presented. The electricity and heat production in March 2006 are reviewed. Within a March 2006 the electricity was produced: 294.020 GWh (block 1), 287.684 GWh (block 2), 292.636 GWh (block 3), 237.806 GWh (block 4), totally 1112 GWh, and 3330 GWh within a January - March 2005. The heat production in January 2006 was 253 057 GJ, and within a January - March 2006 it was produced 896 226 GJ of heat. Processing and storage of radioactive wastes in Decommissioning of Nuclear Installations and Spent Fuel and Rad-waste Management (SE-VYZ) is presented. Twenty-one pieces of fibre-concrete containers were processed into fibre-concrete containers in Bohunice processing centre of radioactive wastes (BSC RAO) in March 2006. Sixteen fibre-concrete containers were stored into Republic storage of radioactive wastes (RU RAO). Total number in RU RAO reached 1080 pieces of fibre-concrete containers, which represent 15.00 per cent of storage capacity (7200 containers). Celebration of ten years operation of SE-VYZ is described

  13. EPR of SeO2- and SeO3- radicals in alkaline borate glasses with 77Se isotope

    International Nuclear Information System (INIS)

    Galimov, D.G.; Tarzimanov, K.D.

    1977-01-01

    Alkaline borate glasses with 77 Se were investigated in order to establish the nature of selenium compounds and radicals in glasses. The relationship between alkali ions and the oxygen radical of selenium was determined by decoding the hyperfine structure of the alkaline borate glass EPR spectra obtained before and after γ-irradiation. The irradiated and non-irradiated glasses were characterized by hyperfine splitting of the EPR lines from the α- and β centres. Moreover, the irradiated samples were noted to have a line doublet (signal phi). With intenser reduction conditions of glass fusion, the intensities of α, β, and phi signals were noted to decline. This confirmes the suggestion that these centres were caused by oxygen compouds. The authors concluded that α and β signals were due to the paramagnetic centres of SeO 2 - and [SeO 2 - ]R + , and phi signal to the SeO 3 - radicals

  14. Se-Se isoelectronic centers in high purity CdTe

    Energy Technology Data Exchange (ETDEWEB)

    Najjar, Rita; Andre, Regis; Mariette, Henri [CEA-CNRS, Nanophysique et Semiconducteurs, Institut Neel, 25 rue des martyrs, 38042 Grenoble (France); Golnik, Andrzej; Kossacki, Piotr; Gaj, Jan A. [Institute of Experimental Physics, University of Warsaw, Hoza 69, 00-681 Warsaw (Poland)

    2010-06-15

    We evidence zero-dimensional exciton states trapped on isoelectronic Se centers in CdTe quantum wells, {delta}-doped with Se. Thanks to special precautions taken to have very high purity CdTe heterostructures, it is possible to observe, in photoluminescence spectra, sharp discrete lines arising from individual centers related to the Se doping. These emission lines appear at about 40 meV below the CdTe band gap energy. The most prominent lines are attributed to the recombination of excitons bound to nearest-neighbor selenium pairs in a tetrahedral CdTe environment. This assignment is confirmed by a common linear polarization direction of the emitted light, parallel to <110>. These excitons localized on individual isoelectronic traps are good candidates as single photon emitters (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Synthesis of dextran/Se nanocomposites for nanomedicine application

    International Nuclear Information System (INIS)

    Shen Yuhua; Wang Xiufang; Xie Anjian; Huang Lachun; Zhu Jinmiao; Chen Long

    2008-01-01

    In this study, spherical Se nanoparticles were prepared by the reduction of aqueous selenious acid with ice bath through a simple, conventional, and one-step method without the aid of any surfactant, or template. The nanoparticles were characterized by transmission electron microscopy (TEM), photon correlation spectroscopy (PCS), X-ray powder diffraction (XRD), Ultraviolet-visible spectroscopy (UV-vis), Zeta potential, respectively. The results show the Se nanoparticles have good particle dispersion with the average diameters of 36 nm and are amorphous (α-Se). Tablets A and B containing dextran and Se nanoparticles were synthesized with different preparation methods. Se nanoparticles studded equably in the interior and the surface of the tablets, and there are strong interactions between Se and dextran. The release of Se from tablets is investigated in the simulated gastric and intestinal conditions. It is found that the pH environment and different synthetical methods have significant influence on the release rate of Se. The release mechanism of Se nanoparticles is also discussed. The nanocomposites can be applied in controlled releasing of Se nanomedicine

  16. Sample Set (SE): SE30 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE30 Comparison of seed metabolites among soybean varieties Investigation of Glycine max. green seed metabol...ites. 3 varieties (Kamogawashichiri, Koitozairai, Tanbakuro) data are examined. Tak

  17. Sample Set (SE): SE13 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE13 Comparison of leaf metabolites among spinach varieties Investigation of Spinacia oleracea leaf metaboli...tes. 4 cultivers (Nihon, Kanaji, Kurohaminstarland and Wasesaradaakari) and 3 repli

  18. Influence of CdSe layer air-baking on physical properties of CdSe-As2Se3 heterostructures

    International Nuclear Information System (INIS)

    Schauer, F.; Heza, S.; Kosek, F.; Cimpl, Z.

    1980-01-01

    An investigation is made of the influence of the air-baking time on the physical properties of a CdSe layer, which is a part of the heterogeneous structure CdSe-As 2 Se 3 used as a camera tube target. The I-U characteristics, C-U characteristics, the dependence of both the real and imaginary part admittance on frequency, and the photoconductance characteristics are measured. All measurements are carried out on heterostructures prepared with variable air-baking time of the CdSe layer: t =0, 5, 15, 40, and 120 min. The results of measurements contribute to the finding of the optimal production procedure with a minimum baking time of tsub(min) = 15 min. The heterostructures exhibit satisfactory properties. The dark current Isub(d)(U =1 V, T = 300 K) = 10 -10 Acm -2 with a rectification factor g(U = 10 V) = 10 6 and a capacitance C (2 kHz) = 2900 pFcm -2 . (author)

  19. ZnSe MSM photodetectors prepared on GaAs and ZnSe substrates

    International Nuclear Information System (INIS)

    Lin, T.K.; Chang, S.J.; Su, Y.K.; Chiou, Y.Z.; Wang, C.K.; Chang, S.P.; Chang, C.M.; Tang, J.J.; Huang, B.R.

    2005-01-01

    Homoepitaxial and heteroepitaxial ZnSe metal-semiconductor-metal (MSM) photodetectors were both fabricated and characterized. It was found that homoepitaxial ZnSe MSM photodetector could provide us smaller dark current and large photocurrent. With an incident wavelength of 448 nm, it was found that the maximum responsivities for the homoepitaxial and heteroepitaxial ZnSe photodetectors were 0.128 and 0.045 A/W, which corresponds to a quantum efficiency of 36 and 12%, respectively. Furthermore, it was found that we achieved the minimum noise equivalent power (NEP) of 7.6 x 10 -13 W and the maximum normalized detectivity (D *) of 9.3 x 10 11 cm Hz 0.5 W -1 from our homoepitaxial ZnSe photodetector. In contrast, NEP and D * of the heteroepitaxial ZnSe photodetector were 2.9 x 10 -12 W and 2.44 x 10 11 cm Hz 0.5 W -1 , respectively

  20. SE PREVENINDO?

    Directory of Open Access Journals (Sweden)

    Ana Débora Assis Moura

    2010-01-01

    Full Text Available Este estudio tuvo como objetivo verificar el comportamiento de las prostitutas en relación a la prevención de enfermedades de transmisión sexual y del Síndrome de Inmunodeficiencia Adquirida-SIDA, así como investigar cómo se previenen de esas enfermedades. Se trata de una investigación exploratoria, con enfoque cualitativo, llevada a cabo en la Asociación de las Prostitutas en Ceará, Brazil, en septiembre de 2008, a través de una encuesta con 25 prostitutas. El análisis de los datos se hizo según el análisis de contenido, después de ser agrupados en cuatro categorías: conocimiento sobre las enfermedades de transmisión sexual/SIDA; convivencia con la(s enfermedad(es; prevención de la enfermedad de transmisión sexual/SIDA; y el uso de drogas. Se concluyó que las prostitutas no usan preservativos en todas las relaciones sexuales, por lo tanto, las enfermedades de transmisión sexual representan una realidad; la desinformación sobre la(s enfermedad(es es notable; el consumo de drogas lícitas e ilícitas es frecuente entre ellas, factor que las expone a situaciones más vulnerables con relación al VIH/SIDA.

  1. Shear bond strength of one-step self-etch adhesives to dentin : evaluation of NaOCl pretreatment

    OpenAIRE

    Colombo, Marco; Beltrami, Riccardo; Chiesa, Marco; Poggio, Claudio; Scribante, Andrea

    2018-01-01

    The aim of this study was to evaluate the influence of dentin pretreatment with NaOCl on shear bond strength of four one-step self-etch adhesives with different pH values. Bovine permanent incisors were used. Four one-step self-etch adhesives were tested: Adper? Easy Bond, Futurabond NR, G-aenial Bond, Clearfil S3 Bond. One two-step self-etch adhesive (Clearfil SE Bond) was used as control. Group 1- no pretreatment; group 2- pretratment with 5,25 % NaOCl; group 3- pretreatment with 37 % H3PO4...

  2. Hot exciton relaxation in multiple layers CdSe/ZnSe self-assembled quantum dots separated by thick ZnSe barriers

    International Nuclear Information System (INIS)

    Eremenko, M; Budkin, G; Reznitsky, A

    2015-01-01

    We have studied PL and PLE spectra of two samples (A and B) of MBE grown CdSe/ZnSe asymmetric double quantum wells with different amount of deposited CdSe layers separated by 14 nm ZnSe barrier. It has been found that PLE spectra of the states forming short wavelength side of the PL spectra of both deep and shallow QWs of the sample A as well as that of deep QW of the sample B demonstrate oscillating structure in the spectral ranges corresponding to exciton states of self-assembled quantum dots only. Meanwhile PLE spectra of the short wavelength states of shallow QW the sample B revealed pronounced oscillating structure with energy period of ZnSe LO phonon under excitation with photons in a wide energy range both in the regions of quantum-dot states and in that of free states in the ZnSe barrier. In these spectra creating of excitons with kinetic energies more than 0.3 eV was observed which considerably exceed the exciton binding energy as well as LO phonon energy (both appr. 0.03 eV). It has been concluded that oscillating structure of the PLE spectra arises due to cascade relaxation of hot excitons. We discuss the model which explains these experimental findings. (paper)

  3. Hot exciton relaxation in multiple layers CdSe/ZnSe self-assembled quantum dots separated by thick ZnSe barriers

    Science.gov (United States)

    Eremenko, M.; Budkin, G.; Reznitsky, A.

    2015-11-01

    We have studied PL and PLE spectra of two samples (A and B) of MBE grown CdSe/ZnSe asymmetric double quantum wells with different amount of deposited CdSe layers separated by 14 nm ZnSe barrier. It has been found that PLE spectra of the states forming short wavelength side of the PL spectra of both deep and shallow QWs of the sample A as well as that of deep QW of the sample B demonstrate oscillating structure in the spectral ranges corresponding to exciton states of self-assembled quantum dots only. Meanwhile PLE spectra of the short wavelength states of shallow QW the sample B revealed pronounced oscillating structure with energy period of ZnSe LO phonon under excitation with photons in a wide energy range both in the regions of quantum-dot states and in that of free states in the ZnSe barrier. In these spectra creating of excitons with kinetic energies more than 0.3 eV was observed which considerably exceed the exciton binding energy as well as LO phonon energy (both appr. 0.03 eV). It has been concluded that oscillating structure of the PLE spectra arises due to cascade relaxation of hot excitons. We discuss the model which explains these experimental findings.

  4. Sample Set (SE): SE53 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE53 Covering chemical diversity of genetically-modified tomatoes using metabolomics...signature. We conclude that multi-platform metabolomics is an approach that is both sensitive and robust and

  5. Sample Set (SE): SE10 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE10 Effect of phosphorus nutrition for cabbage metabolites Investigation of Brassi...ca oleracea var. capitata Hatukoi leaf metabolites. 3 growth conditions (high, low and no phosphorus nutrition

  6. Sample Set (SE): SE31 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE31 Comparison of seed metabolites among eggplant fruit tissues Investigation of S...olanum melongena Senryounigou metabolites. 3 tissues (flesh, fruit, peel) data are examined. Takeshi Ara 1,

  7. Sample Set (SE): SE28 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE28 Comparison of leaf metabolites among developmental stages of Hevea brasiliensi...s Investigation of Hevea brasiliensis leaf metabolites. 4 developmental stages and 6 replicates data are exa

  8. The influence of salivary contamination on shear bond strength of dentin adhesive systems.

    Science.gov (United States)

    Park, Jeong-won; Lee, Kyung Chae

    2004-01-01

    This study evaluated the influence of salivary contamination during dentin bonding procedures on shear bond strength and investigated the effect of contaminant-removing treatments on the recovery of bond strength for two dentin bonding agents. One hundred and ten human molars were embedded in cylindrical molds with self-curing acrylic resin. The occlusal dentin surface was exposed by wet grinding with #800 silicon carbide abrasive paper. The teeth were divided into five groups for One-step (OS) (BISCO, Inc) and six groups for Clearfil SE Bond (SE) (Kuraray Co, Ltd, Osaka, Japan). For One-step, the grinding surface was treated with 32% phosphoric acid; BAC (BISCO Inc) and divided into five groups: OS control group (uncontaminated), OS I (salivary contamination, blot dried), OS II (salivary contamination, completely dried), OS III (salivary contamination, wash and blot dried) and OS IV (salivary contamination, re-etching for 10 seconds, wash and blot dried). For SE bond, the following surface treatments were done: SE control group (primer applied to the fresh dentin surface), SE I (after salivary contamination, primer applied), SE II (primer, salivary contamination, dried), SE III (primer, salivary contamination, wash and dried), SE IV (after procedure of SE II, re-application of primer) and SE V (after procedure of SE III, re-application of primer). Each bonding agent was applied and light cured for 10 seconds. Clearfil AP-X (Kuraray Co, Ltd) composite was packed into the Ultradent mount jig mold and light cured for 40 seconds. The bonded specimens were stored for 24 hours in a 37 degrees C waterbath. The shear bond strengths were measured using an Instron testing machine (Model 4202, Instron Corp). The data for each group were subjected to one-way ANOVA followed by the Newman-Keuls test to make comparisons among the groups. The results were as follows: In the One-step groups, the OS II group showed statistically significant lower shear bond strength than the OS

  9. Superconductivity in the ferecrystals (PbSe){sub 1.14}(NbSe{sub 2}){sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Grosse, Corinna; Chiatti, Olivio; Fischer, Saskia F. [Novel Materials Group, Humboldt-Universitaet Berlin (Germany); Alemayehu, Matti B.; Falmbigl, Matthias; Johnson, David C. [Department of Chemistry, University of Oregon, Eugene, OR (United States)

    2016-07-01

    The ferecrystals (PbSe){sub 1.14}(NbSe{sub 2}){sub n} are artificially layered materials consisting of n NbSe{sub 2} single-layers stacked alternately with atomic double layers of PbSe. NbSe{sub 2} is a transition metal dichalcogenide with interesting electrical properties such as superconductivity and charge density waves. The influence of turbostratic disorder, a random rotation between the NbSe{sub 2} and PbSe layers, on the superconducting transition temperature has been unknown so far. We investigate the structural and temperature-dependent electrical properties of the ferecrystals (PbSe){sub 1.14}(NbSe{sub 2}){sub n} by means of scanning transmission electron microscopy, X-ray diffraction, in-plane resistivity and Hall measurements and compare them to those of analogous non-disordered misfit layer compound (MLC) polymorphs. We observe a superconducting transition in the resistivity of the ferecrystals. The transition temperatures are reduced by up to 55 % with respect to the analogous MLC polymorphs. This indicates that turbostratic disorder substantially weakens the electron-phonon coupling in (PbSe){sub 1.14}(NbSe{sub 2}){sub n}. We discuss the results of the structural and electrical properties of the ferecrystals with respect to their MLC analogues and also with respect to ultra-thin NbSe{sub 2} layers.

  10. Origin of structural analogies and differences between the atomic structures of GeSe{sub 4} and GeS{sub 4} glasses: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Bouzid, Assil; Le Roux, Sébastien; Ori, Guido; Boero, Mauro; Massobrio, Carlo [Institut de Physique et de Chimie des Matériaux de Strasbourg, Université de Strasbourg and CNRS UMR 7504, 23 rue du Loess, BP43, F-67034 Strasbourg Cedex 2 (France)

    2015-07-21

    First-principles molecular dynamics simulations based on density functional theory are employed for a comparative study of structural and bonding properties of two stoichiometrically identical chalcogenide glasses, GeSe{sub 4} and GeS{sub 4}. Two periodic cells of 120 and 480 atoms are adopted. Both glasses feature a coexistence of Ge-centered tetrahedra and Se(S) homopolar connections. Results obtained for N = 480 indicate substantial differences at the level of the Se(S) environment, since Ge–Se–Se connections are more frequent than the corresponding Ge–S–S ones. The presence of a more prominent first sharp diffraction peak in the total neutron structure factor of glassy GeS{sub 4} is rationalized in terms of a higher number of large size rings, accounting for extended Ge–Se correlations. Both the electronic density of states and appropriate electronic localization tools provide evidence of a higher ionic character of Ge–S bonds when compared to Ge–Se bonds. An interesting byproduct of these investigations is the occurrence of discernible size effects that affect structural motifs involving next nearest neighbor distances, when 120 or 480 atoms are used.

  11. Synthesis and optical study of green light emitting polymer coated CdSe/ZnSe core/shell nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, S.K., E-mail: surya@pu.ac.in [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh 160 014 (India); Sharma, Mamta [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh 160 014 (India)

    2013-05-15

    Highlights: ► Synthesis of Polymer coated core CdSe and CdSe/ZnSe core/shell NCs. ► From TEM image, the spherical nature of CdSe and CdSe/ZnSe is obtained. ► Exhibiting green band photoemission peak at 541 nm and 549 nm for CdSe core and CdSe/ZnSe core/shell NCs. ► The shell thickness has been calculated by using superposition of quantum confinement energy model. - Abstract: CdSe/ZnSe Core/Shell NCs dispersed in PVA are synthesized by chemical method at room temperature. This is characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV/Vis spectra and photoluminescence spectroscopy (PL). TEM image shows the spherical nature of CdSe/ZnSe core/shell NCs. The red shift of absorption and emission peak of CdSe/ZnSe core/shell NCs as compared to CdSe core confirmed the formation of core/shell. The superposition of quantum confinement energy model is used for calculation of thickness of ZnSe shell.

  12. Sample Set (SE): SE20 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE20 Arabidopsis thaliana leaf metabolite analysis for a software test Investigatio...es that were investigated to optimize the parameters of PowerGet software for better metabolite annotation i

  13. Banks offer SE more than it asked for

    International Nuclear Information System (INIS)

    Janoska, J.

    2004-01-01

    About a year ago, when new management took over the financial department of Slovenske elektrarne (SE), a.s. the company was in crisis. It faced an acute cash-flow deficit and due loans of over 20 bill. Sk (501.21 mil. Eur). SE could not provide adequate guarantees for the required loans and without state guarantees it was virtually impossible or too expensive to obtain additional loans. But last week the situation changed for the better. Despite the fact that due to the restructuring of SE's loan portfolio, the company will pay the banks 3 bill. Sk (75.18 mil. Eur) less interest over the next three years than under the original arrangements, even the bakers seemed satisfied. A loan portfolio full of non-standard agreements signed with about 30 banks had previously prevented decisions regarding the structure of the company's assets and liabilities.The cabinet refused to admit that SE was in crisis and offered SE for sale, although it could not be privatised due to its debt structure and the fact that it was close to default. Despite this unfavourable situation, company economists decided to make an offensive move -in cooperation with a small group of banks they converted the tens of company loan agreements into a new loan package that will be simpler, cheaper, and with longer maturity periods, which will not require state guarantees. SE managed to restructure debts with a total value of 550 mil. Eur and until these transactions are completed the banks offered SE a bridge loan of 110 mil. Eur. The transaction related to a syndicated loan of 350 mil. Eur which was concluded in April. Eurobonds with a total value of 200 mil. Eur were issued two months later. The banks offered the company more than it requested. Demand for the Eurobond issue exceeded the 200 mil. Eur of bonds on offer. (author)

  14. Sample Set (SE): SE18 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available in by Orbitrap MS and automated search engine Lipid Search A comprehensive and precise identification of pho...SE18 Global identification of phospholipid molecular species in mouse liver and bra

  15. Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

    International Nuclear Information System (INIS)

    Kafashan, Hosein; Azizieh, Mahdi; Balak, Zohre

    2017-01-01

    Highlights: • Nanostructured SnS_1_-_xSe_x thin films were prepared by using electrodeposition method. • The XRD patterns obviously showed that the synthesized films were polycrystalline. • The PL spectra of SnS_1_-_xSe_x thin films showed four emission peaks. • The UV–vis spectra shows a variation in the optical band gap energy of SnS_1_-_xSe_x thin films from 1.22 to 1.65 eV. • SnS_1_-_xSe_x thin films would be suitable for use as absorber layers. - Abstract: SnS_1_-_xSe_x nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, −1 V, and 30 min, respectively. SnS_1_-_xSe_x nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV–vis spectroscopy. The XRD patterns revealed that the SnS_1_-_xSe_x nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS_1_-_xSe_x nanostructures due to Se-doping. PL and UV–vis spectroscopy were used to evaluate the optical properties of SnS_1_-_xSe_x thin films. The PL spectra of SnS_1_-_xSe_x nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV–vis spectra showed that the optical band gap energy (E_g) of SnS_1_-_xSe_x nanostructures varied between 1.22–1.65 eV, due to Se-doping.

  16. Sample Set (SE): SE14 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE14 Effect of agricultural films for tomato fruit metabolites Investigation of Sol...anum lycopersicum fruit metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultura

  17. Properties of the CuGaSe2 and CuInSe2 (001) surface

    International Nuclear Information System (INIS)

    Deniozou, T.

    2005-01-01

    The main task of this work was to investigate the (001) CuGaSe 2 and CuInSe 2 surface in dependence of preparation and stoichiometry. The knowledge of the atomic structure as well as other surface properties is important in respect to optimization of novel thin film solar cells. For the characterization of the layers mainly Auger electron Spectroscopy, low-energy electron diffraction and photoelectron spectroscopy were implemented. The development of an appropriate procedure with Ar + sputtering and annealing combined with decapping enabled the preparation of clean and well-ordered surfaces. Different surface structures were observed in dependence of the layer preparation and composition. A (4 x 1) reconstruction was observed for the first time on CuGaSe 2 layers grown with a moderate Cu-excess after preparation by sputtering and annealing. Similarly a (4 x 2) reconstruction was detected on CuInSe2 surfaces of Cu-poor layers. A reconstruction could be also observed on Cu-poorer layers, however the facets/steps could not be completely removed. Cu-richer layers were facet-free, however the observed reconstruction was also weaker. Thus it was shown that in contrary to recent expectations, according to which only the (112) surface is stable, also the (001) can be stable under particular conditions. The appearance of facets or steps is correlated with the presence of CuIn 3 Se 5 or CuGa 3 Se 5 phases. This information is furthermore important for the understanding of grain boundaries in polycrystalline CuGaSe 2 and CuInSe 2 . Binding energy shifts were observed for the first time on all Se3d, In4d, Ga3d, Cu3d core levels of the reconstructed surfaces. By comparison with results from the literature from the similar ZnSe (100) surface a modell for the (4 x 2) reconstruction was proposed. The surface components in the Se3d, In4d and Cu3d emission were attributed to Se dimers or In and Cu adatoms respectively. The x 1 periodicity of the (4 x 1) reconstruction of CuGaSe 2 is

  18. Sample Set (SE): SE16 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE16 Effect of agricultural films for spinach leaf metabolites 2 Investigation of S...pinacia oleracea leaf metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultura

  19. Sample Set (SE): SE26 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE26 Effect of compost for cabbage metabolites Investigation of Brassica oleracea v...ar. capitata YR Seisyun leaf metabolites. 2 growth conditions (with or without 6t compost treatment) and 3 r

  20. Aqueous based synthesis of N-acetyl-L-cysteine capped ZnSe nanocrystals with intense blue emission

    Science.gov (United States)

    Soheyli, Ehsan; Sahraei, Reza; Nabiyouni, Gholamreza

    2016-10-01

    In this work a very simple reflux route for preparation of ZnSe nanocrystals with minor modification and faster preparation over conventional ones is introduced. X-ray diffraction analysis indicated that the ZnSe nanocrystals have a cubic structure. The complete disappearance of the S-H band in FT-IR spectrum of N-acetyl-L-cysteine capped ZnSe nanocrystals was an indication over formation of Zn-thiol covalent bonds at the surface of the nanocrystals which results in passivation of small nanocrystals. The strong size-quantization regime was responsible of significant blue shift in absorption/emission spectra. Using the well-known calculations, band gap and Urbach energy of the ZnSe nanocrystals were measured and their average size was estimated optically to be around 4.6 nm along with the TEM image. A dark blue emission with higher relative intensity of excitonic to trap emissions (compared to conventional method), very narrow excitonic emission peak of about 16 nm and remarkable stability was obtained from the ZnSe nanocrystals.

  1. Stable and metastable equilibria in PbSe + SnI2=SnSe + PbI2

    International Nuclear Information System (INIS)

    Odin, I.N.; Grin'ko, V.V.; Kozlovskij, V.F.; Demidova, E.D.

    2003-01-01

    T-x-y phase diagrams of the PbSe + SnI 2 =SnSe + PbI 2 mutual system (stable states) are plotted for the first time. It is shown that melt, solid solutions on the base of components of the mutual system and phase on the base of Sn 2 SeI 4 take part in phase equilibria. Transformations in the PbSe + SnI 2 =SnSe + PbI 2 mutual system leading to crystallization of metastable polytype modifications of lead iodides and metastable ternary compound forming in PbSe-PbI 2 system are investigated for the first time [ru

  2. Exciton dephasing and biexciton binding in CdSe/ZnSe islands

    DEFF Research Database (Denmark)

    Wagner, Hans Peter; Tranitz, H.-P.; Preis, H

    1999-01-01

    The dephasing of excitons and the formation of biexcitons in self-organized CdSe/ZnSe islands grown by molecular-beam epitaxy is investigated using spectrally resolved four-wave mixing. A distribution of exciton-exciton scattering efficiencies and dephasing times in the range of 0.5-10 ps...

  3. Simultaneous tracing of 76Se-selenite and 77Se-selenomethionine by absolute labeling and speciation

    International Nuclear Information System (INIS)

    Suzuki, Kazuo T.; Somekawa, Layla; Kurasaki, Kazuki; Suzuki, Noriyuki

    2006-01-01

    Nutritional selenocompounds are transformed into the assumed common intermediate selenide, which is utilized for the synthesis of selenoenzymes or transformed into methylated metabolites for excretion. Hence, selenocompound metabolites can be traced only with labeled selenium. Here we applied a new tracer method for the metallomics of biometals using simultaneous speciation of each metallome labeled with different homo-elemental isotopes to metabolism and availability of selenium. Rats were depleted of endogenous natural abundance selenium by feeding a single selenium stable isotope ( 82 Se-selenite) and then administered 76 Se-selenite and 77 Se-selenomethionine ( 77 Se-SeMet)simultaneously. Biological samples were subjected to quantification and speciation analysis by HPLC-ICPMS. Metabolites of the labeled 76 Se and 77 Se and interaction with endogenous selenium were traced and examined without interference from the corresponding endogenous natural abundance isotopes. Differences in the distribution and metabolism among organs and between the two nutritional selenocompounds were compared under exactly identical biological and analytical conditions: (1) selenite was distributed more efficiently than SeMet in organs and body fluids except the pancreas. (2) SeMet was taken up by organs in its intact form. (3) Selenium of SeMet origin was distributed selectively in the pancreas and mostly bound to a protein together with intact SeMet. (4) Selenosugars A and B but not trimethylselenonium (TMSe) were detected in the liver. (5) Selenosugar B and TMSe were detected in the kidneys

  4. Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Kafashan, Hosein, E-mail: hosein840521@gmail.com; Azizieh, Mahdi; Balak, Zohre

    2017-07-15

    Highlights: • Nanostructured SnS{sub 1-x}Se{sub x} thin films were prepared by using electrodeposition method. • The XRD patterns obviously showed that the synthesized films were polycrystalline. • The PL spectra of SnS{sub 1-x}Se{sub x} thin films showed four emission peaks. • The UV–vis spectra shows a variation in the optical band gap energy of SnS{sub 1-x}Se{sub x} thin films from 1.22 to 1.65 eV. • SnS{sub 1-x}Se{sub x} thin films would be suitable for use as absorber layers. - Abstract: SnS{sub 1-x}Se{sub x} nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, −1 V, and 30 min, respectively. SnS{sub 1-x}Se{sub x} nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV–vis spectroscopy. The XRD patterns revealed that the SnS{sub 1-x}Se{sub x} nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS{sub 1-x}Se{sub x} nanostructures due to Se-doping. PL and UV–vis spectroscopy were used to evaluate the optical properties of SnS{sub 1-x}Se{sub x} thin films. The PL spectra of SnS{sub 1-x}Se{sub x} nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV–vis spectra showed that the optical band gap energy (E{sub g}) of SnS{sub 1-x}Se{sub x} nanostructures varied between 1.22–1.65 eV, due to Se-doping.

  5. CdSe-based quantum dot nanostructures: MBE growth, properties and applications

    International Nuclear Information System (INIS)

    Ivanov, S.V.

    2004-01-01

    The paper presents an overview of the recent results of novel CdSe quantum dot (QD) fabrication techniques with the main emphasis on a stressor-controlled self-organization process resulting in nucleation of the optically active up to room temperature real CdSe QDs with a narrower size distribution, a higher density and a high Cd content. The main idea of the stressor-controlled epitaxy is the intentional introduction of a super-strained fractional monolayer of a much higher lattice-mismatch compound - stressor - to create strong local stress fields on the growth surface which govern self-assembling of the main QD material. The studies were performed on a type-II non-common atom CdSe/BeTe system, where CdTe (Δa/a∼14%) and BeSe (Δa/a∼-10%) interface bonds play the role of intrinsic stressors. Both experimental data (growth, structural and optical characterization) and Monte Carlo simulation of the growth process are presented

  6. Die tema van God se spraak in Hebreërs se inleidingsformules

    Directory of Open Access Journals (Sweden)

    Albert J. Coetsee

    2015-03-01

    Full Text Available Alhoewel die voorkoms en gebruik van die Ou Testament in die meeste navorsing oor Hebreërs besonder baie aandag geniet, is dit nie die geval met die Hebreërskrywer se gebruik van inleidingsformules vir sy Ou-Testamentiese aanhalings nie. Die gevolg is dat daar tot op hede betreklik min selfstandige navorsing oor die Hebreërskrywer se tema van God se spraak by sy inleidingsformules gedoen is. In hierdie artikel word Hebreërs se inleidingsformules in besonderhede nagegaan om te bepaal wat die aard en inhoud van die Hebreërskrywer se verwysings na die tema van God se spraak in sy inleidingsformules is. Daar word onder andere bepaal dat Hebreërs 38 direkte aanhalings vanuit die Ou Testament bevat, dat die Hebreërskrywer, met slegs een uitsondering, elke inleidingsformule met ’n werkwoord van sêinlei, dat ’n Persoon van die Drie-eenheid in 34 van die 38 direkte aanhalings (± 89% die onderwerp en gevolglike Spreker van die Ou-Testamentiese woorde is, dat die Hebreërskrywer al drie Persone van die Drie-eenheid as God beskou, en dat die Hebreërskrywer oortuig is dat die Ou Testament geïnspireer is en God se geldige en relevante openbaring bly. The theme of God’s speech in Hebrews’ introduction formulae. Whilst the occurance and function of the Old Testament in research on Hebrews enjoys a lot of attention, this is not the case for the writer of Hebrews’ use of introduction formulae for his Old Testament quotations. The result is that up to date relatively few independent studies have been made on the writer of Hebrews’ theme of God’s speech in his introduction formulae. In this article the introduction formulae in Hebrews are researched in detail to determine the nature and content of the writer of Hebrews’ reference to the theme of God’s speech in his introduction formulae. Amongst other things it is determined that Hebrews has 38 direct quotations from the Old Testament, that with the exception of one

  7. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Science.gov (United States)

    Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

    2014-12-01

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  8. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Zhaochuan; Vlugt, Thijs J. H., E-mail: t.j.h.vlugt@tudelft.nl [Process and Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft,The Netherlands (Netherlands); Koster, Rik S.; Fang, Changming; Huis, Marijn A. van [Debye Institute for Nanomaterials Science and Center for Extreme Matter and Emergent Phenomena, Utrecht University, Princetonplein 5, 3584 CC Utrecht (Netherlands); Wang, Shuaiwei [Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou, Henan 450006 (China); Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W. [Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft (Netherlands)

    2014-12-28

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., “Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth,” Nano Lett. 14, 3661–3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  9. Determination of K shell fluorescence cross-section and Kβ/Kα intensity ratios for Fe, Se, Te, FeSe, FeTe and TeSe

    International Nuclear Information System (INIS)

    Saydam, M.; Aksoy, C.; Cengiz, E.; Alaşalvar, C.; Tıraşoğlu, E.; Apaydın, G.

    2012-01-01

    The fluorescence cross-sections (σ Ki ) and the intensity ratios K β /K α for pure Fe, Se, Te elements and FeSe, FeTe, TeSe complexes have been investigated. The samples were excited by 59.5 keV γ-rays from 241 Am annular radioactive source and emitted X-rays. They were counted by an Ultra-LEGe detector with resolution of 150 eV at 5.9 keV. For pure elements results have been compared with the theoretical calculated values. According to our results band length and mutual interaction of atoms affected the results. We claimed that these effects would help researchers who study on superconductors, especially determining which compound can be show the superconductor properties. - Highlights: ► TeSe, FeSe and FeTe complexes have affected each other in terms of charge transfer. ► Fe excitement and enhancement have been made by Se and Te. ► Attractive interactions between electrons can help to becoming superconductivity.

  10. AgSbSe2 and AgSb(S,Se)2 thin films for photovoltaic applications

    International Nuclear Information System (INIS)

    Garza, J.G.; Shaji, S.; Rodriguez, A.C.; Das Roy, T.K.; Krishnan, B.

    2011-01-01

    Silver antimony selenide (AgSbSe 2 ) thin films were prepared by heating sequentially deposited multilayers of antimony sulphide (Sb 2 S 3 ), silver selenide (Ag 2 Se), selenium (Se) and silver (Ag). Sb 2 S 3 thin film was prepared from a chemical bath containing SbCl 3 and Na 2 S 2 O 3 , Ag 2 Se from a solution containing AgNO 3 and Na 2 SeSO 3 and Se thin films from an acidified solution of Na 2 SeSO 3 , at room temperature on glass substrates. Ag thin film was deposited by thermal evaporation. The annealing temperature was 350 deg. C in vacuum (10 -3 Torr) for 1 h. X-ray diffraction analysis showed that the thin films formed were polycrystalline AgSbSe 2 or AgSb(S,Se) 2 depending on selenium content in the precursor films. Morphology and elemental analysis of these films were done using scanning electron microscopy and energy dispersive X-ray spectroscopy. Optical band gap was evaluated from the UV-visible absorption spectra of these films. Electrical characterizations were done using Hall effect and photocurrent measurements. A photovoltaic structure: glass/ITO/CdS/AgSbSe 2 /Al was formed, in which CdS was deposited by chemical bath deposition. J-V characteristics of this structure showed V oc = 435 mV and J sc = 0.08 mA/cm 2 under illumination using a tungsten halogen lamp. Preparation of a photovoltaic structure using AgSbSe 2 as an absorber material by a non-toxic selenization process is achieved.

  11. Structural study of (CdS/ZnSe)/BeTe superlattices for λ=1.55 μm intersubband transition

    International Nuclear Information System (INIS)

    Li, B.S.; Akimoto, R.; Akita, K.; Hasama, H.

    2004-01-01

    A (CdS/ZnSe)/BeTe superlattice (SL), based on wide band gap II-VI compounds, with a large band offset of 3.1 eV was grown on a GaAs (001) substrate using molecular-beam epitaxy and an intersubband transition (ISB-T) of 0.78 eV (λ=1.58 μm) with a full width at half maximum (FWHM) of 96 meV observed. We studied structural properties using high-resolution x-ray diffraction combined with dynamic simulation and found through the strain state in samples that a ZnSe/BeTe interface having a quaternary interface layer (ZnTe) 0.45 (BeSe) 0.55 is preferentially formed despite the promotion of one molecular layer (ML) ZnTe interface formation. Be-Se bonds thus replace the Zn-Te bond in the transition region. For the CdS/ZnSe interface, an approximately 1 ML Zn 0.75 Cd 0.25 S ternary layer accompanied by ∼1 ML Zn 0.85 Cd 0.15 Se forms at the transition region due to Cd diffusion. X-ray (002) ω/2θ scan curves for (CdS/ZnSe)/BeTe SLs show sharp, intense satellite peaks exceeding ten orders, indicating high structure quality. We obtained excellent agreement between experimental diffraction patterns and the calculated curve via dynamic simulation for (CdS/ZnSe)/BeTe SLs. The good fits allows us to identify structure parameters in (CdS/ZnSe)/BeTe SLs, which are consistent with results of high-resolution transmission electron microscopy measurement. Based on dynamic simulated results, we obtained a structure of (CdS/ZnSe)/Be 1-x Mg x Te (x=1.2%) with an average lattice constant a SL matching the GaAs substrate. An ISB-T located at wavelength λ=1.55 μm with a narrow FWHM of 90 meV was thus realized at room temperature

  12. Fluorescent CdSe/ZnS nanocrystal-peptide conjugates for long-term, nontoxic imaging and nuclear targeting in living cells

    International Nuclear Information System (INIS)

    Chen, Fanqing; Gerion, Daniele

    2004-01-01

    One of the biggest challenges in cell biology is the imaging of living cells. For this purpose, the most commonly used visualization tool is fluorescent markers. However, conventional labels, such as organic fluorescent dyes or green fluorescent proteins (GFP), lack the photostability to allow the tracking of cellular events that happen over minutes to days. In addition, they are either toxic to cells (dyes), or difficult to construct and manipulate (GFP). We report here the use of a new class of fluorescent labels, silanized CdSe/ZnS nanocrystal-peptide conjugates, for imaging the nuclei of living cells. CdSe/ZnS nanocrystals, or so called quantum dots (qdots), are extremely photostable, and have been used extensively in cellular imaging of fixed cells. However, most of the studies about living cells so far have been concerned only with particle entry into the cytoplasm or the localization of receptors on the cell membrane. Specific targeting of qdots to the nucleus of living cells ha s not been reported in previous studies, due to the lack of a targeting mechanism and proper particle size. Here we demonstrate for the first time the construction of a CdSe/ZnS nanocrystal-peptide conjugate that carries the SV40 large T antigen nuclear localization signal (NLS), and the transfection of the complex into living cells. By a novel adaptation of commonly used cell transfection techniques for qdots, we were able to introduce and retain the NLS-qdots conjugate in living cells for up to a week without detectable negative cellular effects. Moreover, we can visualize the movement of the CdSe/ZnS nanocrystal-peptide conjugates from cytoplasm to the nucleus, and the accumulation of the complex in the cell nucleus, over a long observation time period. This report opens the door for using qdots to visualize long-term biological events that happen in the cell nucleus, and provides a new nontoxic, long-term imaging platform for cell nuclear processes

  13. The Crystal Structure of Cu4Bi4Se9

    DEFF Research Database (Denmark)

    Makovicky, E.; Søtofte, Inger; Karup-Møller, S.

    2002-01-01

    contains three square pyramidal Bi sites, an octahedrally coordinated Bi site as well as two tetrahedrally and two irregularly coordinated Cu sites. The structure is an intergrowth of PbS-like slabs with irregularly configured slabs of Bi pyramids and Cu tetrahedra. It contains covalently bonded Se-2...

  14. Strain in epitaxial high-index Bi{sub 2}Se{sub 3}(221) films grown by molecular-beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Bin [Physics Department, The University of Hong Kong, Pokfulam Road (Hong Kong); Chen, Weiguang [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); School of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Guo, Xin; Ho, Wingkin [Physics Department, The University of Hong Kong, Pokfulam Road (Hong Kong); Dai, Xianqi [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007 (China); School of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Jia, Jinfeng [Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), Collaborative Innovation Center of Advanced Microstructures, Department of Physics and Astronomy, Shanghai Jiaotong University, 800 Dongchuan Road, Shanghai 200240 (China); Xie, Maohai, E-mail: mhxie@hku.hk [Physics Department, The University of Hong Kong, Pokfulam Road (Hong Kong)

    2017-02-28

    Highlights: • High-index, off c-axis, Bi{sub 2}Se{sub 3} has been grown by molecular beam epitaxy on In{sub 2}Se{sub 3}. • A retarded strain relaxation process in such high-index Bi{sub 2}Se{sub 3} is observed, enabling experimentally probe strain effect on topological insulators. • It has been shown by calculation that the Dirac electrons participate in chemical bonding at the heterointerface. - Abstract: High-index Bi{sub 2}Se{sub 3}(221) film has been grown on In{sub 2}Se{sub 3}-buffered GaAs(001), in which a much retarded strain relaxation dynamics is recorded. The slow strain-relaxation process of in epitaxial Bi{sub 2}Se{sub 3}(221) can be attributed to the layered structure of Bi{sub 2}Se{sub 3} crystal, where the epifilm grown along [221] is like a pile of weakly-coupled quintuple layer slabs stacked side-by-side on substrate. Finally, we reveal strong chemical bonding at the interface of Bi{sub 2}Se{sub 3} and In{sub 2}Se{sub 3} by plotting differential charge contour calculated by first-principle method. This study points to the feasibility of achieving strained TIs for manipulating the properties of topological systems.

  15. Aqueous Synthesis of ZnSe/ZnS-2-R-Benzothiazole Nanocrystals with White Emission

    Directory of Open Access Journals (Sweden)

    Ying-Fan Liu

    2016-01-01

    Full Text Available We prepared water-soluble white light-emitting ZnSe/ZnS-2-R-benzothiazole nanocrystals (NCs, R = 2-hydroxy-5-(2,5-dimethyl-thienyl-phenyl. The penicillamine (Pen capped ZnSe/ZnS NCs were firstly prepared with high photoluminescence quantum yields (PL QY of 40%. Then they bond to 2-R-benzothiazole molecules, resulting in white light-emitting ZnSe/ZnS-2-R-benzothiazole NCs with QY of 75% over a 375 to 650 nm range of emission, which can be applied to white light-emitting diodes. The ZnSe/ZnS-2-R-benzothiazole NCs with two emission bands at around 451 and 557 nm were discussed and the possible mechanism of the interaction of ZnSe/ZnS NCs with 2-R-benzothiazole was also proposed.

  16. Formation and properties of epitaxial CdSe, ZnSe quantum dots. Conventional molecular beam epitaxy and related techniques

    Energy Technology Data Exchange (ETDEWEB)

    Mahapatra, Suddhasatta

    2008-01-16

    This thesis systematically investigates three such alternative approaches, along with conventional MBE, with emphasis on the formation-mechanism of QDs, and optimization of their morphological and optical attributes. it is shown here that no distinct 3D islands are formed in MBE growth of CdSe on ZnSe. While CdSe heteroepitaxy occurs in the multilayer-mode at T{sub G}=300 C, a reentrant recovery of the layer-by-layer mode is reported in this thesis, for growth at T{sub G}<{proportional_to}240 C. In the second variant technique, formation of large and distinct islands is demonstrated by deposition of amorphous selenium (a-Se) onto a 2D CdSe epilayer at room temperature and its subsequent desorption at a higher temperature (T{sub D}=230 C). The process steps of the third variant technique, developed in course of this work, are very similar to those of the previous one-the only alteration being the substitution of selenium with tellurium as the cap-forming-material. (orig.)

  17. Etch Pit Studies of II-VI-Wide Bandgap Semiconductor Materials ZnSe, ZnCdSe, and ZnCdMgSe Grown on InP

    National Research Council Canada - National Science Library

    Semendy, Fred

    1999-01-01

    Etch pit density (EPD) determination studies have been conducted on II-VI semiconductor materials ZnSe, ZnCdSe, and ZnCdMgSe grown on InP surfaces for the first time by using various etching solutions under different...

  18. Synthesis of ZnSe and ZnSe:Cu quantum dots by a room temperature photochemical (UV-assisted) approach using Na2 SeO3 as Se source and investigating optical properties.

    Science.gov (United States)

    Khafajeh, R; Molaei, M; Karimipour, M

    2017-06-01

    In this study, ZnSe and ZnSe:Cu quantum dots (QDs) were synthesized using Na 2 SeO 3 as the Se source by a rapid and room temperature photochemical (UV-assisted) approach. Thioglycolic acid (TGA) was employed as the capping agent and UV illumination activated the chemical reactions. Synthesized QDs were successfully characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), photoluminescence (PL) and UV-visible (UV-vis) spectroscopy, Fourier transform-infrared (FT-IR), and energy dispersive X-ray spectroscopy (EDX). XRD analysis demonstrated the cubic zinc blend phase QDs. TEM images indicated that round-shaped particles were formed, most of which had a diameter of about 4 nm. The band gap of the ZnSe QDs was higher than that for ZnSe in bulk. PL spectra indicated an emission with three peaks related to the excitonic, surface trap states and deep level (DL) states. The band gap and QD emission were tunable only by UV illumination time during synthesis. ZnSe:Cu showed green emission due to transition of electrons from the Conduction band (CB) or surface trap states to the 2 T 2 acceptor levels of Cu 2 + . The emission was increased by increasing the Cu 2 + ion concentration, such that the optimal value of PL intensity was obtained for the nominal mole ratio of Cu:Zn 1.5%. Copyright © 2016 John Wiley & Sons, Ltd.

  19. Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

    Energy Technology Data Exchange (ETDEWEB)

    Khalaf Al-zyadi, Jabbar M., E-mail: jabbar_alzyadi@yahoo.com [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Jolan, Mudhahir H. [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Yao, Kai-Lun, E-mail: klyao@mail.hust.edu.cn [School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); International Center of Materials Physics, Chinese Academy of Sciences, Shenyang 110015 (China)

    2016-04-01

    Recent studies showed that half-Heusler FeCrSe exhibits half-metallic ferromagnetism (Huang et al. [20]). In this paper, we investigate extensively the electronic, magnetic, and half-metallic properties of the half-Heusler alloy FeCrSe (111) and (001) surfaces and the interface with GaP (111) substrate by using the first-principles calculations within the density functional theory. The atomic density of states demonstrates that the half-me tallicity verified in the bulk FeCrSe is maintained at the CrSe-terminated (001) and Se-terminated (111) surfaces, but lost at both Cr- and Fe-terminated (111) surfaces and the Fe-terminated (001) surface. Alternatively, for the interface of FeCrSe/GaP (111), the bulk half-metallicity is destroyed at Se–P configuration while Se–Ga interface and subinterface show nearly 100% spin polarization. Moreover, the calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than the Se–P one. The calculated magnetic moments of Se, Ga at the Se–Ga (111) interface and P at the Se–P (111) interface increase with respect to the corresponding bulk values while the atomic magnetic moment of Se atom at the Se–P (111) interface decreases. We also notice that the magnetic moments of subinterface Fe at both Se–Ga and Se–P (111) interfaces decrease compared to the bulk values. - Highlights: • The half-metallicity verified in the bulk FeCrSe is kept at the CrSe-terminated (001) and Se-terminated (111) surfaces. • The calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than Se–P. • The magnetic moments of Se, Ga and P atoms at the interface increase. • The Se–Ga interface shows nearly 100% spin polarization.

  20. Theoretical and experimental studies of the ZnSe/CuInSe2 heterojunction band offset

    International Nuclear Information System (INIS)

    Nelson, A.J.; Schwerdtfeger, C.R.; Wei, S.; Zunger, A.; Rioux, D.; Patel, R.; Hoechst, H.

    1993-01-01

    We report first-principles band structure calculations that show that ZnSe/CuInSe 2 has a significant valence band offset (VBO, ΔE v ): 0.70±0.05 eV for the relaxed interface and 0.60±0.05 eV for the coherent interface. These large values demonstrate the failure of the common anion rule. This is traced to a stronger Cu,d-Se,p level repulsion in CuInSe 2 than the Zn,d-Se,p repulsion in ZnSe. The VBO was then studied by synchrotron radiation soft x-ray photoemission spectroscopy. ZnSe overlayers were sequentially grown in steps on n-type CuInSe 2 (112) single crystals at 200 degree C. In situ photoemission measurements were acquired after each growth in order to observe changes in the valence band electronic structure as well as changes in the In 4d and Zn 3d core lines. Results of these measurements reveal that the VBO is ΔE v =0.70±0.15 eV, in good agreement with the first-principles prediction

  1. Que se vea lo que se oye: a vueltas con los fonemas y las letras

    Directory of Open Access Journals (Sweden)

    Gómez del Estal Villarino, Mario

    2011-03-01

    Full Text Available Partiendo de lo que el refrán “La letra con sangre entra” viene a decir a quien se deje escucharlo, se abre una descripción de las diferencias radicales que se dan entre aprender a hablar y aprender a escribir. La relación entre ambas actividades no se puede entender sin analizar la tan extendida perversión que supone hablar lo que se escribe en vez de escribir lo que se habla. A continuación, se detallan algunos de los síntomas más frecuentes de dicha perversión, caracterizados todos por la intromisión de la conciencia en terrenos donde lo único que hace es estorbar, en especial la pronunciación pedantesca de ciertos finales silábicos o de palabra, como en traNSporte, aBStraKción, óPtico, oBjeto, fúTbol, libertaD, diGno o fraK, así como las distintas deformaciones que sufren las palabras que la ortografía académica prescribe que se escriban con la letra equis.

  2. 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.

  3. SeP, ApoER2 and megalin as necessary factors to maintain Se homeostasis in mammals.

    Science.gov (United States)

    Krol, Magdalena Beata; Gromadzinska, Jolanta; Wasowicz, Wojciech

    2012-10-01

    Selenoprotein P (SeP) is an extracellular protein containing ten selenium atoms in the form of selenocysteine, secreted mainly from the liver. About 60% of the whole plasma selenium level is present in SeP, which makes it a useful biomarker of selenium nutritional status. The main functions of SeP are transport and storage of selenium in plasma. It is especially an important protein for the brain, testes and kidneys where the supplementation of the proper amount of Se ensures the synthesis of selenoenzymes with antioxidant properties.Recently, it has been found that SeP uptake in kidneys, testes and brain depends on the apolipoprotein receptor 2 (ApoER2) and lipoprotein megalin receptor (Lrp2). Megalin receptor represents a physiological SeP receptor in kidneys, mediating the re-uptake of secreted SeP from the primary urine. The absence of a functional megalin receptor causes a significant reduction of plasma selenium and the SeP levels as a result of Se excretion. ApoER2 is a SeP receptor in the brain and testes which uptakes Se from the extracellular fluid. Deletion of ApoER2 in mice leads to a lowered selenium level in the brain and testes, neurological dysfunction, production of abnormal spermatozoa, infertility and even death when the subjects are fed a low-selenium diet. Copyright © 2012 Elsevier GmbH. All rights reserved.

  4. Effect of van der Waals interactions on the structural and binding properties of GaSe

    Energy Technology Data Exchange (ETDEWEB)

    Sarkisov, Sergey Y., E-mail: sarkisov@mail.tsu.ru [Tomsk State University, Lenin Avenue 36, 634050 Tomsk (Russian Federation); Kosobutsky, Alexey V., E-mail: kosobutsky@kemsu.ru [Tomsk State University, Lenin Avenue 36, 634050 Tomsk (Russian Federation); Kemerovo State University, Krasnaya 6, 650043 Kemerovo (Russian Federation); Shandakov, Sergey D. [Kemerovo State University, Krasnaya 6, 650043 Kemerovo (Russian Federation)

    2015-12-15

    The influence of van der Waals interactions on the lattice parameters, band structure, elastic moduli and binding energy of layered GaSe compound has been studied using projector-augmented wave method within density functional theory. We employed the conventional local/semilocal exchange-correlation functionals and recently developed van der Waals functionals which are able to describe dispersion forces. It is found that application of van der Waals density functionals allows to substantially increase the accuracy of calculations of the lattice constants a and c and interlayer distance in GaSe at ambient conditions and under hydrostatic pressure. The pressure dependences of the a-parameter, Ga–Ga, Ga–Se bond lengths and Ga–Ga–Se bond angle are characterized by a relatively low curvature, while c(p) has a distinct downward bowing due to nonlinear shrinking of the interlayer spacing. From the calculated binding energy curves we deduce the interlayer binding energy of GaSe, which is found to be in the range 0.172–0.197 eV/layer (14.2–16.2 meV/Å{sup 2}). - Highlights: • Effects of van der Waals interactions are analyzed using advanced density functionals. • Calculations with vdW-corrected functionals closely agree with experiment. • Interlayer binding energy of GaSe is estimated to be 14.2–16.2 meV/Å{sup 2}.

  5. Dynamical properties and their strain-dependence of ZnSe(ZnSe:N: Zinc-blende and wurtzite

    Directory of Open Access Journals (Sweden)

    Dandan Wang

    2014-06-01

    Full Text Available The lattice dynamical properties of ZnSe and ZnSe with substitutional N incorporation(ZnSe:N are investigated in both the zinc-blend(ZB and wurtzite(WZ structures using first-principles calculations. The optical phonon modes of ZB-ZnSe at the Γ-point locate at 250 cm−1 for LO and 213 cm−1 for TO. The characteristic E2 phonon modes at about 50 cm−1 and the E1 and another E2 phonon modes around 200 cm−1 of WZ-ZnSe are suggested to be the fingerprint for distinguishing the two polytypes of ZnSe. For substitutional N incorporated ZnSe, the N incorporation introduces three new high energy modes above 500 cm−1, and the splitting of them is much larger in the WZ phase than that in ZB phase. The strain dependence of phonon frequency which could be useful for corresponding spectroscopic strain characterization are also studied. The simple linear dependence is determined for ZB-ZnSe, while the situation for WZ-ZnSe looks more complicated.

  6. The electrochemical selective reduction of NO using CoSe2@CNTs hybrid.

    Science.gov (United States)

    Liu, Hui; Xiang, Kaisong; Yang, Bentao; Xie, Xiaofeng; Wang, Dongli; Zhang, Cong; Liu, Zhilou; Yang, Shu; Liu, Cao; Zou, Jianping; Chai, Liyuan

    2017-06-01

    Converting the NO from gaseous pollutant into NH 4 + through electrocatalytical reduction using cost-effective materials holds great promise for pollutant purifying and resources recycling. In this work, we developed a highly selective and stable catalyst CoSe 2 nanoparticle hybridized with carbon nanotubes (CoSe 2 @CNTs). The CoSe 2 @CNTs hybrid catalysts performed an extraordinary high selectivity for NH 4 + formation in NO electroreduction with minimal N 2 O production and H 2 evolution. The specific spatial structure of CoSe 2 is conductive to the predominant formation of N-H bond between the N from adsorbed NO and H and inhibition of N-N formation from adjacent adsorbed NO. It was also the first time to convert the coordinated NO into NH 4 + using non-noble metal catalysis. Moreover, the original concept of employing CoSe 2 as eletrocatalyst for NO hydrogenation presented in this work can broaden horizons and provide new dimensions in the design of new highly efficient catalysts for NH 4 + synthesis in aqueous solution.

  7. Crystal structure of mineral grechishchevite synthetic analogue and Hg-X (X=S, Se, Te) bonds topology in structures of mercury chalcogenhalides

    International Nuclear Information System (INIS)

    Pervukhina, N.V.; Borisov, S.V.; Magarill, S.A.; Naumov, D.Yu.; Vasil'ev, V.I.; Nenashev, B.G.

    2004-01-01

    Structural studies of synthetic analog of mineral grechishchevite Hg 3 S 2 Br 1.00 Cl 0.50 I 0.50 were conducted, the mineral crystal structure was refined, the results of the studies being analyzed. For chalcogenhalides Hg 3 X 2 Hal 2 (X=S, Se, Te; Hal=Cl, Br, I) inventory was taken of intergrowing isolated and infinite, i.e. continuous, layered and carcass, covalently bonded Hg-X-radicals into pseudocubical matrix from halide ions [ru

  8. Sample Set (SE): SE50 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available oids We report that flavonoids with radical scavenging activity mitigate against ox...ress. These data confirm the usefulness of flavonoids for enhancing both biotic and abiotic stress tolerance...SE50 Enhancement of oxidative and drought tolerance in arabidopsis by overaccumulation of antioxidant flavon

  9. Sample Set (SE): SE52 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE52 Mass spectra-based framework for automated structural elucidation of metabolom...e data to explore phytochemical diversity A novel framework for automated elucidation of metabolite structur...te ontology system was also introduced to attain putative characterization of the metabolite signals.The automate

  10. Anisotropy in CdSe quantum rods

    Energy Technology Data Exchange (ETDEWEB)

    Li, Liang-shi [Univ. of California, Berkeley, CA (United States)

    2003-01-01

    The size-dependent optical and electronic properties of semiconductor nanocrystals have drawn much attention in the past decade, and have been very well understood for spherical ones. The advent of the synthetic methods to make rod-like CdSe nanocrystals with wurtzite structure has offered us a new opportunity to study their properties as functions of their shape. This dissertation includes three main parts: synthesis of CdSe nanorods with tightly controlled widths and lengths, their optical and dielectric properties, and their large-scale assembly, all of which are either directly or indirectly caused by the uniaxial crystallographic structure of wurtzite CdSe. The hexagonal wurtzite structure is believed to be the primary reason for the growth of CdSe nanorods. It represents itself in the kinetic stabilization of the rod-like particles over the spherical ones in the presence of phosphonic acids. By varying the composition of the surfactant mixture used for synthesis we have achieved tight control of the widths and lengths of the nanorods. The synthesis of monodisperse CdSe nanorods enables us to systematically study their size-dependent properties. For example, room temperature single particle fluorescence spectroscopy has shown that nanorods emit linearly polarized photoluminescence. Theoretical calculations have shown that it is due to the crossing between the two highest occupied electronic levels with increasing aspect ratio. We also measured the permanent electric dipole moment of the nanorods with transient electric birefringence technique. Experimental results on nanorods with different sizes show that the dipole moment is linear to the particle volume, indicating that it originates from the non-centrosymmetric hexagonal lattice. The elongation of the nanocrystals also results in the anisotropic inter-particle interaction. One of the consequences is the formation of liquid crystalline phases when the nanorods are dispersed in solvent to a high enough

  11. Ultra-thin ZnSe: Anisotropic and flexible crystal structure

    Energy Technology Data Exchange (ETDEWEB)

    Bacaksiz, C., E-mail: cihanbacaksiz@iyte.edu.tr [Department of Physics, Izmir Institute of Technology, 35430 Izmir (Turkey); Senger, R.T. [Department of Physics, Izmir Institute of Technology, 35430 Izmir (Turkey); Sahin, H. [Department of Photonics, Izmir Institute of Technology, 35430 Izmir (Turkey)

    2017-07-01

    Highlights: • Ultra-thin ZnSe is dynamically stable. • Ultra-thin ZnSe is electronically direct-gap semiconductor. • Ultra-thin ZnSe is ultra-flexible. • Ultra-thin ZnSe is mechanically in-plane anisotropic. - Abstract: By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal . The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications.

  12. Ultra-thin ZnSe: Anisotropic and flexible crystal structure

    International Nuclear Information System (INIS)

    Bacaksiz, C.; Senger, R.T.; Sahin, H.

    2017-01-01

    Highlights: • Ultra-thin ZnSe is dynamically stable. • Ultra-thin ZnSe is electronically direct-gap semiconductor. • Ultra-thin ZnSe is ultra-flexible. • Ultra-thin ZnSe is mechanically in-plane anisotropic. - Abstract: By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal . The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications.

  13. Microstructure and thermoelectric properties of CuInSe2/In2Se3 compound

    Science.gov (United States)

    Wang, Kang; Feng, Jing; Ge, Zhen-Hua; Qin, Peng; Yu, Jie

    2018-01-01

    CuInSe2 powders were synthesized by solvothermal method, and then the CuInSe2/In2Se3 bulk samples were fabricated by spark plasma sintering (SPS) technique. To investigate the phase composition, the powders were determined by X-ray diffraction (XRD). The microstructures of the powders and bulk samples were observed by scanning electron microscopy (SEM). The transportation of the electronic properties and thermal conductivity were measured at room temperature to 700 K. According to the results, the CuInSe2 powders appeared in flower-like patterns which ranged from 3 μm to 6 μm. CuInSe2 powders were synthesized at 180∘C with a chalcopyrite structure. The Seebeck coefficient increased significantly in composite thermoelectric materials up to 200μVṡK-1 at 623 K. The thermal conductivity of the sample significantly decreases from the room temperature to 700 K. The CuInSe2 bulk composite by solvothermal method achieves the highest ZT value of 0.187 at 700 K.

  14. One, step electrodeposition of Cu(Ga,In)Se2 thin films from aqueous solution

    Science.gov (United States)

    Fahoume, M.; Boudraine, H.; Aggour, M.; Chraïbi, F.; Ennaoui, A.; Delplancke, J. L.

    2005-03-01

    Cu(In,Ga)Se{2} (CIGS) semiconducting thin films films were prepared by electrodeposition from aqueous solution containing CuCl{2}, InCl{3}, GaCl{3} and H{2}SeO{3}. The deposited material was characterized by cyclic voltammetry. The compositional, structural studies were carried out using scanning electron microscopy (SEM), energy dispersive X-ray microanalysis (EDX), X-ray diffraction (XRD) and transmission electron microscopy (TEM). X-ray analysis showed the formation of CuIn{1-x}GaxSe{2} films, in the optimum conditions, with preferred orientation in the (112) direction. We observed a shift of the peaks to higher angles with increasing x, accounting for a decrease of the lattice constants when In atoms are substituted by Ga atoms. Element mapping and scanline (EDX) indicate that the Cu, In, Ga, and Se elements are homogeneously distributed.

  15. The Influence of Interfaces on Properties of Thin-Film Inorganic Structural Isomers Containing SnSe-NbSe2 Subunits.

    Science.gov (United States)

    Alemayehu, Matti B; Falmbigl, Matthias; Ta, Kim; Johnson, David C

    2015-04-28

    Inorganic isomers ([SnSe]1+δ)m(NbSe2)n([SnSe]1+δ)p(NbSe2)q([SnSe]1+δ)r(NbSe2)s where m, n, p, q, r, and s are integers and m + p + r = n + q + s = 4 were prepared using the modulated elemental reactant technique. This series of all six possible isomers provides an opportunity to study the influence of interface density on properties while maintaining the same unit cell size and composition. As expected, all six compounds were observed to have the same atomic compositions and an almost constant c-axis lattice parameter of ≈4.90(5) nm, with a slight trend in the c-axis lattice parameter correlated with the different number of interfaces in the isomers: two, four and six. The structures of the constituents in the ab-plane were independent of one another, confirming the nonepitaxial relationship between them. The temperature dependent electrical resistivities revealed metallic behavior for all the six compounds. Surprisingly, the electrical resistivity at room temperature decreases with increasing number of interfaces. Hall measurements suggest this results from changes in carrier concentration, which increases with increasing thickness of the thickest SnSe block in the isomer. Carrier mobility scales with the thickness of the thickest NbSe2 block due to increased interfacial scattering as the NbSe2 blocks become thinner. The observed behavior suggests that the two constituents serve different purposes with respect to electrical transport. SnSe acts as a charge donor and NbSe2 acts as the charge transport layer. This separation of function suggests that such heterostructures can be designed to optimize performance through choice of constituent, layer thickness, and layer sequence. A simplistic model, which predicts the properties of the complex isomers from a weighted sum of the properties of building blocks, was developed. A theoretical model is needed to predict the optimal compound for specific properties among the many potential compounds that can be prepared.

  16. Phase diagram of the Sb-Se-I system and thermodynamic properties of SbSeI

    International Nuclear Information System (INIS)

    Aliev, Z.S.; Musaeva, S.S.; Babanly, D.M.; Shevelkov, A.V.; Babanly, M.B.

    2010-01-01

    The Sb-Se-I system was investigated by using the DTA and XRD analyses and EMF measurements with an antimony electrode. The T-x diagram of the binary Sb-I system was accurately redefined. A number of polythermal sections and the projection of the liquidus surface were constructed. The fields of the primary crystallization, as well as the types and coordinates of non- and monovariant equilibria were determined. It is shown that the quasi-binary sections Sb 2 Se 3 -SbI 3 , Sb-SbSeI, SbI 3 -Se, and SbSeI-Se triangulate the Sb-Se-I system, leading to five independent subsystems. A broad area of immiscibility, that overlaps a certain part of the antimony primary crystallization field, was found. From the EMF measurements, the partial molar functions of antimony (ΔG-bar, ΔH-bar, ΔS-bar) as well as standard integral thermodynamic functions of SbSeI were calculated. The latter were found to have the following values: ΔG f,298 0 =-80.12±1.81kJ/mol; ΔH f,298 0 =-77.3±1.8kJ/mol; S 298 0 =155.2±9.5J/(molK).

  17. Phase diagram of the Sb-Se-I system and thermodynamic properties of SbSeI

    Energy Technology Data Exchange (ETDEWEB)

    Aliev, Z S; Musaeva, S S; Babanly, D M [Baku State University, General and Inorganic Chemistry Department (Azerbaijan); Shevelkov, A.V., E-mail: shev@inorg.chem.msu.r [Moscow Lomonosov State University, Chemistry Department (Russian Federation); Babanly, M.B., E-mail: Babanly_mb@rambler.r [Baku State University, General and Inorganic Chemistry Department (Azerbaijan)

    2010-09-03

    The Sb-Se-I system was investigated by using the DTA and XRD analyses and EMF measurements with an antimony electrode. The T-x diagram of the binary Sb-I system was accurately redefined. A number of polythermal sections and the projection of the liquidus surface were constructed. The fields of the primary crystallization, as well as the types and coordinates of non- and monovariant equilibria were determined. It is shown that the quasi-binary sections Sb{sub 2}Se{sub 3}-SbI{sub 3}, Sb-SbSeI, SbI{sub 3}-Se, and SbSeI-Se triangulate the Sb-Se-I system, leading to five independent subsystems. A broad area of immiscibility, that overlaps a certain part of the antimony primary crystallization field, was found. From the EMF measurements, the partial molar functions of antimony ({Delta}G-bar, {Delta}H-bar, {Delta}S-bar) as well as standard integral thermodynamic functions of SbSeI were calculated. The latter were found to have the following values: {Delta}G{sub f,298}{sup 0}=-80.12{+-}1.81kJ/mol; {Delta}H{sub f,298}{sup 0}=-77.3{+-}1.8kJ/mol; S{sub 298}{sup 0}=155.2{+-}9.5J/(molK).

  18. Effect of pressure on the structural properties and electronic band structure of GaSe

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, U.; Olguin, D.; Syassen, K. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Cantarero, A. [Department of Materials Sciences, University of Valencia, 46000 Burjasot (Spain); Hanfland, M. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble (France)

    2007-01-15

    The structural properties of GaSe have been investigated up to 38 GPa by monochromatic X-ray diffraction. The onset of the phase transition from the {epsilon}-GaSe to a disordered NaCl-type structural motif is observed near 21 GPa. Using the experimentally determined lattice parameters of the layered {epsilon}-phase as input, constrained ab-initio total energy calculations were performed in order to optimize the internal structural parameters at different pressures. The results obtained for the nearest-neighbor Ga-Se distance agree with those derived from recent EXAFS measurements. In addition, information is obtained on the changes of Ga-Ga and Se-Se bond lengths which were not accessible to a direct experimental determination yet. Based on the optimized structural parameters, we report calculations of band gap changes of {epsilon}-GaSe under pressure. The optical response and electronic band structure of the metallic high-pressure phase of GaSe are discussed briefly. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Local structure and defect chemistry of [(SnSe)1.15]m(TaSe2) ferecrystals – A new type of layered intergrowth compound

    International Nuclear Information System (INIS)

    Grosse, Corinna; Atkins, Ryan; Kirmse, Holm; Mogilatenko, Anna; Neumann, Wolfgang; Johnson, David C.

    2013-01-01

    Highlights: •The crystal structure of [(SnSe) 1.15 ] m (TaSe 2 ) ferecrystals was analyzed by TEM. •The layers exhibit turbostratic disorder, but we also observed a local ordering. •The structures of the SnSe and TaSe 2 layers are similar to binary SnSe and 2H-TaSe 2 . •An increasing in-plane SnSe grain size with increasing m was observed. •Defect areas with missing, substituted or additional layers were found. -- Abstract: The atomic structure of the family of ferecrystals [(SnSe) 1.15 ] m (TaSe 2 ) (m = 1, 3, and 6) was investigated by means of transmission electron microscopy. The tantalum in the TaSe 2 layers was observed to have trigonal prismatic coordination similar to that found in the 2H polytype of bulk TaSe 2 . The structure of the SnSe constituent was found to be similar to that of orthorhombic α-SnSe. In the compounds with m = 1 and m = 3, regions with a local ordering of the layers along a commensurate axis, similar to the ordering in conventional misfit layer compounds, were observed. However, on a longer range the ferecrystals were found to exhibit a turbostratically disordered structure. Stacking defects were occasionally found in the samples in which a layer is interrupted and the surrounding layers are bent around these defects, while maintaining abrupt interfaces instead of interdiffusing. Volume defects were found in one sample of [(SnSe) 1.15 ] 1 (TaSe 2 ) 1 in which a SnSe layer locally substitutes a part of a TaSe 2 layer without interrupting the surrounding layers

  20. Probing the interaction of flower-like CdSe nanostructure particles targeted to bovine serum albumin using spectroscopic techniques

    International Nuclear Information System (INIS)

    Ju Peng; Fan Hai; Liu Tao; Cui Lin; Ai Shiyun

    2011-01-01

    The interaction between flower-like CdSe nanostructure particles (CdSe NP) and bovine serum albumin (BSA) was investigated from a spectroscopic angle under simulative physiological conditions. Under pH 7.4, CdSe NP could effectively quench the intrinsic fluorescence of BSA via static quenching. The binding constant (K A ) was 6.38, 3.27, and 1.90x10 4 M -1 at 298, 304, and 310 K, respectively and the number of binding sites was 1.20. According to the Van't Hoff equation, the thermodynamic parameters (ΔH o =-77.48 kJ mol -1 , ΔS o =-168.17 J mol -1 K -1 ) indicated that hydrogen bonds and van der Waals forces played a major role in stabilizing the BSA-CdSe complex. Besides, UV-vis and circular dichroism (CD) results showed that the addition of CdSe NP changed the secondary structure of BSA and led to a decrease in α-helix. These results suggested that BSA underwent substantial conformational changes induced by flower-like CdSe nanostructure particles. - Highlights: → Estimate the binding of flower-like CdSe NP to BSA by spectroscopic methods. → Hydrogen bonds and van der Waals forces were the major forces. →Addition of CdSe changed the micro-environmentl of BSA. → Decrease in α-helix of BSA secondary structure induced by CdSe.

  1. Influence of CdTe sub-monolayer stressor on CdSe quantum dot self-assembling in ZnSe

    International Nuclear Information System (INIS)

    Sedova, I.V.; Lyublinskaya, O.G.; Sorokin, S.V.; Sitnikova, A.A.; Solnyshkov, D.D.; Rykhova, O.V.; Toropov, A.A.; Ivanov, S.V.

    2006-01-01

    This paper reports on the attempt to apply the stressor-controlled quantum dot (QD) fabrication technique to the conventional CdSe/ZnSe nanostructures. Super-strained CdTe fractional monolayer (Δa/a∝14% for CdTe/ZnSe) grown on top of the Te-stabilized ZnSe surface prior to deposition of the QD material (CdSe) has been used as a stressor which is expected to affect size, composition and density of CdSe QDs. The grown structures are studied by X-ray diffraction, transmission-electron microscopy, photoluminescence (PL) and PL excitation in comparison with conventional CdSe/ZnSe QDs obtained by a modified migration enhanced epitaxy technique. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Structural and optical properties of nanocrystalline CdSe and Al:CdSe thin films for photoelectrochemical application

    Energy Technology Data Exchange (ETDEWEB)

    Gawali, Sanjay A. [Electrochemical Materials Laboratory, Department of Physics, Shivaji University, Kolhapur - 416 004 (India); Bhosale, C.H., E-mail: bhosale_ch@yahoo.com [Electrochemical Materials Laboratory, Department of Physics, Shivaji University, Kolhapur - 416 004 (India)

    2011-10-03

    Highlights: {yields} The CdSe and Al:CdSe thin films have been successfully deposited by SPT. {yields} Hexagonal cubic structured CdSe and Al: CdSe thin films are observed. {yields} Large number of fine grains, Uniform and compact growth morphology. {yields} Hydrophilic surface nature. {yields} Al:CdSe have better PEC performance than CdSe. - Abstract: Nanocrystalline CdSe and Al:CdSe semiconductor thin films have been successfully synthesized onto amorphous and FTO glass substrates by spray pyrolysis technique. Aqueous solutions containing precursors of Cd and Se have been used to obtain good quality films. The optimized films have been characterized for their structural, morphological, wettability and optical properties. X-ray diffraction (XRD) studies show that the films are polycrystalline in nature with hexagonal crystal structure. Scanning electron microscopy (SEM) studies show that the film surface is smooth, uniform and compact in nature. Water wettability study reveals that the films are hydrophilic behavior. The formation of CdSe and Al:CdSe thin film were confirmed with the help of FTIR spectroscopy. UV-vis spectrophotometric measurement showed a direct allowed band gap lying in the range 1.673-1.87 eV. Output characteristics were studied by using cell configuration n- CdSe/Al:CdSe |1 M (NaOH + Na{sub 2} + S)|C. An efficient solar cell having a power conversion efficiency of 0.38% at illumination 25 mW cm{sup -2} was fabricated.

  3. One-step electrochemical synthesis and photoelectric conversion of a ZnO/Se/RGO composite

    International Nuclear Information System (INIS)

    Wang, Lei; Zhang, Chunyan; Zhang, Shengyi; Niu, Helin; Song, Jiming; Mao, Changjie; Jin, Baokang; Tian, Yupeng

    2015-01-01

    Using Zn(NO 3 ) 2 , H 2 SeO 3 and graphene oxide as precursors, the zinc oxide/selenium/reduced graphene oxide (ZnO/Se/RGO) composite was facilely electrodeposited on the surface of indium tin oxide glass. The conditions for electrochemical synthesis such as electrodeposition potential and electrolyte composition were studied. The morphology and crystallization of the products as-prepared were characterized using scanning electron microscopy (SEM) and x-ray diffractometry (XRD) respectively. The light absorption and conductivity of the products were studied by UV-visible spectroscopy (UV-vis) and electrochemical impedance spectroscopy (EIS). Based on a series of experimental results, the photoelectrical conversion mechanism and effect factors of the products were explored. By means of synergistic action of n-type ZnO, p-type Se and conductive RGO, the ZnO/Se/RGO composite showed excellent photoelectric conversion under visible light irradiation. (paper)

  4. One-dimensional zinc selenophosphates: A{sub 2}ZnP{sub 2}Se{sub 6} (A = K, Rb, Cs)

    Energy Technology Data Exchange (ETDEWEB)

    Haynes, Alyssa S.; Lee, Katherine; Kanatzidis, Mercouri G. [Department of Chemistry, Northwestern University, Evanston, IL (United States)

    2016-09-15

    The new compounds A{sub 2}ZnP{sub 2}Se{sub 6} (A = K, Rb, Cs) were synthesized via molten salt flux syntheses. The crystals feature one-dimensional {sup 1}/{sub ∞}[ZnP{sub 2}Se{sub 6}]{sup 2-} chains charge balanced by alkali metal ions between the chains. K{sub 2}ZnP{sub 2}Se{sub 6} crystallizes in the monoclinic space group P2{sub 1}/c; cell parameters a = 12.537(3) Aa, b = 7.2742(14) Aa, c = 14.164(3) Aa, β = 109.63(3) , Z = 4, and V = 1216.7(4) Aa{sup 3}. Rb{sub 2}ZnP{sub 2}Se{sub 6} and Cs{sub 2}ZnP{sub 2}Se{sub 6} are isotypic, crystallizing in the triclinic space group P anti 1. Rb{sub 2}ZnP{sub 2}Se{sub 6} has cell parameters of a = 7.4944(15) Aa, b = 7.6013(15) Aa, c = 12.729(3) Aa, α = 96.57(3) , β = 105.52(3) , γ = 110.54(3) , Z = 2, and V = 636.6(2) Aa{sup 3}. Cs{sub 2}ZnP{sub 2}Se{sub 6} has cell parameters of a = 7.6543(6) Aa, b = 7.7006(6) Aa, c = 12.7373(11) Aa, α = 97.007(7) , β = 104.335(7) , γ = 109.241(6) , Z = 2, and V = 669.54(10) Aa{sup 3}. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Señas Mexicano

    Directory of Open Access Journals (Sweden)

    Juan F. García Mejía

    2007-01-01

    Full Text Available En este artículo se muestra un sistema que permite el estudio y práctica del Lenguaje de Señas Mexicano (LMS, el cual es el método de comunicación de las personas que padecen un trastorno de procesamiento auditivo. El sistema propuesto en este artículo consta de un guante de tela instrumentado con sensores de flexión, una etapa de acondicionamiento de señales y una tarjeta de adquisición de datos; que en su conjunto constituyen el Hardware. El software esta formado por un programa de adquisición de datos y una interfaz de usuario, ambos codificados en Visual Basic Net. El sistema propuesto se modela por medio del lenguaje de modelado unificado (UML, ya que Visual Basic es un lenguaje orientado a eventos.

  6. Sample Set (SE): SE27 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE27 Effect of agricultural films for cabbage leaf metabolites Investigation of Bra...ssica oleracea var. capitata YR Tenkuu leaf metabolites. 3 growth conditions (covered with normal or UV cut agricultura...l film or no agricultural film), 3 replicates data are examined. Takeshi Ara 1, Naoki Yamamoto 1,

  7. Effect of SbSn additions on the physical characterization of amorphous Se

    Energy Technology Data Exchange (ETDEWEB)

    Abdel-Rahim, Farid M., E-mail: farid.elkhateb@gmail.com [Physics Department, Faculty of Science, Al-Azhar, University, Assiut Branch, Assiut (Egypt); Physics Department, Faculty of Science and Arts, Khulais, King Abdulaziz University (KAU) (Saudi Arabia); Aly, K.A., E-mail: Kamalaly2001@gmail.com [Physics Department, Faculty of Science, Al-Azhar, University, Assiut Branch, Assiut (Egypt); Physics Department, Faculty of Science and Arts, Khulais, King Abdulaziz University (KAU) (Saudi Arabia); Dahshan, A. [Department of Physics, Faculty of Science, Port Said, University, Port Said (Egypt); Physics Department - Faculty of Girls - King Khalid University, Abha (Saudi Arabia)

    2011-08-15

    Highlights: {yields} The present work deals with the incorporation the optical properties of amorphous Se with SbSn. {yields} High accuracy determination of the film thickness and the complex index of refraction. {yields} The allowed non-direct electronic transitions are mainly responsible for the photon absorption in the investigated films. {yields} The changes in the refractive index were discussed in terms of the single-oscillator model (Wemple-DiDomenico relationship). {yields} The obtained results were discussed in terms of the chemical-bond approach. - Abstract: Different compositions of Se{sub 100-x}(SbSn){sub x} (0 {<=} x {<=} 14 at.%) glasses were prepared by the well-known melt quench technique. Thin films of these glasses were prepared by thermal evaporation onto ultrasonic cleaned glass substrate. Transmittance spectra of these films were measured in the wavelength range 400-2500 nm by using Jasco double beam spectrophotometer. A straight forward analysis proposed by Swanepoel, based on the maxima and minima of the transmittance spectra, allows to accurate determination of the film thickness and the complex index of refraction. Increasing SbSn content at the expense of Se atoms is found to affect the refractive index and the extinction coefficient of these films. The refractive indexes were discussed in terms of the single-oscillator Wemple-DiDomenico model. The compositional dependence of the optical band gap for the Se{sub 100-x}(SbSn){sub x} (0 {<=} x {<=} 14 at.%) thin films is discussed in terms of the chemical-bond approach.

  8. The effect of Na on Cu-K-In-Se thin film growth

    Science.gov (United States)

    Muzzillo, Christopher P.; Tong, Ho Ming; Anderson, Timothy J.

    2018-04-01

    Co-evaporation of Cu-KF-In-Se was performed on substrates with varied Na supply. Compositions of interest for photovoltaic absorbers were studied, with ratios of (K + Cu)/In ∼ 0.85 and K/(K + Cu) ∼ 0-0.57. Bare soda-lime glass (SLG) substrates had the highest Na supply as measured by secondary ion mass spectrometry, while SLG/Mo and SLG/SiO2/Mo substrates led to 3x and 3000x less Na in the growing film, respectively. Increased Na supply favored Cu1-xKxInSe2 (CKIS) alloy formation as proven by X-ray diffraction (XRD), while decreased Na supply favored the formation of CuInSe2 + KInSe2 mixed-phase films. Scanning electron microscopy and energy dispersive X-ray spectroscopy revealed the KInSe2 precipitates to be readily recognizable planar crystals. Extrinsic KF addition during film growth promoted diffusion of Na out from the various substrates and into the growing film, in agreement with previous reports. Time-resolved photoluminescence showed enhanced minority carrier lifetimes for films with moderate K compositions (0.04 interdependency can be used to engineer alkali metal bonding in Cu(In,Ga)(Se,S)2 absorbers to optimize both initial and long-term photovoltaic power generation.

  9. Strongly bound excitons in monolayer PtS2 and PtSe2

    KAUST Repository

    Sajjad, M.; Singh, Nirpendra; Schwingenschlö gl, Udo

    2018-01-01

    Based on first-principles calculations, the structural, electronic, and optical properties of monolayers PtS2 and PtSe2 are investigated. The bond stiffnesses and elastic moduli are determined by means of the spring constants and strain

  10. Heterojunctions formed by annealing of GaSe and InSe layered crystals in zinc vapor

    Directory of Open Access Journals (Sweden)

    Kudrynskyi Z. R.

    2012-12-01

    Full Text Available The article presents a method of creating heterojunc¬tions based on semiconductors with different lattice types. Substrates manufactured from GaSe and InSe layered crystals were annealed in Zn vapor. This way, n-ZnSe–p-GaSe and n-ZnSe–p-InSe heterojunctions were obtained. The obtained heterojunctions are photo¬sensitive in near and infrared spectral regions. This method opens up greate possibilities of producing heterostructures with a desired sensitivity band.

  11. Information letter 2. Information about operation of plants SE-NPP Bohunice and SE-VYZ during February 2005

    International Nuclear Information System (INIS)

    2005-03-01

    In this leaflet results of exploitation of four units of the Bohunice V-1 and V-2 NPPs are presented. The electricity and heat production in February 2005 are reviewed. Within a February 2005 the electricity was produced: 217 GWh (block 1), 281 GWh (block 2), 277 GWh (block 3), 282 GWh (block 4), totally 1057 GWh, and 2271 GWh within a January - February 2005. The heat production in February 2005 was 266 506 GJ, and within a January - February 2005 it was produced 531 849 GJ of heat. On February 17 Slovak minister of economy Pavol Rusko and general director of ENEL Paolo Scaroni signed the agreement on acquisition of 66 per cent of Slovenske elektrarne (SE) by Italian ENEL for 840 million Eur. SE has capacity of around 7 GW (83 per cent of total Slovakian capacity). In 2004 SE generated 26 TWh of electricity. Processing and storage of radioactive wastes in Decommissioning of Nuclear Installations and Spent Fuel and Rad-waste Management (SE-VYZ) is presented. Since beginning of this year 58 fibre-concrete containers have been filled up in Bohunice processing centre of radioactive wastes. Twenty-three pieces of fibre-concrete containers were processed into fibre-concrete containers in Bohunice processing centre of radioactive wastes (BSC RAO) in February 2005. Twenty fibre-concrete containers were stored into Republic storage of radioactive wastes (RU RAO). Total number in RU RAO reached 830 pieces of fibre-concrete containers, which represent 11.53 per cent of storage capacity (7200 containers). Bohunice processing centre of radioactive wastes was put into active operation just before five years

  12. The oxidation states of elements in pure and Ca-doped BiCuSeO thermoelectric oxides

    International Nuclear Information System (INIS)

    Hsiao, Chun-Lung; Qi, Xiaoding

    2016-01-01

    Bi 1−x Ca x CuSeO (x = 0–0.3) was synthesized at 650 °C in an air-tight system flowing with pure argon. The Ca doping resulted in an increase in the thermoelectric figure of merit (ZT) as the consequence of increased carrier concentration. X-ray photoelectron spectroscopy (XPS) was carried out to check the oxidation states in Bi 1−x Ca x CuSeO. The results indicated that in addition to the expected Bi 3+ and Cu 1+ , there existed Bi 2+ and Cu 2+ in the undoped BiCuSeO, whereas in the Ca-doped BiCuSeO, Bi 4+ , Cu 3+ and Cu 2+ were observed. The Ca dopant was confirmed to be in the 2+ oxidation state. Two broad peaks centered at 54.22 and 58.59 eV were recorded in the vicinity around the binding energy of Se 3d. The former is often observed in the Se-containing intermetallics while the latter is often found in the Se-containing oxides, indicating that along with the expected Se–Cu bonding, a bonding between Se and O may also exist. Based on the XPS results, the charge compensation mechanisms were proposed for Bi 1−x Ca x CuSeO, which may shed some light on the origins of charge carriers. BiCuSeO based oxides have recently be discovered to have a large ZT comparable to the best alloys currently in use, because of the large Seebeck coefficient and small thermal conductivity. However, their electrical conductivity is lower compared to the best thermoelectrics. This work may provide some hints for the further improvement of ZT in BiCuSeO based oxides. - Graphical abstract: The oxidation states, charge compensation mechanisms, and origins of charge carriers in Bi 1−x Ca x CuSeO thermoelectrics. Display Omitted

  13. Band structure, band offsets, substitutional doping, and Schottky barriers of bulk and monolayer InSe

    Science.gov (United States)

    Guo, Yuzheng; Robertson, John

    2017-09-01

    We present a detailed study of the electronic structure of the layered semiconductor InSe. We calculate the band structure of the monolayer and bulk material using density functional theory, hybrid functionals, and G W . The band gap of the monolayer InSe is calculated to be 2.4 eV in screened exchange hybrid functional, close to the experimental photoluminescence gap. The electron affinities and band offsets are calculated for vertical stacked-layer heterostructures, and are found to be suitable for tunnel field effect transistors (TFETs) in combination with WS e2 or similar. The valence-band edge of InSe is calculated to lie 5.2 eV below the vacuum level, similar to that for the closed shell systems HfS e2 or SnS e2 . Hence InSe would be suitable to act as a p -type drain in the TFET. The intrinsic defects are calculated. For Se-rich layers, the Se adatom (interstitial) is found to be the most stable defect, whereas for In-rich layers, the Se vacancy is the most stable for the neutral state. Antisites tend to have energies just above those of vacancies. The Se antisite distorts towards a bond-breaking distortion as in the EL2 center of GaAs. Both substitutional donors and acceptors are calculated to be shallow, and effective dopants. They do not reconstruct to form nondoping configurations as occurs in black phosphorus. Finally, the Schottky barriers of metals on InSe are found to be strongly pinned by metal induced gap states (MIGS) at ˜0.5 eV above the valence-band edge. Any interfacial defects would lead to a stronger pinning at a similar energy. Overall, InSe is an effective semiconductor combining the good features of 2D (lack of dangling bonds, etc.) with the good features of 3D (effective doping), which few others achieve.

  14. Thermoelectric study of Ag doped SnSe-Sb2Se3 based alloy

    Science.gov (United States)

    Das, Anish; Talukdar, M.; Kumar, Aparabal; Sarkar, Kalyan Jyoti; Dhama, P.; Banerji, P.

    2018-05-01

    In this article we have synthesized p-type alloy of SnSe and Sb2Se3 (10 atomic %) to study the thermoelectric transport properties. The alloy was prepared by melt grown technique followed by spark plasma sintering and latter doped with 2 atomic % Ag to compensate the carrier density in order to achieve higher electrical conductivity (σ). Out of these, the doped sample resulted in the maximum figure of merit, ZT˜0.7 at 773 K due to the existence of the secondary phase AgSbSe2 and reduced lattice thermal conductivity (0.61 W m-1 K-1 at 300 K). The fitted lattice thermal conductivity shows that point defect and Umklapp scattering are the primary process of phonon scattering for all the samples whereas the fitted mobility data confirms acoustic phonon scattering along with point defect and grain boundary scattering to be the main carrier scattering mechanism. More over room temperature carrier density and electrical conductivity are found to increase for the doped sample which further corroborate (90%)SnSe-(10%)Sb2Se3:2%Ag to be a potential candidate for highly efficient thermoelectric materials.

  15. Optical properties of thermally annealed CdZnSe/ZnSe quantum dots

    International Nuclear Information System (INIS)

    Margapoti, Emanuela

    2010-01-01

    To analyse the diffusion characteristics, photoluminescence (PL) spectroscopy has been carried out in extensive detail on single, as well as, ensembles of thermally annealed (TA) CdSe/ZnSe QDs. For a series of QD-ensembles, each annealed for t A = 30 s at temperatures from T A = 300-550 C, the change in the QD-composition has been calculated from the blue-shift of the exciton ground-state PL-emission, using a concentration function based on Fick's laws of diffusion. The diffusion length (L D ) and the activation energy (E A ) have been determined thereof. For the studied QDs, E A has been evaluated to be 2.2 eV. Additionally, TA results also in an enhancement of the PL-intensity and reduction of the full-width-at-half maximum (FWHM) of the spectra. This point towards an increased homogeneity of the QD-size and composition, and decrease in the concentration of defects around the QDs. For single CdSe/ZnSe QDs, TA has been varied from 100-240 C, in steps for 20 C, with t A kept fixed at 30 s. Finally, the evolution of the magneto-optic response with post-growth thermal annealing has been studied for both individual QDs and QD-ensembles. An external magnetic field, applied perpendicular to the plane of the QDs (Faraday configuration), results in Zeeman spin splitting of the ground exciton state. The emissions from the Zeeman-split states are left and right circularly polarized and from the degree of circular polarization (DCP), as well as, the spectral separation of the PL-peaks, the g-factor can be estimated. For CdSe/ZnSe QD-ensembles, the g-factor has been observed to change sign with TA. (orig.).

  16. Optical properties of thermally annealed CdZnSe/ZnSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Margapoti, Emanuela

    2010-07-01

    To analyse the diffusion characteristics, photoluminescence (PL) spectroscopy has been carried out in extensive detail on single, as well as, ensembles of thermally annealed (TA) CdSe/ZnSe QDs. For a series of QD-ensembles, each annealed for t{sub A} = 30 s at temperatures from T{sub A} = 300-550 C, the change in the QD-composition has been calculated from the blue-shift of the exciton ground-state PL-emission, using a concentration function based on Fick's laws of diffusion. The diffusion length (L{sub D}) and the activation energy (E{sub A}) have been determined thereof. For the studied QDs, E{sub A} has been evaluated to be 2.2 eV. Additionally, TA results also in an enhancement of the PL-intensity and reduction of the full-width-at-half maximum (FWHM) of the spectra. This point towards an increased homogeneity of the QD-size and composition, and decrease in the concentration of defects around the QDs. For single CdSe/ZnSe QDs, TA has been varied from 100-240 C, in steps for 20 C, with t{sub A} kept fixed at 30 s. Finally, the evolution of the magneto-optic response with post-growth thermal annealing has been studied for both individual QDs and QD-ensembles. An external magnetic field, applied perpendicular to the plane of the QDs (Faraday configuration), results in Zeeman spin splitting of the ground exciton state. The emissions from the Zeeman-split states are left and right circularly polarized and from the degree of circular polarization (DCP), as well as, the spectral separation of the PL-peaks, the g-factor can be estimated. For CdSe/ZnSe QD-ensembles, the g-factor has been observed to change sign with TA. (orig.).

  17. Thermally stimulated properties in ZnSe:Tb and ZnSe:(Mn, Tb) phosphors

    Science.gov (United States)

    Mishra, A. K.; Mishra, S. K.; Pandey, S. P.; Lakshmi Mishra, Kshama

    2018-02-01

    Thermoluminescence studies were performed of ZnSe:Tb and ZnSe:(Mn, Tb) phosphors. A method of preparation for ZnSe phosphors doped with Tb and (Mn, Tb) has been discussed. The thermoluminescence (TL) properties of these phosphors have been studied from 100 to 370 K temperature after exciting by UV radiation (365 nm) at three uniform heating rates 0.4, 0.6 and 0.9 K/s. The trapping parameters like trap depth, lifetime of electrons and capture cross-section have also been determined using various methods.

  18. On the Molecular Structure of GexSbxSe1-2x glasses

    Science.gov (United States)

    Gunasekera, K.; Boolchand, P.; Jackson, A.

    2010-03-01

    The GexSbxSe100-2x ternary is isovalent to the phase-change material, GexSbxTe100-2x , except the Selenides can be prepared as bulk alloy glasses while the Tellurides exist only as amorphous thin-films. Here we report on the Selenides synthesized over a wide composition range, 0 modulated-DSC, Raman scattering and molar volume experiments. The enthalpy of relaxation at Tg shows the opening of a reversibility window or Intermediate Phase (IP) in the 13% 18.18%, the chemical threshold, and are thought to result from homopolar bonds. Ab-initio cluster calculations place pyramidal SbSe3 units and ethylene-like Sb2Se2 units to reveal Raman activity near 215 cm-1 and 228 cm-1 respectively. Evolution of glass structure with composition x will be discussed.

  19. Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

    2017-10-17

    We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving κInSe< κGaSe< κGaS. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, thermal transport is governed by in-plane vibrations in InSe, GaSe and GaS, similar to buckled monolayer materials such as silicene. Alloying of InSe, GaSe and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ~2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.

  20. Sample Set (SE): SE59 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available idopsis thaliana (Arabidopsis). However, the behavior of flavonoids during drough...t stress is still not well documented. Herein we investigated the time-series alternation of flavonoids in t...vonoids, a class of specialized metabolites, including flavonols and anthocyanins w...SE59 Alternation of flavonoid accumulation under drought stress in Arabidopsis thaliana We reported that fla

  1. Intercalation compounds of NbSe2 und SnSe2. Model systems for low-dimensional superconductors

    International Nuclear Information System (INIS)

    Herzinger, Michael

    2013-01-01

    Quasi-two-dimensional (2D) metal dichalcogenides have received considerable research interest since their complex anisotropic electronic properties can be controlled by the intercalation of donor species. Although layered dichalcogenides have been studied by many aspects of chemical and physical properties, their two-dimensional character is only poorly understood. The present work deals with the layer-shaped dichalcogenides SnSe 2 and NbSe 2 . The host-material SnSe 2 was synthesized by chemical transport with Iodine as transport agent in sealed quartz ampoules. The intercalation of the semiconducting layered single crystals SnSe 2 with the organometallic compound cobaltocene (CoCp 2 ) leads to superconductivity up to T = 8 K. Ex-situ intercalation studies show an intercalation-mechanism outgoing from the host material 2H-SnSe 2 in a stage-2 phase which goes over in a stage-1 phase for higher intercalation degrees. In addition, SnSe 2 {CoCp 2 } x show remarkable low-temperature properties e.g. the coexistence of superconductivity and magnetism in dependence of the staging and cobaltocene-content of the material. Starting from an intercalation degree of 17% CoCp 2 long range ordered magnetism (with increasing saturation magnetization) was observed in 18R-SnSe 2 {CoCp 2 } x . Furthermore SnSe 2 {CoCp 2 } x show an extremely sensitive superconducting pinning behavior in very small magnetic fields partially below B 2 -content. A phase diagram was developed in dependence of the degree of intercalation over the whole range of intercalation between 0 % and 33 %. For comparison of the low-temperature character of SnSe 2 {CoCp 2 } x , another layer-shaped superconductor NbSe 2 was intercalated with CoCp 2 . The layered high-k s-wave superconductor 2H-NbSe 2 belongs to the most prominent low-dimensional materials studied during the past fifty years. After the discovery of the high temperature superconductor MgB 2 , a benchmark system for multi-band superconductivity, NbSe 2

  2. Formation and properties of epitaxial CdSe, ZnSe quantum dots. Conventional molecular beam epitaxy and related techniques

    International Nuclear Information System (INIS)

    Mahapatra, Suddhasatta

    2008-01-01

    This thesis systematically investigates three such alternative approaches, along with conventional MBE, with emphasis on the formation-mechanism of QDs, and optimization of their morphological and optical attributes. it is shown here that no distinct 3D islands are formed in MBE growth of CdSe on ZnSe. While CdSe heteroepitaxy occurs in the multilayer-mode at T G =300 C, a reentrant recovery of the layer-by-layer mode is reported in this thesis, for growth at T G D =230 C). The process steps of the third variant technique, developed in course of this work, are very similar to those of the previous one-the only alteration being the substitution of selenium with tellurium as the cap-forming-material. (orig.)

  3. g-factor of the ground state of 73Se

    International Nuclear Information System (INIS)

    Nishimura, Katsuhiko; Ohya, Susumu; Mutsuro, Naoshi

    1987-01-01

    Nuclear magnetic resonance on oriented 73 Se in an iron host has been observed at about 7mK. From resonance-shift measurement, the magnetic hyperfine-splitting frequency μ M , g-factor and magnetic hyperfine field were derived as μ M =102.61(3)MH z , |g(9/2 + )|=0.188(16) and B HF ( 73 SeFe)=716(81)kG. The experimental values of the g-factors of the g 9/2 neutron states, in the neighborhood of the neutron number 40, are compared with the theoretical values based on the core-polarization model. (author)

  4. Simultaneous speciation of arsenic (As(III), MMA, DMA, and As(V)) and selenium (Se(IV), Se(VI), and SeCN{sup -}) in petroleum refinery aqueous streams

    Energy Technology Data Exchange (ETDEWEB)

    Tonietto, Gisele B.; Godoy, Jose M.; Oliveira, Ana Cristina [Pontificia Universidade Catolica do Rio de Janeiro, Rio de Janeiro, RJ (Brazil); Souza, Marcia V. de [Petrobras/Cenpes, Research and Development Center, Rio de Janeiro (Brazil)

    2010-07-15

    High-performance liquid chromatography (HPLC) coupled to an ICP-MS with an octapole reaction system (ORS) has been used to carry out quantitative speciation of selenium (Se) and arsenic (As) in the stream waters of a refining process. The argon dimers interfering with the {sup 78}Se and {sup 80}Se isotopes were suppressed by pressurizing the octapole chamber with 3.1 mL min{sup -1} H{sub 2} and 0.5 mL min{sup -1} He. Four arsenic species arsenite - As(III), arsenate (As(V)), monomethylarsonic acid (MMA), and dimethylarsinic acid (DMA) - and three inorganic Se species - selenite Se(IV), selenate Se(VI), and selenocyanate (SeCN{sup -}) - were separated in a single run by ion chromatography (IC) using gradient elution with 100 mmol L{sup -1} NH{sub 4}NO{sub 3}, pH 8.5, adjusted by addition of NH{sub 3}, as eluent. Repeatabilities of peak position and of peak area evaluation were better than 1% and about 3%, respectively. Detection limits (as 3{sigma} of the baseline noise) were 81, 56, and 75 ng L{sup -1} for Se(IV), Se(VI), and SeCN{sup -}, respectively, and 22, 19, 25, and 16 ng L{sup -1} for As(III), As(V), MMA, and DMA, respectively. Calibration curve R {sup 2} values ranged between 0.996 and 0.999 for the arsenic and selenium species. Column recovery for ion chromatography was calculated to be 97 {+-} 6% for combined arsenic species and 98 {+-} 3% for combined selenium species. Because certified reference materials for As and Se speciation studies are still not commercially available, in order to check accuracy and precision the method was applied to certified reference materials, BCR 714, BCR 1714, and BCR 715 and to two different refinery samples - inlet and outlet wastewater. The method was successfully used to study the quantitative speciation of selenium and arsenic in petroleum refinery wastewaters. (orig.)

  5. Third-order nonlinear optical properties of GeSe2-Ga2Se3-PbI2 glasses

    International Nuclear Information System (INIS)

    Tang Gao; Liu Cunming; Luo Lan; Chen Wei

    2010-01-01

    The third-order nonlinear optical (NLO) properties of new selenium-based GeSe 2 -Ga 2 Se 3 -PbI 2 glasses have been measured using the optical Kerr effect (OKE) technique, with picosecond and femtosecond laser pulses. The 0.70GeSe 2 -0.15Ga 2 Se 3 -0.15PbI 2 glass has the largest third-order optical nonlinear susceptibility in GeSe 2 -Ga 2 Se 3 -PbI 2 glass system with χ (3) of 5.28x10 12 esu. In addition, the response time of glasses is sub-picosecond, which is predominantly associated with electron cloud. Local structure of the glasses has been identified by using Raman studies, while the origins of the observed nonlinear optical response are discussed. The [Ge(Ga)Se 4 ] tetrahedral and lone-pair electrons from highly polarizable Pb atom in glasses play an important role in enhanced NLO response. These results as well as their good chemical stability indicate that GeSe 2 -Ga 2 Se 3 -PbI 2 glasses are promising materials for photonic applications of third-order nonlinear optical signal processing.

  6. Non-injection and one-pot approach to CdSe: Eu3+ hybrid nanocrystals with tunable photoluminescence from green to red

    International Nuclear Information System (INIS)

    Kong, Lingcan; Chu, Xuefeng; Wang, Chuanxi; Yang, Xiaotian; Zhou, Lei

    2017-01-01

    Europium ion-doped CdSe hybrid nanocrystals (CdSe:Eu 3+ NCs) as a class of new luminescent materials have drawn increasing attention in recent years owing to their remarkable optical properties. In this paper, we report a facile method to prepare CdSe:Eu 3+ NCs using oleic acid (OA) as the capping agent. With this non-injection and one-pot synthesized approach, the formation and surface passivation of CdSe:Eu 3+ NCs are performed simultaneously and result in intrinsic luminescence. The as-prepared CdSe:Eu 3+ NCs are characterized by transmission electron microscopy, X-ray diffraction, and energy-dispersive X-ray spectroscopy (EDX). Their optical properties are also studied by UV–vis and photoluminescence spectra. Moreover, the effects of feed ratios and reaction temperatures on the optical properties are further investigated. The results show that the luminescent spectra of CdSe:Eu 3+ NCs are tunable from green (490 nm) to red (630 nm) and gradually redshift with the increase of the nanoparticle size from 2.5 to 4.4 nm. Upon decoration with 2-thenoyltrifluoroacetone (TTA), the luminescence of europium ion drastically increases and efficient energy transfer from CdSe host to the europium ion is proposed. In addition, an MTT and apoptosis assay show CdSe:Eu 3+ NCs have low cellular toxicity and could be used as fluorescence imaging for human epithelial type 2 (Hep-2) cells. These properties make CdSe:Eu 3+ NCs a potential candidate for biological labeling, immunoassays, and optical sensing.

  7. Determination of the optimal conditions for simultaneous production of 73SE and 75SE radioisotopes in a 30 MeV cyclotron

    International Nuclear Information System (INIS)

    Pejman Rowshanfazad; Amirreza Jalilian; Mahsheed Sabet

    2004-01-01

    Purpose: 73 Se and 75 Se radioisotopes are widely used in medicine, industry and agriculture. 75 Se is used in high activity brachytherapy (1), assessment of pancreatic exocrine function (2, 3), study of bile acids and evaluation of illeal function (4, 5, 6), industrial radiography (7, 8) and as a tracer in the assessment of chemical, biochemical, biophysical processes, metabolic research and agricultural studies. 73 Se is used in pancreas scanning (9), hyperthyroidism diagnosis(10), adrenal scanning (11), tumor detection (12, 13, 14), detection of brain dopamine receptors (15), parathyroid tumor detection (10) and detection of brain blood flow (16). These radioisotopes were selected to be produced in the country according to their wide range of applications. The idea of simultaneous production of 73 Se and 75 Se arouse after the completion of primary studies. Important physical characteristics of these radioisotopes are shown in table l. Methods: 1 Selection of the Best Reaction. Various nuclear reactions which may be used for the production of 73 Se and 75 Se are shown in table 2 (17, 18, 19). Among the above reactions, those which use α and 3 He as the projectile particles were discarded since high energy and high intensity beams of α and 3 He are not available in the country at present. Those reactions which used 74 Se and 76 Se as the target material could not be used, since these isotopes have low isotopic values (0.87% and 9.02% respectively), and their chemical separation processes are difficult, expensive and time-taking, due to the equal chemical properties of the product and the target material (20). Thus 75 As(p, n) 75 Se seemed to be the most appropriate reaction for the production of 75 Se. The 75 As(d, 4n) 73 Se reaction is not as suitable as 75 As(p, 3n) 73 Se, because of the lower radionuclidic purity of the product (18). Thus the best reaction for the production of 73 Se was determined to be 75 As(p, 3n) 73 Se. There was no need for an isotopic

  8. Hydrothermal assisted growth of CdSe nanoparticles and study on its dielectric properties

    Science.gov (United States)

    Jamble, Shweta N.; Ghoderao, Karuna P.; Kale, Rohidas B.

    2017-11-01

    In this work, we have synthesized cadmium selenide (CdSe) nanoparticles by using cadmium chloride (CdCl2) as cadmium ion and sodium selenosulfate (Na2SeSO3) as selenium ion sources through a simple, convenient and cost-effective hydrothermal route at 180 °C temperature for 24 h. Aqueous ammonia was employed as a complex reagent to adjust the pH of the solution. Structural analysis of the obtained product was carried out by using x-ray diffractometer, which revealed that the final product has a cubic structure of CdSe with average crystallite size 13.15 nm. The cauliflower-like CdSe nanostructures were confirmed from the scanning electron microscopy and high-resolution transmission electron microscopy. EDS analysis indicates that the obtained product has a good elemental stoichiometric ratio. The electron diffraction pattern reveals the polycrystalline nature of CdSe. From UV-visible absorption spectral analysis, the optical energy bandgap of CdSe nanoparticles was found to be 1.90 eV. XPS spectra presented Cd 3d3/2, Cd 3d5/2 and Se 3d3/2 peaks at 411.04, 404.29 and 53.52 eV respectively. The CdSe nanoparticles exhibit photoluminescence with two distinct emission bands at 632 nm and 720 nm. FTIR study was used towards the understanding of the formation mechanism and bonding on the surface of the resulting nanoparticles. The dielectric properties of a pelletized sample of CdSe nanoparticles were carried out at room temperature.

  9. Effect of the soil's redox conditions on the mobility of Se

    International Nuclear Information System (INIS)

    Darcheville, O.; Fevrier, L.; Martin-Garin, A.

    2005-01-01

    Full text of publication follows: 79 Se is a long-life fission product found in the nuclear wastes. Understanding its behaviour in soils is of major concern because of its bioavailability with almost all living organisms (plants and animals). This study is part of a wider multi-disciplinary program that aims at studying 'the effect of the geochemical transformations and the microbial activities on the fate of Se in soils' [1]. The first part of this program is focused on the interactions between Se and the organic compartment of soils, including both biotic (microorganisms, plants,...) and abiotic (humic, fulvic substances,...) components. Special attention is paid to their consequence on the mobility of Se. The second part of the study, presented here, aims specifically at understanding the effect of the soil's redox status on the mobility of Se and at identifying the nature of the processes involved (microbiological vs chemical). Different types of experiments are performed under laboratory controlled conditions. They consist in mixing a 2 mm-sieved sandy soil from the Rhone borders (France) with radio-labelled selenite ( 75 SeIV). In batch experiments, the soil is incubated in a closed vessel under various atmospheres (O 2 or N 2 ) and amended with specific nutrients in order to create contrasted redox conditions and to stimulate specific microbial communities. These conditions are also used in column experiments to determine their impact on Se mobility. They are completed by varying the degree of water saturation in the column and the structure of the soil. The percolation front of Se is followed in-situ with a mobile gamma detector without disturbing the system. In both experimental designs, mass recoveries of 75 Se are precisely determined in the soil-solution systems thanks to the quantification of Se concentrations in the aqueous, solid and gaseous phases. In addition, the non reversibly sorbed Se fraction is assessed by performing sequential extractions

  10. Complexing in (NH4)2SeO4-UO2SeO4 H2O system

    International Nuclear Information System (INIS)

    Serezhkina, L.B.

    1994-01-01

    Isotherm of solubility in the (NH 4 ) 2 SeO 4 -UO 2 SeO 4 -H 2 O system has been constructed at 25 deg C. (NH 4 ) 2 (UO 2 ) 2 (SeO 4 ) 3 x6H 2 O formation is established for the first time and certain its physicochemical properties are determined. Regularities of complexing in the R 2 Se) 4 -UO 2 SeO 4 -H 2 O systems, where R-univalent cation are under discussion. 6 refs.; 3 tabs

  11. Production of Se-methylselenocysteine in transgenic plants expressing selenocysteine methyltransferase

    Directory of Open Access Journals (Sweden)

    Harris Hugh

    2004-01-01

    Full Text Available Abstract Background It has become increasingly evident that dietary Se plays a significant role in reducing the incidence of lung, colorectal and prostate cancer in humans. Different forms of Se vary in their chemopreventative efficacy, with Se-methylselenocysteine being one of the most potent. Interestingly, the Se accumulating plant Astragalus bisulcatus (Two-grooved poison vetch contains up to 0.6% of its shoot dry weight as Se-methylselenocysteine. The ability of this Se accumulator to biosynthesize Se-methylselenocysteine provides a critical metabolic shunt that prevents selenocysteine and selenomethionine from entering the protein biosynthetic machinery. Such a metabolic shunt has been proposed to be vital for Se tolerance in A. bisulcatus. Utilization of this mechanism in other plants may provide a possible avenue for the genetic engineering of Se tolerance in plants ideally suited for the phytoremediation of Se contaminated land. Here, we describe the overexpression of a selenocysteine methyltransferase from A. bisulcatus to engineer Se-methylselenocysteine metabolism in the Se non-accumulator Arabidopsis thaliana (Thale cress. Results By over producing the A. bisulcatus enzyme selenocysteine methyltransferase in A. thaliana, we have introduced a novel biosynthetic ability that allows the non-accumulator to accumulate Se-methylselenocysteine and γ-glutamylmethylselenocysteine in shoots. The biosynthesis of Se-methylselenocysteine in A. thaliana also confers significantly increased selenite tolerance and foliar Se accumulation. Conclusion These results demonstrate the feasibility of developing transgenic plant-based production of Se-methylselenocysteine, as well as bioengineering selenite resistance in plants. Selenite resistance is the first step in engineering plants that are resistant to selenate, the predominant form of Se in the environment.

  12. Formation of a Colloidal CdSe and ZnSe Quantum Dots via a Gamma Radiolytic Technique

    Directory of Open Access Journals (Sweden)

    Aeshah Salem

    2016-09-01

    Full Text Available Colloidal cadmium selenide (CdSe and zinc selenide (ZnSe quantum dots with a hexagonal structure were synthesized by irradiating an aqueous solution containing metal precursors, poly (vinyl pyrrolidone, isopropyl alcohol, and organic solvents with 1.25-MeV gamma rays at a dose of 120 kGy. The radiolytic processes occurring in water result in the nucleation of particles, which leads to the growth of the quantum dots. The physical properties of the CdSe and ZnSe nanoparticles were measured by various characterization techniques. X-ray diffraction (XRD was used to confirm the nanocrystalline structure, energy-dispersive X-ray spectroscopy (EDX was used to estimate the material composition of the samples, transmission electron microscopy (TEM was used to determine the morphologies and average particle size distribution, and UV-visible spectroscopy was used to measure the optical absorption spectra, from which the band gap of the CdSe and ZnSe nanoparticles could be deduced.

  13. A one-dimensional Fickian model to predict the Ga depth profiles in three-stage Cu(In,Ga)Se2

    International Nuclear Information System (INIS)

    Rodriguez-Alvarez, H.; Mainz, R.; Sadewasser, S.

    2014-01-01

    We present a one-dimensional Fickian model that predicts the formation of a double Ga gradient during the fabrication of Cu(In,Ga)Se 2 thin films by three-stage thermal co-evaporation. The model is based on chemical reaction equations, structural data, and effective Ga diffusivities. In the model, the Cu(In,Ga)Se 2 surface is depleted from Ga during the deposition of Cu-Se in the second deposition stage, leading to an accumulation of Ga near the back contact. During the third deposition stage, where In-Ga-Se is deposited at the surface, the atomic fluxes within the growing layer are inverted. This results in the formation of a double Ga gradient within the Cu(In,Ga)Se 2 layer and reproduces experimentally observed Ga distributions. The final shape of the Ga depth profile strongly depends on the temperatures, times and deposition rates used. The model is used to evaluate possible paths to flatten the marked Ga depth profile that is obtained when depositing at low substrate temperatures. We conclude that inserting Ga during the second deposition stage is an effective way to achieve this.

  14. Green synthesis of ZnSe and core–shell ZnSe@ZnS nanocrystals (NCs) using a new, rapid and room temperature photochemical approach

    International Nuclear Information System (INIS)

    Molaei, M.; Bahador, A.R.; Karimipour, M.

    2015-01-01

    In this work, ZnSe and core–shell ZnSe@ZnS nanocrystals (NCs) were synthesized using a one-pot, rapid and room temperature photochemical method. UV illumination provided the required energy for the chemical reactions. Synthesized NCs were characterized using X-ray diffraction spectroscopy (XRD), transmission electron microscopy (TEM), UV–vis and photoluminescence (PL) spectroscopy. XRD pattern indicated cubic zinc blende structure for ZnSe NCs and the TEM image indicated round-shaped particles, most of which had a diameter of about 3 nm. Band gap of ZnSe NCs was obtained as about 3.6 eV, which was decreased by increasing the illumination time. Synthesized NCs indicated intensive and narrow emission in the UV-blue area (370 nm) related to the excitonic recombination and a broad band emission with a peak located at about 490 nm originated from the DAP (donor–acceptor pairs) recombination. ZnS shell was grown on ZnSe cores using a reaction based on the photo-sensitivity of Na 2 S 2 O 3 . For ZnSe@ZnS core–shell NCs, XRD diffraction peaks shifted to higher angles. TEM image indicated a shell around cores and most of the ZnSe@ZnS NCs have a diameter of about 5 nm. After the ZnS growth, ZnSe excitonic emission shifted to the longer wavelength and PL intensity was increased considerably. PL QY was obtained about 11% and 17% for ZnSe and ZnSe@ZnS core–shell QDs respectively. - Highlights: • A green photochemical approach was reported for synthesis of ZnSe NCs. • ZnS shell was grown around ZnSe using a new method. • Synthesis method was rapid, simple and at room temperature. • ZnSe NCs indicated a narrow UV-blue and a broad DAP emissions. • PL intensity was increased considerably by ZnS shell growth

  15. XPS, TEM and NRA investigations of Zn(Se,OH)/Zn(OH){sub 2} films on Cu(In,Ga)(S,Se){sub 2} substrates for highly efficient solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Eisele, W.; Ennaoui, A.; Schubert-Bischoff, P.; Giersig, M.; Pettenkofer, C.; Krauser, J.; Lux-Steiner, M. [Hahn-Meitner Inst., Berlin (Germany); Zweigart, S.; Karg, F. [Siemens and Shell Solar, Munich (Germany)

    2003-01-01

    Structural and compositional properties of Zn(Se,OH)/Zn(OH){sub 2} buffer layers deposited by chemical bath deposition(CBD) on Cu(In,Ga)(S,Se){sub 2} (CIGSS) absorbers are investigated. Due to the aqueous nature of the CBD process, oxygen and hydrogen were incorporated into the 'ZnSe' buffer layer mainly in the form of Zn(OH){sub 2} as is shown by X-ray photoelectron spectroscopy and nuclear reaction analysis (NRA) measurements leading to the nomenclature 'Zn(Se,OH)'. Prior to the deposition of Zn(Se,OH), a zinc treatment of the absorber was performed. During that treatment a layer mainly consisting of Zn(OH){sub 2} grew to a thickness of several nanometer. The whole buffer layer therefore consists of a Zn(Se,OH)/Zn(OH){sub 2} structure on CIGSS. Part of the Zn(OH){sub 2} in both layers (i.e. the Zn(Se,OH) and the Zn(OH){sub 2} layer) might be converted into ZnO during measurements or storage. Scanning electron microscopy pictures showed that a complete coverage of the absorber with the buffer layer was achieved. Transmission electron microscopy revealed the different regions of the buffer layer: An amorphous area (possibly Zn(OH){sub 2}) and a partly nanocrystalline area, where lattice planes of ZnSe could be identified. Solar cell efficiencies of ZnO/Zn(Se,OH)/Zn(OH){sub 2}/CIGSS devices exceed 14% (total area).(author)

  16. Cross section measurements of proton capture reactions on Se isotopes relevant to the astrophysical p process

    Science.gov (United States)

    Foteinou, V.; Harissopulos, S.; Axiotis, M.; Lagoyannis, A.; Provatas, G.; Spyrou, A.; Perdikakis, G.; Zarkadas, Ch.; Demetriou, P.

    2018-03-01

    Cross sections of proton capture reactions on 74Se, 78Se, and 80Se have been measured at incident beam energies from 2 to 6 MeV, 1.7 to 3 MeV, and 1.5 to 3.5 MeV, respectively. In the case of Se,8078, cross sections were obtained from in-beam γ -angular distribution measurements, whereas for the 74Se isotope they were derived from off-beam activity measurements. The measured cross sections were compared with calculations performed with the nuclear reaction code talys (version 1.6). A good agreement between theory and experiment was found. Astrophysical S factors and reaction rates deduced from the experimental and calculated cross sections were also compared and the impact of different nuclear ingredients in the calculations on the reaction rates was investigated. It was found that, for certain combinations of nuclear input models, the reaction rates obtained at temperatures relevant to p -process nucleosynthesis differ by a factor 2 at the most, differences that are well within the acceptable deviations of calculated p -nuclei abundances and observations.

  17. Fundamental absorption edge in CuIn5Se8 and CuGa3Se5 single crystals

    International Nuclear Information System (INIS)

    Leon, M.; Merino, J.M.; Levcenko, S.; Nateprov, A.; Tezlevan, V.; Arushanov, E.; Syrbu, N.N.

    2006-01-01

    Optical absorption spectra of CuIn 5 Se 8 and CuGa 3 Se 5 single crystals have been investigated. The energy gap E g for CuIn 5 Se 8 (CuGa 3 Se 5 ) was found to be varied from 1.27(1.79) to 1.21(1.71) eV in the temperature range between 10 and 300 K. The temperature dependence of E g was studied by means of the Einstein model and the Paessler model. The Einstein temperature {222(267)K}, the Debye temperature {310(380)K}, a dimensionless constant related to the electron-phonon coupling {1.62(2.65)} as well as an effective energy {20 (24) meV} and a cut-off phonon energy {35(39) meV} have been estimated for CuIn 5 Se 8 (CuGa 3 Se 5 ). It was also found that the major contribution of phonons to the shift of E g versus temperature in CuIn 5 Se 8 (CuGa 3 Se 5 ) is mainly from optical phonons. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  18. Charge confinements in CdSe-ZnSe symmetric double quantum wells

    International Nuclear Information System (INIS)

    Tit, Nacir; Obaidat, Ihab M

    2008-01-01

    The bound states in the (CdSe) N w (ZnSe) N b (CdSe) N w -ZnSe(001) symmetric double quantum wells are investigated versus the well width (N w ) and the barrier thickness (N b ). A calculation based on the sp 3 s * tight-binding method which includes the spin-orbit interactions is employed to calculate the bandgap energy, quantum-confinement energy, and band structures. The studied systems possess a vanishing valence-band offset (VBO = 0) in consistency with the well known common-anion rule, and a large conduction-band offset (CBO ≅ 1 eV), which plays an essential role in the confinement of electrons within the CdSe wells. The biaxial strain, on the other hand, plays another role in confining the holes at the interfaces (within the well regions) and thus enhancing the radiative efficiency. The induced-strain energy is estimated to be ∼35 meV. More importantly, the results show that, for a fixed barrier thickness, the double wells are able to confine a pair of bound states when they are very thin. By increasing the wells' width (N w ), further, a new pair of states from the conduction-band continuum falls into the wells every time N w hits a multiple of four monolayers (more specifically, for 4n w ≤4(n+1), the number of bound states is 2(n+1), where n is an integer). On the other hand, the barrier thickness (N b ) is shown to have no effect on the number of bound states, but it solely controls their well-to-well interactions. A critical barrier thickness to switch off these latter interactions is estimated to occur at about N crit b ≅ 9 (L crit b ≅ 25∼AA. Rules governing the variation of the quantum-confinement energy versus both barrier thickness (N b ) and well width (N w ) have been derived. Our theoretical results are also shown to have excellent agreement with the available experimental photoluminescence data

  19. AgSbSe{sub 2} and AgSb(S,Se){sub 2} thin films for photovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Garza, J.G. [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Shaji, S. [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Facultad de Ingenieria Mecanica y Electrica, CIIDIT - Universidad Autonoma de Nuevo Leon, Apodaca, Nuevo Leon (Mexico); Rodriguez, A.C.; Das Roy, T.K. [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Krishnan, B., E-mail: kbindu_k@yahoo.com [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Facultad de Ingenieria Mecanica y Electrica, CIIDIT - Universidad Autonoma de Nuevo Leon, Apodaca, Nuevo Leon (Mexico)

    2011-10-01

    Silver antimony selenide (AgSbSe{sub 2}) thin films were prepared by heating sequentially deposited multilayers of antimony sulphide (Sb{sub 2}S{sub 3}), silver selenide (Ag{sub 2}Se), selenium (Se) and silver (Ag). Sb{sub 2}S{sub 3} thin film was prepared from a chemical bath containing SbCl{sub 3} and Na{sub 2}S{sub 2}O{sub 3}, Ag{sub 2}Se from a solution containing AgNO{sub 3} and Na{sub 2}SeSO{sub 3} and Se thin films from an acidified solution of Na{sub 2}SeSO{sub 3}, at room temperature on glass substrates. Ag thin film was deposited by thermal evaporation. The annealing temperature was 350 deg. C in vacuum (10{sup -3} Torr) for 1 h. X-ray diffraction analysis showed that the thin films formed were polycrystalline AgSbSe{sub 2} or AgSb(S,Se){sub 2} depending on selenium content in the precursor films. Morphology and elemental analysis of these films were done using scanning electron microscopy and energy dispersive X-ray spectroscopy. Optical band gap was evaluated from the UV-visible absorption spectra of these films. Electrical characterizations were done using Hall effect and photocurrent measurements. A photovoltaic structure: glass/ITO/CdS/AgSbSe{sub 2}/Al was formed, in which CdS was deposited by chemical bath deposition. J-V characteristics of this structure showed V{sub oc} = 435 mV and J{sub sc} = 0.08 mA/cm{sup 2} under illumination using a tungsten halogen lamp. Preparation of a photovoltaic structure using AgSbSe{sub 2} as an absorber material by a non-toxic selenization process is achieved.

  20. Cultivation and characterization of GaInSe2 crystals

    International Nuclear Information System (INIS)

    Panakhov, T.M.; Kafarova, D.M.

    2013-01-01

    This work is the first systematic study devoted to the growth of GaInSe 2 crystals and their characterization by experimental methods such as X-ray diffraction, electron microscopy transmission with high resolution, sample electron diffraction. By the method of photoelectron roentgen spectroscopy it was studied the chemical structure of the GaInSe 2 crystals and the microprobe analysis indicated that the individual crystals have an excess of gallium. GaInSe 2 crystals were grown by the Bridgman method. Samples were prepared as single crystals by the Bridgman method. Studies showed that the GaInSe 2 crystals are hexagonal ones

  1. The Effect of Indium Content on the Atomic Environment and Cluster Stability of GeSe4Inx=10,15 Glasses

    Directory of Open Access Journals (Sweden)

    Georgios S. E. Antipas

    2015-01-01

    Full Text Available The atomic environments of two chalcogenide glasses, with compositions GeSe4In10 and GeSe4In15, were studied via Reverse Monte Carlo and Density Functional Theory. Indium content demoted Ge–Se bonding in favor of Se-In while the contribution of Se–Se in the first coordination shell order was faint. Upon transition to the richer In glass, there was formation of rich Ge-centered clusters at radial distances further than 4 Å from the RMC box center, which was taken to signify a reduction of Ge–Se interactions. Cluster coordination by Se promoted stability while, very conclusively, In coordination lowered cluster stability by intervening in the Ge–Se and Se–Se networks.

  2. Synthesis of 75Se-2-phenyl-1,2-benzisoselenazol-3(2H)-one (PZ 51; Ebselen). A novel biologically active organo-selenium compound

    International Nuclear Information System (INIS)

    Cantineau, R.; Tihange, G.; Plenevaux, A.; Christiaens, L.; Guillaume, M.; Welter, A.; Dereu, N.

    1986-01-01

    The preparation of 75 Se-ebselen ( 75 Se-PZ 51) in a high radiochemical yield (approx. 40%) and with a specific activity of 240 mCi/mM (8.9 GBq/mM) is described. It entails a very simple, fast and one-pot procedure starting from elemental 75 Se-selenium. 75 Se-diselenosalicylic acid is initially prepared as the key intermediate which is transformed into a corresponding dichloride before reacting with aniline to yield the desired 75 Se-ebselen. Identity and purity of the labelled compound were controlled by comparison in TLC, HPLC and MS with an authentic sample. (author)

  3. Porøse materialer

    DEFF Research Database (Denmark)

    Hansen, Ernst Jan de Place

    2000-01-01

    Dette undervisningsnotat er en samling af noter, der refererer til den indledende del af kurset Materialmekanik og Porøse materailer på Insitut for Bærende Konstruktiner og Materialer (BKM).......Dette undervisningsnotat er en samling af noter, der refererer til den indledende del af kurset Materialmekanik og Porøse materailer på Insitut for Bærende Konstruktiner og Materialer (BKM)....

  4. Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

    Science.gov (United States)

    Wildner, M.; Marinova, D.; Stoilova, D.

    2016-02-01

    The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

  5. Neutrinoless double-β decay of Se82 in the shell model: Beyond the closure approximation

    Science.gov (United States)

    Sen'kov, R. A.; Horoi, M.; Brown, B. A.

    2014-05-01

    We recently proposed a method [R. A. Senkov and M. Horoi, Phys. Rev. C 88, 064312 (2013), 10.1103/PhysRevC.88.064312] to calculate the standard nuclear matrix elements for neutrinoless double-β decay (0νββ) of Ca48 going beyond the closure approximation. Here we extend this analysis to the important case of Se82, which was chosen as the base isotope for the upcoming SuperNEMO experiment. We demonstrate that by using a mixed method that considers information from closure and nonclosure approaches, one can get excellent convergence properties for the nuclear matrix elements, which allows one to avoid unmanageable computational costs. We show that in contrast with the closure approximation the mixed approach has a very weak dependence on the average closure energy. The matrix elements for the heavy neutrino-exchange mechanism that could contribute to the 0νββ decay of Se82 are also presented.

  6. Selenium-assisted controlled growth of graphene–Bi_2Se_3 nanoplates hybrid Dirac materials by chemical vapor deposition

    International Nuclear Information System (INIS)

    Sun, Zhencui; Man, Baoyuan; Yang, Cheng; Liu, Mei; Jiang, Shouzhen; Zhang, Chao; Zhang, Jiaxin; Liu, Fuyan; Xu, Yuanyuan

    2016-01-01

    Graphical abstract: - Highlights: • We synthesize the graphene–Bi_2Se_3 nanoplates hybrid Dirac materials via CVD. • The Se seed layer impels the Bi_2Se_3 plates growing along the lateral direction. • The Se seed layer can supply enough Se atoms to fill the Se vacancies. • The Se seed layer can effectively avoid the interaction of Bi_2Se_3 and the graphene. • The Se seed layer can be used to control the density of the Bi_2Se_3 nanoplates. - Abstract: Se seed layers were used to synthesize the high-quality graphene–Bi_2Se_3 nanoplates hybrid Dirac materials via chemical vapor deposition (CVD) method. The morphology, crystallization and structural properties of the hybrid Dirac materials were characterized by SEM, EDS, Raman, XRD, AFM and HRTEM. The measurement results verify that the Se seed layer on the graphene surface can effectively saturate the surface dangling bonds of the graphene, which not only impel the uniform Bi_2Se_3 nanoplates growing along the horizontal direction but also can supply enough Se atoms to fill the Se vacancies. We also demonstrate the Se seed layer can effectively avoid the interaction of Bi_2Se_3 and the graphene. Further experiments testify the different Se seed layer on the graphene surface can be used to control the density of the Bi_2Se_3 nanoplates.

  7. Effect of molecular intercalation on the local structure of superconducting Nax(NH3)yMoSe2 system

    Science.gov (United States)

    Simonelli, L.; Paris, E.; Wakita, T.; Marini, C.; Terashima, K.; Miao, X.; Olszewski, W.; Ramanan, N.; Heinis, D.; Kubozono, Y.; Yokoya, T.; Saini, N. L.

    2017-12-01

    We have studied the local structure of layered Nax(NH3)yMoSe2 system by Mo K-edge extended X-ray absorption fine structure (EXAFS) measurements performed as a function of temperature. We find that molecular intercalation in MoSe2 largely affects the Mo-Se network while Mo-Mo seems to sustain small changes. The Einstein temperature (ΘE) of Mo-Mo distance hardly changes (∼264 K) indicating that bond strength of this distance remains unaffected by intercalation. On the other hand, Mo-Se distance suffers a softening, revealed by the decrease of ΘE from ∼364 K to ∼350 K. The results indicate that Na+ ion transported by NH3 molecules may enter between the two MoSe-layers resulting reduced Se-Se coupling. Therefore, increased hybridization between Se 4p and Mo 4d orbitals due to inter-layer disorder is the likely reason of metallicity in intercalated MoSe2 and superconductivity at low temperature.

  8. Shear bond strength of three adhesive systems to enamel and dentin of permanent teeth

    Directory of Open Access Journals (Sweden)

    Niloofar Shadman

    2012-01-01

    Full Text Available Background and Aims: The purpose of this experimental study was to investigate the shear bond strength of three new adhesive systems to enamel and dentin of permanent human teeth using three new etch and rinse and self-etch adhesive systems.Materials and Methods: Sixty intact caries-free third molars were selected and randomly divided into 6 groups. Flat buccal and lingual enamel and dentin surfaces were prepared and mounted in the acrylic resin perpendicular to the plan of the horizon. Adhesives used in this study were Tetric N-Bond, AdheSE and AdheSE-One F (Ivoclar/Vivadent, Schaan, Liechtenstein. The adhesives were applied on the surfaces and cured with quartz tungsten halogen curing unit (600 mW/cm2 intensity for 20 s. After attaching composite to the surfaces and thermocycling (500 cycles, 5-55ºC, shear bond strength was measured using a universal testing machine at a crosshead speed of 0.5 mm/min. The failure modes were examined under a stereomicroscope. The data were statistically analyzed using T-test, one-way ANOVA, Tukey and Fisher's exact tests.Results: In enamel, Tetric N-Bond (28.57±4.58 MPa and AdheSE (21.97±7.6 MPa had significantly higher bond strength than AdheSE-One F (7.16±2.09 MPa (P0.05.Conclusion: Shear bond strength to dentin in Tetric N-Bond (etch and rinse system( was higher than self-etch adhesives (AdheSE and AdheSE-One F. The bond strength to enamel and dentin in two-step self-etch (AdheSE was higher than one-step self-etch (AdheSE-One F.

  9. Synthesis and properties of new CdSe-AgI-As{sub 2}Se{sub 3} chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Kassem, M. [Univ Lille Nord de France, F-59000 Lille (France); ULCO, LPCA, EAC CNRS 4493 F-59140 Dunkerque (France); Le Coq, D., E-mail: david.lecoq@univ-littoral.fr [Univ Lille Nord de France, F-59000 Lille (France); ULCO, LPCA, EAC CNRS 4493 F-59140 Dunkerque (France); Fourmentin, M.; Hindle, F.; Bokova, M.; Cuisset, A.; Masselin, P.; Bychkov, E. [Univ Lille Nord de France, F-59000 Lille (France); ULCO, LPCA, EAC CNRS 4493 F-59140 Dunkerque (France)

    2011-02-15

    Research highlights: {yields} Determination of the glass-forming region in the pseudo-ternary CdSe-AgI-As{sub 2}Se{sub 3} system. {yields} Characterization of macroscopic properties of the new CdSe-AgI-As{sub 2}Se{sub 3} glasses. {yields} Far infrared transmission of chalcogenide glasses. {yields} Characterization of the total conductivity of CdSe-AgI-As{sub 2}Se{sub 3} glasses. -- Abstract: The glass-forming region in the pseudo-ternary CdSe-AgI-As{sub 2}Se{sub 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{sub g}), crystallisation (T{sub x}), and melting (T{sub m}) temperatures are reported and used to calculate their {Delta}T = T{sub x} - T{sub g} and their Hruby, H{sub r} = (T{sub x} - T{sub g})/(T{sub m} - T{sub x}), criteria. Evolution of the total electrical conductivity {sigma} and the room temperature conductivity {sigma}{sub 298} was also studied. The terahertz transparency domain in the 50-600 cm{sup -1} region was pointed for different chalcogenide glasses (ChGs) and the potential of the THz spectroscopy was suggested to obtain structural information on ChGs.

  10. Effect of dietary sodium selenite, Se-enriched yeast and Se-enriched Chlorella on egg Se concentration, physical parameters of eggs and laying hen production

    Czech Academy of Sciences Publication Activity Database

    Skřivan, M.; Šimáně, J.; Dlouhá, G.; Doucha, Jiří

    2006-01-01

    Roč. 51, č. 4 (2006), s. 163-167 ISSN 1212-1819 Institutional research plan: CEZ:AV0Z50200510 Keywords : sodium selenite * se-yeast * se-chlorella Subject RIV: EE - Microbiology, Virology Impact factor: 0.421, year: 2006

  11. Effect of the ITO substrate on the growth of Cu(In,Ga)Se{sub 2}, CuGa{sub 3}Se{sub 5}, CuGa{sub 5}Se{sub 8} and CuIn{sub 3}Se{sub 5} thin films by flash evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Friedrich, E J; Merino, J M; Leon, M [Department of Applied Physics, Universidad Autonoma de Madrid (UAM), Cantoblanco, 28049 Madrid (Spain); Trigo, J F; Guillen, C [Department of Energy, CIEMAT, Avda Complutense, 22, 28040 Madrid (Spain); Ramiro, J, E-mail: josue.friedrich@uam.e [Department of Theory of Signal and Communications, URJC, Campus Fuenlabrada, 122, 28943 Madrid (Spain)

    2009-04-21

    Structural, compositional, electrical and morphological properties of CuIn{sub 1-x}Ga{sub x}Se{sub 2} (x = 0.15, 0.30) and ordered defect compounds (ODC) CuGa{sub 3}Se{sub 5}, CuGa{sub 5}Se{sub 8}, CuIn{sub 3}Se{sub 5} thin films grown by flash evaporation onto soda lime glass substrates (SLG) and ITO/SLG have been studied. Polycrystalline thin films with accentuated preferential orientation in the (1 1 2) plane of the tetragonal structure have been obtained. Annealing in Se atmosphere improves the structural, morphological, electrical and optical properties of the evaporated films, but provokes the formation of a CuIn{sub x}Se{sub y} phase on the surface of the films. Band gap values ranging between 1.01 and 1.21 eV have been obtained for the as-grown CuIn{sub 1-x}Ga{sub x}Se{sub 2} thin films and between 1.09 and 2.01 eV for the CuGa{sub 3}Se{sub 5}, CuGa{sub 5}Se{sub 8} and CuIn{sub 3}Se{sub 5} thin films.

  12. Cu(InGa)Se{sub 2} absorber formation by in-situ, low-temperature annealing of co-evaporated bilayer (InGa){sub 2}Se{sub 3}/CuSe precursors

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Kyeongchan; Kim, Woo Kyoung, E-mail: wkim@ynu.ac.kr

    2015-12-01

    Chalcopyrite Cu(InGa)Se{sub 2} (CIGS) absorbers were fabricated by the formation of bilayer stacked glass/Mo/(InGa){sub 2}Se{sub 3}/CuSe precursors followed by in-situ thermal annealing at 450 °C for approximately 10 min in a vacuum evaporator. The material properties (e.g., crystal orientation, compositional depth profile, and overall composition) and device performance of the resulting CIGS absorbers were compared with those of the CIGS absorbers formed by conventional 1-stage and 3-stage CIGS formation processes at a similar temperature. X-ray diffraction confirmed that the 1-stage co-evaporation and in-situ annealing of the bilayer precursor produced a polycrystalline CIGS absorber without a specific texture, whereas the CIGS absorber formed by the 3-stage process showed a highly (220) preferred orientation. Secondary ion mass spectrometry revealed Ga accumulation at the bottom of CIGS formed by in-situ annealing of the bilayer precursors. The cell efficiency of the device with the CIGS absorber formed by the in-situ, low-temperature (450 °C) annealing of bilayer stacked glass/Mo/(InGa){sub 2}Se{sub 3}/CuSe precursors was comparable to that produced by the conventional 3-stage process at a similar temperature. - Highlights: • Annealing of (InGa){sub 2}Se{sub 3}/CuSe precursors was compared with coevaporation process. • In-situ annealing of (InGa){sub 2}Se{sub 3}/CuSe precursors at 450 °C produced about 9% solar cell. • Ga profile within Cu(InGa)Se{sub 2} depended on process profile during co-evaporation.

  13. Electronic properties of mixed molybdenum dichalcogenide MoTeSe: LCAO calculations and Compton spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ahuja, Ushma [Department of Electrical Engineering, Veermata Jijabai Technological Institute, H. R. Mahajani Marg, Matunga (East), Mumbai 400019, Maharashtra (India); Kumar, Kishor; Joshi, Ritu [Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313001, Rajasthan (India); Bhavsar, D.N. [Department of Physics, Bhavan' s Seth R.A. College of Science, Khanpur, Ahmedabad 380001, Gujarat (India); Heda, N.L., E-mail: nlheda@yahoo.co.in [Department of Pure and Applied Physics, University of Kota, Kota 324007, Rajasthan (India)

    2016-07-01

    We have employed linear combination of atomic orbitals (LCAO) method to compute the Mulliken’s population (MP), energy bands, density of states (DOS) and Compton profiles for hexagonal MoTeSe. The density functional theory (DFT) and hybridization of Hartree-Fock with DFT (B3LYP) have been used within the LCAO approximation. Performance of theoretical models has been tested by comparing the theoretical momentum densities with the experimental Compton profile of MoTeSe measured using {sup 137}Cs Compton spectrometer. It is seen that the B3LYP prescription gives a better agreement with the experimental data than other DFT based approximations. The energy bands and DOS depict an indirect band gap character in MoTeSe. In addition, a relative nature of bonding in MoTeSe and its isovalent MoTe{sub 2} is discussed in terms of equal-valence-electron-density (EVED) profiles. On the basis of EVED profiles it is seen that MoTeSe is more covalent than MoTe{sub 2}.

  14. Magnetism and magnetocrystalline anisotropy in single-layer PtSe{sub 2}: Interplay between strain and vacancy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wei, E-mail: zhangw@nfpc.edu.cn; Tao, Qiu Chen; Song, Xiao Jiao; Li, Hao [Physicochemical Group of Department of Criminal Science and Technology, Nanjing Forest Police College, Nanjing 210023 (China); Guo, Hai Tao; Jiang, Jing [Physicochemical Group of Department of Criminal Science and Technology, Nanjing Forest Police College, Nanjing 210023 (China); National Judicial Authentication Center of Public Security Bureau of State Forestry Bureau, Nanjing Forest Police College, Nanjing 210023 (China); Huang, Jie [Department of Physics and Institute of Theoretical Physics, Nanjing Normal University, Nanjing 210023 (China)

    2016-07-07

    The electronic and magnetic properties of the newly synthesized single-layer (1 L) transition-metal dichalcogenide (TMD) PtSe{sub 2} are studied by first-principles calculations. We find the strain or selenium vacancy (V{sub Se}) alone cannot induce the magnetism. However, an interplay between strain and V{sub Se} leads to the magnetism due to the breaking of Pt-Pt metallic bonds. Different from the case of 1 L-MoS{sub 2} with V{sub S}, the defective 1 L-PtSe{sub 2} has the spatially extended spin density, which is responsible for the obtained long range ferromagnetic coupling. Moreover, the 1 L-PtSe{sub 2} with V{sub Se} undergoes a spin reorientation transition from out-of-plane to in-plane magnetization, accompanying a maximum magnetocrystalline anisotropy energy of ∼9–10.6 meV/V{sub Se}. These results indicate the strain not only can effectively tune the magnetism but also can manipulate the magnetization direction of 1 L-TMDs.

  15. Absorption Spectra of CuGaSe2 and CuInSe2 Semiconducting Nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb; Singh, Nirpendra; Schwingenschlö gl, Udo

    2015-01-01

    The structural and optical properties of the chalcopyrite CunGanSe2n and CunInnSe2n nanoclusters (n = 2, 4, 6, and 8) are investigated as a function of the size using a combination of basin-hopping global optimization and time-dependent density

  16. The Role of Intrinsic and Surface States on the Emission Properties of Colloidal CdSe and CdSe/ZnS Quantum Dots

    Directory of Open Access Journals (Sweden)

    Morello Giovanni

    2007-01-01

    Full Text Available AbstractTime Resolved Photoluminescence (TRPL measurements on the picosecond time scale (temporal resolution of 17 ps on colloidal CdSe and CdSe/ZnS Quantum Dots (QDs were performed. Transient PL spectra reveal three emission peaks with different lifetimes (60 ps, 460 ps and 9–10 ns, from the bluest to the reddest peak. By considering the characteristic decay times and by comparing the energetic separations among the states with those theoretically expected, we attribute the two higher energy peaks to ± 1Uand ± 1L bright states of the fine structure picture of spherical CdSe QDs, and the third one to surface states emission. We show that the contribution of surface emission to the PL results to be different for the two samples studied (67% in the CdSe QDs and 32% in CdSe/ZnS QDs, confirming the decisive role of the ZnS shell in the improvement of the surface passivation.

  17. Non-injection and one-pot approach to CdSe: Eu{sup 3+} hybrid nanocrystals with tunable photoluminescence from green to red

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Lingcan, E-mail: konglingcan2010@163.com [Wuxi Center for Disease Control and Prevention (China); Chu, Xuefeng [Jilin Jianzhu University, Jilin Provincial Key Laboratory of Architectural Electricity & Comprehensive Energy Saving, School of Electrical and Electronic Information Engineering (China); Wang, Chuanxi, E-mail: wangcx@jiangnan.edu.cn [Jiangnan University, China-Australia Joint Research Centre for Functional Molecular Materials, School of Chemical & Material Engineering (China); Yang, Xiaotian [Jilin Jianzhu University, Jilin Provincial Key Laboratory of Architectural Electricity & Comprehensive Energy Saving, School of Electrical and Electronic Information Engineering (China); Zhou, Lei [Wuxi Center for Disease Control and Prevention (China)

    2017-01-15

    Europium ion-doped CdSe hybrid nanocrystals (CdSe:Eu{sup 3+} NCs) as a class of new luminescent materials have drawn increasing attention in recent years owing to their remarkable optical properties. In this paper, we report a facile method to prepare CdSe:Eu{sup 3+} NCs using oleic acid (OA) as the capping agent. With this non-injection and one-pot synthesized approach, the formation and surface passivation of CdSe:Eu{sup 3+} NCs are performed simultaneously and result in intrinsic luminescence. The as-prepared CdSe:Eu{sup 3+} NCs are characterized by transmission electron microscopy, X-ray diffraction, and energy-dispersive X-ray spectroscopy (EDX). Their optical properties are also studied by UV–vis and photoluminescence spectra. Moreover, the effects of feed ratios and reaction temperatures on the optical properties are further investigated. The results show that the luminescent spectra of CdSe:Eu{sup 3+} NCs are tunable from green (490 nm) to red (630 nm) and gradually redshift with the increase of the nanoparticle size from 2.5 to 4.4 nm. Upon decoration with 2-thenoyltrifluoroacetone (TTA), the luminescence of europium ion drastically increases and efficient energy transfer from CdSe host to the europium ion is proposed. In addition, an MTT and apoptosis assay show CdSe:Eu{sup 3+} NCs have low cellular toxicity and could be used as fluorescence imaging for human epithelial type 2 (Hep-2) cells. These properties make CdSe:Eu{sup 3+} NCs a potential candidate for biological labeling, immunoassays, and optical sensing.

  18. Assessment of the anticancer compounds Se-methylselenocysteine and glucosinolates in Se-biofortified broccoli (Brassica oleracea L. var. italica) sprouts and florets.

    Science.gov (United States)

    Ávila, Fabricio William; Faquin, Valdemar; Yang, Yong; Ramos, Silvio Junio; Guilherme, Luiz Roberto G; Thannhauser, Theodore W; Li, Li

    2013-07-03

    Broccoli (Brassica oleracea L. var. italica) is a rich source of chemopreventive compounds. Here, we evaluated and compared the effect of selenium (Se) treatment on the accumulation of anticancer compounds Se-methylselenocysteine (SeMSCys) and glucosinolates in broccoli sprouts and florets. Total Se and SeMSCys content in sprouts increased concomitantly with increasing Se doses. Selenate was superior to selenite in inducing total Se accumulation, but selenite is equally effective as selenate in promoting SeMSCys synthesis in sprouts. Increasing sulfur doses reduced total Se and SeMSCys content in sprouts treated with selenate, but not in those with selenite. Examination of five broccoli cultivars reveals that sprouts generally have better fractional ability than florets to convert inorganic Se into SeMSCys. Distinctive glucosinolate profiles between sprouts and florets were observed, and sprouts contained approximately 6-fold more glucoraphanin than florets. In contrast to florets, glucosinolate content was not affected by Se treatment in sprouts. Thus, Se-enriched broccoli sprouts are excellent for simultaneous accumulation of chemopreventive compounds SeMSCys and glucoraphanin.

  19. Green synthesis of ZnSe and core–shell ZnSe@ZnS nanocrystals (NCs) using a new, rapid and room temperature photochemical approach

    Energy Technology Data Exchange (ETDEWEB)

    Molaei, M., E-mail: m.molaei@vru.ac.ir; Bahador, A.R.; Karimipour, M.

    2015-10-15

    In this work, ZnSe and core–shell ZnSe@ZnS nanocrystals (NCs) were synthesized using a one-pot, rapid and room temperature photochemical method. UV illumination provided the required energy for the chemical reactions. Synthesized NCs were characterized using X-ray diffraction spectroscopy (XRD), transmission electron microscopy (TEM), UV–vis and photoluminescence (PL) spectroscopy. XRD pattern indicated cubic zinc blende structure for ZnSe NCs and the TEM image indicated round-shaped particles, most of which had a diameter of about 3 nm. Band gap of ZnSe NCs was obtained as about 3.6 eV, which was decreased by increasing the illumination time. Synthesized NCs indicated intensive and narrow emission in the UV-blue area (370 nm) related to the excitonic recombination and a broad band emission with a peak located at about 490 nm originated from the DAP (donor–acceptor pairs) recombination. ZnS shell was grown on ZnSe cores using a reaction based on the photo-sensitivity of Na{sub 2}S{sub 2}O{sub 3}. For ZnSe@ZnS core–shell NCs, XRD diffraction peaks shifted to higher angles. TEM image indicated a shell around cores and most of the ZnSe@ZnS NCs have a diameter of about 5 nm. After the ZnS growth, ZnSe excitonic emission shifted to the longer wavelength and PL intensity was increased considerably. PL QY was obtained about 11% and 17% for ZnSe and ZnSe@ZnS core–shell QDs respectively. - Highlights: • A green photochemical approach was reported for synthesis of ZnSe NCs. • ZnS shell was grown around ZnSe using a new method. • Synthesis method was rapid, simple and at room temperature. • ZnSe NCs indicated a narrow UV-blue and a broad DAP emissions. • PL intensity was increased considerably by ZnS shell growth.

  20. Effect of Silver Doping on Transport Properties of Bi2Se3: AgxBi2Se3 and Bi2-xAgxSe3

    Science.gov (United States)

    Zhang, Min; Wei, Zhan-Tao

    2018-03-01

    Ag-doped Bi2Se3 with the formula AgxBi2Se3 and Bi2-xAgxSe3 were prepared and their electrical and magnetic transport properties have been investigated to study the influence of silver doping on transport properties of Bi2Se3 with different Ag-doped method. All samples exhibited metallic resistivity and the resistivity increased with increasing Ag concentration. The lattice parameter c of Ag-substituted and Ag-intercalated samples displays a contrary change as the Ag concentration increased. For the Ag-intercalated samples, both the resistance upturn were observed in the curves of temperature dependent of resistivity and temperature dependent of magnetoresistance, respectively, indicating that the enhanced surface effect was obtained in those samples. Monotonously, field-induced MR peaks around 200 K were also observed in those samples. Similar behaviors were not observed in the Ag-substituted samples.

  1. Effect of Silver Doping on Transport Properties of Bi2Se3: AgxBi2Se3 and Bi2-xAgxSe3

    Science.gov (United States)

    Zhang, Min; Wei, Zhan-Tao

    2018-05-01

    Ag-doped Bi2Se3 with the formula AgxBi2Se3 and Bi2-xAgxSe3 were prepared and their electrical and magnetic transport properties have been investigated to study the influence of silver doping on transport properties of Bi2Se3 with different Ag-doped method. All samples exhibited metallic resistivity and the resistivity increased with increasing Ag concentration. The lattice parameter c of Ag-substituted and Ag-intercalated samples displays a contrary change as the Ag concentration increased. For the Ag-intercalated samples, both the resistance upturn were observed in the curves of temperature dependent of resistivity and temperature dependent of magnetoresistance, respectively, indicating that the enhanced surface effect was obtained in those samples. Monotonously, field-induced MR peaks around 200 K were also observed in those samples. Similar behaviors were not observed in the Ag-substituted samples.

  2. Formation of ZnSe/Bi2Se3 QDs by surface cation exchange and high photothermal conversion

    Directory of Open Access Journals (Sweden)

    Guozhi Jia

    2015-08-01

    Full Text Available Water-dispersed core/shell structure ZnSe/Bi2Se3 quantum dots were synthesized by ultrasonicwave-assisted cation exchange reaction. Only surface Zn ion can be replaced by Bi ion in ZnSe quantum dots, which lead to the ultrathin Bi2Se3 shell layer formed. It is significance to find to change the crystal of QDs due to the acting of ultrasonicwave. Cation exchange mechanism and excellent photothermal conversion properties are discussed in detail.

  3. Use of enriched 74Se and 77Se in combination with isotope pattern deconvolution to differentiate and determine endogenous and supplemented selenium in lactating rats

    International Nuclear Information System (INIS)

    Gonzalez Iglesias, H.; Fernandez Sanchez, M.L.; Garcia Alonso, J.I.; Sanz-Medel, A.

    2007-01-01

    A quantitative methodology has been developed to differentiate between endogenous and supplemented selenium in lactating rats using two enriched selenium isotopes. Lactating rats were fed for 2 weeks with formula milk containing one enriched Se isotope, 77 Se, as the metabolic tracer. The isotopic composition of selenium in serum and urine samples was then measured by collision cell ICP-MS after the addition of a solution containing another enriched isotope, 74 Se, as quantitation tracer, before analysis. Isotope pattern deconvolution allowed the transformation of measured Se isotopic abundances into concentrations of natural abundance (endogenous) selenium and enriched 77 Se (supplemented) present in the samples. The proposed methodology was validated using serum and urine reference materials spiked with both 77 Se and 74 Se. The obtained results are discussed in terms of selenium exchange and half-life in lactating rats (11-12 days) and selenium levels in serum in comparison with non-supplemented rats and control rats after maternal feeding. (orig.)

  4. Absorption Spectra of CuGaSe2 and CuInSe2 Semiconducting Nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2015-10-01

    The structural and optical properties of the chalcopyrite CunGanSe2n and CunInnSe2n nanoclusters (n = 2, 4, 6, and 8) are investigated as a function of the size using a combination of basin-hopping global optimization and time-dependent density functional theory. Although the lowest energy structures are found to show almost random geometries, the band gaps and absorption spectra still are subject to systematic blue shifts for decreasing cluster size in the case of CunGanSe2n, indicating strong electron confinement. The applicability of the nanoclusters in photovoltaics is discussed. © 2015 American Chemical Society.

  5. Electronic structure of ZrX2 (X = Se, Te)

    Science.gov (United States)

    Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.

    2018-03-01

    The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.

  6. Sample Set (SE): SE47 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE47 Metabolomic correlation-network modules in Arabidopsis based on a graph-cluste...as a system. Typical metabolomics data show a few but significant correlations among metabolite levels when ...itions. Although several studies have assessed topologies in metabolomic correlation networks, it remains un... (mto1), and transparent testa4 (tt4) to compare systematically the metabolomic correlation...s in samples of roots and aerial parts. We then applied graph clustering to the constructed correlation

  7. Polytypism and band alignment in ZnSe nanowires revealed by photoluminescence spectroscopy of embedded (Zn,Cd)Se quantum dots

    Science.gov (United States)

    Bieker, S.; Pfeuffer, R.; Kiessling, T.; Tarakina, N.; Schumacher, C.; Ossau, W.; Molenkamp, L. W.; Karczewski, G.

    2015-03-01

    We report on the optical characterization of single (Zn,Cd)Se quantum dots (QDs) embedded in vapor-liquid-solid-grown ZnSe nanowires (NWs). The temperature dependent quenching of the QD luminescence demonstrates that their electronic structure is comparable to that of self-assembled (Zn,Cd)Se QDs in ZnSe matrices. The photoluminescence excitation (PLE) spectrum of single nanowire QDs reveals the presence of both zinc blende (ZB) and wurtzite (WZ) crystal modifications of ZnSe in the NW shafts. PLE provides, therefore, a complementary technique to transmission electron microscopy imaging to reveal polytypism in ZnSe NWs. A transient quenching of the PL emission suggests a type II staggered band alignment at the ZB/WZ interface in our ZnSe NWs.

  8. CdSe/ZnSe quantum dot structures grown by molecular beam epitaxy with a CdTe submonolayer stressor

    International Nuclear Information System (INIS)

    Sedova, I. V.; Lyublinskaya, O. G.; Sorokin, S. V.; Sitnikova, A. A.; Toropov, A. A.; Donatini, F.; Dang, Si Le; Ivanov, S. V.

    2007-01-01

    A procedure for formation of CdSe quantum dots (QDs) in a ZnSe matrix is suggested. The procedure is based on the introduction of a CdTe submonolayer stressor deposited on the matrix surface just before deposition of the material of the QDs. (For CdTe/ZnSe structure, the relative lattice mismatch is Δa/a ∼ 14%.) The stressor forms small strained islands at the ZnSe surface, thus producing local fields of high elastic stresses controlling the process of the self-assembling of the QDs. According to the data of transmission electron microscopy, this procedure allows a considerable increase in the surface density of QDs, with a certain decrease in their lateral dimensions (down to 4.5 ± 1.5 nm). In the photoluminescence spectra, a noticeable (∼150 meV) shift of the peak to longer wavelengths from the position of the reference CdSe/ZnSe QD structure is observed. The shift is due to some transformation of the morphology of the QDs and an increase in the Cd content in the QDs. Comprehensive studies of the nanostructures by recording and analyzing the excitation spectra of photoluminescence, the time-resolved photoluminescence spectra, and the cathodoluminescence spectra show that the emission spectra involve two types of optical transitions, namely, the type-I transitions in the CdSeTe/ZnSe QDs and the type-II transitions caused mainly by the low cadmium content (Zn,Cd)(Se,Te)/ZnSe layer formed between the QDs

  9. Effective mRNA Inhibition in PANC-1 Cells in Vitro Mediated via an mPEG-SeSe-PEI Delivery System.

    Science.gov (United States)

    Zhang, Yuefeng; Yang, Bin; Liu, Yajie; Qin, Wenjie; Li, Chao; Wang, Lantian; Zheng, Wen; Wu, Yulian

    2016-05-01

    RNA interference (RNAi)-mediated gene therapy is a promising approach to cure various diseases. However, developing an effective, safe, specific RNAi delivery system remains a major challenge. In this study, a novel redox-responsive polyetherimide (PEI)-based nanovector, mPEG-SeSe-PEI, was developed and its efficacy evaluated. We prepared three mPEG-SeSe-PEI vector candidates for small interfering glyceraldehyde-3-phosphate dehydrogenase (siGADPH) and determined their physiochemical properties and transfection efficiency using flow cytometry and PEG11.6-SeSe-PEI polymer. We investigated the silencing efficacy of GADPH mRNA expression in PANC-1 cells and observed that PEG11.6-SeSe-PEI/siGADPH (N/P ratio=10) polyplexes possessed the appropriate size and zeta-potential and exhibited excellent in vitro gene silencing effects with the least cytotoxicity in PANC-1 cells. In conclusion, we present PEG11.6-SeSe-PEI as a potential therapeutic gene delivery system for small interfering RNA (siRNA).

  10. Negative ion photoelectron spectroscopy of SeO-

    International Nuclear Information System (INIS)

    Coe, J.V.; Snodgrass, J.T.; Freidhoff, C.B.; McHugh, K.M.; Bowen, K.H.

    1985-01-01

    Negative ion photoelectron spectroscopy (NIPES) involves a kinetic energy analysis of electrons which are photodetached when a mass selected beam of negative ions is crossed with a fixed frequency laser beam. The photodetachment spectra of SeO - displays transitions from the X 2 PI state of SeO - to both the X 3 Σ - and a 1 Δ states of SeO. The singlet-triplet splitting of SeO is readily observable since selection rules regarding spin do not apply in the bound to free state process of photodetachment. The electron affinity of SeO and the negative ion potential parameters of SeO - have been determined

  11. Strongly bound excitons in monolayer PtS2 and PtSe2

    KAUST Repository

    Sajjad, M.

    2018-01-22

    Based on first-principles calculations, the structural, electronic, and optical properties of monolayers PtS2 and PtSe2 are investigated. The bond stiffnesses and elastic moduli are determined by means of the spring constants and strain-energy relations, respectively. Dynamic stability is confirmed by calculating the phonon spectra, which shows excellent agreement with experimental reports for the frequencies of the Raman-active modes. The Heyd-Scuseria-Ernzerhof functional results in electronic bandgaps of 2.66 eV for monolayer PtS2 and 1.74 eV for monolayer PtSe2. G0W0 calculations combined with the Bethe-Salpeter equation are used to predict the optical spectra and exciton binding energies (0.78 eV for monolayer PtS2 and 0.60 eV for monolayer PtSe2). It turns out that the excitons are strongly bound and therefore very stable against external perturbations.

  12. Initial and long-term bond strengths of one-step self-etch adhesives with silane coupling agent to enamel-dentin-composite in combined situation.

    Science.gov (United States)

    Mamanee, Teerapong; Takahashi, Masahiro; Nakajima, Masatoshi; Foxton, Richard M; Tagami, Junji

    2015-01-01

    This study evaluated the effect of adding silane coupling agent on initial and long-term bond strengths of one-step self-etch adhesives to enamel-dentin-composite in combined situation. Cervical cavities were prepared on extracted molars and filled with Clearfil AP-X. After water-storage for one-week, the filled teeth were sectioned in halves to expose enamel, dentin and composite surfaces and then enamel-dentin-composite surface was totally applied with one of adhesive treatments (Clearfil SE One, Clearfil SE One with Clearfil Porcelain Bond Activator, Beautibond Multi, Beautibond Multi with Beautibond Multi PR Plus and Scotchbond Universal). After designed period, micro-shear bond strengths (µSBSs) to each substrate were determined. For each period of water-storage, additive silane treatments significantly increased µSBS to composite (penamel (p>0.05). Moreover, the stability of µSBS was depended on materials and substrates used.

  13. A one-dimensional Fickian model to predict the Ga depth profiles in three-stage Cu(In,Ga)Se{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Alvarez, H., E-mail: humberto.rodriguez@helmholtz-berlin.de [International Iberian Nanotechnology Laboratory, Avenida Mestre Jose Veiga s/n, 4715-330 Braga (Portugal); Helmholtz-Zentrum Berlin, Hahn-Meitner Platz 1, 14109 Berlin (Germany); Mainz, R. [Helmholtz-Zentrum Berlin, Hahn-Meitner Platz 1, 14109 Berlin (Germany); Sadewasser, S. [International Iberian Nanotechnology Laboratory, Avenida Mestre Jose Veiga s/n, 4715-330 Braga (Portugal)

    2014-05-28

    We present a one-dimensional Fickian model that predicts the formation of a double Ga gradient during the fabrication of Cu(In,Ga)Se{sub 2} thin films by three-stage thermal co-evaporation. The model is based on chemical reaction equations, structural data, and effective Ga diffusivities. In the model, the Cu(In,Ga)Se{sub 2} surface is depleted from Ga during the deposition of Cu-Se in the second deposition stage, leading to an accumulation of Ga near the back contact. During the third deposition stage, where In-Ga-Se is deposited at the surface, the atomic fluxes within the growing layer are inverted. This results in the formation of a double Ga gradient within the Cu(In,Ga)Se{sub 2} layer and reproduces experimentally observed Ga distributions. The final shape of the Ga depth profile strongly depends on the temperatures, times and deposition rates used. The model is used to evaluate possible paths to flatten the marked Ga depth profile that is obtained when depositing at low substrate temperatures. We conclude that inserting Ga during the second deposition stage is an effective way to achieve this.

  14. Selenization of mixed metal oxides for dense and ZnSe-free Cu{sub 2}ZnSnSe{sub 4} absorber films

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Yitao; Chen, Guilin; Pan, Bin; Li, JianMin; Jiang, Guoshun; Liu, Weifeng, E-mail: liuwf@ustc.edu.cn; Zhu, Changfei, E-mail: cfzhu@ustc.edu.cn

    2014-04-05

    Highlights: • ZnSe-free CZTSe films with large grains was prepared from mixed oxides nanopraticles. • Appearance of Zn{sub 2}SnO{sub 4} in mixed oxides precursors leads to the absence of ZnSe secondary phrase. • To obtain pure CZTSe phase, different treating temperature was used. -- Abstract: Cu{sub 2}ZnSnSe{sub 4} (CZTSe) films were prepared by direct selenization of Cu{sub 2}O, SnO{sub 2} and Zn{sub 2}SnO{sub 4} precursors. Oxides precursors were prepared by baking hydroxides precipitation. In order to obtain ZnSe-free CZTSe films, Zn{sub 2}SnO{sub 4} was used to replace separated ZnO and SnO{sub 2} as one of the precursors. Through X-ray diffraction (XRD), scanning electron microscopy (SEM), it was found that CZTSe films, with micron-sized dense grains, were obtained in our work. From Raman spectra, it was also found that the ZnSe secondary phase was absent after the selenization. An energy bandgap about 0.86 eV was obtained in our work, which confirmed the Stannite-CZTSe structure.

  15. Pulsed laser deposited heterogeneous mixture of Li2Se-Sb2Se3 nanocomposite as a new storage lithium material

    International Nuclear Information System (INIS)

    Yu Le; Chen Jie; Fu Zhengwen

    2010-01-01

    Li 2 Se-Sb 2 Se 3 nanocomposites with a highly heterogeneous mixture have been fabricated by reactive pulsed laser deposition method. The electrochemical properties of the as-deposited Li 2 Se-Sb 2 Se 3 thin film during the first charging and discharging have been investigated by the galvanostatic cycling and cyclic voltammetry measurements for the first time. By using ex situ X-ray diffraction (XRD), X-ray photoelectron spectra (XPS), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), and selected-area electron diffraction (SAED) measurements, the decomposition of Li 2 Se driven by Sb 2 Se 3 under the electrochemical potential is revealed. In the first cycle, the oxidation peaks at 2.5 V and 3.2 V and the reduction peaks at 2.0 V can be attributed to the decomposition and formation of Li 2 Se with the conversion reaction of Sb 2 Se 3 into Sb 2 Se 5 . Our findings demonstrate that nanocomposite Li 2 Se-Sb 2 Se 3 can possess very high electrochemical activity. These results present a special case of solid-state heterogeneous electrochemistry with both nanostructured binary materials.

  16. One-Pot Synthesis of Cu2ZnSnSe4 Nanoplates and their Visible-Light-Driven Photocatalytic Activity

    Science.gov (United States)

    Han, Zhenzhen; Li, Nan; Shi, Aihua; Wang, Haohua; Ma, Feng; Lv, Yi; Wu, Rongqian

    2018-01-01

    A SeO2 ethanol solution as the facile precursor has been used for the preparation of quaternary Cu2ZnSnSe4 (CZTSe) nanoplates. Monodispersed single-phase CZTSe nanoplates have been prepared successfully by a facile one-pot thermal chemical method. The as-prepared CZTSe nanoplates show uniform morphology with a bandgap of 1.4 eV. As a proof of concept, the CZTSe nanoplates have been used as a visible-light-driven photocatalyst for Rhodamine B dye degradation and show high photocatalytic activity and stability. The excellent dye removal is mainly ascribed to the efficient light utilization of CZTSe nanoplates.

  17. Properties of different temperature annealed Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films prepared by RF sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Yu Zhou; Liu Lian; Yan Yong; Zhang Yanxia; Li Shasha; Yan Chuanpeng; Zhang Yong [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education of China, Superconductivity and New Energy R and D Center (SNERDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); Zhao Yong, E-mail: yzhao@swjtu.edu.cn [Key Laboratory of Magnetic Suspension Technology and Maglev Vehicle, Ministry of Education of China, Superconductivity and New Energy R and D Center (SNERDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer The Cu(In,Ga)Se{sub 2} and Cu(In,Ga)2Se{sub 3.5} films follow different process to form CIGS phase. Black-Right-Pointing-Pointer Composition loss of the annealed Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films are different. Black-Right-Pointing-Pointer Hexagonal CuSe phase exhibits unique transport feature. Black-Right-Pointing-Pointer Conductivity of the CIGS films is affected by the 'variable range hopping' mechanism. - Abstract: We have investigated the effect of annealing temperature on structural, compositional, electrical properties of the one-step RF sputtered Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films. After the annealing at various temperatures, loss of Se element is significant for the Cu(In,Ga)Se{sub 2} films and meanwhile composition of the annealed Cu(In,Ga){sub 2}Se{sub 3.5} films keeps almost constant. The as-deposited Cu(In,Ga)Se{sub 2} and Cu(In,Ga){sub 2}Se{sub 3.5} films show amorphous structure and they follow different transformation process to form chalcopyrite structure. Electrical conductivity of the annealed CIGS films related to their chemical composition. Cu(In,Ga)Se{sub 2} films annealed at 150 Degree-Sign C show unique electron transport mechanism for the formation of hexagonal CuSe phase. Electrical conductivity of the chalcopyrite structure films are dominated by the 'variable range hopping' transport mechanism. The annealed Cu(In,Ga){sub 2}Se{sub 3.5} films present higher density of disorders than the annealed Cu(In,Ga)Se{sub 2} films for their significant Cu deficient composition.

  18. Surface Passivation of CdSe Quantum Dots in All Inorganic Amorphous Solid by Forming Cd1-xZnxSe Shell.

    Science.gov (United States)

    Xia, Mengling; Liu, Chao; Zhao, Zhiyong; Wang, Jing; Lin, Changgui; Xu, Yinsheng; Heo, Jong; Dai, Shixun; Han, Jianjun; Zhao, Xiujian

    2017-02-07

    CdSe quantum dots (QDs) doped glasses have been widely investigated for optical filters, LED color converter and other optical emitters. Unlike CdSe QDs in solution, it is difficult to passivate the surface defects of CdSe QDs in glass matrix, which strongly suppress its intrinsic emission. In this study, surface passivation of CdSe quantum dots (QDs) by Cd 1-x Zn x Se shell in silicate glass was reported. An increase in the Se/Cd ratio can lead to the partial passivation of the surface states and appearance of the intrinsic emission of CdSe QDs. Optimizing the heat-treatment condition promotes the incorporation of Zn into CdSe QDs and results in the quenching of the defect emission. Formation of CdSe/Cd 1-x Zn x Se core/graded shell QDs is evidenced by the experimental results of TEM and Raman spectroscopy. Realization of the surface passivation and intrinsic emission of II-VI QDs may facilitate the wide applications of QDs doped all inorganic amorphous materials.

  19. A Micro-Raman Study of Exfoliated Few-Layered n-Type Bi2Te2.7Se0.3 (Postprint)

    Science.gov (United States)

    2017-11-28

    is feasible because the Bi-Te1 bond strength is the strongest bond in the quintuple20. In addition, the Te2 atom is known to lie at the inversion ...ii) mitigation of the bipolar effect in thermopower, and iii) a simultaneous reduction in the thermal conductivity, that led to the broadening of the...or Se-dopant at the Te sites (Te1 and Te2), where Te2 is the inversion center of the crystal symmetry (see Supplementary Fig. S1)33. As Se is

  20. Phase diagrams of novel Tl{sub 4}SnSe{sub 4}–TlSbSe{sub 2}–Tl{sub 2}SnSe{sub 3} quasi-ternary system following DTA and X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Barchiy, I.E.; Tatzkar, A.R. [Department of Chemistry, Uzhgorod National University, Pidgirna St., 46, Uzhgorod 88000 (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska St., 50, Lviv 79010 (Ukraine); Plucinski, K., E-mail: kpluc2006@wp.pl [Electronics Department, Military University Technology, Warsaw, Kaliskiego 2, Warsaw 00-908 (Poland)

    2016-06-25

    Phase relation in the Tl{sub 4}SnSe{sub 4}–TlSbSe{sub 2}–Tl{sub 2}SnSe{sub 3} quasiternary system were studied by the DTA and X-ray diffraction in combination with mathematical modeling. The phase diagrams of the Tl{sub 4}SnSe{sub 4}–TlSbSe{sub 2} and Tl{sub 2}SnSe{sub 3}–TlSbSe{sub 2} systems, the perspective views of the phase interaction in the ternary system, the liquidus surface projection, the isothermal section at 423 K were built for the first time. The Tl{sub 4}SnSe{sub 4}–TlSbSe{sub 2}–Tl{sub 2}SnSe{sub 3} system is of the invariant eutectic type and is characterized by the formation of limited solid solutions following initial ternary compounds. New complex compounds are not formed. - Highlights: • Two Tl{sub 4}SnSe{sub 4}–TlSbSe{sub 2},Tl{sub 2}SnSe{sub 3}–TlSbSe{sub 2} systems were explored. • Invariant processes in the ternary system were determined. • New complex compounds were not observed in ternary system.

  1. Processing and characterisation of II–VI ZnCdMgSe thin film gain structures

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Brynmor E., E-mail: brynmor.jones@strath.ac.uk [Institute of Photonics, Department of Physics, University of Strathclyde, Technology and Innovation Centre, Level 5, 99 George Street, Glasgow G1 1RD (United Kingdom); Schlosser, Peter J. [Institute of Photonics, Department of Physics, University of Strathclyde, Technology and Innovation Centre, Level 5, 99 George Street, Glasgow G1 1RD (United Kingdom); De Jesus, Joel [Department of Physics, The Graduate Center and The City College of New York, 138th Street and Convent Avenue, New York, NY 10031 (United States); Garcia, Thor A.; Tamargo, Maria C. [Department of Chemistry, The Graduate Center and The City College of New York, 138th Street and Convent Avenue, New York, NY 10031 (United States); Hastie, Jennifer E. [Institute of Photonics, Department of Physics, University of Strathclyde, Technology and Innovation Centre, Level 5, 99 George Street, Glasgow G1 1RD (United Kingdom)

    2015-09-01

    Lattice-matched II–VI selenide quantum well (QW) structures grown on InP substrates can be designed for emission throughout the visible spectrum. InP has, however, strong visible-light absorption, so that a method for epitaxial lift-off and transfer to transparent substrates is desirable for vertically-integrated devices. We have designed and grown, via molecular beam epitaxy, ZnCdSe/ZnCdMgSe multi-QW gain regions for vertical emission, with the QWs positioned for resonant periodic gain. The release of the 2.7 μm-thick ZnCdSe/ZnCdMgSe multi-QW film is achieved via selective wet etching of the substrate and buffer layers leaving only the epitaxial layers, which are subsequently transferred to transparent substrates, including glass and thermally-conductive diamond. Post-transfer properties are investigated, with power and temperature-dependent surface- and edge-emitting photoluminescence measurements demonstrating no observable strain relaxation effects or significant shift in comparison to unprocessed samples. The temperature dependent QW emission shift is found experimentally to be 0.13 nm/K. Samples capillary-bonded epitaxial-side to glass exhibited a 6 nm redshift under optical pumping of up to 35 mW at 405 nm, corresponding to a 46 K temperature increase in the pumped region; whereas those bonded to diamond exhibited no shift in QW emission, and thus efficient transfer of the heat from the pumped region. Atomic force microscopy analysis of the etched surface reveals a root-mean-square roughness of 3.6 nm. High quality optical interfaces are required to establish a good thermal and optical contact for high power optically pumped laser applications. - Highlights: • ZnCdSe/ZnCdMgSe II–VI multi-quantum well active regions are grown on InP. • Free-standing, II–VI films removed from InP substrate and InGaAs via wet etching • Negligible change of the quantum well photoluminescence after substrate removal • II–VI film transferred to diamond shows good

  2. Two anionically derivatized scandium oxoselenates(IV): ScF[SeO3] and Sc2O2[SeO3

    Science.gov (United States)

    Greiner, Stefan; Chou, Sheng-Chun; Schleid, Thomas

    2017-02-01

    Scandium fluoride oxoselenate(IV) ScF[SeO3] and scandium oxide oxoselenate(IV) Sc2O2[SeO3] could be synthesized through solid-state reactions. ScF[SeO3] was obtained phase-pure, by reacting mixtures of Sc2O3, ScF3 and SeO2 (molar ratio: 1:1:3) together with CsBr as fluxing agent in corundum crucibles embedded into evacuated glassy silica ampoules after firing at 700 °C for seven days. Sc2O2[SeO3] first emerged as by-product during the attempts to synthesize ScCl[SeO3] following aforementioned synthesis route and could later be reproduced from appropriate Sc2O3/SeO3 mixtures. ScF[SeO3] crystallizes monoclinically in space group P21/m with a=406.43(2), b =661.09(4), c=632.35(4) pm, β=93.298(3)° and Z=2. Sc2O2[SeO3] also crystallizes in the monoclinic system, but in space group P21/n with a=786.02(6), b=527.98(4), c=1086.11(8) pm, β=108.672(3)° for Z=4. The crystal structures of both compounds are strongly influenced by the stereochemically active lone pairs of the ψ1-tetrahedral [SeO3]2- anions. They also show partial structures, where the derivatizing F- or O2- anions play an important role. For ScF[SeO3] chains of the composition 2+∞ 1[FS c 2 / 2 ] form from connected [FSc2]5+ dumbbells, while [OSc3]7+ pyramids and [OSc4]10+ tetrahedra units are condensed to layers according to 2+ ∞ 2[O2Sc2 ] in Sc2O2[SeO3].

  3. Possibility of using BeMgZnSe as a new cladding material for ZnSe-based blue laser diodes

    International Nuclear Information System (INIS)

    Kim, D. C.; Choi, J. H.; Yoo, K. H.; Kim, T. W.; Yao, T.

    1999-01-01

    We calculated the gain and the radiative recombination current density of ZnSe/Be x Mg y Zn 1-x-y Se/Be x Mg y Zn 1-x - y Se separate confinement heterostructure (SCH) laser diodes and compared the results with those for the more popular ZnSe/Zn 1-x Mg x S y Se 1-y /Zn 1-x Mg x S y Se 1-y system. For five different values of the cladding-layer energy gap (E g,c ), we sought the optimum SCH structure that had a minimum threshold current density for both quaternaries, and we compared the corresponding current densities. For the same E g,c , ZnMgSSe was found to have a smaller threshold current density. The threshold current density decreased rapidly with increasing. E g,c in both materials. Therefore, if the available energy gap of the BeMgZnSe cladding is larger than that of ZnMGZnSSe, BeMgZnSe may be the better choice

  4. Multi-spectroscopic techniques to evaluate the toxicity of alloyed CdSeS quantum dots

    International Nuclear Information System (INIS)

    Zhan Hongju; Zhou Peijiang; Ding Ling; He Zhenyu; Ma Rong

    2012-01-01

    Alloyed CdSeS quantum dots (QDs) were successfully synthesized in aqueous phase using microwave irradiation. UV–vis spectroscopy, fluorescence spectroscopy, transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques proved that the prepared alloyed QDs are composed of a CdSe-rich core and thick CdS shell with homogeneous size distributions. In order to study its biological toxicity, multi-spectroscopic techniques were adopted to investigate their conjugation with BSA. Fluorescence quenching methods indicated the prepared CdSeS QDs strongly quenched the fluorescence of BSA due to the formation of non-fluorescence ground-state complex. UV–vis absorbance spectra, synchronous fluorescence spectra and CD spectra further confirmed the alloyed CdSeS QDs binded with BSA and destroyed their hydrogen bonding networks, which induced the conformation changes of this macromolecule. - Highlights: ► Synthesis of alloyed CdSeS QDs in aqueous phase via microwave irradiation. ► Characterization of alloyed QDs by PL, UV–vis, XRD and TEM techniques. ► Evidence of static quenching between alloyed QDs and BSA. ► Evidence of the conformation change of BSA molecules induced by alloyed QDs.

  5. K2Ln2As2Se9 (Ln = Sm, Gd): the first quaternary rare-earth selenoarsenate compounds with a 3D framework containing chairlike As2Se4 units.

    Science.gov (United States)

    Wu, Yuandong; Bensch, Wolfgang

    2009-04-06

    The new compounds K(2)Ln(2)As(2)Se(9) (Ln = Sm, Gd) were obtained by applying the reactive flux method. The structure consists of a three-dimensional (3D) [Ln(2)As(2)Se(9)](2-) framework with K(+) ion-filling tunnels running along the b axis. The two unique Ln(3+) cations are coordinated by two Se(2)(2-) dumbbells, two AsSe(3)(3-) pyramids, and one chairlike As(2)Se(4)(2-) unit in a bicapped trigonal-prismatic geometry. The Ln(3+)-centered trigonal prisms share triangular faces with neighboring prisms, forming one-dimensional chains along the b axis. These chains are linked to each other to form layers by sharing Se(2-) anions on the capped sites of the trigonal prisms. The As(2)Se(4) units connect these layers to form the 3D framework.

  6. Opportunities and challenges for a sustainable energy policy in SE Europe: SE European Energy Community Treaty

    International Nuclear Information System (INIS)

    Mihajlov, Andjelka

    2010-01-01

    Energy demand continues to increase in turn raising concerns about energy supply. In this paper, the author has tried to systematize the role of the energy sector in South Eastern (SE) Europe in the context of the European energy policy process. This should make the energy sector in SE Europe more visible and open to substantial activities and appropriate funding. This is important to assure its full alignment with the European energy policy process, and in so doing, make it less fragile. According to the SE European Energy Community Treaty, parties to the Treaty are obliged to implement reforms in the energy and environmental sector in accordance with the European Union's respective policy. This paper raises awareness of the environmental requirements that have been set, of renewable energy and its implementation, at the same time pointing out that the response in SE Europe has been at a low level. It is believed that this paper could draw attention to the existing problems and could contribute to the establishment of a common integrated energy market in SE Europe and the EU. (author)

  7. Synthesis of /sup 75/Se-2-phenyl-1,2-benzisoselenazol-3(2H)-one (PZ 51; Ebselen). A novel biologically active organo-selenium compound

    Energy Technology Data Exchange (ETDEWEB)

    Cantineau, R.; Tihange, G.; Plenevaux, A.; Christiaens, L.; Guillaume, M.; Welter, A.; Dereu, N.

    1986-01-01

    The preparation of /sup 75/Se-ebselen (/sup 75/Se-PZ 51) in a high radiochemical yield (approx. 40%) and with a specific activity of 240 mCi/mM (8.9 GBq/mM) is described. It entails a very simple, fast and one-pot procedure starting from elemental /sup 75/Se-selenium. /sup 75/Se-diselenosalicylic acid is initially prepared as the key intermediate which is transformed into a corresponding dichloride before reacting with aniline to yield the desired /sup 75/Se-ebselen. Identity and purity of the labelled compound were controlled by comparison in TLC, HPLC and MS with an authentic sample.

  8. Enhanced field emission behavior of layered MoSe2

    International Nuclear Information System (INIS)

    Suryawanshi, Sachin R; Pawbake, Amit S; Jadkar, Sandesh R; More, Mahendra A; Pawar, Mahendra S; Late, Dattatray J

    2016-01-01

    Herein, we report one step facile chemical vapor deposition method for synthesis of single-layer MoSe 2 nanosheets with average lateral dimension ∼60 μm on 300 nm SiO 2 /Si and n-type silicon substrates and field emission investigation of MoSe 2 /Si at the base pressure of ∼1 × 10 −8 mbar. The morphological and structural analyses of the as-deposited single-layer MoSe 2 nanosheets were carried out using an optical microscopy, Raman spectroscopy and atomic force microscopy. Furthermore, the values of turn-on and threshold fields required to extract an emission current densities of 1 and 10 μA cm −2 , are found to be ∼1.9 and ∼2.3 V μm −1 , respectively. Interestingly, the MoSe 2 nanosheet emitter delivers maximum field emission current density of ∼1.5 mA cm −2 at a relatively lower applied electric field of ∼3.9 V μm −1 . The long term operational current stability recorded at the preset values of 35 μA over 3 hr duration and is found to be very good. The observed results demonstrates that the layered MoSe 2 nanosheet based field emitter can open up many opportunities for their potential application as an electron source in flat panel display, transmission electron microscope, and x-ray generation. Thus, the facile one step synthesis approach and robust nature of single-layer MoSe 2 nanosheets emitter can provide prospects for the future development of practical electron sources. (paper)

  9. E-beam irradiation effect on CdSe/ZnSe QD formation by MBE: deep level transient spectroscopy and cathodoluminescence studies

    International Nuclear Information System (INIS)

    Kozlovsky, V I; Litvinov, V G; Sadofyev, Yu G

    2004-01-01

    CdSe/ZnSe structures containing 1 or 15 thin (3-5 monolayers) CdSe layers were studied by cathodoluminescence (CL) and deep level transient spectroscopy (DLTS). The DLTS spectra consisted of peaks from deep levels (DLs) and an additional intense peak due to electron emission from the ground quantized level in the CdSe layers. Activation energy of this additional peak correlated with an energy of the CdSe-layer emission line in the CL spectra. Electron-beam irradiation of the structure during the growth process was found to influence the DLTS and CL spectra of the CdSe layers, shifting the CdSe-layer emission line to the long-wave side. The obtained results are explained using the assumption that e-beam irradiation stimulates the formation of quantum dots of various sizes in the CdSe layers

  10. Optical properties change in Te diffused As{sub 50}Se{sub 50} chalcogenide thin film

    Energy Technology Data Exchange (ETDEWEB)

    Naik, Ramakanta; Behera, M.; Panda, R.; Mishra, N. C. [Department of Physics, Utkal University, Bhubaneswar, 751004, Odisha (India)

    2016-05-23

    In the present report, we present the effect of Te diffusion into As{sub 50}Se{sub 50} thin film which changes the optical properties. The Te/As{sub 50}Se{sub 50} film was irradiated by a laser beam of 532 nm to study the diffusion mechanism due to photo induced effect. The As{sub 50}Se{sub 50}, Te/As{sub 50}Se{sub 50} films show a completely amorphous nature from X-ray diffraction study. A non direct transition was found for these films on the basis of optical transmission data carried out by Fourier Transform infrared Spectroscopy. The optical bandgap is found to be decreased with Te deposition and photo darkening phenomena is observed for the diffused film. The change in the optical constants are well supported by the corresponding change in different types of bonds which are being studied by X-ray photoelectron spectroscopy.

  11. ¿ Como se hace una Telenovela ?

    Directory of Open Access Journals (Sweden)

    Iván Gavaldón

    2015-01-01

    Full Text Available La autora relata la historia de las Relaciones Públicas y dice que surgieron y se desarrollaron para legitimar ante el público los intereses económicos y políticos de quienes detentan el poder. Se cuestiona sobre el por qué no aplicar las relaciones públicas, en organizaciones populares, para que mejoren su publicación y orienten sus propósitos de desarrollo. El tema que aborda las Políticas culturales en América Latina acopia un extracto de lo más trascendente de los ensayos del libro editado por Néstor García Canclini. Sobre la telenovela se afirma que esta ha llegado a ser uno de los instrumentos más importantes de la comunicación popular: por ella desfilan las identidades de las más variadas culturas brasileñas. Y en cuanto a la caricatura se relata lo que ocurrió en el Seminario taller " Caricatura y Periodismo", realizado el(9-11 de Nov.- 1987 en el CIESPAL. El estudio sobre el mercado del vídeo se ve dificultado por la imprecisión de los datos obtenidos. Los datos oficiales no siempre se aproximan a la realidad, pues el mercado de vídeo se instauró en América Latina partiendo de una lógica totalmente diversa de los equipos de sonido e imagen.

  12. Compositional dependences of average positron lifetime in binary As-S/Se glasses

    International Nuclear Information System (INIS)

    Ingram, A.; Golovchak, R.; Kostrzewa, M.; Wacke, S.; Shpotyuk, M.; Shpotyuk, O.

    2012-01-01

    Compositional dependence of average positron lifetime is studied systematically in typical representatives of binary As-S and As-Se glasses. This dependence is shown to be in opposite with molar volume evolution. The origin of this anomaly is discussed in terms of bond free solid angle concept applied to different types of structurally-intrinsic nanovoids in a glass.

  13. Compositional dependences of average positron lifetime in binary As-S/Se glasses

    Energy Technology Data Exchange (ETDEWEB)

    Ingram, A. [Department of Physics of Opole University of Technology, 75 Ozimska str., Opole, PL-45370 (Poland); Golovchak, R., E-mail: roman_ya@yahoo.com [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Kostrzewa, M.; Wacke, S. [Department of Physics of Opole University of Technology, 75 Ozimska str., Opole, PL-45370 (Poland); Shpotyuk, M. [Lviv Polytechnic National University, 12, Bandery str., Lviv, UA-79013 (Ukraine); Shpotyuk, O. [Institute of Physics of Jan Dlugosz University, 13/15al. Armii Krajowej, Czestochowa, PL-42201 (Poland)

    2012-02-15

    Compositional dependence of average positron lifetime is studied systematically in typical representatives of binary As-S and As-Se glasses. This dependence is shown to be in opposite with molar volume evolution. The origin of this anomaly is discussed in terms of bond free solid angle concept applied to different types of structurally-intrinsic nanovoids in a glass.

  14. PbSe Quantum Well VECSEL on Si

    Science.gov (United States)

    Fill, M.; Khiar, A.; Rahim, M.; Felder, F.; Zogg, H.

    2011-12-01

    Vertical external cavity surface emitting lasers in the wavelength region from 3-5 μm are presented. They are based on PbSe quantum wells grown on Si substrates. As host material Pb1-xEuxSe and Pb1-xSrxSe are used. With Pb1-xSrxSe as host material maximum operation temperatures of 325 K are achieved, while with Pb1-xEuxSe an operation temperature of 245 K could not be overcome. This may be explained by a band alignment transition from type I to type II with increasing temperature.

  15. Investigation of short and ballistic coupling in vertical NbSe2 - graphene - NbSe2 Josephson junctions

    Science.gov (United States)

    Kim, Minsoo; Park, Geon-Hyoung; Yi, Jongyoon; Lee, Jae Hyeong; Park, Jinho; Lee, Hu-Jong

    2H-NbSe2 is a layered two-dimensional superconducting material, which can be constructed into a van der Waals heterostructure with versatile functionality. Here we fabricated a vertically stacked NbSe2 - graphene - NbSe2 heterostructure by the dry transfer technique, where defect-free contact via van der Waals force provides the high interfacial transparency. Insertion of an atomically thin graphene layer between two NbSe2 flakes ensures the formation of highly coherent proximity Josephson coupling. Observed temperature dependence of the junction critical current (Ic) and large value of IcRn product (as large as 2.3ΔNbSe 2) reveal the short and ballistic Josephson coupling characteristics. Large junction critical current density of 104 A/cm2, multiple Andreev reflection in the subgap structure of the differential conductance, and magnetic field modulation of Ic also suggest the strong Josephson coupling via the graphene layer.

  16. Synthesis of single phase chalcopyrite CuIn1−xGaxSe2 (0 ≤ x ≤ 1) nanoparticles by one-pot method

    International Nuclear Information System (INIS)

    Han, Zhaoxia; Zhang, Dawei; Chen, Qinmiao; Hong, Ruijin; Tao, Chunxian; Huang, Yuanshen; Ni, Zhengji; Zhuang, Songlin

    2014-01-01

    Graphical abstract: - Highlights: • A facile and rapid one-pot synthesis method is presented. • The effects of various Ga contents are investigated. • Single phase chalcopyrite CuIn 1−x Ga x Se 2 nanoparticles can be easily synthesized. • The phase formation sequence is from CuSe to CuGaSe 2 , then to CuIn 1−x Ga x Se 2 . • The possible reaction mechanism of CuIn 1−x Ga x Se 2 nanoparticles is proposed. - Abstract: Single phase chalcopyrite and near stoichiometric CuIn 1−x Ga x Se 2 (0 ≤ x ≤ 1) nanoparticles were successfully synthesized by using a facile and rapid one-pot method. The effects of various Ga contents on crystal phase, morphology, element composition and absorption spectrum of the as-synthesized CuIn 1−x Ga x Se 2 nanoparticles were investigated in detail. The XRD and Raman patterns indicated that the as-synthesized nanoparticles had a single phase chalcopyrite structure, and the diffraction peaks shifted toward larger diffraction angles or higher frequencies with increasing Ga content. The FE-SEM images showed that the as-synthesized nanoparticles were polydispersed in both size and shape, and the nanoparticles with higher Ga content were more prone to aggregate. The Vis–IR absorption spectra showed strong absorption in the entire visible light region. The estimated band gap increased from 1.00 eV to 1.68 eV as Ga content increasing

  17. PHEIFFER SE TAALPOLITIEK JC Steyn

    African Journals Online (AJOL)

    sigself maak tog nie Chomsky se teorie oor n aangebore taalaanleg en die konsekwensie daarvan nl. dat elke taal opgebou moet wees volgens dieselfde grondprinsipes, ongeldig nie? Taalpolitieke oortuigingskrag het hierdie argument nog minder. Sal jy in alle erns vir mense kan se: "Ons moet aanhou om die taal te praat ...

  18. Assessing the anticancer compounds Se-methylselenocysteine and glucosinolates in Se-biofortified broccoli (brassica oleracea L. var. italica) sprouts and florets

    Science.gov (United States)

    Broccoli (Brassica oleracea L. var. italica) is a rich source of chemopreventive compounds. Here, we evaluated and compared the effect of selenium (Se) treatment on the accumulation of anticancer compound Se-methylselenocysteine (SeMSCys) and glucosinolates in broccoli sprouts and florets. Total Se ...

  19. The effects of staggered bandgap in the InP/CdSe and CdSe/InP core/shell quantum dots.

    Science.gov (United States)

    Kim, Sunghoon; Park, Jaehyun; Kim, Sungwoo; Jung, Won; Sung, Jaeyoung; Kim, Sang-Wook

    2010-06-15

    New type-II structures of CdSe/InP and InP/CdSe core-shell nanocrystals which have staggered bandgap alignment were fabricated. Using a simple model for the wave function for electrons and holes in InP/CdSe and CdSe/InP core/shell nanocrystals showed the wave function of the electron and hole spread into the shell, respectively. The probability density of the InP/CdSe and CdSe/InP core/shell QDs also showed a similar tendency. As a result, the structure exhibits increased delocalization of electrons and holes, leading to a red-shift in absorption and emission. Quantum yield increased in the InP/CdSe, however decreased in the CdSe/InP. The reason may be due to the surface trap and high activation barrier for de-trapping in the InP shell. 2010 Elsevier Inc. All rights reserved.

  20. Gamma-gamma angular correlation for transitions in 101Tc and 76Se nuclei

    International Nuclear Information System (INIS)

    Zamboni, C.B.

    1988-01-01

    The technique of directional γ-γ angular correlation has been used the β - decay of 101 Mo (T 1/2 = 14,6 min) to levels in 101 Tc and 76 Hs (T 1/2 = 26,3 h) to levels in 76 Se. The angular correlation of coincident γ-transitions, in both nuclei, have been measured using HPGe-HPGe and HPGe-NaI(Tl) spectrometers. Measurements have been carried out for fifteen gamma-cascades in 101 Tc and twenty four cascades in 76 Se resulting in the determination of multipole mixing ratios δ(E2/M1), for fourteen γ-transitions in 101 Tc and sexteen γ-transitions in 76 Se. In the case of 101 Tc these measurements were realized for the first time and in the case of 76 Se the present results confirmed some of the mixing ratios determined In the earlier studies od nuclear orientation and angular correlation. Present results together with the results of earlier studies also permitted definite assigments of spins to the majority of levels in 101 Tc and 76 Se involved in the present study. The experimental results are discussed in terms of nuclear models and a comparasion of some of the properties of the Technetium odd mass nuclei with A = 95-103 and Selenium even mass nuclei with A = 76-82 has been made in order to ilustrate the systematic variation of these properties with mass number. (author) [pt

  1. First-principles study of bandgap tuning in Ge1-xPbxSe

    Science.gov (United States)

    Lohani, Himanshu

    2018-03-01

    Narrow bandgap and its tuning are important aspects of materials for their technological applications. In this context group IV-VI semiconductors are one of the interesting candidates. In this paper, we explore the possibility of bandgap tuning in one of the family member of this family GeSe by using isoelectronic Pb doping. Our study is first-principles based electronic structure calculations of Ge1-xPbxSe. This study reveals that the Ge-p and Se-p states are strongly hybridized in GeSe and shows a gap in the DOS at Ef in GeSe. This gap reduces systematically with simultaneous enhancement of the states in the near Ef region as a function of Pb doping. This leads tuning of the indirect bandgap in GeSe via Pb doping. The results of the indirect bandgap decrement are consistent with the experimental findings. We propose a mechanism where the electrostatic effect of dopant Pb cation could be responsible for these changes in the electronic structure of GeSe.

  2. Molecular structure of virgin and Tg cycled (Ag2Se)x (AsSe)1-x bulk glasses

    Science.gov (United States)

    Wachtman, Jacob; Chen, Ping; Boochand, P.

    2009-03-01

    AsSe, the base glass (x = 0) in the titled ternary, is an interesting example of a chalcogenide that is partially de-mixed into As4Se4 molecules segregated from a connected AsSe network, with the latter determining glass network properties. Raman scattering reveals sharp modes of the Realgar molecules that are superimposed on broad modes coming from of the backbone. Upon Tg cycling virgin samples (as quenched melts), the concentration of de-mixed As4Se4 molecules decreases, suggesting that thermally induced polymerization occurs; molecules break up to form part of the connective tissue. Modulated DSC experiments reveal a broad exotherm near 140 ^oC in virgin samples, which becomes nearly extinct in Tg cycled samples. The exotherm may represent Realgar molecules nano-crystallizing as the temperature approaches Tg. Compositional trends in thermal parameters such as Tg(x), δCp(x), and the δHnr(x) as a function of Ag2Se content `x' of the glasses will be reported.

  3. Autismos que se 'curan'

    OpenAIRE

    Artigas, Josep, 1948-; Paula Pérez, Isabel, 1970-

    2016-01-01

    Introducción. La investigación sobre el autismo, basada principalmente en el modelo categórico del Manual diagnóstico y estadístico de los trastornos mentales, se ha centrado de forma preferente en la epidemiología, las manifestaciones clínicas, los mecanismos cognitivos y los determinantes biológicos y ambientales; sin embargo, se ha prestado escaso interés a las trayectorias evolutivas, las cuales son decisivas de cara al pronóstico a medio y largo plazo. Objetivo. Revisar el curso evolutiv...

  4. Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}, and Cs{sub 7}[Fe{sub 4}Se{sub 8}]. Missing links of known chalcogenido ferrate series

    Energy Technology Data Exchange (ETDEWEB)

    Stueble, Pirmin; Roehr, Caroline [Institut fuer Anorganische und Analytische Chemie, Universitaet Freiburg (Germany)

    2017-11-17

    The three cesium selenido ferrate title compounds with an Se:Fe ratio of 2:1 were synthesized from stoichiometric samples reacting elemental Cs either (A) with Fe and Se in a double-crucible setup (Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}) or (B) with previously prepared FeSe{sub 2} (Cs{sub 3}[FeSe{sub 2}]{sub 2}, Cs{sub 7}[Fe{sub 4}S{sub 8}]) (T{sub max} = 800-1000 C). The pure Fe{sup III} ferrate Cs[FeSe{sub 2}] crystallizes in the Tl[FeSe{sub 2}] type [monoclinic, space group C2/m, a = 1392.95(10), b = 564.43(3), c = 737.44(6) pm, β = 119.163(5) , Z = 4, R{sub 1} = 0.0550]. It is thus not isotypic to all other alkali ferrates(III) A[FeS{sub 2}] and A[FeSe{sub 2}] containing chains of edge-sharing tetrahedra, but crystallizes in a t2 subgroup of the Immm structure of Cs[FeS{sub 2}]. The mixed-valent chain compound Cs{sub 3}[FeSe{sub 2}]{sub 2} is isotypic to its sulfido analogue [orthorhombic, space group Pnma, a = 777.88(6), b = 1151.02(6), c = 1341.61(7) pm, Z = 4, R{sub 1} = 0.0470]. In contrast to the isopunctal Na{sub 3}[FeSe{sub 2}]{sub 2} type K/Rb compounds the chains are only slightly corrugated. The monoclinic, likewise mixed-valent Fe{sup II/III} selenido ferrate Cs{sub 7}[Fe{sub 4}Se{sub 8}] [monoclinic, space group C2/c, a = 1953.79(10), b = 879.71(5), c = 1717.03(10) pm, β = 117.890(2) , Z = 4, R{sub 1} = 0.0816] is isostructural both to the cesium sulfido and tellurido compound. The structure contains oligomeric moieties of four edge sharing [FeSe{sub 4}] tetrahedra forming slightly distorted tetrahedral clusters [Fe{sub 4}Se{sub 8}]{sup 7-}, which are surrounded by a cube of 26 Cs cations. Based on a structure map, the crystal chemistry of the three title compounds is discussed together with all chain/cluster ferrates of the general series A{sub 1+x}[Fe{sup III}{sub 1-x}Fe{sup II}{sub x}Q{sub 2}] (x = 0-1; A = Na, K, Rb, Cs; Q = S, Se, Te). (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Band dependence of charge density wave in quasi-one-dimensional Ta2NiSe7 probed by orbital magnetoresistance

    Science.gov (United States)

    He, Jiaming; Zhang, Yiran; Wen, Libin; Yang, Yusen; Liu, Jinyu; Wu, Yueshen; Lian, Hailong; Xing, Hui; Wang, Shun; Mao, Zhiqiang; Liu, Ying

    2017-07-01

    Ta2NiSe7 is a quasi-one-dimensional (quasi-1D) transition-metal chalcogenide with Ta and Ni chain structures. An incommensurate charge-density wave (CDW) in this quasi-1D structure was well studied previously using tunnelling spectrum, X-ray, and electron diffraction, whereas its transport property and the relation to the underlying electronic states remain to be explored. Here, we report our results of the magnetoresistance (MR) on Ta2NiSe7. A breakdown of Kohler's rule is found upon entering the CDW state. Concomitantly, a clear change in curvature in the field dependence of MR is observed. We show that the curvature change is well described by the two-band orbital MR, with the hole density being strongly suppressed in the CDW state, indicating that the p orbitals from Se atoms dominate the change in transport through CDW transition.

  6. Compositional dependence of physical properties in Se-Sb-In glassy system

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Shaveta, E-mail: shaveta.sharma1987@yahoo.com; Sharma, Rita; Kumar, Praveen; Chander, Ravi; Thangaraj, R.; Mian, M. [Semiconductors Laboratory, Department of Physics, GND University, Amritsar (India)

    2015-08-28

    The growing interest in the investigation of the properties of chalcogenide glasses stems from their potential application as phase change recording media and photoconductive elements in solid state devices.In the present work, the different theoretical parameters viz. coordination number, constraints, number of lone pair electrons, bond energy, heat of atomization, mean bond energy and glass transition temperature for Se{sub 75-x}Sb{sub 25}In{sub x} (x= 0, 1, 3, 5, 7, 9, 11) chalcogenide system have been calculated and their composition variation has been discussed. It has been found that average heat of atomization increases with In content. The glass transition temperature and mean bond energy increases with In. An attempt has been made to explain the varying trend of various parameters with increasing In content.

  7. Annealing effect on I-V characteristic of n-ZnO-p-InSe heterojunction

    Directory of Open Access Journals (Sweden)

    Kovalyuk Z. D.

    2015-12-01

    Full Text Available The article is devoted to studying of influence of vacuum low-temperature annealing on the electrical and photoelectric characteristics of n-ZnO-p-InSe heterostructure. Indium monoselenide (InSe is a semiconductor of the A3B6 group of layered compounds. The basic unit consists of two planes of metal atoms sandwiched between two planes of chalcogen atoms (Se-In-In-Se. The absence of dangling bonds on InSe cleaved surface makes it possible to use this semiconductor as a substrate for fabrication of heterostructures based on semiconductor materials with different symmetries and lattice spacings. Zinc oxide (ZnO is the most suitable material for window materials and solar cells buffer layers application due to its marvelous transparency in the range of visible region. InSe single crystals were grown by the Bridgman technique from a nonstoichiometric melt and characterized by a pronounced layered structure along the whole length of a sample. ZnO thin oxide film was formed on freshly cleaved van der Waals surface of InSe layered crystal. n-ZnO-p-InSe heterostructure was prepared by the method of high-frequency magnetron sputtering. Sensitivity spectral areas were identified by MDR-3 monochromator with a resolution of 2.6 nm/mm. The current-voltage characteristics of the n-ZnO-p-InSe heterostructures showed a clearly pronounced diode character. In the forward bias of the initial samples, the diode factor had the value 3.7 at room temperature. It is shown that vacuum low-temperature annealing reduces shunt currents of the heterojunction, which is reflected in the decrease in the values of n from 3.7 to 2.7.

  8. Oxidative stress by Se-deficiency and dynamics of biotrace elements

    International Nuclear Information System (INIS)

    Sakuma, Yasunobu; Tsuyuki, Satoshi; Nagayama, Atsuko; Matsuoka, Keisuke; Honda, Chikako; Endo, Kazutoyo

    2006-01-01

    Metal ions such as Mn, Fe, Cu, Zn, Se are located at the center of the antioxidants in biological systems. Selenium (Se) is contained in GSH-Px (glutathione peroxidase), one of the antioxidants, and is related to various other metal ions to keep redox balance in organism. In the present study, Mn contents in cell fractions of liver homogenates of Se-deficient rat, and control (normal) rats were determined by means of INAA. The results showed that the Mn contents in microsomal fraction of male Se-deficient rats were greater than the control for male rats, and that the trend was different for female rats. The results were presented together with the results of SOD and TBARS. (author)

  9. A simple and facile synthesis of MPA capped CdSe and CdSe/CdS core/shell nanoparticles

    Science.gov (United States)

    Sukanya, D.; Sagayaraj, P.

    2015-06-01

    II-VI semiconductor nanostructures, in particular, CdSe quantum dots have drawn a lot of attention because of their promising potential applications in biological tagging, photovoltaic, display devices etc. due to their excellent optical properties, high emission quantum yield, size dependent emission wavelength and high photostability. In this paper, we describe the synthesis and properties of mercaptopropionic acid capped CdSe and CdSe/CdS nanoparticles through a simple and efficient co-precipitation method followed by hydrothermal treatment. The growth process, characterization and the optical absorption as a function of wavelength for the synthesized MPA capped CdSe and CdSe/CdS nanoparticles have been determined using X-ray diffraction study (XRD), Ultraviolet-Visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FT-IR) and High Resolution Transmission Electron Microscopy (HRTEM).

  10. A simple and facile synthesis of MPA capped CdSe and CdSe/CdS core/shell nanoparticles

    International Nuclear Information System (INIS)

    Sukanya, D.; Sagayaraj, P.

    2015-01-01

    II-VI semiconductor nanostructures, in particular, CdSe quantum dots have drawn a lot of attention because of their promising potential applications in biological tagging, photovoltaic, display devices etc. due to their excellent optical properties, high emission quantum yield, size dependent emission wavelength and high photostability. In this paper, we describe the synthesis and properties of mercaptopropionic acid capped CdSe and CdSe/CdS nanoparticles through a simple and efficient co-precipitation method followed by hydrothermal treatment. The growth process, characterization and the optical absorption as a function of wavelength for the synthesized MPA capped CdSe and CdSe/CdS nanoparticles have been determined using X-ray diffraction study (XRD), Ultraviolet-Visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FT-IR) and High Resolution Transmission Electron Microscopy (HRTEM)

  11. Como Perseu se defendeu de Medusa?

    Directory of Open Access Journals (Sweden)

    Rose Lumertz de Freitas

    2012-04-01

    Full Text Available Na psicanálise francesa, principalmente com Lacan, o conceito de falta passou a ser de grande importância. Ao que, então, perguntamos: o que é a falta? E quando esta falta? O que acontece? O que acontece quando o não especularizável não está excluído, se fazendo, assim, especular? Quando Perseu vai ao encontro de Medusa, guiando-se por sua imagem refletida em um espelho de bronze polido, segurado por Atena, como pôde este herói defender-se de Medusa? Qual foi a forma encontrada por ele para se defender da presença do objeto que introduz a dimensão do real nu?

  12. Bonding Durability of Four Adhesive Systems

    Directory of Open Access Journals (Sweden)

    Leila Atash Biz Yeganeh

    2016-04-01

    Full Text Available Objectives: This study aimed to compare the durability of four adhesive systems by assessing their microtensile bond strength (MTBS and microleakage during six months of water storage.Materials and Methods: A total of 128 human third molars were used. The adhesives tested were Scotch Bond Multipurpose (SBMP, Single Bond (SB, Clearfil-SE bond (CSEB, and All-Bond SE (ABSE. After sample preparation for MTBS testing, the microspecimens were subjected to microtensile tester after one day and six months of water storage. For microleakage evaluation, facial and lingual class V cavities were prepared and restored with composite. After thermocycling, microleakage was evaluated. Bond strength values were subjected to one-way ANOVA and Tamhane’s test, and the microleakage data were analyzed by the Kruskal-Wallis, Dunn, Mann Whitney and Wilcoxon tests (P<0.05.Results: Single Bond yielded the highest and ABSE yielded the lowest bond strength at one day and six months. Short-term bond strength of SBMP and CSEB was similar. After six months, a significant decrease in bond strength was observed in ABSE and SBMP groups. At one day, ABSE showed the highest microleakage at the occlusal margin; however, at the gingival margin, there was no significant difference among groups. Long-term microleakage of all groups at the occlusal margins was similar, whilst gingival margins of SBMP and SB showed significantly higher microleakage.Conclusion: The highest MTBS and favorable sealability were obtained by Clearfil SE bond. Water storage had no effect on microleakage of self-etch adhesives at the gingival margin or MTBS of CSEB and SB. 

  13. Use of enriched {sup 74}Se and {sup 77}Se in combination with isotope pattern deconvolution to differentiate and determine endogenous and supplemented selenium in lactating rats

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Iglesias, H.; Fernandez Sanchez, M.L.; Garcia Alonso, J.I.; Sanz-Medel, A. [University of Oviedo, Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo (Spain)

    2007-10-15

    A quantitative methodology has been developed to differentiate between endogenous and supplemented selenium in lactating rats using two enriched selenium isotopes. Lactating rats were fed for 2 weeks with formula milk containing one enriched Se isotope, {sup 77}Se, as the metabolic tracer. The isotopic composition of selenium in serum and urine samples was then measured by collision cell ICP-MS after the addition of a solution containing another enriched isotope, {sup 74}Se, as quantitation tracer, before analysis. Isotope pattern deconvolution allowed the transformation of measured Se isotopic abundances into concentrations of natural abundance (endogenous) selenium and enriched {sup 77}Se (supplemented) present in the samples. The proposed methodology was validated using serum and urine reference materials spiked with both {sup 77}Se and {sup 74}Se. The obtained results are discussed in terms of selenium exchange and half-life in lactating rats (11-12 days) and selenium levels in serum in comparison with non-supplemented rats and control rats after maternal feeding. (orig.)

  14. Comparing the influence of selenite (Se4+) and selenate (Se6+) on the inhibition of the mercury (Hg) phytotoxicity to pak choi.

    Science.gov (United States)

    Tran, Thi Anh Thu; Dinh, Quang Toan; Cui, Zeiwei; Huang, Jie; Wang, Dan; Wei, Tianjiao; Liang, Dongli; Sun, Xin; Ning, Ping

    2018-01-01

    Selenite (Se (IV)) and selenate (Se (IV)) have recently been demonstrated to be equally effective in inhibiting mercury (Hg) phytotoxicity to plants. This assertion is still unclear. In this study, we aimed to explore the potential effects of Se species (Se 4+ and Se 6+ ) on the inhibition of the mercury (Hg) bioavailability to pak choi in dry land. Pot experiments with exposure to different dosages of mercuric chloride (HgCl 2 ) and selenite (Na 2 SeO 3 ) or selenate (Na 2 SeO 4 ) were treated. To compare the influence of Se (IV) and Se (VI) on the bioaccumulation and bioavailability of Hg, the levels of total Hg in different pak choi (Brassica chinensis L.) tissues (roots and shoots) and the distribution changes of Hg fractions in soil before planting and after harvest were determined as well as the Hg I R values in soils (relative binding intensity) were analyzed. Results showed that application Se (IV) reduced the concentrations of Hg in pak choi roots more than Se (VI). Hg concentrations were also decreased in pak choi shoots in Se (IV) treatments, while which notably increased in Se (VI) treatments. Thus, Se (IV) plays a more important role than Se (VI) in limiting the absorption and bioaccumulation of Hg in pak choi. Moreover, this inhibition may only significantly occur when Se (IV) is at an appropriate level (2.5mg/kg). In addition, the good correlations between the proportions of mobile Hg fractions (soluble and exchangeable fractions), I R values with the Hg concentrations in plants were observed. This affirmed the importance of the Hg fractions transformation and the I R indicator of Hg in the assessment of their bioavailability. Our findings regarding the importance of Se (IV) influence in reducing Hg bioaccumulation not only provided the correct appraisal about the effect of Se species on the inhibition of the Hg phytotoxicity to pak choi in dry land, but also be a good reference for selecting Se fertilizer forms (Se 4+ or Se 6+ ). Copyright © 2017

  15. Preparation of CulnSe2 thin films by paste coating

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Precursor pastes were obtained by milling Cu-In alloys and Se powders.CuInSe2 thin films were successfully prepared by precursor layers,which were coated using these pastes,and were annealed in a H2 atmosphere.The pastes were tested by laser particle diameter analyzer,simultaneous thermogravimetric and differential thermal analysis instruments (TG-DTA),and X-ray diffractometry (XRD).Selenized films were characterized by XRD,scanning electron microscopy (SEM),and energy dispersive spectroscopy (EDS).The results indicate that chalcopyrite CuInSe2 is formed at 180℃ and the crystallinity of this phase is improved as the temperature rises.All the CuInSe2 thin films,which were annealed at various temperatures,exhibit the preferred orientation along the (112) plane.The compression of precursor layers before selenization step is one oftbe most essential factors for the preparation of perfect CulnSe2 thin films.

  16. Inhomogeneous nuclear spin polarization induced by helicity-modulated optical excitation of fluorine-bound electron spins in ZnSe

    Science.gov (United States)

    Heisterkamp, F.; Greilich, A.; Zhukov, E. A.; Kirstein, E.; Kazimierczuk, T.; Korenev, V. L.; Yugova, I. A.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

    2015-12-01

    Optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer is studied by time-resolved Kerr rotation using resonant excitation of donor-bound excitons. Excitation with helicity-modulated laser pulses results in a transverse nuclear spin polarization, which is detected as a change of the Larmor precession frequency of the donor-bound electron spins. The frequency shift in dependence on the transverse magnetic field exhibits a pronounced dispersion-like shape with resonances at the fields of nuclear magnetic resonance of the constituent zinc and selenium isotopes. It is studied as a function of external parameters, particularly of constant and radio frequency external magnetic fields. The width of the resonance and its shape indicate a strong spatial inhomogeneity of the nuclear spin polarization in the vicinity of a fluorine donor. A mechanism of optically induced nuclear spin polarization is suggested based on the concept of resonant nuclear spin cooling driven by the inhomogeneous Knight field of the donor-bound electron.

  17. A DFT study for the structural and electronic properties of Zn m Se n nanoclusters

    Science.gov (United States)

    Yadav, Phool Singh; Pandey, Dheeraj Kumar

    2012-09-01

    An ab initio study has been performed for the stability, structural and electronic properties of 19 small zinc selenide Zn m Se n ( m + n = 2-4) nanoclusters. Out of these nanoclusters, one nanocluster is found to be unstable due to its imaginary vibrational frequency. A B3LYP-DFT/6-311G(3df) method is used in the optimization of the geometries of the nanoclusters. We have calculated the zero point energy (ZPE), which is ignored by the other workers. The binding energies (BE), HOMO-LUMO gaps and bond lengths have been obtained for all the optimized nanoclusters. For the same value of ` m' and ` n', we designate the most stable structure the one, which has maximum final binding energy (FBE) per atom. The adiabatic and vertical ionization potentials (IP) and electron affinities (EA), dipole moments and charge on atoms have been investigated for the most stable nanoclusters. For the same value of ` m' and ` n', the nanocluster containing maximum number of Se atoms is found to be most stable.

  18. Transport Properties of ZnSe- ITO Hetero Junction

    Science.gov (United States)

    Ichibakase, Tsuyoshi

    In this report, ITO(Indium Tin Oxide) was used on the glass substrates as the transparent electrode, and ZnSe layer was prepared by the vacuum deposition on this ITO. Then, the electrical characteristics of this sample were investigated by mans of the electric current transport analysis. The sample that ZnSe was prepared as 3.4 μm in case of ITO-ZnSe sample, has high density level at the junction surface. The ITO-ZnSe junction has two type of diffusion current. However, the ITO-ZnSe sample that ZnSe layer was prepared as 0.1 μm can be assumed as the ohmic contact, and ITO-ZnSe(0.1μm) -CdTe sample shows the avalanche breakdown, and it is considered that the avalanche breakdown occurs in CdTe layer. It is difficult to occur the avalanche breakdown, if ZnSe-CdTe junction has high-density level and CdTe layer has high-density defect. Hence, the ZnSe-CdTe sample that CdTe layer was prepared on ITO-ZnSe(0.1μm) substrate has not high-density level at the junction surface, and the CdTe layer with little lattice imperfection can be prepared. It found that ITO-ZnSe(0.1μm) substrate is available for the II-VI compounds semiconductor device through above analysis result.

  19. Li diffusion in NbSe/sub 2/ and Ag/sub 0.25/NbSe/sub 2/ single crystals

    International Nuclear Information System (INIS)

    Folinsbee, J.T.; Simpson, A.M.; Jericho, M.H.

    1986-01-01

    Measurements are reported of the diffusion of Lithium into NbSe/sub 2/ and into NbSe/sub 2/ preintercalated with silver. Diffusion parallel to the layers is found to be at least 2 orders of magnitude greater than perpendicular to the layers, but not to be greatly affected by the presence of intercalated silver. The activation energy for Li hopping in NbSe/sub 2/ is estimated to be 520 meV. The staging structure of Ag/sub x/NbSe/sub 2/ is also reported. These results have implications for the characterization of cathode materials in intercalation batteries

  20. Growth and photo-response of NbSe2 and NbS2 crystals

    Science.gov (United States)

    Patel, Kunjal; Solanki, G. K.; Pataniya, Pratik; Patel, K. D.

    2018-05-01

    Transition metal dichalcogenides(TMDCs) have attracted intense research efforts due to their drastic properties change as we move towards ultra-thin crystalline layers from their bulk counterparts. Many well studied members of this family such as MoS2, WS2, WSe2, WS2 etc. have shown potential for flexible electronic devices including photovoltaic applications. The TMDCs like NbSe2 and NbS2 are relatively less studied layered compounds consisting of staked sandwiches of Se-Nb-Se/S-Nb-Se tri-layers with strong covalent/ionic intra layer bonds and weak Van der Waals interlayer interactions. In the present work, author have grown the crystals of NbSe2 and NbS2 by Direct Vapour Transport (DVT) technique and the material composition is confirmed using EDAX data. Photoelectrochemical (PEC) solar cell measurements are performed under monochromatic light illumination at different intensities and various solar cell parameters are calculated. These crystalline semiconductor electrodes were also analysed by photocurrent-voltage characteristics in a PEC solar cell structure (Cu/NbSe2/(0.1M K4Fe(CN)6 + 0.1M K3Fe(CN)6) and Cu/NbS2/(0.1M K4Fe(CN)6 +0.1M K3Fe(CN)6)). Blue coloured light gave the maximum efficiency. For further analysis of photodetection properties of the grown crystals, Ag painted broad low contact resistance electrical contacts were drawn from the crystals and its transient photoresponse was studied to evaluate different detector parameters.

  1. First-principles calculation of the structural, electronic, elastic, and optical properties of sulfur-doping ε -GaSe crystal

    International Nuclear Information System (INIS)

    Huang Chang-Bao; Wu Hai-Xin; Ni You-Bao; Wang Zhen-You; Qi Ming; Zhang Chun-Li

    2016-01-01

    The structural, electronic, mechanical properties, and frequency-dependent refractive indexes of GaSe 1–x S x (x = 0, 0.25, and 1) are studied by using the first-principles pseudopotential method within density functional theory. The calculated results demonstrate the relationships between intralayer structure and elastic modulus in GaSe 1–x S x (x = 0, 0.25, and 1). Doping of ε -GaSe with S strengthens the Ga– X bonds and increases its elastic moduli of C 11 and C 66 . Born effective charge analysis provides an explanation for the modification of cleavage properties about the doping of ε -GaSe with S. The calculated results of band gaps suggest that the distance between intralayer atom and substitution of S Se , rather than interlayer force, is a key factor influencing the electronic exciton energy of the layer semiconductor. The calculated refractive indexes indicate that the doping of ε -GaSe with S reduces its refractive index and increases its birefringence. (paper)

  2. Luminescence of nanocrystalline ZnSe:Mn2+

    NARCIS (Netherlands)

    Suyver, J.F.; Wuister, S.F.; Kelly, J.J.; Meijerink, A.

    2000-01-01

    The luminescence properties of nanocrystalline ZnSe:Mn^(2+) prepared via an inorganic chemical synthesis are described. Photoluminescence spectra show distinct ZnSe and Mn^(2+) related emissions, both of which are excited via the ZnSe host lattice. The Mn^(2+) emission wavelength and the

  3. Microleakage assessment of one- and two-step self-etch adhesive systems with ‎the low shrinkage composites

    Directory of Open Access Journals (Sweden)

    Razieh Hoseinifar

    2015-07-01

    Full Text Available BACKGROUND AND AIM: Different studies evaluating one-step self-etch (SE adhesive systems show contradictory findings, so the aim of this study was to compare the microleakage of one-step SE adhesive systems and CLEARFIL SE BOND (that serves as the “gold-standard” SE adhesive with low shrinkage composites. METHODS: In this in vitro study, Class V cavities with the occlusal margin in enamel and cervical margin in cementum were prepared on the buccal and lingual surfaces of 36 human premolars and molars (72 cavities. The enamel surfaces of the cavities were etched with 37% phosphoric acid and then the specimens were divided into six groups of 6 (12 cavities and the cavities were restored according bellow: Group 1 (Kalore-GC + G-Bond, Group 2 (Grandio + Futurabond NR, Group 3 (Aelite LS Posterior + All Bond SE, Group 4 (Kalore-GC + CLEARFIL SE BOND, Group 5 (Grandio + CLEARFIL SE BOND, and Group 6 (Aelite LS Posterior + CLEARFIL SE BOND. All the specimens were thermocycled for 2000 cycles (5-55 °C and then placed in 0.5% basic fuchsine dye for 24 hours at 37 °C and finally sectioned and observed under the stereomicroscope. Data were analyzed using Kruskal-Wallis, Mann-Whitney, and Wilcoxon tests at a P 0.050. There were no significant differences in microleakage among two-step and one-step SE adhesive systems on both the occlusal and gingival margins. CONCLUSION: According to this study, two-step SE adhesive system (CLEARFIL SE BOND did not provide better marginal seal than the one-step SE adhesive systems.

  4. Removal of selenite by zero-valent iron combined with ultrasound: Se(IV) concentration changes, Se(VI) generation, and reaction mechanism.

    Science.gov (United States)

    Fu, Fenglian; Lu, Jianwei; Cheng, Zihang; Tang, Bing

    2016-03-01

    In this paper, the performance and application of zero-valent iron (ZVI) assisted by ultrasonic irradiation for the removal of selenite (Se(IV)) in wastewater was evaluated and reaction mechanism of Se(IV) with ZVI in such systems was investigated. A series of batch experiments were conducted to determine the effects of ultrasound power, pH, ZVI concentration, N2 and air on Se(IV) removal. ZVI before and after reaction with Se(IV) was characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). Results indicated that ultrasound can lead to a significant synergy in the removal of Se(IV) by ZVI because ultrasound can promote the generation of OH and accelerate the advanced Fenton process. The primary reaction products of ZVI and Se(IV) were Se(0), ferrihydrite, and Fe2O3. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Semiconductor laser with longitudinal electron-beam pumping and based on a quantum-well ZnCdSe/ZnSe structure grown on a ZnSe substrate by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Kozlovskii, Vladimir I; Korostelin, Yurii V; Skasyrsky, Yan K; Shapkin, P V; Trubenko, P A; Dianov, Evgenii M

    1998-01-01

    The method of molecular beam epitaxy on a ZnSe substrate was used to grow a ZnCdSe/ZnSe structure with 115 quantum wells. This structure was made up into a cavity which included part of the substrate. Lasing was excited by longitudinal pumping with a scanning electron beam of E e = 40 - 70 keV energy. At T = 80 K for E e = 65 keV the threshold current density was 60 A cm -2 and the output power was 0.15 W at the 465 nm wavelength. At T= 300 K the lasing (λ= 474 nm) occurred in the ZnSe substrate. (lasers)

  6. Investigation on the influence of pH on structure and photoelectrochemical properties of CdSe electrolytically deposited into TiO2 nanotube arrays

    International Nuclear Information System (INIS)

    Xue, Jinbo; Shen, Qianqian; Yang, Fei; Liang, Wei; Liu, Xuguang

    2014-01-01

    Highlights: • There-dimensional CdSe-TiO 2 multijunction was fabricated by electrochemical method. • CdSe nanoparticles had a good bonding with the walls of TiO 2 nanotube. • pH value played an important role in the quality of CdSe-TiO 2 interfaces. - Abstract: In this work, we fabricated CdSe/TiO 2 nanotube arrays (NTAs) by electrochemical method. In electrodeposition, the pH value of the electrolyte played an important role in formation of CdSe nanoparticles. As the pH value decreased, more CdSe deposited on TiO 2 NTAs. Scanning electron microscopy and transmission electron microscopy characterization shows that the CdSe nanoparticles were uniformly deposited on and into TiO 2 nanotubes when the pH value was 3, and this structure fully utilized the three-dimensional (3D) space of TiO 2 nanotubes to form 3D multijunction heterostructures. According to the photoelectrochemical test, the CdSe/TiO 2 NTAs sample prepared at pH = 3 exhibited maximum photocurrent and open circuit potential. This is because that the deposited CdSe nanoparticles had better bond with the walls of TiO 2 nanotube than the samples deposited at other pH values, which facilitated the propagation and kinetic separation of photogenerated charges

  7. L-Cysteine Capped CdSe Quantum Dots Synthesized by Photochemical Route.

    Science.gov (United States)

    Singh, Avinash; Kunwar, Amit; Rath, M C

    2018-05-01

    L-cysteine capped CdSe quantum dots were synthesized via photochemical route in aqueous solution under UV photo-irradiation. The as grown CdSe quantum dots exhibit broad fluorescence at room temperature. The CdSe quantum dots were found to be formed only through the reactions of the precursors, i.e., Cd(NH3)2+4 and SeSO2-3 with the photochemically generated 1-hydroxy-2-propyl radicals, (CH3)2COH radicals, which are formed through the process of H atom abstraction by the photoexcited acetone from 2-propanol. L-Cysteine was found to act as a suitable capping agent for the CdSe quantum dots and increases their biocompatability. Cytotoxicty effects of these quantum dots were evaluated in Chinese Hamster Ovary (CHO) epithelial cells, indicated a significant lower level for the L-cysteine capped CdSe quantum dots as compare to the bare ones.

  8. Topological superconductor in quasi-one-dimensional Tl2 -xMo6Se6

    Science.gov (United States)

    Huang, Shin-Ming; Hsu, Chuang-Han; Xu, Su-Yang; Lee, Chi-Cheng; Shiau, Shiue-Yuan; Lin, Hsin; Bansil, Arun

    2018-01-01

    We propose that the quasi-one-dimensional molybdenum selenide compound Tl2 -xMo6Se6 is a time-reversal-invariant topological superconductor induced by intersublattice pairing, even in the absence of spin-orbit coupling (SOC). No noticeable change in superconductivity is observed in Tl-deficient (0 ≤x ≤0.1 ) compounds. At weak SOC, the superconductor prefers the triplet d vector lying perpendicular to the chain direction and two-dimensional E2 u symmetry, which is driven to a nematic order by spontaneous rotation symmetry breaking. The locking energy of the d vector is estimated to be weak and hence the proof of its direction would rely on tunneling or phase-sensitive measurements.

  9. SE-72/AS-72 generator system based on Se extraction/ As reextraction

    Science.gov (United States)

    Fassbender, Michael Ernst; Ballard, Beau D

    2013-09-10

    The preparation of a .sup.72Se/.sup.72As radioisotope generator involves forming an acidic aqueous solution of an irradiated alkali bromide target such as a NaBr target, oxidizing soluble bromide in the solution to elemental bromine, removing the elemental bromine, evaporating the resulting solution to a residue, removing hydrogen chloride from the residue, forming an acidic aqueous solution of the residue, adding a chelator that selectively forms a chelation complex with selenium, and extracting the chelation complex from the acidic aqueous solution into an organic phase. As the .sup.72Se generates .sup.72As in the organic phase, the .sup.72As may be extracted repeatedly from the organic phase with an aqueous acid solution.

  10. Pressure-induced increase of exciton-LO-phonon coupling in a ZnCdSe/ZnSe quantum well

    Science.gov (United States)

    Guo, Z. Z.; Liang, X. X.; Ban, S. L.

    2003-07-01

    The possibility of pressure-induced increase of exciton-LO-phonon coupling in ZnCdSe/ZnSe quantum wells is studied. The ground state binding energies of the heavy hole excitons are calculated using a variational method with consideration of the electron-phonon interaction and the pressure dependence of the parameters. The results show that for quantum wells with intermediate well width, the exciton binding energy and the LO-phonon energy may coincide in the course of pressure increasing, resulting in the increase of exciton-LO-phonon coupling. It is also found that among the pressure-dependent parameters, the influence of the lattice constant is the most important one. The changes of both the effective masses and the dielectric constants have obvious effects on the exciton binding energy, but their influences are counterbalanced.

  11. Optoelectronic behavior of Quaternary Uranium Chalcogenides Rb{sub 2}Pd{sub 3}UM{sub 6} (M = S, Se): A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Din, Haleem Ud [Department of Physics, Hazara University, Mansehra (Pakistan); Azam, Sikander; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria)

    2014-12-05

    Highlights: • The Fermi surface and optoelectronic properties for Rb{sub 2}Pd{sub 3}UM{sub 6} (M = S, Se) compounds are investigated for the first time. • The electronic band structure calculations reveal a metallic nature for the herein studied compounds. • The bonding nature between different atoms is discussed. • Considerable anisotropy was found between the principal complex tensor components for the two compounds. - Abstract: First principle calculations of electronic, Fermi surface, electronic charge density and optical properties of Quaternary Uranium Chalcogenides Rb{sub 2}Pd{sub 3}UM{sub 6} (M = S, Se) are performed using full potential linear augmented plane wave (FP-LAPW) method within the frame work of density functional theory. Using mBJ method, the electronic band curves overlap at Fermi level and show metallic band structure for both compounds. The calculated densities of states (DOS) spectra show that the valence band is mainly attributed to Rb-p, Pd-d and S-s/p or Se-s/p states; conduction band is mainly attributed to Pd-d, U-f and S-p or Se-p/d states. From the electronic charge density spectrum, it is revealed that a strong covalent bond exists between Pd and S, and Pd or Se while charge transfer between U and S, U and Se, Rb and S, and Rb and Se atoms results in ionic bond nature. It is noted from Fermi surface calculations that both compounds comprise same number of fast velocity electrons but differs in slow or intermediate velocity of electrons. The calculated frequency dependent dielectric function, energy loss function and reflectivity show a considerable anisotropy for both compounds.

  12. Role of polymer matrix on photo-sensitivity of CdSe polymer nanocomposites

    Science.gov (United States)

    Kaur, Ramneek; Tripathi, S. K.

    2018-04-01

    This paper reports the effect of three different polymer matrices (PVP, PMMA and PVK) and Ag doping on the photo-sensitivity of CdSe polymer nanocomposites. The results reveal that the photoconductivity is high for linear chain polymer nanocomposites as compared to aromatic ones with decreasing trend as: CdSe-PMMA > CdSe-PVP > CdSe-PVK. The large substituents or branches along the polymer backbone hinder the stacking sequences in CdSe-PVK nanocomposites resulting in lowest photoconductivity. On contrary, CdSe-PVK nanocomposite exhibit highest photosensitivity. The reason behind it is the low value of dark conductivity in CdSe-PVK nanocomposite and photoconductive PVK matrix. With Ag doping, no considerable effect on the value of photosensitivity has been observed. The obtained results indicate that the photo-conducting properties of these polymer nanocomposites can be tuned by using different polymer matrices.

  13. ¿Como se hace publicidad por internet?

    Directory of Open Access Journals (Sweden)

    Franz Del Pozo

    2015-01-01

    Full Text Available Internet es el medio de comunicación y venta con el mayor potencial de crecimiento y efectividad al más bajo precio. Para vender se usan tarjetas de crédito, depósitos bancarios, franqueo, comercio electrónico. Explica qué y cómo se hace publicidad por Internet. La Red se usa para difundir y para vender y hay la posibilidad de hacer algo diferente a más de llegar directamente al público objetivo se interactúa con él.

  14. Sc2[Se2O5]3: The First Rare-Earth Metal Oxoselenate(IV with Exclusively [Se2O5]2− Anions

    Directory of Open Access Journals (Sweden)

    Stefan Greiner

    2018-04-01

    Full Text Available The scandium oxodiselenate(IV Sc2[Se2O5]3 was synthesized via solid-state reactions between scandium sesquioxide (Sc2O3 and selenium dioxide (SeO2 with thallium(I chloride (TlCl as fluxing agent in molar ratios of 1:4:2. Evacuated fused silica ampoules were used as reactions vessels for annealing the mixtures for five days at 800 °C. The new scandium compound crystallizes in the triclinic space group P 1 ¯ with the lattice parameters a = 663.71(5 pm, b = 1024.32(7 pm, c = 1057.49(8 pm, α = 81.034(2°, β = 87.468(2°, γ = 89.237(2° and Z = 2. There are two distinct Sc3+ positions, which show six-fold coordination by oxygen atoms as [ScO6]9− octahedra (d(Sc–O = 205–212 pm. Three different [Se2O5]2− anions provide these oxygen atoms with their terminal ligands (Ot. Each of the six selenium(IV central atoms exhibit a stereochemically active lone pair of electrons, so that all [Se2O5]2− anions consist of two ψ1-tetrahedral [SeO3]2− subunits (d(Se–Ot = 164–167 pm, d(Se–Ob = 176–185 pm, ∢(O–Se–O = 93–104° sharing one bridging oxygen atom (Ob with ∢(Se–Ob–Se = 121–128°. The vibrational modes of the complex anionic [Se2O5]2− entities were characterized via single-crystal Raman spectroscopy.

  15. 73Se, an unusual PAC probe applied to the study of semiconductors

    International Nuclear Information System (INIS)

    Vianden, R.

    1990-01-01

    The isotope 73 Se was produced by an (α,3n) reaction from 72 Ge in order to study the applicability of this probe to PAC defect studies in semiconductors. Measurements before and after annealing recoil implanted samples showed that the quadrupole interaction of the 66 keV state in the daughter isotope 73 As with the lattice damage created by the implantation is comparable to that found for 111 In in Ge. This indicates that 73 Se can be a suitable probe for defect studies in semiconductors with nuclear methods. (orig.)

  16. Discretization of the total magnetic field by the nuclear spin bath in fluorine-doped ZnSe.

    Science.gov (United States)

    Zhukov, E A; Kirstein, E; Kopteva, N E; Heisterkamp, F; Yugova, I A; Korenev, V L; Yakovlev, D R; Pawlis, A; Bayer, M; Greilich, A

    2018-05-16

    The coherent spin dynamics of fluorine donor-bound electrons in ZnSe induced by pulsed optical excitation is studied in a perpendicular applied magnetic field. The Larmor precession frequency serves as a measure for the total magnetic field exerted onto the electron spins and, surprisingly, does not increase linearly with the applied field, but shows a step-like behavior with pronounced plateaus, given by multiples of the laser repetition rate. This discretization occurs by a feedback mechanism in which the electron spins polarize the nuclear spins, which in turn generate a local Overhauser field adjusting the total magnetic field accordingly. Varying the optical excitation power, we can control the plateaus, in agreement with our theoretical model. From this model, we trace the observed discretization to the optically induced Stark field, which causes the dynamic nuclear polarization.

  17. 3+ and [Sb13Se16Br2] 5+ - Double and quadruple spiro cubanes from ionic liquids

    KAUST Repository

    Ahmed, Ejaz

    2014-01-08

    The reaction of antimony and selenium in the bromine-rich Lewis acidic ionic liquid [BMIm]Br·4.7AlBr3 (BMIm: 1-butyl-3- methylimidazolium) in the presence of a small amount of NbCl5 at 160 °C yielded dark-red crystals of [Sb7Se8Br 2][AlX4]3. For X = Cl0.15(1)Br 0.85(1), the compound is isostructural to [Sb7S 8Br2][AlCl4]3 [P212 121, a = 12.5132(5) Å, b = 17.7394(6) Å, c = 18.3013(6) Å]. For a higher chlorine content, X = Cl 0.58(1)Br0.42(1), a slightly disordered variant with a bisected unit cell is found [P21212, a = 12.3757(3) Å, b = 17.4116(5) Å, c = 9.0420(2) Å]. The [Sb 7Se8Br2]3+ heteropolycation (C 2 symmetry) is a spiro double-cubane with an antimony atom on the shared corner. From this distorted octahedrally coordinated central atom, tricoordinate selenium and antimony atoms alternate in the bonding sequence. The terminal antimony atoms each bind to a bromine atom. Quantum chemical calculations confirm polar covalent Sb-Se bonding within the cubes and indicate three-center, four-electron bonds for the six-coordinate spiro atoms. The calculated charge distribution reflects the electron-donor role of the antimony atoms. The use of a chlorine-rich ionic liquid resulted in the formation of triclinic [Sb13Se16Br2][AlX4] 5 with X = Cl0.80(1)Br0.20(1) [P$\\\\bar {1}$, a = 9.0842(5) Å, b = 19.607(1) Å, c = 21.511(1) Å, α = 64.116(6), β = 79.768(7), γ = 88.499(7)]. The cationic cluster [Sb13Se16Br2]5+ is a bromine-terminated spiro quadruple-cubane. This 31 atom concatenation of four cubes is assumed to be the largest known discrete main group polycation. A similar reaction in a chloride-free system yielded [Sb7Se 8Br2][Sb13Se16Br2] [AlBr4]8. In its monoclinic structure [P2/c, a = 27.214(5) Å, b = 9.383(2) Å, c = 22.917(4) Å, β = 101.68(1)], the two types of polycations alternate in layers along the a axis. In the series [Sb4+3nSe4+4nBr2](2+n)+, these cations are the members with n = 1 and 3. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGa

  18. Mechanistic investigations of Se(VI) treatment in anoxic groundwater using granular iron and organic carbon: An EXAFS study

    International Nuclear Information System (INIS)

    Gibson, Blair D.; Blowes, David W.; Lindsay, Matthew B.J.; Ptacek, Carol J.

    2012-01-01

    Highlights: ► We investigate treatment of aqueous Se(VI) under anoxic conditions. ► We utilize granular Fe 0 and organic carbon to promote Se(VI) removal. ► We characterize Se speciation using X-ray absorption spectroscopy. ► Granular Fe 0 promotes removal of Se(VI) by reduction to Se(0). ► Organic carbon promotes removal through sorption processes without reduction. - Abstract: The removal of aqueous Se(VI) from a simulated groundwater by granular iron (GI), organic carbon (OC), and a mixture of these reactive materials (GI–OC) was evaluated in laboratory batch experiments. The experiments were performed under anoxic conditions to simulate subsurface treatment. A total reaction time of 120 h (5 d) was chosen to investigate the rapid changes in speciation occurring over reaction times that are reasonable for permeable reactive barrier (PRB) systems. After 120 h, concentrations of Se decreased by >90% in the GI system, 15% in the OC system and 35% in the GI–OC mixture. Analysis of the materials after contact with Se using synchrotron-radiation based X-ray absorption spectroscopy (XAS) indicated the presence of Se(IV) and Se(0) on the margins of GI grains after 6 h with evidence of Se-O and Se-Se bonding, whereas Se(VI) was not observed. After 72 h, Se(0) was the only form of Se present in the GI experiments. In the OC batches, the XAS analysis indicated binding consistent with sorption of aqueous Se(VI) onto the OC with only minor reduction to Se(IV) and Se(0) after 120 h. Selenium XAS spectra collected for the GI–OC mixture were consistent with spectra for Se(IV) and Se(0) on both the margins of GI grains and OC particles, suggesting that the presence of dissolved Fe may have mediated the reduction of sorbed Se(VI). The results suggest that the application of granular Fe is effective at inducing aqueous Se removal in anoxic conditions through reductive precipitation processes.

  19. Two hexagonal series of lanthanoid(III) oxide fluoride selenides.: M{sub 6}O{sub 2}F{sub 8}Se{sub 3} (M = La - Nd) and M{sub 2}OF{sub 2}Se (M = Nd, Sm, Gd - Ho)

    Energy Technology Data Exchange (ETDEWEB)

    Zimmermann, Dirk D.; Grossholz, Hagen; Wolf, Sarah; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Janka, Oliver [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Mueller, Alexander C. [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Institut fuer Textilchemie und Chemiefasern, Denkendorf (Germany)

    2015-09-15

    Two hexagonal series of lanthanoid(III) oxide fluoride selenides with similar structure types can be obtained by the reaction of the components MF{sub 3}, M{sub 2}O{sub 3}, M, and Se in sealed niobium tubes at 850 C using CsI as fluxing agent. The compounds with the lighter and larger representatives (M = La - Nd) occur with the formula M{sub 6}O{sub 2}F{sub 8}Se{sub 3}, whereas with the heavier and smaller ones (M = Nd, Sm, Gd - Ho) their composition is M{sub 2}OF{sub 2}Se. For both systems single-crystal determinations were used in all cases. The compounds crystallize in the hexagonal crystal system (space group: P6{sub 3}/m) with lattice parameters of a = 1394-1331 pm and c = 403-372 pm (Z = 2 for M{sub 6}O{sub 2}F{sub 8}Se{sub 3} and Z = 6 for M{sub 2}OF{sub 2}Se). The (M1){sup 3+} cations show different square antiprismatic coordination spheres with or without an extra capping fluoride anion. All (M2){sup 3+} cations exhibit a ninefold coordination environment shaped as tricapped trigonal prism. In both structure types the Se{sup 2-} anions are sixfold coordinated as trigonal prisms of M{sup 3+} cations, being first condensed by edges to generate trimeric units and then via faces to form strands running along [001]. The light anions reside either in threefold triangular or in fourfold tetrahedral cationic coordination. For charge compensation, both structures have to contain a certain amount of oxide besides fluoride anions. Since F{sup -} and O{sup 2-} can not be distinguished by X-ray diffraction, bond-valence calculations were used to address the problem of their adjunction to the available crystallographic sites. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Substitution of indium for chromium in TlIn5−xCrxSe8: crystal structure of TlIn4.811(5Cr0.189(5Se8

    Directory of Open Access Journals (Sweden)

    Robin Lefèvre

    2017-04-01

    Full Text Available The new thallium penta(indium/chromium octaselenide, TlIn4.811(5Cr0.189(5Se8, has been synthesized by solid-state reaction. It crystallizes isotypically with TlIn5Se8 in the space group C2/m. Although the two Tl positions are disordered and only partially occupied, no Tl deficiency was observed. The insertion of chromium in the structure has been confirmed by EDS analysis. Chromium substitutes indium exclusively at one of three In sites, viz. at one of the positions with site symmetry 2/m (Wyckoff position 2a. In the crystal structure, edge-sharing InSe6 octahedra, and (In,CrSe6 octahedra and InSe4 tetrahedra make up two types of columns that are linked into a framework in which two different types of channels parallel to [010] are present. The Tl atoms are located in the larger of the channels, whereas the other, smaller channel remains unoccupied.

  1. Laser-induced luminescence of multilayer structures based on polyimides and CdSe and CdSe/ZnS nanocrystals

    International Nuclear Information System (INIS)

    Chistyakov, A A; Dayneko, S V; Zakharchenko, K V; Kolesnikov, V A; Tedoradze, M G; Mochalov, K E; Oleinikov, V A

    2009-01-01

    Laser-induced luminescence of multilayer structures based on the solids of CdSe and CdSe/ZnS nanocrystals, different organic semiconductors and on the layers of organic semiconductors with embedded nanocrystals has been investigated. Drastic decrease of luminescence quantum yield is observed in the films of CdSe nanocrystals on organic semiconductors compared to those on optical glasses. The luminescence of the nanocrystals in the matrices of organic semiconductors and in multilayer structures is shown to be suppressed. The effects observed are explained by the transfer of photogenerated carriers from the nanocrystals to the molecules of organic semiconductors. The presence of the charge transfer is confirmed by a drastic increase in the conductivity (by 2 – 4 orders of magnitude) and in photovoltaic effect at the presence of CdSe and CdSe/ZnS nanocrystals in the structures under investigation. The prospects of using the multilayer structures for development new materials for solar cells are discussed

  2. The MgSeO4-UO2SeO4-H2O system at 25 deg C

    International Nuclear Information System (INIS)

    Serezhkina, L.B.; Serezhkin, V.N.

    1984-01-01

    The method of isothermal solubility at 25 deg C has been used to study MgSeO 4 -UO 2 SeO 4 -H 2 O system. Formation of the new compound Mg 2 (UO 2 ) 3 (SeO 4 ) 5 X32H 2 O, congruently soluble in water is stated. Thermographic and X-ray diffraction investigations of the prepared magnesium selenato-uranylate and products of its dehydration are conducted

  3. Composition-controlled optical properties of colloidal CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Ayele, Delele Worku [Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Department of Chemistry, Bahir Dar University, Bahir Dar (Ethiopia); Su, Wei-Nien, E-mail: wsu@mail.ntust.edu.tw [Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Chou, Hung-Lung [Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Pan, Chun-Jern [Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Hwang, Bing-Joe, E-mail: bjh@mail.ntust.edu.tw [Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); National Synchrotron Radiation Research Center, Hsinchu 300, Taiwan (China)

    2014-12-15

    Graphical abstract: - Highlights: • The surface of CdSe QDs are modified with cadmium followed by selenium. • The optical properties of CdSe QDs can be controlled by manipulating the composition. • Surface compositional change affects the surface defects or traps and recombination. • The surface trapping state can be controlled by tuning the surface composition. • A change in composition shows a change in the carrier life time. - Abstract: A strategy with respect to band gap engineering by controlling the composition of CdSe quantum dots (QDs) is reported. After the CdSe QDs are prepared, their compositions can be effectively manipulated from 1:1 (Cd:Se) CdSe QDs to Cd-rich and then to Se-rich QDs. To obtain Cd-rich CdSe QDs, Cd was deposited on equimolar CdSe QDs. Further deposition of Se on Cd-rich CdSe QDs produced Se-rich CdSe QDs. The compositions (Cd:Se) of the as-prepared CdSe quantum dots were acquired by Energy-dispersive X-ray spectroscopy (EDX). By changing the composition, the overall optical properties of the CdSe QDs can be manipulated. It was found that as the composition of the QDs changes from 1:1 (Cd:Se) CdSe to Cd-rich and then Se-rich CdSe, the band gap decreases along with a red shift of UV–vis absorption edges and photoluminescence (PL) peaks. The quantum yield also decreases with surface composition from 1:1 (Cd:Se) CdSe QDs to Cd-rich and then to Se-rich, largely due to the changes in the surface state. Because of the involvement of the surface defect or trapping state, the carrier life time increased from the 1:1 (Cd:Se) CdSe QDs to the Cd-rich to the Se-rich CdSe QDs. We have shown that the optical properties of CdSe QDs can be controlled by manipulating the composition of the surface atoms. This strategy can potentially be extended to other semiconductor nanocrystals to modify their properties.

  4. Composition-controlled optical properties of colloidal CdSe quantum dots

    International Nuclear Information System (INIS)

    Ayele, Delele Worku; Su, Wei-Nien; Chou, Hung-Lung; Pan, Chun-Jern; Hwang, Bing-Joe

    2014-01-01

    Graphical abstract: - Highlights: • The surface of CdSe QDs are modified with cadmium followed by selenium. • The optical properties of CdSe QDs can be controlled by manipulating the composition. • Surface compositional change affects the surface defects or traps and recombination. • The surface trapping state can be controlled by tuning the surface composition. • A change in composition shows a change in the carrier life time. - Abstract: A strategy with respect to band gap engineering by controlling the composition of CdSe quantum dots (QDs) is reported. After the CdSe QDs are prepared, their compositions can be effectively manipulated from 1:1 (Cd:Se) CdSe QDs to Cd-rich and then to Se-rich QDs. To obtain Cd-rich CdSe QDs, Cd was deposited on equimolar CdSe QDs. Further deposition of Se on Cd-rich CdSe QDs produced Se-rich CdSe QDs. The compositions (Cd:Se) of the as-prepared CdSe quantum dots were acquired by Energy-dispersive X-ray spectroscopy (EDX). By changing the composition, the overall optical properties of the CdSe QDs can be manipulated. It was found that as the composition of the QDs changes from 1:1 (Cd:Se) CdSe to Cd-rich and then Se-rich CdSe, the band gap decreases along with a red shift of UV–vis absorption edges and photoluminescence (PL) peaks. The quantum yield also decreases with surface composition from 1:1 (Cd:Se) CdSe QDs to Cd-rich and then to Se-rich, largely due to the changes in the surface state. Because of the involvement of the surface defect or trapping state, the carrier life time increased from the 1:1 (Cd:Se) CdSe QDs to the Cd-rich to the Se-rich CdSe QDs. We have shown that the optical properties of CdSe QDs can be controlled by manipulating the composition of the surface atoms. This strategy can potentially be extended to other semiconductor nanocrystals to modify their properties

  5. Anabolizantes: conceitos segundo praticantes de musculação em Aracaju (SE Anabolizantes: conceptos según practicantes de musculación en Aracaju (SE Anabolic steroids: concepts according to muscular activity practisers in Aracaju (SE

    Directory of Open Access Journals (Sweden)

    André Faro Santos

    2006-08-01

    observada relación estadística significativa entre el uso de los anabolizantes en la actualidad y en el pasado (pThe objective of this research/study was to delineate the main concepts about anabolic steroids used among men that practice muscular activity in the academies of Aracaju (SE. A secondary aim was to know the prevalence of the use of such substances in a selected sample, which was constituted by men between 18 and 35 years old, with predominantly medium and superior school level. Results detected that the prevalent conception about anabolic steroids and its misdeeds, correspond to what is shown when it is used without medical prescription: the risk of abuse. Regarding benefits, it was observed the perception that such steroids can generate immediate results. It was noticed a large consumption in the researched population, who buy the drugs at pharmacies; and ingest doses above the ones recommended. Significant statistical relation was observed between the use of the anabolic steroids at the present time and in the past (p<0,05, suggesting that, people who used anabolic steroids in the past tend to maintain the use.

  6. PbSe Nanocrystal Excitonic Solar Cells

    KAUST Repository

    Choi, Joshua J.

    2009-11-11

    We report the design, fabrication, and characterization of colloidal PbSe nanocrystal (NC)-based photovoltaic test structures that exhibit an excitonic solar cell mechanism. Charge extraction from the NC active layer is driven by a photoinduced chemical potential energy gradient at the nanostructured heterojunction. By minimizing perturbation to PbSe NC energy levels and thereby gaining insight into the "intrinsic" photovoltaic properties and charge transfer mechanism of PbSe NC, we show a direct correlation between interfacial energy level offsets and photovoltaic device performance. Size dependent PbSe NC energy levels were determined by cyclic voltammetry and optical spectroscopy and correlated to photovoltaic measurements. Photovoltaic test structures were fabricated from PbSe NC films sandwiched between layers of ZnO nanoparticles and PEDOT:PSS as electron and hole transporting elements, respectively. The device current-voltage characteristics suggest a charge separation mechanism that Is distinct from previously reported Schottky devices and consistent with signatures of excitonic solar cells. Remarkably, despite the limitation of planar junction structure, and without film thickness optimization, the best performing device shows a 1-sun power conversion efficiency of 3.4%, ranking among the highest performing NC-based solar cells reported to date. © 2009 American Chemical Society.

  7. Wide emission-tunable CdTeSe/ZnSe/ZnS core–shell quantum dots and their conjugation with E. coli O-157

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Haifeng [State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Zhou, Guangjun, E-mail: gjzhou@sdu.edu.cn [State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Zhou, Juan [Center for Disease Control and Prevention of Jinan Military Command, Jinan 250014 (China); Xu, Dong; Zhang, Xingshuang; Kong, Peng; Yang, Zhongsen [State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China)

    2015-05-15

    Highlights: • QDs with variety morphology were obtained via an injection controlled process. • 3-D PL spectra of core–shell QDs show different excitation wavelength dependence. • The PL intensity of QDs with ZnSe transition layer increases dramatically. • Core–shell QDs were processed into aqueous phase and conjugated with E. coli O-157. - Abstract: Wide emission-tunable and different morphological alloyed CdTeSe quantum dots (QDs), CdTeSe/ZnS and CdTeSe/ZnSe/ZnS core–shell QDs were successfully synthesized via an injection controlled process. The effect of injection procedure and reaction temperature were systematically discussed and the growth mechanism was proposed. Most efficient PL wavelength was correlated with reaction time and temperature. The 3-D PL spectra of spherical bare CdTeSe and core–shell QDs with different passivation showed different excitation wavelength dependency. The PL intensity of CdTeSe/ZnSe/ZnS core–shell QDs increased greatly in comparison with that of CdTeSe and CdTeSe/ZnSe QDs. ZnSe transition layer played an important role in improving the PL intensity by providing a smoothened interface and gradient band offsets. The core–shell QDs were transferred into aqueous phase and successfully conjugated with Escherichia coli O-157. The proposed phase-transfer and bio-labeling strategy may be applicable to various QDs with different compositions.

  8. Synthesis and chemistry of the open-cage cobaltaheteroborane cluster [{(η(5)-C5Me5)Co}2B2H2Se2]: a combined experimental and theoretical study.

    Science.gov (United States)

    Barik, Subrat Kumar; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal

    2015-08-28

    Reaction of [(η(5)-C5Me5)CoCl]2 with a two-fold excess of [LiBH4·thf] followed by heating with an excess of Se powder produces the dicobaltaselenaborane species [{(η(5)-C5Me5)Co}2B2H2Se2], , in good yield. The geometry of resembles a nido pentagonal [Co2B2Se2] bipyramid with a missing equatorial vertex. It can alternatively be seen as an open cage triple-decker cluster. Isolation of permits its reaction with [Fe2(CO)9] to give heterometallic diselenametallaborane [{(η(5)-C5Me5)Co}Fe(CO)3B2H2Se2], . The geometry of is similar to that of with one of the [(η(5)-C5Me5)Co] groups replaced by the isolobal, two-electron fragment [Fe(CO)3]. Both new compounds have been characterized by mass spectrometry, and by (1)H, (11)B and (13)C NMR spectroscopy. The structural architectures have been unequivocally established by crystallographic analysis. In addition, density functional theory calculations were performed to investigate the bonding and electronic properties. The large HOMO-LUMO gaps computed for both clusters are consistent with their thermodynamic stability. Natural bond order calculations predict the absence of metal-metal bonding interaction.

  9. Magnetism and Raman Spectroscopy of Pristine and Hydrogenated TaSe2 Monolayer tuned by Tensile and Pure Shear Strain

    Science.gov (United States)

    Chowdhury, Sugata; Simpson, Jeffrey; Einstein, T. L.; Walker, Angela R. Hight

    2D-materials with controllable optical, electronic and magnetic properties are desirable for novel nanodevices. Here we studied these properties for both pristine and hydrogenated TaSe2 (TaSe2-H) monolayer (ML) in the framework of DFT using the PAW method. We considered uniaxial and biaxial tensile strain, as well as shear strain along the basal planes in the range between 1% and 16%. Previous theoretical works (e.g.) considered only symmetrical biaxial tensile. Pristine ML is ferromagnetic for uniaxial tensile strain along ◯ or ŷ. For tensile strain in ŷ, the calculated magnetic moments of the Ta atoms are twice those for the same strain in ◯. Under pure shear strain (expansion along ŷ and compression along ◯), a pristine ML is ferromagnetic, but becomes non-magnetic when the strain directions are interchanged. Due to carrier-mediated double-exchange, the pristine ML is ferromagnetic when the Se-Ta-Se bond angle is < 82° and the ML thickness is < 3.25Å. We find that all Raman-active phonon modes show obvious red-shifting due to bond elongation and the E2 modes degeneracy is lifted as strain increases. For a TaSe2-H ML, the same trends were observed. Results show the ability to tune the properties of 2D-materials.

  10. Theoretical study on microhydration of SeO42-: On the number of water molecules necessary to stabilize the dianion

    Science.gov (United States)

    Pathak, Arup Kumar

    2012-01-01

    Microhydration of SeO42-·nH2O (n = 1-5) clusters are reported at B3LYP/Aug-cc-pvtz level of theory. Lower size hydrated clusters are stabilized by only double-hydrogen-bonding arrangements and the most stable conformer for higher size cluster (n > 3) contains a cyclic water ring. It is observed that at least one water molecule is necessary to stabilize the dianion in the gas phase against spontaneous electron loss. The microscopic theory based expression provides a route to predict the instability of bare SeO42- and to obtain the VDE for a wide range of cluster sizes including the bulk from the knowledge of the same for a few stable hydrated clusters.

  11. Experience with the SE in Germany

    Directory of Open Access Journals (Sweden)

    Jochem Reichert

    2008-03-01

    Full Text Available A rather significant proportion of the Societas Europaeas (the European Company, or SE formed to date have had German roots. German corporate law has been enriched by an interesting alternative which meanwhile seems to have gained momentum. This contribution focuses on SEs incorporated by German entrepreneurs and provides an interesting account concerning the use of SEs in Germany in practice, such as Allianz, Fresenius, BASF and Porsche. Has the SE been used to circumvent rigid company law provisions or is it a more flexible and effective tool, perhaps, for company mobility? The practical motives behind setting up this company form are also reflected upon. These include: the facilitation of cross-border mergers; transfer of the registered office; the ‘European’ image; a more flexible form of co-determination in large companies (reduction of the number of supervisory board members; avoidance and freezing of co-determination for medium-sized enterprises; the appeal of the one-tier system and its endangerment by German co-determination; and flat and uniform structures for company groups. The author also briefly discusses some of the problems arising from the formation of SEs in Germany. He ultimately concludes that practice has shown that it is possible to work with the legal regime of the SE in Germany, which adds a new company form to those available in that Member State.

  12. Complexation in the system K2SeO4-UO2SeO4-H2O

    International Nuclear Information System (INIS)

    Serezhkina, L.B.; Kuchumova, N.V.; Serezhkin, V.N.

    1994-01-01

    Complexation in the system K 2 SeO 4 -UO 2 SeO 4 -H 2 O at 25 degrees C is studied by isothermal solubility. Congruently soluble K 2 UO 2 (SeO 4 ) 2 ·4H 2 O (I) and incongruently soluble K 2 (UO 2 ) 2 (SeO 4 ) 3 ·6H 2 O (II) are observed. The unit-cell constants of I and II are determined from an X-ray diffraction investigation. For I, a = 12,969, b = 11.588, c = 8.533 angstrom, Z = 4, space group Pmmb. For II, a = 23.36, b = 6.784, c = 13.699 angstrom, β = 104.42 degrees, Z = 4, space group P2/m, P2, or Pm. Complexes I and II are representatives of the crystal-chemical groups AB 2 2 M 1 and A 2 T 3 3 M 1 , respectively, of uranyl complexes

  13. Structural, morphological and optical properties of pulsed laser deposited ZnSe/ZnSeO3 thin films

    Science.gov (United States)

    Hassan, Syed Ali; Bashir, Shazia; Zehra, Khushboo; Salman Ahmed, Qazi

    2018-04-01

    The effect of varying laser pulses on structural, morphological and optical behavior of Pulsed Laser Deposited (PLD) ZnSe/ZnSeO3 thin films has been investigated. The films were grown by employing Excimer laser (100 mJ, 248 nm, 18 ns, 30 Hz) at various number of laser pulses i.e. 3000, 4000, 5000 and 6000 with elevated substrate temperature of 300 °C. One film was grown at Room Temperature (RT) by employing 3000 number of laser pulses. In order to investigate the structural analysis of deposited films, XRD analysis was performed. It was observed that the room temperature is not favorable for the growth of crystalline film. However, elevated substrate temperature to 300°C, two phases with preferred orientation of ZnSeO3 (2 1 2) and ZnSe (3 3 1) were identified. AFM and SEM analysis were performed to explore the surface morphology of grown films. Morphological analysis also confirmed the non-uniform film growth at room temperature. At elevated substrate temperature (300 °C), the growth of dendritic rods and cubical crystalline structures are observed for lower number of laser pulses i.e. 3000 and 4000 respectively. With increased number of pulses i.e. 5000 and 6000, the films surface morphology becomes smooth which is confirmed by measurement of surface RMS roughness. Number of grains, skewness, kurtosis and other parameters have been evaluated by statistical analysis. In order to investigate the thickness, and optical properties of deposited films, ellipsometery and UV–Vis spectroscopy techniques were employed. The estimated band gap energy is 2.67 eV for the film grown at RT, whereas band gap values varies from 2.80 eV to 3.01 eV for the films grown at 300 °C with increasing number of laser pulses.

  14. Atomic structures of Cd Te and Cd Se (110) surfaces

    International Nuclear Information System (INIS)

    Watari, K.; Ferraz, A.C.

    1996-01-01

    Results are reported based on the self-consistent density-functional theory, within the local-density approximation using ab-initio pseudopotentials of clean Cd Te and Cd Se (110) surfaces. We analyzed the trends for the equilibrium atomic structures, and the variations of the bond angles at the II-VI (110). The calculations are sensitive to the ionicity of the materials and the results are in agreement with the arguments which predict that the relaxed zinc-blend (110) surfaces should depend on ionicity. (author). 17 refs., 1 figs., 3 tabs

  15. Attempting to realize n-type BiCuSeO

    Science.gov (United States)

    Zhang, Xiaoxuan; Feng, Dan; He, Jiaqing; Zhao, Li-Dong

    2018-02-01

    As an intrinsic p-type semiconductor, BiCuSeO has been widely researched in the thermoelectric community, however, n-type BiCuSeO has not been reported so far. In this work, we successfully realized n-type BiCuSeO through carrying out several successive efforts. Seebeck coefficient of BiCuSeO was increased through introducing extra Bi/Cu to fill the Bi/Cu vacancies that may produce holes, and the maximum Seebeck coefficient was increase from +447 μVK-1 for undoped BiCuSeO to +638 μVK-1 for Bi1.04Cu1.05SeO. The Seebeck coefficient of Bi1.04Cu1.05SeO was changed from p-type to n-type through electron doping through introducing Br/I in Se sites, the maximum negative Seebeck coefficient can reach ∼ -465 μVK-1 and -543 μVK-1 for Bi1.04Cu1.05Se1-xIxO and Bi1.04Cu1.05Se1-xBrxO, respectively. Then, after compositing Bi1.04Cu1.05Se0.99Br0.01O with Ag, n-type BiCuSeO can be absolutely obtained in the whole temperature range of 300-873 K, the maximum ZT 0.05 was achieved at 475 K in the Bi1.04Cu1.05Se0.99Br0.01O+15% Ag. Our report indicates that it is possible to realize n-type conducting behaviors in BiCuSeO system.

  16. Immobilization of Se and U by iron sulfides

    International Nuclear Information System (INIS)

    Kang Mingliang; Ma Bin; Yang Zhuanwei; Liu Chunli; Chen Fanrong

    2014-01-01

    Both uranium and selenium are redox-sensitive, and can occur in several oxidation states. In reducing environments, they exist as insoluble forms. Therefore, reductive precipitation is the most effective way to immobilize U and Se. The interaction of aqueous Se (IV) and uranylwithiron sulfidesweresystematically investigated in light of thermodynamic calculations, X-ray Absorption Spectroscopy (XAS), and X-ray Photoelectron Spectroscopy (XPS). The results from the speciation study revealed that the reduction product was Se (O) when natural pyrite and pyrrhotitereacted with Se (IV), although FeSe 2 is the thermodynamically predicted product from nearly neural to alkaline conditions. This discrepancy is attributed to the oxidizing ability of Se (IV) towards FeSe 2 , of which produce the insoluble Se (0) as the stable product in short-term experiments. In contrast to the thermodynamic calculations, with a reaction product of mixed U (IV) and U (VI) (e.g., U 3 O 8 ), redox reaction was observed only at pH ∼ 8.5 and ∼ 4.5 for U (VI) reduction by nanosized pyrite and natural pyrite, respectively. We proposed that oxidation of pyrite needs an intermediate (e.g., Fe 2+ ), and the reaction between the uranyl and the intermediate is thermodynamically or kinetically limited. Moreover, trace elements generally held within pyrite structure can also greatly influence its reactivity. This study demonstrated that reaction kinetics play a significant role on the reaction product. From a geological time scale, Se and U are likely to be immobilized by iron sulfides via the form of FeSe 2 and UO 2 . (authors)

  17. Chemical and structural evolution in the Th-SeO3(2-)/SeO4(2-) system: from simple selenites to cluster-based selenate compounds.

    Science.gov (United States)

    Xiao, Bin; Langer, Eike; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V; Alekseev, Evgeny V

    2015-03-16

    While extensive success has been gained in the structural chemistry of the U-Se system, the synthesis and characterization of Th-based Se structures are widely unexplored. Here, four new Th-Se compounds, α-Th(SeO3)2, β-Th(SeO3)2, Th(Se2O5)2, and Th3O2(OH)2(SeO4)3, have been obtained from mild hydrothermal or low-temperature (180-220 °C) flux conditions and were subsequently structurally and spectroscopically characterized. The crystal structures of α-Th(SeO3)2 and β-Th(SeO3)2 are based on ThO8 and SeO3 polyhedra, respectively, featuring a three-dimensional (3D) network with selenite anions filling in the Th channels along the a axis. Th(Se2O5)2 is a 3D framework composed of isolated ThO8 polyhedra interconnected by [Se2O5](2-) dimers. Th3O2(OH)2(SeO4)3 is also a 3D framework constructed by octahedral hexathorium clusters [Th6(μ3-O)4(μ3-OH)4](12+), which are interlinked by selenate groups SeO4(2-). The positions of the vibrational modes associated with both Se(IV)O3(2-) and Se(VI)O4(2-) units, respectively, were determined for four compounds, and the Raman spectra of α- and β-Th(SeO3)2 are compared and discussed in detail.

  18. Metal ion displacements in noncentrosymmetric chalcogenides La{sub 3}Ga{sub 1.67}S{sub 7}, La{sub 3}Ag{sub 0.6}GaCh{sub 7} (Ch=S, Se), and La{sub 3}MGaSe{sub 7} (M=Zn, Cd)

    Energy Technology Data Exchange (ETDEWEB)

    Iyer, Abishek K. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900 (China); Rudyk, Brent W. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Lin, Xinsong [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada); Centre for Oil Sands Sustainability, Northern Alberta Institute of Technology, Edmonton, Alberta, Canada T6N1E5 (Canada); Nilges, Tom [Department of Chemistry, Technical University of Munich, 85748 Garching b. München (Germany); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G2G2 (Canada)

    2016-11-15

    The quaternary Ga-containing chalcogenides La{sub 3}Ag{sub 0.6}GaS{sub 7}, La{sub 3}Ag{sub 0.6}GaSe{sub 7}, La{sub 3}ZnGaSe{sub 7}, and La{sub 3}CdGaSe{sub 7}, as well as the related ternary chalcogenide La{sub 3}Ga{sub 1.67}S{sub 7}, were prepared by reactions of the elements at 950 °C. They adopt noncentrosymmetric hexagonal structures (space group P6{sub 3}, Z=2) with cell parameters (a=10.2 Å, c=6.1 Å for the sulfides; a=10.6 Å, c=6.4 Å for the selenides) that are largely controlled by the geometrical requirements of one-dimensional stacks of Ga-centered tetrahedra separated by the La atoms. Among these compounds, which share the common formulation La{sub 3}M{sub 1–x}GaCh{sub 7} (M=Ga, Ag, Zn, Cd; Ch=S, Se), the M atoms occupy sites within a stacking of trigonal antiprisms formed by Ch atoms. The location of the M site varies between extremes with trigonal antiprismatic (CN6) and trigonal planar (CN3) geometry. Partial occupation of these sites and intermediate ones accounts for the considerable versatility of these structures and the occurrence of large metal displacement parameters. The site occupations can be understood in a simple way as being driven by the need to satisfy appropriate bond valence sums for both the M and Ch atoms. Band structure calculations rationalize the substoichiometry observed in the Ag-containing compounds (La{sub 3}Ag{sub 0.6}GaS{sub 7}, La{sub 3}Ag{sub 0.6}GaSe{sub 7}) as a response to overbonding. X-ray photoelectron spectroscopy supports the presence of monovalent Ag atoms in these compounds, which are not charge-balanced. - Graphical abstract: Partial occupation of metal atoms in multiple sites accounts for versatility in Ga-containing chalcogenides La{sub 3}M{sub 1–x}GaCh{sub 7} with noncentrosymmetric hexagonal structures. - Highlights: • La{sub 3}M{sub 1–x}GaCh{sub 7} (M =Ga, Ag, Zn, Cd; Ch =S, Se) adopt related hexagonal structures. • Large displacements of M atoms originate from partial occupation of multiple

  19. Exotic topological insulator states and topological phase transitions in Sb2Se3-Bi2Se3 heterostructures

    KAUST Repository

    Zhang, Qianfan

    2012-03-27

    Topological insulator is a new state of matter attracting tremendous interest due to its gapless linear dispersion and spin momentum locking topological states located near the surface. Heterostructures, which have traditionally been powerful in controlling the electronic properties of semiconductor devices, are interesting for topological insulators. Here, we studied the spatial distribution of the topological state in Sb 2Se 3-Bi 2Se 3 heterostructures by first-principle simulation and discovered that an exotic topological state exists. Surprisingly, the state migrates from the nontrivial Bi 2Se 3 into the trivial Sb 2Se 3 region and spreads across the entire Sb 2Se 3 slab, extending beyond the concept of "surface" state while preserving all of the topological surface state characteristics. This unusual topological state arises from the coupling between different materials and the modification of electronic structure near Fermi energy. Our study demonstrates that heterostructures can open up opportunities for controlling the real-space distribution of the topological state and inducing quantum phase transitions between topologically trivial and nontrivial states. © 2012 American Chemical Society.

  20. Facile synthesis of red- to near-infrared-emitting CdTe{sub x}Se{sub 1-x} alloyed quantum dots via a noninjection one-pot route

    Energy Technology Data Exchange (ETDEWEB)

    Liao Lifang; Zhang Hua [Key Laboratory for Advanced Materials, Department of Chemistry, East China University of Science and Technology, Shanghai 200237 (China); Zhong Xinhua, E-mail: zhongxh@ecust.edu.c [Key Laboratory for Advanced Materials, Department of Chemistry, East China University of Science and Technology, Shanghai 200237 (China)

    2011-02-15

    High-quality CdTeSe colloidal nanocrystals with gradient distribution of components, consisting of Te-rich inner cores and Se-rich outer shells, were synthesized in a 'green' solvent paraffin via a noninjection one-pot approach with the use of cadmium oxide (CdO), elemental tellurium, and elemental selenium as Cd, Te, and Se sources, respectively. All of these reactants were loaded at room temperature. This features synthetic reproducibility and large-scale capability. The bandgap engineering of the obtained CdTeSe QDs can be conveniently realized through the variation of growth temperature. Red- to near-infrared-emitting (620-780 nm) QDs with nearly identical particle sizes can be obtained when the reaction temperature was changed from 180 to 280 {sup o}C with the fixation of precursor feed ratio at 5Cd-0.5Te-0.5Se. The as-prepared CdTeSe QDs exhibit PL QY as high as 53%. The resulting CdTeSe QDs were characterized by UV-vis and photoluminescence spectroscopy, powder X-ray diffraction, transmission electron microscopy, and inductively coupled plasma atomic emission spectroscopy.

  1. Positive magnetoresistance in Fe3Se4 nanowires

    Science.gov (United States)

    Li, D.; Jiang, J. J.; Liu, W.; Zhang, Z. D.

    2011-04-01

    We report the magnetotransport properties of Fe3Se4 nanowire arrays in anodic aluminum oxide (AAO) porous membrane. The temperature dependence of resistance of Fe3Se4 nanowires at a zero field shows thermal activated behavior below 295 K. The exponential relationship in resistance is consistent with the model of strong localization with variable-range hopping (VRH) for a finite one-dimensional wire. Resistance versus magnetic field curves below 100 K show small positive magnetoresistance (MR). The field dependencies of log[R(H)/R(0)] explain the positive MR as the effect of magnetic field on the VRH conduction.

  2. In-situ XRD study of alloyed Cu2ZnSnSe4-CuInSe2 thin films for solar cells

    International Nuclear Information System (INIS)

    Hartnauer, Stefan; Wägele, Leonard A.; Jarzembowski, Enrico; Scheer, Roland

    2015-01-01

    We investigate the growth of Cu 2 ZnSnSe 4 -CuInSe 2 (CZTISe) thin films using a 2-stage (Cu-rich/Cu-free) co-evaporation process under simultaneous application of in-situ angle dispersive X-ray diffraction (XRD). In-situ XRD allows monitoring the phase formation during preparation. A variation of the content of indium in CZTISe leads to a change in the lattice constant. Single phase CZTISe is formed in a wide range, while at high In contents a phase separation is detected. Because of different thermal expansion coefficients, the X-ray diffraction peaks of ZnSe and CZTISe can be distinguished at elevated substrate temperatures. The formation of ZnSe appears to be inhibited even for low indium content. In-situ XRD shows no detectable sign for the formation of ZnSe. First solar cells of CZTISe have been prepared and show comparable performance to CZTSe. - Highlights: • In-situ XRD study of two-stage co-evaporated Cu 2 ZnSnSe 4 -CuInSe 2 alloyed thin films. • No detection of ZnSe with in-situ XRD due to Indium incorporation • Comparable efficiency of alloyed solar cells

  3. Study of optical properties of vacuum evaporated carbon nanotube containing Se80Te16Cu4 thin films

    Science.gov (United States)

    Upadhyay, A. N.; Tiwari, R. S.; Singh, Kedar

    2016-08-01

    Thin films of Se80Te16Cu4 glassy alloy and 3 wt.% of carbon nanotubes (CNTs) containing Se80Te16Cu4 glassy composite were deposited on clean glass substrate by thermal evaporation technique. The scanning electron microscope and energy dispersive x-ray analysis were performed to investigate the surface morphology and elemental composition of as synthesised samples. The reflectance and transmittance spectra of as-deposited thin films were recorded (200-1100 nm) by using UV/VIS/NIR spectrophotometer. The optical band gap and optical constants such as absorption coefficient (α), refractive index (n) and extinction coefficient (k) of Se80Te16Cu4 and 3 wt.% CNTs-Se80Te16Cu4 glassy composite thin films were calculated. It is observed that optical properties alter due to CNTs incorporation in Se80Te16Cu4 glassy alloy. Effect on optical properties due to CNTs incorporation can be explained in terms of concentration of unsaturated bonds/defects in the localised states.

  4. Tests of pancreatic function using /sup 75/Se--Selenomethionine

    Energy Technology Data Exchange (ETDEWEB)

    Krasner, N; Brodie, M J; Sumner, D J; Thomson, T J

    1976-04-01

    Pancreatic function was investigated in 43 patients using a combination of conventional and subtraction scans of the pancreas and duodenal aspiration of the /sup 75/Se-Selenomethionine injected, in the time periods 60 to 150 minutes, 90 to 120 minutes and 105 to 150 minutes after injection. Patients with chronic alcoholism, chronic pancreatitis, pancreatic carcinoma, extrahepatic biliary obstruction and liver disease were included. Seven patients with no evidence of gastro-intestinal disease served as controls. Pancreatic scanning provided eight false positive and two false negative results (23.3 percent) and with /sup 75/Se-Selenomethionine excretion at 105 to 150 minutes, six false results were obtained (14 percent). In only one patient was a false positive result obtained with both scans and the /sup 75/Se-Selenomethionine test. The performance of conventional and subtraction scans of the pancreas with measurement of /sup 75/Se-Selenomethionine activity in the duodenal aspirate collected from 105 to 150 minutes after injection provides a convenient means of testing pancreatic exocrine function in a single three hour session.

  5. Lattice thermal conductivity of LaSe

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wei, E-mail: tolwwt@163.com [School of Physics and Telecommunication Engineering, South China Normal University, 510006 Guangzhou (China); Pan, Zhong-liang; Chen, Jun-fang; He, Qin-yu [School of Physics and Telecommunication Engineering, South China Normal University, 510006 Guangzhou (China); Wang, Teng [School of Computer, South China Normal University, 510631 Guangzhou (China)

    2015-07-15

    The phonon dispersions and phonon density of states of LaSe are obtained, based on density functional perturbation theory and the norm-conserving pseudo-potential method. An anomaly in calculated phonon dispersion curves is presented and interpreted as a Kohn anomaly. The heat capacity of LaSe is calculated then. For the three-phonon process scattering, the lowest non-harmonic cubic terms of the interatomic potential are considered to obtain single-phonon relaxation rate by applying the Fermi's golden rule. For the boundary scattering, the average phonon relaxation time was obtained. Considering two kinds of phonon scattering mechanisms, we obtain the lattice thermal conductivity of LaSe.

  6. In situ observation of the formation of FeSe

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Wulff, Anders Christian; Yue, Zhao

    2011-01-01

    The formation of the FeSe compound from a mixture of Fe and Se powders encased in a composite Cu/Nb sheath was studied in situ by means of high-energy synchrotron x-ray diffraction. Tetragonal beta-FeSe does not seem to form directly from the starting elements. Instead, a sequence of FeSe2, Fe3Se...

  7. Histotopography of the radiopharmaceuticals 75Se-selenomethionine and 75Se-selenite in critical organs of adult and embryonic mice

    International Nuclear Information System (INIS)

    Khant, S.E.; Norets, T.A.

    1981-01-01

    Adult male and pregnant mice received 75 Se-labelled methionine and selenite, resp. The critical organs and the embryos were examined histoautoradiographically at different time intervals as to the organ distribution of the radiopharmaceuticals. All organs revealed a heterogeneity of the 75 Se distribution with an intensity being unequally organo-specific and depending on the type of the radiopharmaceutical. 75 Se-selenomethionine was deposited mainly in functional areas of kidneys, liver, bone marrow and testes thus causing a long-term retention and an intensive irradiation of these organs. In the embryos 75 Se-seleno-methionine was distributed unequally preferring liver, hematopoietic areas of the bone marrow and the lens

  8. The crystal structures of jaguéite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4

    DEFF Research Database (Denmark)

    Topa, Dan; Makovicky, Emil; Balic Zunic, Tonci

    2006-01-01

    equipped with a CCD area-detector. The crystal structure of chrisstanleyite, ideally Ag2Pd3Se4, monoclinic a 5.676(2), b 10.342(4), c 6.341(2) Å, ß 114.996(4)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 8.3% for 1203 unique refl ections measured with MoK X......The crystal structure of jaguéite, ideally Cu2Pd3Se4, monoclinic, a 5.672(5), b 9.909(9), c 6.264(6) Å, ß 115.40(2)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 5.52% for 956 unique refl ections measured with MoK X-radiation on a P-4 Bruker diffractometer......(Ag)-Pd2 system of metal-metal bonds, help to stabilize the open-work structure composed of PdSe4 squares....

  9. Diversity of seM in Streptococcus equi subsp. equi isolated from strangles outbreaks.

    Science.gov (United States)

    Libardoni, Felipe; Vielmo, Andréia; Farias, Luana; Matter, Letícia Beatriz; Pötter, Luciana; Spilki, Fernando Rosado; de Vargas, Agueda Castagna

    2013-03-23

    Strangles is the main upper respiratory tract disease of horses. There are currently no studies on the changes in alleles of the M protein gene (seM) in Brazilian isolates of Streptococcus equi ssp. equi (S. equi). This study aimed to analyze and differentiate molecularly S. equi isolates from equine clinical specimens from southern Brazil, between 1994 and 2010. seM alleles were analyzed in 47 isolates of S. equi obtained from clinical cases of strangles (15 Thoroughbred horses, 29 Crioulo breed horses and three Brasileiro de Hipismo--BH). seM alleles characterization was performed by comparing variable region sequences of the seM gene. The alleles were also phylogenetically grouped by Neighbor-joining analysis, which demonstrated the geographic distribution of those in properties from southern Brazil. Fifteen alleles of the gene seM were found among the 47 S. equi isolates analyzed. Among these, only one allele (seM-61), which was identified in seven isolates (14.9%), was found in the database PubMLST-seM. Within the new alleles, allele seM-115 was the most prevalent, having been found in 13 isolates (27.7%), followed by allele seM-117 in 10 isolates (21.3%). In the Brazilian horse population studied, there is greater diversity of M protein alleles in S. equi isolates compared to worldwide data deposited in PubMLST-seM. Among the 15 seM alleles identified, only one allele sequence was previously published. The alleles identification is important to control the disease by guiding selection of strains for the manufacture of commercial and autogenous vaccines. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis

    Energy Technology Data Exchange (ETDEWEB)

    Masadeh, A S; Bozin, E S; Farrow, C L; Paglia, G; Juhas, P; Billinge, S J. L.; Karkamkar, A; Kanatzidis, M G [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116 (United States); Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1116 (United States)

    2007-09-15

    The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond length that increases with decreasing particle size being 0.5% with respect to bulk CdSe for the 2 nm diameter particles. This study demonstrates the size-dependent quantitative structural information that can be obtained even from very small nanoparticles using the PDF approach.

  11. Influence of defect structure on magnetic and electronic properties of Hg1-x Crx Se and Hg1-x Cox Se

    International Nuclear Information System (INIS)

    Prozorovskij, V.D.; Reshidova, I.Yu.; Puzynya, A.I.; Paranchich, Yu.S.

    1996-01-01

    The results of experimental investigations of the Shubnikov-de Haas oscillations at superhigh frequencies, electron spin resonance, magnetic susceptibility, relaxation dielectric losses, and galvanomagnetic measurements in the Hg 1-x Cr x Se and Hg 1-x Co x Se single crystal samples are presented. Analysis of the results Hg 1-x Cr x Se and Hg 1-x Co x Se depend on the defect structure of the substance and the type of defects making this structure. The manifestation of critical phenomena in Hg 1-x Cr x Se also depends on the defect structure

  12. Solving the shape conundrum in $^{70}$Se

    CERN Multimedia

    We propose a multi-step Coulomb-excitation study of $^{70}$Se at HIE-ISOLDE using the $^{208}$Pb( $^{70}$Se, $^{70}$Se*)$^{208}$Pb* reaction at a safe energy of 5.0 MeV/u. We aim at a precise measurement of the $\\left \\langle 2^{+}_{1} \\hspace{0.1cm} || \\hspace{0.1cm}\\hat{E}2 \\hspace{0.1cm} || \\hspace{0.1cm}2^{+}_{ 1} \\right \\rangle$ diagonal matrix element as well as gaining information on additional matrix elements. Such information will shed light onto the shape conundrum of the 2$^{+}_{1}$ state in $^{70}$Se as well as foreseeing the opportunity for a more detailed understanding of the shape-coexistence phenomenon in this region.

  13. Shear bond strength and fracture analysis of human vs. bovine teeth.

    Directory of Open Access Journals (Sweden)

    Stefan Rüttermann

    Full Text Available PURPOSE: To evaluate if bovine enamel and dentin are appropriate substitutes for the respective human hard tooth tissues to test shear bond strength (SBS and fracture analysis. MATERIALS AND METHODS: 80 sound and caries-free human erupted third molars and 80 freshly extracted bovine permanent central incisors (10 specimens for each group were used to investigate enamel and dentine adhesion of one 2-step self-etch (SE and one 3-step etch and rinse (E&R product. To test SBS the buccal or labial areas were ground plane to obtain appropriate enamel or dentine areas. SE and E&R were applied and SBS was measured prior to and after 500 thermocycles between +5 and +55°C. Fracture analysis was performed for all debonded areas. RESULTS: ANOVA revealed significant differences of enamel and dentin SBS prior to and after thermocycling for both of the adhesives. SBS- of E&R-bonded human enamel increased after thermocycling but SE-bonded did not. Bovine enamel SE-bonded showed higher SBS after TC but E&R-bonded had lower SBS. No differences were found for human dentin SE- or E&R-bonded prior to or after thermocycling but bovine dentin SE-bonded increased whereas bovine dentine E&R-bonded decreased. Considering the totalized and adhesive failures, fracture analysis did not show significances between the adhesives or the respective tooth tissues prior to or after thermocycling. CONCLUSION: Although SBS was different on human and bovine teeth, no differences were found for fracture analysis. This indicates that solely conducted SBS on bovine substrate are not sufficient to judge the perfomance of adhesives, thus bovine teeth are questionnable as a substrate for shear bond testing.

  14. Novel red-emission of ternary ZnCdSe semiconductor nanocrystals

    Science.gov (United States)

    Chung, Shu-Ru; Wang, Kuan-Wen; Chen, Hong-Shuo; Chen, Hong-Hong

    2015-02-01

    The effect of chain lengths of fatty acids on the physical properties of CdSe and ZnCdSe semiconductor nanocrystals (NCs) synthesized by the colloidal chemistry procedure is investigated. The fatty acids, lauric acid (LA), and stearic acid (SA), with different lengths of carbon chains, are used to prepare CdSe and ZnCdSe NCs when hexyldecylamine (HDA) is applied as the sole surfactant. For CdSe-SA and ZnCdSe-SA, they have the same emission wavelength at 592 nm and the same particle size of 3.3 nm; however, their quantum yield (QY) is 75 and 16 %, respectively. In contrast, the emission wavelength of CdSe-LA and ZnCdSe-LA NCs is 609 and 615 nm, the particle size is about 3.5 and 4 nm under the same reaction time, and the QY of them are 33 and 59 %, respectively. The X-ray diffraction pattern shows that ZnCdSe NCs all have the wurtzite structure, and their main peaks are located between those of pure CdSe and ZnSe materials. The main phase of ZnCdSe-SA and ZnCdSe-LA is ZnSe and CdSe, respectively, implying that alloyed ZnCdSe NC can be prepared and ZnSe and CdSe phase can be promoted by SA and LA, respectively. Moreover, the QY of red-emission ZnCdSe-LA is higher than 50 %. These results suggest that the growth rate of CdSe as well as ZnCdSe NC can be enhanced by using LA as complex reagent and HDA as sole surfactant. It is expected that the reported effective synthetic strategy can be developed as a very practical, easy and not time-consuming approach to prepare red emissive NCs with high QY and high reproducibility.

  15. Liquidus Projection and Isothermal Section of the Sb-Se-Sn System

    Science.gov (United States)

    Chang, Jui-shen; Chen, Sinn-wen

    2017-12-01

    Sb-Se-Sn ternary alloys are promising chalcogenide materials. The liquidus projection and 673.2 K (400 °C) isothermal section of the Sb-Se-Sn ternary system are determined. Numerous Sb-Se-Sn alloys are prepared, and their primary solidification phases are examined. In addition to the three terminal phases, (Sb), (Se) and (Sn), there are Sb2Sn3, SbSn, SnSe, SnSe2, Sb2Se3, Sn2Sb9Se9, and SnSb2Se4 phases. In addition, there are two miscibility gaps along the Sb-Se and Se-Sn and sides. There are ten invariant reactions in the Sb-Se-Sn ternary system, and seven of them are experimentally determined in this study. The lowest reaction temperature of determined invariant reaction is L + SbSn = (Sn) + SnSe at 515.4 K ± 5 K (242.2 °C ± 5 °C). There are nine tie-triangles, which are Liquid + SbSn + SnSe, SbSn + SnSe + (Sb), SnSe + (Sb) + Sn2Sb9Se9, (Sb) + Sb2Se3 + Sn2Sb9Se9, SnSe + Sn2Sb9Se9 + SnSb2Se4, Sb2Se3 + Sn2Sb9Se9 + SnSb2Se4, SnSe + SnSe2 + SnSb2Se4, SnSe2 + SnSb2Se4 + Sb2Se3, and SnSe2 + Sb2Se3 + Liquid in the 673.2 K (400 °C) isothermal section of the Sb-Se-Sn ternary system.

  16. A Comprehensive Study of One-Step Selenization Process for Cu(In1-x Ga x )Se2 Thin Film Solar Cells.

    Science.gov (United States)

    Chen, Shih-Chen; Wang, Sheng-Wen; Kuo, Shou-Yi; Juang, Jenh-Yih; Lee, Po-Tsung; Luo, Chih Wei; Wu, Kaung-Hsiung; Kuo, Hao-Chung

    2017-12-01

    In this work, aiming at developing a rapid and environmental-friendly process for fabricating CuIn 1-x Ga x Se 2 (CIGS) solar cells, we demonstrated the one-step selenization process by using selenium vapor as the atmospheric gas instead of the commonly used H 2 Se gas. The photoluminescence (PL) characteristics indicate that there exists an optimal location with superior crystalline quality in the CIGS thin films obtained by one-step selenization. The energy dispersive spectroscopy (EDS) reveals that the Ga lateral distribution in the one-step selenized CIGS thin film is intimately correlated to the blue-shifted PL spectra. The surface morphologies examined by scanning electron microscope (SEM) further suggested that voids and binary phase commonly existing in CIGS films could be successfully eliminated by the present one-step selenization process. The agglomeration phenomenon attributable to the formation of MoSe 2 layer was also observed. Due to the significant microstructural improvement, the current-voltage (J-V) characteristics and external quantum efficiency (EQE) of the devices made of the present CIGS films have exhibited the remarkable carrier transportation characteristics and photon utilization at the optimal location, resulting in a high conversion efficiency of 11.28%. Correlations between the defect states and device performance of the one-step selenized CIGS thin film were convincingly delineated by femtosecond pump-probe spectroscopy.

  17. First-principles study on the gas sensing property of the Ge, As, and Br doped PtSe2

    Science.gov (United States)

    Zhang, Jing; Yang, Gui; Tian, Junlong; Ma, Dongwei; Wang, Yuanxu

    2018-03-01

    Based on first-principles calculations, the adsorption behaviors of H2, O2, CO, CO2, NH3, NO, and NO2 molecules on the Ge-, As- and Br-doped PtSe2 monolayers are theoretically investigated. The results indicate that it is viable for the dopant atoms to be filled into the Se vacancies under Pt-rich conditions. Ge and As act as p-type dopants, while Br acts as n-type dopant. For the adsorption of molecules, the geometrical structures, adsorption energies, charge transfers and the electronic and magnetic properties of the most stable configurations are presented and discussed. It is found that the Ge-doped PtSe2 monolayers exhibit greatly enhanced sensitivity toward O2, CO, NH3, NO and NO2 molecules and the As-doped PtSe2 monolayers are more sensitive toward O2, NH3, NO and NO2 molecules than the pristine ones. This is evident from large adsorption energies, charge transfers, and obvious changes of the electronic states due to the molecule adsorption. However, Br doping cannot enhance the sensing sensitivity of the PtSe2 monolayer. The possible reason is that when substituting for the Se atom, the doped Br with more 4p electrons and less empty orbitals are already chemically saturated by the two of the three neighboring Pt atoms, and thus lose the ability of charge exchange with the adsorbed molecules. On the contrary, the Ge and As as p-type dopants have sizable empty 4p orbitals near the Fermi level to exchange the electrons with the adsorbed molecules, and thus form strong bonds with them.

  18. Por uma cidade que se move e se comunica: corpo, rua e improviso

    Directory of Open Access Journals (Sweden)

    Julia Saldanha Vieira de Aguiar

    2009-06-01

    Full Text Available Este trabalho trata da relação de um lugar com suas pessoas. A reflexão acontece a partir de um estudo de caso: o Camelódromo da Praça XV. O Camelódromo foi uma grande feira, que durante 40 anos ocupou um espaço importante no centro de Porto Alegre/RS. (Auto organizado e vivido principalmente pelo povo, o fenômeno se configurava em um lugar onde improviso e estética constituiam o modo de ser e agir no cotidiano da rua. Ironicamente, no início de 2009, o Camelódromo foi transferido para dentro de um prédio. Hoje, onde se desenrolava o espetáculo do imprevisível, encontra-se um estacionamento para carros. Este trabalho foi produzido nos últimos meses do Camelódromo; em um espírito de elogio à estética do improviso e à auto-organização. Buscamos articular idéias da teoria da complexidade, do urbanismo, das artes e da comunicação, para tentar compreender um pouco essa manifestação espontânea, tão característica da urbe no século XXI.

  19. Optical properties change in laser-induced Te/As{sub 2}Se{sub 3} chalcogenide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Behera, Mukta; Naik, Ramakanta [Utkal University, Department of Physics, Bhubaneswar (India)

    2016-10-15

    In the present work, we report the change in optical parameters due to the deposition and photo-induced diffusion of Te layer into the chalcogenide As{sub 2}Se{sub 3} film. The photo-diffusion creates a solid solution of As-Se-Te which has potential application in optical devices. The Te/As{sub 2}Se{sub 3} bilayer films prepared by thermal evaporation technique were studied by various experimental techniques. The photo-diffusion of Te into As{sub 2}Se{sub 3} matrix was done by 532-nm laser irradiation. The structure of the As{sub 2}Se{sub 3}, as-prepared and irradiated Te/As{sub 2}Se{sub 3} films was studied by X-ray diffraction which were amorphous in nature. The presence of all the elements was checked by energy-dispersive X-ray analysis, and the optical transmission spectra were recorded by Fourier transform infrared spectrometer. The optical band gap is reduced by the deposition and diffusion of Te into As{sub 2}Se{sub 3} film which is due to the increase in density of defect states in the gap region. The transmission is decreased, whereas the absorption efficiency is increased with the increase in disorderness. The X-ray photoelectron spectroscopy carried out on these films gives information about the bonding change due to the photo-diffusion process. Therefore, this is an important result which will open up new directions for the application of this material in semiconducting devices. (orig.)

  20. Synthesis of CdSe Quantum Dots Using Fusarium oxysporum

    Directory of Open Access Journals (Sweden)

    Takaaki Yamaguchi

    2016-10-01

    Full Text Available CdSe quantum dots are often used in industry as fluorescent materials. In this study, CdSe quantum dots were synthesized using Fusarium oxysporum. The cadmium and selenium concentration, pH, and temperature for the culture of F. oxysporum (Fusarium oxysporum were optimized for the synthesis, and the CdSe quantum dots obtained from the mycelial cells of F. oxysporum were observed by transmission electron microscopy. Ultra-thin sections of F. oxysporum showed that the CdSe quantum dots were precipitated in the intracellular space, indicating that cadmium and selenium ions were incorporated into the cell and that the quantum dots were synthesized with intracellular metabolites. To reveal differences in F. oxysporum metabolism, cell extracts of F. oxysporum, before and after CdSe synthesis, were compared using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE. The results suggested that the amount of superoxide dismutase (SOD decreased after CdSe synthesis. Fluorescence microscopy revealed that cytoplasmic superoxide increased significantly after CdSe synthesis. The accumulation of superoxide may increase the expression of various metabolites that play a role in reducing Se4+ to Se2− and inhibit the aggregation of CdSe to make nanoparticles.

  1. Thallium(I copper(I thorium(IV triselenide, TlCuThSe3

    Directory of Open Access Journals (Sweden)

    James A. Ibers

    2012-07-01

    Full Text Available Thallium(I copper(I thorium(IV triselenide, TlCuThSe3, crystallizes with four formula units in the space group Cmcm in the KCuZrS3 structure type. There is one crystallographically independent Th, Tl, and Cu atom at a site of symmetry 2/m.., m2m, and m2m, respectively. There are two crystallographically independent Se atoms at sites of symmetry m.. and m2m. The structure consists of sheets of edge-sharing ThSe6 octahedra and CuSe4 tetrahedra stacked parallel to the (010 face, separated by layers filled with chains of Tl running parallel to [100]. Each Tl is coordinated by a trigonal prism of Se atoms.

  2. The variability of SE2 tide extracted from TIMED/SABER observations

    Science.gov (United States)

    Li, X.; Wan, W.; Ren, Z.

    2017-12-01

    Based on the temperature observations of the TIMED/SABER in mesosphere/lower thermosphere region (70-110 km altitudes) and at the low latitude and midlatitude (45°S-45°N) from 2002 to 2012, the variability of the nonmigrating tide SE2 with 1 day resolution is analyzed. It is found that the climatological features (large-scale variability) of the semidiurnal nonmigrating tide with zonal wave number 2 (SE2) tide are similar with the results from the previous research works. The SE2 tide manifests mainly at the low-mid latitudes around ±30°. The northern hemisphere tidal amplitudes below 110 km are larger than the southern hemisphere tide. SE2 peaks below 110 km mainly present between 100 and 110 km altitude. The tidal amplitudes below 110 km occur a north-south asymmetry about the equator in the annual variation: in the southern hemisphere, SE2 occurs with an obvious annual variation with a maximum of tidal amplitudes in December, while in the northern one, the semiannual variations with maximum at the equinoxes. Herein, owing to the high-resolution tidal data, we could research the short-term (day-to-day) variations of SE2. We found that the day-to-day variations manifest mainly at between 100 and 110 km altitudes; it increases gradually with latitudes, and it is stronger at the low-mid latitudes; it is relatively slightly stronger around solstices than equinoxes; and it does not present a remarkably interannual variation. The SE2 day-to-day variations may be composed by the absolute amplitudes' variance and the impact of the wave phases, and the latter ones are more important.

  3. Mechanical and magneto-electronic properties of half-metallic ferromagnetism in Ti-doped ZnSe and CdSe alloys: Ab initio study

    Science.gov (United States)

    El Amine Monir, Mohammed; Ullah, Hayat; Baltach, Hadj; Gulbahar Ashiq, M.; Khenata, R.

    2017-11-01

    In this article we have studied the structural, elastic, electronic and magnetic properties of Zn1-xTixSe and Cd1-xTixSe alloys at (x = 0.25, 0.50, 0.75) using first principles density functional theory calculations with local spin density approximation (LSDA) and generalized gradient approximation plus Hubbard parameter (GGA+U) as exchange-correlation potential. The physical properties of both alloys were investigated in the zinc-blend phase. The structural parameters at equilibrium are consistent with experimental and earlier theoretical predictions. The elastic constants are also computed and compared with the literature. The DOS curves of Zn1-xTixSe and Cd1-xTixSe alloys for all the concentrations show the existence of hybridization among Ti (3d) and Se (4p) states. The calculated exchange constants N0α(s-d) and N0β (p-d) are useful to determine the contribution in the valence band and conduction band and are also shows the magnetic character of these alloys. In addition, the p-d hybridization in the PDOS reduces local magnetic moment of Ti from its free space charge of 2 μB and results small magnetic moments on the nonmagnetic Zn, Cd and Se sites. The calculated negative values of formation energy (Ef) reveal that all the Zn1-xTixSe and Cd1-xTixSe alloys are thermodynamically stables. A larger/Smaller value of Curie temperature (TC) for all the Zn1-xTixSe and Cd1-xTixSe alloys shows the strong/low interaction among the magnetic atoms respectively.

  4. Microbial Precipitation of Cr(III)-Hydroxide and Se(0) Nanoparticles During Anoxic Bioreduction of Cr(VI)- and Se(VI)-Contaminated Water.

    Science.gov (United States)

    Kim, Yumi; Oh, Jong-Min; Roh, Yul

    2017-04-01

    This study examined the microbial precipitations of Cr(III)-hydroxide and Se(0) nanoparticles during anoxic bioreductions of Cr(VI) and Se(VI) using metal-reducing bacteria enriched from groundwater. Metal-reducing bacteria enriched from groundwater at the Korea Atomic Energy Research Institute (KAERI) Underground Research Tunnel (KURT), Daejeon, S. Korea were used. Metal reduction and precipitation experiments with the metal-reducing bacteria were conducted using Cr(VI)- and Se(VI)-contaminated water and glucose as a carbon source under an anaerobic environment at room temperature. XRD, SEM-EDX, and TEM-EDX analyses were used to characterize the mineralogy, crystal structure, chemistry, shape, and size distribution of the precipitates. The metal-reducing bacteria reduced Cr(VI) of potassium chromate (K₂CrO₄) to Cr(III) of chromium hydroxide [Cr(OH)3], and Se(VI) of sodium selenate (Na₂SeO₄) to selenium Se(0), with changes of color and turbidity. XRD, SEM-EDX, and TEM-EDX analyses revealed that the chromium hydroxide [Cr(OH)₃] was formed extracellularly with nanoparticles of 20–30 nm in size, and elemental selenium Se(0) nanoparticles had a sphere shape of 50–250 nm in size. These results show that metal-reducing bacteria in groundwater can aid or accelerate precipitation of heavy metals such as Cr(VI) and Se(VI) via bioreduction processes under anoxic environments. These results may also be useful for the recovery of Cr and Se nanoparticles in natural environments.

  5. Ud at se med Erasmus

    DEFF Research Database (Denmark)

    Frandsen, Pernille

    2009-01-01

    Få lidt luft under vingerne, kom ud at møde udenlandske kolleger og se, hvordan man også kan lave uddannelsesbibliotek. Med begejstring fortæller tre bibliotekarer om deres oplevelser i det store udland – alt sammen finansieret af Erasmus.......Få lidt luft under vingerne, kom ud at møde udenlandske kolleger og se, hvordan man også kan lave uddannelsesbibliotek. Med begejstring fortæller tre bibliotekarer om deres oplevelser i det store udland – alt sammen finansieret af Erasmus....

  6. Effects of hydrostatic pressure on the thermoelectric properties of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds: an ab initio study

    Science.gov (United States)

    Elsayed, H.; Olguín, D.; Cantarero, A.

    2017-12-01

    This work presents an ab initio study of the effects of hydrostatic pressure on the Seebeck coefficients and thermoelectric power factors of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds. Our study is performed using the semi-classical Boltzmann theory and the rigid band approach. The electronic band structures of these materials are calculated using the full-potential linearized augmented plane-wave method. The obtained thermoelectric properties are discussed in terms of the results of the electronic structure calculations. As we will show, our calculated Seebeck coefficient values indicate that these materials are good alternatives to other well-studied thermoelectric systems.

  7. VerSeDa: vertebrate secretome database.

    Science.gov (United States)

    Cortazar, Ana R; Oguiza, José A; Aransay, Ana M; Lavín, José L

    2017-01-01

    Based on the current tools, de novo secretome (full set of proteins secreted by an organism) prediction is a time consuming bioinformatic task that requires a multifactorial analysis in order to obtain reliable in silico predictions. Hence, to accelerate this process and offer researchers a reliable repository where secretome information can be obtained for vertebrates and model organisms, we have developed VerSeDa (Vertebrate Secretome Database). This freely available database stores information about proteins that are predicted to be secreted through the classical and non-classical mechanisms, for the wide range of vertebrate species deposited at the NCBI, UCSC and ENSEMBL sites. To our knowledge, VerSeDa is the only state-of-the-art database designed to store secretome data from multiple vertebrate genomes, thus, saving an important amount of time spent in the prediction of protein features that can be retrieved from this repository directly. VerSeDa is freely available at http://genomics.cicbiogune.es/VerSeDa/index.php. © The Author(s) 2017. Published by Oxford University Press.

  8. Raman scattering and structural analysis of electrodeposited CuInSe2 and S-rich quaternary CuIn(S,Se)2 semiconductors for solar cells

    International Nuclear Information System (INIS)

    Izquierdo-Roca, Victor; Fontane, Xavier; Morante, Joan Ramon; Saucedo, Edgardo; Ruiz, Carmen M.; Grand, Pierre-Philippe; Jaime-Ferrer, Jesus Salvador; Bermudez, Veronica; Calvo-Barrio, Lorenzo; Alvarez-Garcia, Jacobo; Perez-Rodriguez, Alejandro

    2009-01-01

    This work reports the Raman scattering characterisation of CuInSe 2 precursors grown by single step electrodeposition and the corresponding layers recrystallised under sulphurising conditions for solar cell devices. The analysis of the spectra measured on the as-grown precursors has allowed identifying the main secondary phases in these layers with elemental Se, Cu-Se phases and chalcopyrite Cu-poor ordered vacancy domains. To deepen in the identification of the Cu-Se phases, these measurements have been correlated with the analysis of binary Cu-Se layers. The experimental data indicate that formation of both Se and Cu-Se phases is likely controlled by the Se content in the layers. For values of stoichiometry below 1.15, excess Cu in the layers is accommodated in a phase with very low Raman efficiency (as Cu 2 Se). Increasing the content of Se leads to an increase in the spectral contribution from both Se and Cu 2-x Se, being the formation of these phases likely favoured under high excess Se conditions. The characterisation of the corresponding recrystallised layers has allowed analysing the impact of the presence of the secondary phases in the as-grown absorbers on the performance of the final solar cells. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Seed-mediated direct growth of CdSe nanoclusters on substrates

    International Nuclear Information System (INIS)

    Pan Shangke; Ebrahim, Shaker; Soliman, Moataz; Qiao Qiquan

    2013-01-01

    Different shapes of CdSe nanostructures were obtained by hydrothermal method with varied Se sources and buffer layers. Hexagonal nanoparticles of CdSe with Wurtzite structure were synthesized from Se powder resource, while CdSe nanoclusters with Wurtzite structure were grown from Na 2 SeO 3 aqueous solution resources at 165 °C using cetyltrimethylammonium bromide as surfactant. Using ZnO nanoparticles as a seed layer, CdSe nanostructures only partially covered the indium tin oxide (ITO) substrates. With ZnO/CdSe quantum dots composite seed layer, CdSe nanostructures fully covered the ITO substrates.

  10. Exotic topological insulator states and topological phase transitions in Sb2Se3-Bi2Se3 heterostructures

    KAUST Repository

    Zhang, Qianfan; Zhang, Zhiyong; Zhu, Zhiyong; Schwingenschlö gl, Udo; Cui, Yi

    2012-01-01

    in controlling the electronic properties of semiconductor devices, are interesting for topological insulators. Here, we studied the spatial distribution of the topological state in Sb 2Se 3-Bi 2Se 3 heterostructures by first-principle simulation and discovered

  11. The synthesis and photocatalytic activity of ZnSe microspheres

    International Nuclear Information System (INIS)

    Cao Huaqiang; Xiao Yujiang; Zhang Sichun

    2011-01-01

    This paper reports the synthesis of semiconductor ZnSe microspheres composed of nanoparticles via a solvothermal route between the organic molecule selenophene (C 4 H 4 Se) and ZnCl 2 without adding any surfactant. The ZnSe microspheres were characterized by x-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), specific surface area measurement, and photoluminescence (PL) spectra. A strong and broad blue PL emission at 443 nm in wavelength (∼2.79 eV in photon energy) is attributed to the near-band-edge (NBE) emission of ZnSe, while the 530 nm peak is a defect-related (DL) emission. The photocatalytic activity of the as-prepared ZnSe microspheres was evaluated by photodegradation of methyl orange (MO) dye under ultraviolet (UV) light and visible light irradiation. The degradations of MO reach 94% or 95.1%, close to 100%, in the presence of the as-synthesized ZnSe microspheres or commercial ZnSe powder after 7 or 10 h under UV irradiation, respectively. Meanwhile the degradations of MO reach 94.3% or 60.6% in the presence of the as-synthesized ZnSe microspheres or commercial ZnSe powder after 12 h, respectively. The degradation rate of ZnSe microspheres is twice that of ZnSe commercial powder under UV light irradiation, and three times under visible light irradiation. The degradation process of MO dye on ZnSe microspheres under UV or visible light is also discussed.

  12. Structure cristalline du composé Hg3-xSbx(S+Se2+xI2-x (x ≃ 0.1

    Directory of Open Access Journals (Sweden)

    Mohammed Kars

    2016-03-01

    Full Text Available Single crystals of the mercury chalcohalide Hg3-xSbx(S+Se2+xI2-x (x ≃ 0.1 (mercury antimony sulfide selenide iodide, were grown by a chemical transport reaction. The structure contains three independent A (Hg/Sb atoms; each atom is strongly covalently bonded with two X (Se/S atoms to form approximately linear X–A–X units. The X–A–X units link to form A4X4 rings, which are combined into infinite crankshaft-type bands running along the [100] direction. Four equatorial E (I/X = Se,S atoms at relatively long distances complete the distorted octahedral coordination of A (Hg/Sb. The crystal under investigation was twinned by non-merohedry with a refined twin domain fraction of 0.814 (6:0.186 (6. The structure is isotypic with Hg3Se2I2 [Beck & Hedderich (2000. J. Solid State Chem. 151, 73–76], but the current determination reveals a coupled substitution, with partial replacement of Hg+2 by Sb+3, balanced by the equivalent substitution of I−1 by S−2 and Se−2. Bond-valence calculations are consistent with this relative substitution model.

  13. ¿Y, cómo se hacen?

    Directory of Open Access Journals (Sweden)

    Juan Ruiz

    2015-01-01

    Full Text Available El mundo de los dibujos animados es producto de la imaginación, de la fantasía que vuela en los sueños de los hombres de cualquier edad. El artículo relata la forma en cómo estos simpáticos personajes, que vemos a diario en el cine o la televisión, pueden moverse tan libremente y con tanto desenfado. Se parte de la idea o argumento, el guionista narra la historia de lo que será el animado. Luego el director con un dibujante trazan las escenas principales de la historia (storyboard o guión dibujado se discute con los artistas y realizadores del filme; una vez aprobado este se perfila el diseño de los personajes, se realiza la escenografía (maquetas de ser necesario. Se hacen los parlamentos o diálogos de los personajes para que actores(as pongan las voces y sigue el proceso más fino y técnico.

  14. The influence of CdSe and ZnSe nanoparticles on the optical properties of Sm"3"+ ions in lead borate glasses

    International Nuclear Information System (INIS)

    Mallur, Saisudha B.; Heidorn, William D.; Fatokun, Stephen O.; Joshi, Krishna D.; Bista, Sandip S.; Babu, Panakkattu K.

    2017-01-01

    The effect of glass composition and the presence of CdSe/ZnSe nanoparticles (NPs) on the optical absorption and fluorescence of Sm-doped lead borate glasses are studied. Three sets of glass samples xPbO:(99.5-x) B_2O_3:0.5Sm_2O_3, x = 29.5–69.5 mol%, xPbO:(96.5-x) B_2O_3:0.5Sm_2O_3: 3CdSe/ZnSe, x = 36.5, and 56.5 mol% are prepared. NPs are grown by annealing these glasses just below the glass transition temperature. Average size of both types of NPs increases with annealing time; however, CdSe NPs grew to a larger size range (2 to 20 nm) compared to ZnSe NPs (1 to 16 nm). We analyzed the hypersensitive transition, intensity parameters, radiative transition probability, stimulated emission cross section (σ_p), and the area ratio of the electric dipole/magnetic dipole transitions of Sm"3"+. The intensity parameters show a minimum at 11 h annealing for 36.5 mol% and a maximum for the same annealing duration in 56.5 mol% PbO containing CdSe NPs. The σ_p for 56.5 mol% of PbO with CdSe NPs is found to be a maximum when the average NP size is around 14 nm. ZnSe NPs containing glasses also show significant changes in σ_p when the average particle size is ~16 nm, for 36.5 mol% PbO. Our results suggest that the optical properties of Sm"3"+ in lead borate glasses are sensitive to its electronic environment which can be modified by varying the base glass composition and/or incorporating large NPs of CdSe/ZnSe. The large σ_p values that we observe for some of the glass compositions make them attractive materials for photonic devices and photovoltaic applications.

  15. Kinetics of crystal growth in amorphous solid and supercooled liquid TeSe20 using DTA and d.c. conductivity measurements

    International Nuclear Information System (INIS)

    Kotkata, M.F.; Mahmoud, E.A.; El-Mously, M.K.

    1979-07-01

    Curves of reaction rate versus temperature for constant heating rates (phi=1-10 0 C/min) constructed by analytical methods have been used to demonstrate the crystallization kinetics of amorphous solid TeSe 20 . The devitrification process takes place with predominance of random nucleation and one-dimensional growth, and is limited by combined switching and splitting of the chemical bonds. The mean value for the activation energy of the amorphous-crystal transformation, average E, is found to be 64 Kcal/mole. While, the quantity E calculated on the basis of d.c. conductivity changes during different isothermal crystallization (120-175 0 C) in supercooled liquid TeSe 20 , amounts to 11.5 Kcal/mole and suggests the existence of mixed chains in the liquid alloys. (author)

  16. Variation of Se, Zn, Co, Fe and Rb distribution in rats upon sequence of injection with SeO2 and glutathione

    International Nuclear Information System (INIS)

    Czauderna, M.; Samochocka, K.; Kwiathkowska, J.

    1984-01-01

    The contents of Se, Zn, Co, Fe and Rb in several organs of Wistar rats were determined by instrumental neutron activation analysis (INAA) after injections of SeO 2 and glutathione (GSH). Se was incorporated in all the examined organs, and the efficiency of incorporation does not depend upon the sequence of injection with SeO 2 and GSH. The sequence of these injections affects the contents of the other elements in all the examined organs. (author)

  17. Instantaneous preparation of CuInSe2 films from elemental In, Cu, Se particles precursor films in a non-vacuum process

    International Nuclear Information System (INIS)

    Kaigawa, R.; Uesugi, T.; Yoshida, T.; Merdes, S.; Klenk, R.

    2009-01-01

    CuInSe 2 (CIS) films are successfully prepared by means of non-vacuum, instantaneous, direct synthesis from elemental In, Cu, Se particles precursor films without prior synthesis of CIS nanoparticle precursors and without selenization with H 2 Se or Se vapor. Our precursor films were prepared on metal substrates by spraying the solvent with added elemental In, Cu, and Se particles. Precursor films were instantaneously sintered using a spot welding machine. When the electric power was fixed to 0.6 kVA, elemental In, Cu, or Se peaks were not observed and only peaks of CIS are observed by X-ray diffraction (XRD) on the film sintered for 7/8 s. We can observe XRD peaks indicative of the chalcopyrite-type structure, such as (101), (103) and (211) diffraction peaks. We conclude that the synthesized CIS crystals have chalcopyrite-type structure with high crystallinity

  18. Defect complexes formed with Ag atoms in CDTE, ZnTe, and ZnSe

    CERN Document Server

    Wolf, H; Ostheimer, V; Hamann, J; Lany, S; Wichert, T

    2000-01-01

    Using the radioactive acceptor $^{111}\\!$Ag for perturbed $\\gamma$-$\\gamma$-angular correlation (PAC) spectroscopy for the first time, defect complexes formed with Ag are investigated in the II-VI semiconductors CdTe, ZnTe and ZnSe. The donors In, Br and the Te-vacancy were found to passivate Ag acceptors in CdTe via pair formation, which was also observed in In-doped ZnTe. In undoped or Sb-doped CdTe and in undoped ZnSe, the PAC experiments indicate the compensation of Ag acceptors by the formation of double broken bond centres, which are characterised by an electric field gradient with an asymmetry parameter close to h = 1. Additionally, a very large electric field gradient was observed in CdTe, which is possibly connected with residual impurities.

  19. Explaining the Principle of Mala in Se

    DEFF Research Database (Denmark)

    Dige, Morten

    2012-01-01

    Certain methods and weapons are traditionally considered to be "mala in se", i.e. evil in themselves. Examples are mass rape campaigns and land mines. The article examines different interpretations of the principle that belligerents ought not to use such means. Some interpretations are reductionist...... in the sense that they see the principle as an instance of other principles regulating conduct in war (jus in bello), namely the principles of discrimination and proportionality. I suggest a horizontal and a vertical dimension of the latter. Resort to violence can then be unjustified if 1) the persons......-one should have to endure. I defend the vertical dimension of proportionality as a key to understanding the principle of mala in se and consider whether it leads to an absolute prohibition against such means...

  20. [75Se]Selenomethionine scanning for parathyroid localization should be abandoned

    International Nuclear Information System (INIS)

    Waldorf, J.C.; van Heerden, J.A.; Gorman, C.A.; Grant, C.S.; Wahner, H.W.

    1984-01-01

    Image subtraction techniques, in conjunction with [75Se]selenomethionine (75Se) scintigraphy, have recently been suggested to be a potentially valuable tool for localization of parathyroid abnormalities. With use of these techniques, we prospectively studied 15 patients scheduled for parathyroid operations. Postoperatively, all were normocalcemic. Anterior scintiscans of the neck were divided into quadrants, and regions of enhanced uptake were assigned to one or more quadrants. On this basis, by chance alone a minimum of 25% of single-gland enlargements would be assigned to the correct quadrant of the neck. We found that by use of 75Se scanning only 8 of 22 abnormal glands (36%) were assigned to the quadrant of the neck in which they were found intraoperatively. In no case was a clearly visualized focus of parathyroid activity encountered. These results do not justify the continued use of 75Se scintigraphy with or without image subtraction in the preoperative localization of parathyroid glands

  1. Layer structured bismuth selenides Bi2Se3 and Bi3Se4 for high energy and flexible all-solid-state micro-supercapacitors

    Science.gov (United States)

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2018-02-01

    In this work, bismuth selenides (Bi2Se3 and Bi3Se4), both of which have a layered rhombohedral crystal structure, have been found to be useful as electrode materials for supercapacitor applications. In a liquid electrolyte system (6M KOH), Bi2Se3 nanoplates exhibit much better performance as an electrode material than Bi3Se4 nanoparticles do, delivering a higher specific capacitance (272.9 F g-1) than that of Bi3Se4 (193.6 F g-1) at 5 mV s-1. This result may be attributed to the fact that Bi2Se3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to their planar quintuple stacked layers (septuple layers for Bi3Se4). To meet the demands of electronic skin, we used a novel flexible annular interdigital structure electrode to support the all-solid-state micro-supercapacitors (AMSCs). The Bi2Se3 AMSC device delivers a much better supercapacitor performance, exhibits a large stack capacitance of 89.5 F cm-3 at 20 mV s-1 (Bi3Se4: 79.1 F cm-3), a high energy density of 17.9 mWh cm-3 and a high power density of 18.9 W cm-3. The bismuth selenides also exhibit good cycle stability, with 95.5% retention after 1000 c for Bi2Se3 (Bi3Se4:90.3%). Clearly, Bi2Se3 nanoplates can be promising electrode materials for flexible annular interdigital AMSCs.

  2. One pot synthesis, growth mechanism and optical properties of Zn{sub 1-x}Cd{sub x}Se graded core/shell and alloy nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Sonawane, Kiran G. [Department of Physics, University of Pune, Pune 411 007 (India); Patil, K.R. [Centre for Materials Characterization, National Chemical Laboratory, Pune 411 008 (India); Mahamuni, Shailaja, E-mail: shailajamahamuni@yahoo.co.in [Department of Physics, University of Pune, Pune 411 007 (India)

    2013-03-15

    Comparatively higher photoluminescence yield along with robustness of core/shell semiconductor nanocrystals make them attractive candidates for studying intricate quantum size effects. Here, we report, one pot synthesis of Zn{sub 1-x}Cd{sub x}Se graded core/shell structures by exploiting change in the reactivity of precursors. Optical and structural measurements indicate formation of graded structure. Growth mechanism probed by inductively coupled plasma atomic emission spectroscopy shows formation of graded core/shell structure, with CdSe rich core and ZnSe rich shell. Annealing these nanocrystals, in chemical bath, leads to diffusion of Cd from core to shell region. Formation of Zn{sub 1-x}Cd{sub x}Se alloy is also observed in X-ray photoelectron spectroscopic measurements, confirming the diffusion of Cd from core to shell region. Substantially high photoluminescence quantum efficiency of 60% with narrow line width of about 27 nm, was observed and is attributable to the reduced strain due to graded core/shell structure. - Highlights: Black-Right-Pointing-Pointer Graded CdSe/ZnSe core-shell nanocrystals are synthesized exploiting reactivity of precursors. Black-Right-Pointing-Pointer Growth mechanism is probed using ICP-AES spectroscopy. Black-Right-Pointing-Pointer Reduced strain leads to luminescence efficiency as high as 60%. Black-Right-Pointing-Pointer Alloy formation by annealing in chemical bath is probed using XPS.

  3. Optical band gap study of a-Se and Se-Sb thin films

    International Nuclear Information System (INIS)

    Kaur, Ramandeep; Singh, Palwinder; Thakur, Anup

    2016-01-01

    Amorphous selenium (a-Se) and a-Se_9_5Sb_5 alloy were prepared using melt quenching technique. X-ray diffraction (XRD) pattern confirmed the amorphous nature of the prepared samples. Composition of the prepared samples has been determined using Energy dispersive X-ray fluorescence (EDXRF) technique. Differential thermal analysis (DTA) confirmed the glassy nature of the prepared samples. Thin films of the prepared samples were deposited on glass substrate using thermal evaporation method. Amorphous nature of the deposited films was confirmed using XRD. Optical properties of these films were obtained from the UV-VIS transmission spectra, at normal incidence, over 200-1100 nm spectral range. The optical absorption edge was described by using the model given by the Tauc. Optical band gap of the deposited films was calculated using Tauc plot. Optical characterization showed that average transmission and optical band gap decreased with the addition of antinomy.

  4. de drogas que se consumen en su medio

    Directory of Open Access Journals (Sweden)

    José F. Enríquez Bielma

    2006-01-01

    Full Text Available Las adicciones son un problema de salud pública. Se estima que en México 3.5 millones de personas entre 12 a los 65 años han consumido algún tipo de drogas. A pesar de los avances en los estudios, se ha dejado de lado el carácter cultural que tiene la adicción. Con este estudio, se deseba conocer qué saben los estudiantes de segundo de secundaria sobre cuáles son las drogas que se consumen en su medio. Se llevó a cabo un estudio observacional con un muestreo aleatorio, con múltiples etapas y proporcional al tamaño en escuelas públicas y privadas. En total se estudiaron 42 escuelas del municipio de León, Gto., México de las cuales el 76.2% lo conformaron las escuelas públicas y el resto las escuelas privadas. Refirieron que conocen que se consumen, en su medio, 11 tipos de drogas. El 88% mencionó a la cocaína en primer lugar, en segundo lugar con un 85% la marihuana, siguiendo las tachas en un 62% y el pegamento en un 49%. En cuanto a los nombres que los estudiantes le dan a las drogas, estos van desde 23 hasta los 4 nombres, siendo la marihuana a la que se le da el mayor número de nombres, seguidos de la cocaína y el éxtasis.

  5. Structural properties of In2Se3 precursor layers deposited by spray pyrolysis and physical vapor deposition for CuInSe2 thin-film solar cell applications

    International Nuclear Information System (INIS)

    Reyes-Figueroa, P.; Painchaud, T.; Lepetit, T.; Harel, S.; Arzel, L.; Yi, Junsin; Barreau, N.; Velumani, S.

    2015-01-01

    The structural properties of In 2 Se 3 precursor thin films grown by chemical spray pyrolysis (CSP) and physical vapor deposition (PVD) methods were compared. This is to investigate the feasibility to substitute PVD process of CuInSe 2 (CISe) films by CSP films as precursor layer, thus decreasing the production cost by increasing material-utilization efficiency. Both films of 1 μm thickness were deposited at the same substrate temperature of 380 °C. X-ray diffraction and Raman spectra confirm the formation of γ-In 2 Se 3 crystalline phase for both films. The PVD and CSP films exhibited (110) and (006) preferred orientations, respectively. The PVD films showed a smaller full width at half maximum value (0.09°) compared with CSP layers (0.1°). Films with the same crystalline phase but with different orientations are normally used in the preparation of high quality CISe films by 3-stage process. Scanning electron microscope cross-section images showed an important difference in grain size with well-defined larger grains of size 1–2 μm in the PVD films as compared to CSP layers (600 nm). Another important characteristic that differentiates the two precursor films is the oxygen contamination. X-ray photoelectron spectroscopy showed the presence of oxygen in CSP films. The oxygen atoms could be bonded to indium by replacing Se vacancies, which are formed during CSP deposition. Taking account of the obtained results, such CSP films can be used as precursor layer in a PVD process in order to produce CISe absorber films. - Highlights: • To find the intricacies involved in spray pyrolysis (CSP) and physical vapor (PVD) deposition. • Comparison of CSP and PVD film formations — especially in structural properties. • Feasibility to substitute CSP (cheaper) films for PVD in the manufacturing process. • Decreasing the global production cost of Cu(In,Ga)Se 2 devices in the 3-stage process

  6. Future strategy of SE

    International Nuclear Information System (INIS)

    Arcelli, M.

    2006-01-01

    In this presentation author (General Director of Slovenske elektrarne, a. s.) presents structure and investment plans of SE. The feasibility study of construction of the blocks 3 and 4 of the Mochovce NPP is presented

  7. Diffusion behavior for Se and Zr in sodium-bentonite

    International Nuclear Information System (INIS)

    Sato, Haruo; Yui, Mikazu; Yoshikawa, Hideki

    1995-01-01

    Apparent diffusion coefficients for Se and Zr in bentonite were measured by in-diffusion method at room temperature using water-saturated sodium-bentonite, Kunigel V1 reg-sign containing 50wt% Na-smectite as a major mineral was used as the bentonite material. The experiments were carried out in the dry density range of 400--1,800 kg/m 3 . Bentonite samples were immersed with distilled water and saturated before the experiments. The experiments for Se were carried out under N 2 atmospheric condition (O 2 : 2.5ppm). Those for Zr were carried out under aerobic condition. The apparent diffusion coefficients decrease with increasing density of the bentonite. Since dominant species of Se in the pore water is predicted to be SeO 3 2- , Se may be retarded by anion-exclusion because of negative charge on the surface of the bentonite and little sorption. The dominant species of Zr in the porewater is predicted to be Zr(OH) 5 - or HZrO 3 - . Distribution coefficient measured for Zr on the bentonite was about 1.0 m 3 /kg from batch experiments. Therefore, the retardation may be caused by combination of the sorption and the anion-exclusion. A modeling for the diffusion mechanisms in the bentonite were discussed based on an electric double layer theory. Comparison between the apparent diffusion coefficients predicted by the model and the measured ones shows a good agreement

  8. Thermoelectric and mechanical properties of spark plasma sintered Cu3SbSe3 and Cu3SbSe4: Promising thermoelectric materials

    Science.gov (United States)

    Tyagi, Kriti; Gahtori, Bhasker; Bathula, Sivaiah; Toutam, Vijaykumar; Sharma, Sakshi; Singh, Niraj Kumar; Dhar, Ajay

    2014-12-01

    We report the synthesis of thermoelectric compounds, Cu3SbSe3 and Cu3SbSe4, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu3SbSe4 exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu3SbSe3, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu3SbSe4 was found to be ˜1.2 as compared to 0.2 V-1 for Cu3SbSe3 at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracture toughness values were far superior to the other competing state-of-the-art thermoelectric materials.

  9. Determination of total, and bound Se in sera by INAA

    International Nuclear Information System (INIS)

    Spate, V.L.; Mason, M.M.; Reams, C.L.; Baskett, C.K.; Morris, J.S.; Mills, D.S.

    1994-01-01

    The comparison between the total selenium in serum ('total Se') with that which is apparently bound to high molecular weight (> 12.000 D) species, presumably proteins ('bound Se') was reported. Nine hundred seventy seven (977) serum samples arising out of a population-based epidemiological study were prepared in duplicate for the determination of 'total Se' by pipeting directly into irradiation vials; and separate duplicate aliquots were dialyzed against DI water for the determination of 'bound Se'. All samples were analyzed by neutron activation analysis via 77m Se (17.4s) A small dialyzable Se component (∼ 6%) ('free Se'), defined as the difference between the 'total Se' minus the 'bound Se', was identified. (author) 2 refs.; 3 figs.; 5 tabs

  10. Structural and optical properties of CdSe nanosheets

    Science.gov (United States)

    Solanki, Rekha Garg; Rajaram, P.; Arora, Aman

    2018-04-01

    Nanosheets of CdSe have been synthesized using a solvothermal route using citric acid as an additive. It is found that the citric acid effectively controls the structural and optical properties of CdSe nanostructures. XRD studies confirm the formation of hexagonal wurtzite phase of CdSe. The FESEM micrographs show that the obtained CdSe nanocrystals are in the form of very thin sheets (nanosheets). Optical absorption studies as well as Photoluminescence spectra show that the optical gap is around 1.76 eV which is close to the reported bulk value of 1.74 eV. The prepared CdSe nanosheets because of large surface area may be useful for catalytic activities in medicine, biotechnology and environmental chemistry and in biomedical imaging for in vitro detection of a breast cancer cells.

  11. Análisis de las dependencias composicionales de las propiedades opticas de láminas semiconductoras amorfas del sistema As-S-Se

    Directory of Open Access Journals (Sweden)

    González-Leal, J. M.

    2004-04-01

    Full Text Available Amorphous As40S60-xSex (x = 0, 20, 30, 40 and 60 at. % films have been prepared by vacuum thermal evaporation. Values for the refractive index and the absorption coefficient of these films have been determined from their transmission spectra, measured at normal incidence, in the spectral range from 400 to 2200 nm. It has been found that the refractive index of the samples increases with increasing Se content, over the entire spectral range. This behaviour can be explained, according to the Lorentz-Lorenz relationship, by the increased polarizability of the larger Se atoms, in comparison with S atoms. The values of the As effective coordination number, Nc, have been estimated from the analysis of the dispersion of the refractive index, in terms of a model based on the single-oscillator formula. The increase in Nc with increasing Se content, from around 3.0 to 3.4, which has been inferred from this analysis, suggests an increase in the structural compactness of the films when substituting S by Se. This conclusion is supported by the decrease observed in the intensity of the first sharp diffraction peak, in the X-ray patterns. Finally, it has been found a decrease in the optical bandgap with increasing Se content, from 2.38 to 1.79 eV, which can be plausibly explained considering the lower bonding energy of As-Se bonds compared with that of As-S bonds.

    Se
    han preparado láminas semiconductoras amorfas de composiciones químicas As40S60-xSex (con x = 0, 20, 30, 40 y 60 % at., mediante la técnica de evaporación térmica en vacío. Los valores del índice de refracción y del coeficiente de absorción de estas láminas, se determinaron a partir de los espectros de transmisión óptica, obtenidos en incidencia normal, en el intervalo espectral comprendido entre 400 y 2200 nm. Se ha encontrado un aumento en los valores del índice de refracción con el contenido de Se, dentro del intervalo espectral en estudio. El análisis de la dependencia

  12. The photodiode of UV-range on the basis of ZnSe

    Directory of Open Access Journals (Sweden)

    Perevertailo V. L.

    2010-03-01

    Full Text Available The construction and technology of Shottky photodiode on the basis of ZnSe, sensible in the ultraviolet region of spectrum are considered. Researches of electrophysical and photo-electric descriptions of photodiodes of Shottky Nі–ZnSe(Te,O–Іn are conducted and it is shown, that they can be applied in devices for radiometry and dissymmetry UV radiations in the ranges UVA, UVB and UVC. Comparison of parameters of developed UV photodiodes based on ZnSe with analogues showed that small capacitance and low value of dark current is their substantial difference of other ones.

  13. Continued selenium biofortification of carrots and broccoli grown in soils once amended with Se-enriched S. pinnata

    Directory of Open Access Journals (Sweden)

    Gary S. Bañuelos

    2016-08-01

    Full Text Available Selenium (Se biofortification has been practiced in Se-deficient regions throughout the world primarily by adding inorganic sources of Se to the soil. Considering the use of adding organic sources of Se could be useful as an alternative Se amendment for the production of Se-biofortified food crops. In this multi-year micro-plot study, we investigate growing carrots and broccoli in soils that had been previously amended with Se-enriched Stanleya pinnata Pursh (Britton three and four years prior to planting one and two, respectively. Results showed that total and extractable Se concentrations in soils (0-30 cm were 1.65 mg kg-1 and 88 µg L-1, and 0.92 mg kg-1 and 48.6 µg L-1 at the beginning of the growing season for planting one and two, respectively. After each respective growing season, total Se concentrations in the broccoli florets and carrots ranged from 6.99 to 7.83 mg kg-1 and 3.15 to 6.25 mg kg-1 in planting one and two, respectively. In broccoli and carrot plant tissues, SeMet (selenomethionine was the predominant selenoamino acid identified in Se aqueous extracts. In postharvest soils from planting one, phospholipid analyses (PLFA showed that amending the soil with S. pinnata exerted no effect on the microbial biomass, AMF (arbuscular mycorrhizal fungi, actinomycetes and Gram-positive and bacterial PLFA at both 0-5 and 0-30 cm, respectively, three years later. Successfully producing Se-enriched broccoli and carrots three and four years later after amending soil with Se-enriched S. pinnata clearly demonstrates its potential source as an organic Se enriched fertilizer for Se-deficient regions.

  14. PySE: Software for extracting sources from radio images

    Science.gov (United States)

    Carbone, D.; Garsden, H.; Spreeuw, H.; Swinbank, J. D.; van der Horst, A. J.; Rowlinson, A.; Broderick, J. W.; Rol, E.; Law, C.; Molenaar, G.; Wijers, R. A. M. J.

    2018-04-01

    PySE is a Python software package for finding and measuring sources in radio telescope images. The software was designed to detect sources in the LOFAR telescope images, but can be used with images from other radio telescopes as well. We introduce the LOFAR Telescope, the context within which PySE was developed, the design of PySE, and describe how it is used. Detailed experiments on the validation and testing of PySE are then presented, along with results of performance testing. We discuss some of the current issues with the algorithms implemented in PySE and their interaction with LOFAR images, concluding with the current status of PySE and its future development.

  15. Synthesis and biodistribution of 75Se-dinonyl-diselenide

    International Nuclear Information System (INIS)

    Liu, Y.F.; Qian, H.Q.; Zhang, Q.X.; Wang, X.Y.; Sun, J.G.; Li, B.Z.; Zhang, W.J.

    1985-01-01

    Selenium-75-labelled dinonyl-diselenide, C 9 H 19 75 SeSeC 9 H 19 , was synthesized and identified. It was injected into white rats in order to observe the selenium distribution in the tissues using inorganic 75 SeO 2 as the control agent. The sequence order of the 75 Se-dinonyl-diselenide uptake by tissues was: pancreas, muscles, stomach, liver, kidneys, spleen, blood, lungs, heart, brain, eyes. A very high accumulation of 75 Se-dinonyl-diselenide in the pancreas was observed, similar to that of the pancreatic imaging agent 75 Se-methionine. Furthermore, the enzymatic activity of glutathione peroxidase in the case of organic diselenide injection was higher than that measured for selenite. Selenium of dinonyl-diselenide was more effective and retainable in the process of converting itself to selenium-containing enzyme via the metabolic reactions. It may be advisable to replace inorganic sodium selenite by organic selenium compounds. Sodium selenite has been widely used in the prevention of the Keshan disease in China. (author)

  16. PbSe nanocubes obtained by high-energy milling

    Energy Technology Data Exchange (ETDEWEB)

    Rojas-Chavez, H., E-mail: hrojasc@ipn.mx [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada - IPN (Mexico); Reyes-Carmona, F. [Facultad de Quimica - UNAM (Mexico); Achimovicova, M. [Slovak Academy of Sciences, Institute of Geotechnics (Slovakia); Daneu, N. [Jozef Stefan Institute, Department for Nanostructured Materials (Slovenia); Jaramillo-Vigueras, D. [Centro de Investigacion e Innovacion Tecnologica - IPN (Mexico)

    2012-06-15

    In this study, PbSe nanocubes were obtained by high-energy milling, and their optical properties were investigated by measuring the UV-VIS-IR spectra in the range of 200-2,000 nm. The optical absorption of all samples showed a strong UV emission band at 1.45 eV. Previously, to obtain only PbSe nanocubes, an intermediate phase was identified, PbSeO{sub 3}. Although both PbSeO{sub 3} and PbSe were traced through this study, a major effort is devoted to characterize the latter. To trace how chemical transitions evolve from precursors to PbSe, X-ray diffraction and Rietveld refinement were carried out. Therefore, the following parameters were evaluated as a function of milling time: phase percentages, area-to-volume ratio, average crystallite dimensions, specific surface area, and morphology changes. To corroborate previous findings, nitrogen adsorption and transmission electron microscopy techniques were used. All the set experimental results unambiguously confirm that crystallites show a cubic morphology, with its average crystallite size distribution being around 24 nm.

  17. Selective Cytotoxic Activity of Se-Methyl-Seleno-L-Cysteine- and Se-Polysaccharide-Containing Extracts from Shiitake Medicinal Mushroom, Lentinus edodes (Agaricomycetes).

    Science.gov (United States)

    Klimaszewska, Marzenna; Górska, Sandra; Dawidowski, Maciej; Podsadni, Piotr; Szczepanska, Agnieszka; Orzechowska, Emilia; Kurpios-Piec, Dagmara; Grosicka-Maciag, Emilia; Rahden-Staroń, Iwonna; Turło, Jadwiga

    2017-01-01

    Numerous formulations derived from the shiitake medicinal mushroom, Lentinus edodes, demonstrate anticancer activities. We hypothesized that isolates from selenium (Se)-enriched mycelia of L. edodes would possess stronger cancer-preventive properties than current preparations. The aim of this study was to investigate whether the presence of Se-methyl-seleno-L-cysteine in mycelial extracts of L. edodes affects their cytotoxic activity (makes them stronger) or whether they are as effective as Se-containing polysaccharides. Extracts were prepared from Se-containing mycelia under various conditions and assayed for cytotoxic activity in cancer (PC3 and HeLa) and normal (HMEC-1) cell lines. The chemical composition of the extracts was examined; specifically, the amounts of potentially cytotoxic Se compounds (methylselenocysteine, selenomethionine, and Se-containing polysaccharides) were measured. The relationship between extract composition and biological activity was characterized. Mycelial cultures were cultivated in a 10-L bioreactor in medium enriched with sodium selenite. Mycelial extracts were prepared either at 100°C or at 4°C in acidic solution. Total Se content was determined using the atomic absorption spectrometry method, and methylselenocysteine and selenomethionine contents were measured using reverse-phase high-performance liquid chromatography. Protein, carbohydrate, and polyphenolic contents were determined with spectrophotometric methods, and Se-containing polysaccharides were measured with the use of precipitation. Anticancer activity of mycelial extracts was examined using the MTT cell viability assay. Extracts containing Se-methyl-seleno-L-cysteine or Se-polysaccharides prepared at 4°C and 100°C, respectively, display moderate, time-dependent, specific cytotoxic activity in HeLa and PC3 cell lines. The effect in HeLa cells is more pronounced in the extract prepared at 4°C than at 100°C. The effect is almost equal for the PC3 cell line. However

  18. Thermoelectric Performance of Na-Doped GeSe

    NARCIS (Netherlands)

    Shaabani, Laaya; Aminorroaya-Yamini, Sima; Byrnes, Jacob; Akbar Nezhad, Ali; Blake, Graeme R

    2017-01-01

    Recently, hole-doped GeSe materials have been predicted to exhibit extraordinary thermoelectric performance owing largely to extremely low thermal conductivity. However, experimental research on the thermoelectric properties of GeSe has received less attention. Here, we have synthesized

  19. Crystallization kinetics, glass transition kinetics, and thermal stability of Se70-xGa30Inx (x=5, 10, 15, and 20) semiconducting glasses

    International Nuclear Information System (INIS)

    Imran, Mousa M.A.

    2011-01-01

    Crystallization and glass transition kinetics of Se 70-x Ga 30 In x (x=5, 10, 15, and 20) semiconducting chalcogenide glasses were studied under non-isothermal condition using a Differential Scanning Calorimeter (DSC). DSC thermograms of the samples were recorded at four different heating rates 5, 10, 15, and 20 K/min. The variation of the glass transition temperature (T g ) with the heating rate (β) was used to calculate the glass transition activation energy (E t ) using two different models. Meanwhile, the variation of the peak temperature of crystallization (T p ) with β was utilized to deduce the crystallization activation energy (E c ) using Kissinger, Augis-Bennet, and Takhor models. Results reveal that E t decreases with increasing In content, while both T g and E c exhibit the opposite behavior, and the crystal growth occurs in one dimension. The variation of these thermal parameters with the average coordination number was also discussed, and the results were interpreted in terms of the type of bonding that In makes with Se. Assessment of thermal stability and glass forming ability (GFA) was carried out on the basis of some quantitative criteria and the results indicate that thermal stability is enhanced while the crystallization rate is reduced with the addition of In to Se-Ga glass. -- Research highlights: → Addition of In to Se-Ga glass decreases the glass transition activation energy. → The crystallization rate in Se-Ga-In glass is reduced as In content increases. → The crystal growth in Se-Ga-In glass occurs in one dimension. → Thermal properties of Se-Ga-In glass indicate a shift in Phillips-Thorpe threshold.

  20. Formation and reconstruction of Se nanoislands at the surface of thin epitaxial ZnSe layers grown on GaAs substrates

    Energy Technology Data Exchange (ETDEWEB)

    Kozlovskiy, V. I.; Krivobok, V. S., E-mail: krivobok@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Kuznetsov, P. I.; Nikolaev, S. N.; Onistchenko, E. E.; Pruchkina, A. A.; Temiryazev, A. G. [Russian Academy of Sciences, Kotel’nikov Institute of Radio-Engineering and Electronics (Russian Federation)

    2016-05-15

    Strained epitaxial ZnSe layers are grown on GaAs substrates by the method of vapor-phase epitaxy from metal-organic compounds. It is found that Se nanoislands with a density of 10{sup 8} to 10{sup 9} cm{sup –2} are formed at the surface of such layers. It is established that an increase in the size of Se islands and a decrease in their density take place after completion of growth. Annealing in a H{sub 2} atmosphere at a temperature higher than 260°C leads to the disappearance of Se islands and to a decrease in the surface roughness. It is shown that annealing does not lead to deterioration of the structural perfection of the epitaxial ZnSe films; rather, annealing gives rise to a decrease in the intensity of impurity–defect luminescence and to an increase in the intensity of intrinsic radiation near the bottom of the exciton band.

  1. [Influence of thermalcycling on bonding durability of self-etch adhesives with dentin].

    Science.gov (United States)

    Tian, Fu-cong; Wang, Xiao-yan; Gao, Xue-jun

    2014-04-18

    To investigate influence of thermalcycling on the bonding durability of two one-step products [Adper Prompt (AP) and G-bond (GB)] and one two-step self-etching adhesive [Clearfil SE bond (SE)] with dentin in vitro. Forty-two extracted human molars were selected. The superficial dentin was exposed by grinding off the enamel. The teeth were randomly distributed into six groups with varied bonding protocols. The adhesives were applied to the dentin surface. Composite crowns were built up, then the samples were cut longitudinally into sticks with 1.0 mm×1.0 mm bonding area [for microtensile bond strength (MTBS) testing] or 1.0 mm thick slabs (for nanoleakage observation). Bonding performance was evaluated with or without thermalcyling. For the MTBS testing, the strength values were statistically analysed using One-Way ANOVA. Four slabs in each group were observed for nanoleakage by SEM with a backscattered electron detector. Thermalcycling procedures affected MTBS. In the two one-step groups, the MTBS decreased significantly (Padhesives showed lower MTBS than two-step bonding system after aging.For AP and GB, continuous nanoleakage appearance was notable and more obvious than for SE. Thermalcycling can affect the bonding performance of self-etch adhesives including decrease of bond strength and nanoleakage pattern. one-step self-etch adhesives showed more obvious change compared with their two-step counterparts.

  2. Chemical synthesis of Cu2Se nanoparticles at room temperature

    International Nuclear Information System (INIS)

    Rong, Fengxia; Bai, Yan; Chen, Tianfeng; Zheng, Wenjie

    2012-01-01

    Graphical abstract: The Cu 2 Se nanoparticles were synthesized by a simple and rapid method at room temperature. The TEM and SEM images show that the Cu 2 Se nanoparticles were spherical. Highlights: ► Cu 2 Se nanoparticles were synthesized by the reaction of nanoSe 0 sol with Cu + ions. ► The Cu 2 Se nanoparticles were spherical with cubic structure and well crystallized. ► Optical and electrochemical properties of Cu 2 Se nanoparticles were observed. ► The formation mechanism of Cu 2 Se nanoparticles was proposed. -- Abstract: A simple and rapid method has been developed to synthesize cuprous selenide (Cu 2 Se) nanoparticles by the reaction of selenium nanoparticles sol with copper sulfate solution containing ascorbic acid at room temperature. Cu 2 Se nanoparticles were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and energy dispersive X-ray analysis (EDX). The results indicated that Cu 2 Se nanoparticles were cubic crystal structure and spherical with the diameter about 75 nm. The ultraviolet–visible absorption spectrum (UV–vis) and cyclic voltammetry of Cu 2 Se nanoparticles were also investigated. The optical band gap energy of Cu 2 Se nanoparticles was 1.94 eV. On the basis of a series of experiments and characterizations, the formation mechanism of Cu 2 Se nanoparticles was discussed.

  3. Electrochemiluminescent detection of Pb{sup 2+} by graphene/gold nanoparticles and CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Liping, E-mail: lipinglu@bjut.edu.cn; Guo, Linqing; Li, Jiao; Kang, Tianfang; Cheng, Shuiyuan

    2016-12-01

    Highlights: • An ECL sensor was fabricated based on the distance dependent between CdSe QDs and gold nanoparticles. • The ssDNA strands rich in G bases adopt the G4 conformation when Pb{sup 2+} is present in detection system. • AuNPs/RGO composite improved the performance of electron transfer of sensor. • The ECL sensor was used to detect Pb{sup 2+} concentration in an actual water sample with high sensitivity and selectivity. - Abstract: A highly sensitive electrochemiluminescent detection method for lead ions (Pb(II)) was fabricated based on the distance-dependent quenching of the electrochemiluminescence from CdSe quantum dots by nanocomposites of graphene and gold nanoparticles. Graphene/gold nanoparticles were electrochemically deposited onto a glassy carbon electrode through the constant potential method. Thiol-labeled DNA was then assembled on the surface of the electrode via gold−sulfur bonding, following which the amino-labeled terminal of the DNA was linked to carboxylated CdSe quantum dots by the formation of amide bonds. The 27-base aptamer was designed with two different domains: the immobilization and detection sequences. The immobilization sequence was paired with 12 complementary bases and immobilized on the gold electrode; the single-stranded detection sequence, rich in G bases, formed a G-quadruplex (G4) structure in the presence of Pb{sup 2+}. The formation of G4 shortens the distance between the CdSe quantum dots and the Au electrode, which decreases the electrochemiluminescent intensity in a linear fashion, proportional to the concentration of Pb(II). The linear range of the sensor was 10{sup −10} to 10{sup −8} mol/L (R = 0.9819) with a detection limit of 10{sup −10} mol/L. This sensor detected Pb(II) in real water samples with satisfactory results.

  4. Electronic structure and superconductivity of FeSe-related superconductors.

    Science.gov (United States)

    Liu, Xu; Zhao, Lin; He, Shaolong; He, Junfeng; Liu, Defa; Mou, Daixiang; Shen, Bing; Hu, Yong; Huang, Jianwei; Zhou, X J

    2015-05-13

    FeSe superconductors and their related systems have attracted much attention in the study of iron-based superconductors owing to their simple crystal structure and peculiar electronic and physical properties. The bulk FeSe superconductor has a superconducting transition temperature (Tc) of ~8 K and it can be dramatically enhanced to 37 K at high pressure. On the other hand, its cousin system, FeTe, possesses a unique antiferromagnetic ground state but is non-superconducting. Substitution of Se with Te in the FeSe superconductor results in an enhancement of Tc up to 14.5 K and superconductivity can persist over a large composition range in the Fe(Se,Te) system. Intercalation of the FeSe superconductor leads to the discovery of the AxFe2-ySe2 (A = K, Cs and Tl) system that exhibits a Tc higher than 30 K and a unique electronic structure of the superconducting phase. A recent report of possible high temperature superconductivity in single-layer FeSe/SrTiO3 films with a Tc above 65 K has generated much excitement in the community. This pioneering work opens a door for interface superconductivity to explore for high Tc superconductors. The distinct electronic structure and superconducting gap, layer-dependent behavior and insulator-superconductor transition of the FeSe/SrTiO3 films provide critical information in understanding the superconductivity mechanism of iron-based superconductors. In this paper, we present a brief review of the investigation of the electronic structure and superconductivity of the FeSe superconductor and related systems, with a particular focus on the FeSe films.

  5. Exploration work function and optical properties of monolayer SnSe allotropes

    Science.gov (United States)

    Cui, Zhen; Wang, Xia; Ding, Yingchun; Li, Meiqin

    2018-02-01

    The work function and optical properties are investigated with density functional theory for three monolayer SnSe allotropes. The calculated results indicate that the α-SnSe, δ-SnSe, ε-SnSe are semiconductor with the band gaps of 0.90, 1.25, and 1.50 eV, respectively. Meanwhile, the work function of δ-SnSe is lower than α-SnSe and ε-SnSe, which indicates that the δ-SnSe can be prepared of photoemission and field emission nanodevices. More importantly, the α-SnSe, δ-SnSe, ε-SnSe with the large static dielectric constants are 4.22, 5.48, and 3.61, which demonstrate that the three monolayer SnSe allotropes can be fabricated the capacitor. In addition, the static refractive index of δ-SnSe is larger than α-SnSe and ε-SnSe. The different optical properties with three monolayer SnSe allotropes reveal that the allotropes can regulate the properties of the materials. Moreover, our researched results show that the three monolayer SnSe allotropes are sufficient for fabrication of optoelectronic nanodevices.

  6. Shell Thickness Dependence of Interparticle Energy Transfer in Core-Shell ZnSe/ZnSe Quantum Dots Doping with Europium

    Science.gov (United States)

    Liu, Ni; Li, Shuxin; Wang, Caifeng; Li, Jie

    2018-04-01

    Low-toxic core-shell ZnSe:Eu/ZnS quantum dots (QDs) were prepared through two steps in water solution: nucleation doping and epitaxial shell grown. The structural and morphological characteristics of ZnSe/ZnS:Eu QDs with different shell thickness were explored by transmission electron microscopy (TEM) and X-ray diffraction (XRD) results. The characteristic photoluminescence (PL) intensity of Eu ions was enhanced whereas that of band-edge luminescence and defect-related luminescence of ZnSe QDs was decreased with increasing shell thickness. The transformation of PL intensity revealed an efficient energy transfer process between ZnSe and Eu. The PL intensity ratio of Eu ions ( I 613) to ZnSe QDs ( I B ) under different shell thickness was systemically analyzed by PL spectra and time-resolved PL spectra. The obtained results were in agreement with the theory analysis results by the kinetic theory of energy transfer, revealing that energy was transmitted in the form of dipole-electric dipole interaction. This particular method of adjusting luminous via changing the shell thickness can provide valuable insights towards the fundamental understanding and application of QDs in the field of optoelectronics.

  7. Novel mechanical behaviors of wurtzite CdSe nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Bing [Shanghai Normal University, Department of Physics (China); Chen, Li [MCPHS University, School of Arts and Sciences (United States); Xie, Yiqun; Feng, Jie; Ye, Xiang, E-mail: yexiang@shnu.edu.cn [Shanghai Normal University, Department of Physics (China)

    2015-09-15

    As an important semiconducting nanomaterial, CdSe nanowires have attracted much attention. Although many studies have been conducted in the electronic and optical properties of CdSe NWs, the mechanical properties of Wurtzite (WZ) CdSe nanowires remain unclear. Using molecular dynamics simulations, we have studied the tensile mechanical properties and behaviors of [0001]-oriented Wurtzite CdSe nanowires. By monitoring the stretching processes of CdSe nanowires, three distinct structures are found: the WZ wire, a body-centered tetragonal structure with four-atom rings (denoted as BCT-4), and a structure that consists of ten-atom rings with two four-atom rings (denoted as TAR-4) which is observed for the first time. Not only the elastic tensile characteristics are highly reversible under unloading, but a reverse transition between TAR-4 and BCT-4 is also observed. The stretching processes also have a strong dependence on temperature. A tubular structure similar to carbon nanotubes is observed at 150 K, a single-atom chain is formed at 300, 350 and 450 K, and a double-atom chain is found at 600 K. Our findings on tensile mechanical properties of WZ CdSe nanowires does not only provide inspiration to future study on other properties of CdSe nanomaterials but also help design and build efficient nanoscale devices.

  8. Los jóvenes se incomunican

    Directory of Open Access Journals (Sweden)

    Margarita Ferro

    2015-01-01

    Full Text Available Hace años los jóvenes se comunicaban y relacionaban con sus amigos del barrio o de la escuela por lo que desde pequeños desarrollaban una comunicación interpersonal fluida. Hoy los video-juegos han sustituido la amistad y se han transformado en elementos de la comunicación. La autora analiza el mundo del nintendo y su influencia en las personas

  9. SeRLoc: Robust Localization for Wireless Sensor Networks

    National Research Council Canada - National Science Library

    Lazos, Loukas; Poovendran, Radha

    2005-01-01

    .... We show that SeRLoc is robust against known attacks on WSNs such as the wormhole attack, the Sybil attack, and compromise of network entities and analytically compute the probability of success for each attack. We also compare the performance of SeRLoc with state-of-the-art range-independent localization schemes and show that SeRLoc has better performance.

  10. Nematicity, magnetism and superconductivity in FeSe.

    Science.gov (United States)

    Böhmer, Anna E; Kreisel, Andreas

    2018-01-17

    Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, T c , ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review, we present an overview of nematicity, magnetism and superconductivity, and discuss the interplay of these phases in FeSe. We focus on bulk FeSe and the effects of physical pressure and chemical substitutions as tuning parameters. The experimental results are discussed in the context of the well-studied iron-pnictide superconductors and interpretations from theoretical approaches are presented.

  11. Lateral structure of (TiSe2)n(NbSe2)m superlattices

    International Nuclear Information System (INIS)

    Noh, M.; Shin, H.; Jeong, K.; Spear, J.; Johnson, D.C.; Kevan, S.D.; Warwick, T.

    1997-01-01

    The structures of a series of (TiSe 2 ) n (NbSe 2 ) m superlattices grown through controlled crystallization of designed multilayer reactants have been studied. X-ray diffraction of the data of the superlattices after crystallization show considerable preferred orientation, with the basal plane of the dichalcogenide structure parallel to the substrate to within 0.1 degree. Lattice refinement using the observed (00scr(l)) diffraction maxima yields lattice parameters along the c axis that are consistent with those expected based on the target superlattices and lattice parameters of the binary constituents. These (00scr(l)) diffraction data, however, contain no information about the crystalline structure in the ab plane of the superlattice associated with the preferred c-axis orientation. Off-specular x-ray diffraction (XRD), scanning electron microscopy, and scanning transmission x-ray microscopy (STXM) were used to explore the structure and homogeneity of the superlattices in the ab plane. XRD results rule out preferred long-range orientational order of the ab plane. Between grains, both the backscattered electron images and STXM images show grain domain structure in the ab plane with a characteristic grain domain size of approximately 50 μm. X-ray absorption microscopy in the STXM mode obtained at the Ti L 2,3 edge shows that the titanium in the superlattices is present as both octahedral Ti consistent with the TiSe 2 structure and metallic Ti. A comparison of the data obtained from these techniques highlights chemical information, which can be deduced on a submicrometer range from the space resolved spectra obtained using STXM. copyright 1997 American Institute of Physics

  12. Unusually large chemical potential shift in a degenerate semiconductor: Angle-resolved photoemission study of SnSe and Na-doped SnSe

    Science.gov (United States)

    Maeda, M.; Yamamoto, K.; Mizokawa, T.; Saini, N. L.; Arita, M.; Namatame, H.; Taniguchi, M.; Tan, G.; Zhao, L. D.; Kanatzidis, M. G.

    2018-03-01

    We have studied the electronic structure of SnSe and Na-doped SnSe by means of angle-resolved photoemission spectroscopy. The valence-band top reaches the Fermi level by the Na doping, indicating that Na-doped SnSe can be viewed as a degenerate semiconductor. However, in the Na-doped system, the chemical potential shift with temperature is unexpectedly large and is apparently inconsistent with the degenerate semiconductor picture. The large chemical potential shift and anomalous spectral shape are key ingredients for an understanding of the novel metallic state with the large thermoelectric performance in Na-doped SnSe.

  13. NaviSE: superenhancer navigator integrating epigenomics signal algebra.

    Science.gov (United States)

    Ascensión, Alex M; Arrospide-Elgarresta, Mikel; Izeta, Ander; Araúzo-Bravo, Marcos J

    2017-06-06

    Superenhancers are crucial structural genomic elements determining cell fate, and they are also involved in the determination of several diseases, such as cancer or neurodegeneration. Although there are pipelines which use independent pieces of software to predict the presence of superenhancers from genome-wide chromatin marks or DNA-interaction protein binding sites, there is not yet an integrated software tool that processes automatically algebra combinations of raw data sequencing into a comprehensive final annotated report of predicted superenhancers. We have developed NaviSE, a user-friendly streamlined tool which performs a fully-automated parallel processing of genome-wide epigenomics data from sequencing files into a final report, built with a comprehensive set of annotated files that are navigated through a graphic user interface dynamically generated by NaviSE. NaviSE also implements an 'epigenomics signal algebra' that allows the combination of multiple activation and repression epigenomics signals. NaviSE provides an interactive chromosomal landscaping of the locations of superenhancers, which can be navigated to obtain annotated information about superenhancer signal profile, associated genes, gene ontology enrichment analysis, motifs of transcription factor binding sites enriched in superenhancers, graphs of the metrics evaluating the superenhancers quality, protein-protein interaction networks and enriched metabolic pathways among other features. We have parallelised the most time-consuming tasks achieving a reduction up to 30% for a 15 CPUs machine. We have optimized the default parameters of NaviSE to facilitate its use. NaviSE allows different entry levels of data processing, from sra-fastq files to bed files; and unifies the processing of multiple replicates. NaviSE outperforms the more time-consuming processes required in a non-integrated pipeline. Alongside its high performance, NaviSE is able to provide biological insights, predicting cell

  14. Layer Structured Bismuth Selenides of Bi2Se3 and Bi3Se4 for High Energy and Flexible All-Solid-State Micro-Supercapacitors.

    Science.gov (United States)

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2017-12-20

    Bismuth selenides (Bi2Se3 and Bi3Se4), both of which have the layered rhombohedral crystal structure, and found to be useful as electrode materials for supercapacitor application in this work. Bi2Se3 nanoplates as electrode material exhibit much better performance than that of Bi3Se4 nanoparticles in liquid electrolyte system (6 M KOH), which delivers a higher specific capacitance (272.9 F/g) than that of Bi3Se4 (193.6 F/g) at 5 mV/s. This result would may be attributed to that Bi2Se3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to its planar quintuple stacked layers (septuple layers for Bi3Se4). For the demand of electronic skin, we used a novel flexible annular interdigital structure electrode applying for all-solid-state micro-supercapacitors (AMSCs). Bi2Se3 AMSCs device delivers a much more excellent supercapacitor performance, exhibits a large stack capacitance 89.5 F/cm3 (Bi3Se4: 79.1 F/cm3) at 20 mV/s, a high energy density 17.9 mWh/cm3 and high power density 18.9 W/cm3. The bismuth selenides also exhibit good cycle stability, retention 95.5% (90.3%) after 1000 c for Bi2Se3 (Bi3Se4). Obviously, Bi2Se3 nanoplates can be promising electrode materials for flexible annular interdigital all-solid-sate supercapacitor. © 2017 IOP Publishing Ltd.

  15. Absorbed dose to man from the Se-75 labeled conjugated bile salt SeHCAT: concise communication

    International Nuclear Information System (INIS)

    Soundy, R.G.; Simpson, J.D.; Ross, H.M.; Merrick, M.V.

    1982-01-01

    The absorbed radiation dose that would result from the oral or intravenous administration of SeHCAT (23-[ 75 Se]selena-25-homotaurocholate) has been calculated using the MIRD tables and formulas and data from measurements of whole-body distribution and from long-term whole-body counting in rats, mice, and man. When SeHCAT is administered to normal subjects, the gallbladder is the critical organ, receiving 12 mrad (oral dose) or 22 mrad (i.v.) per microcurie. The whole-body dose is 1 mrad/μCi, whatever the route of administration. In severe hepatic failure the liver might receive 200 mrad/μCi. The activity likely to be used in routine clinical practice is 10 μCi. Where a whole-body counter is used, an activity of 1 μCi has proved adequate. Even at an administered activity of 25 μCi, the absorbed dose is small compared with established techniques of investigating the gastrointestinal tract

  16. Absorbed dose to man from the Se-75 labeled conjugated bile salt SeHCAT: concise communication

    International Nuclear Information System (INIS)

    Soundy, R.G.; Simpson, J.D.; Ross, H.M.; Merrick, M.V.

    1982-01-01

    The absorbed radiation dose that would result from the oral or intravenous administration of SeHCAT (23-[75Se]selena-25-homotaurocholate) has been calculated using the MIRD tables and formulas and data from measurements of whole-body distribution and from long-term whole-body counting in rats, mice, and man. When SeHCAT is administered to normal subjects, the gallbladder is the critical organ, receiving 12 mrad (oral dose) or 22 mrad (i.v.) per microcurie. The whole-body dose is 1 mrad/microCi, whatever the route of administration. In severe hepatic failure the liver might receive 200 mrad/microCi. The activity likely to be used in routine clinical practice is 10 microCi. Where a whole-body counter is used, an activity of 1 microCi has proved adequate. Even at an administered activity of 25 microCi, the absorbed dose is small compared with established techniques of investigating the gastrointestinal tract

  17. Structural manifestations of aging in Se-rich glasses

    Science.gov (United States)

    Dash, S.; Ravindren, S.; Chen, P.; Boolchand, P.

    2015-03-01

    We examine weakly cross-linked GexSe100-x (0%modulated DSC and Raman scattering experiments. Homogeneity of melts was carefully verified using FT-Raman line profiling. Upon aging at RT for 4 months, we find the width of the glass transition W(x) steadily decreasing from 10C at 7% Ge to 2C for pure Se. The 5-fold reduction of W(x) with a decrease of Ge content is accompanied by a 2-fold increase in the non-reversing enthalpy. Rejuvenation of the aged glasses changes W(x) from 15C at 7% Ge to 7C for pure Se. Tg is found to decrease upon rejuvenation with the difference (Tg(aged)-Tg(rejuv)) showing a maximum near 3% Ge and vanishing for pure Se and 6% of Ge, which are topological thresholds. These results in Se-rich glasses are consistent with aging induced decoupling of Se8 crowns and growth of extended range structural correlations between polymeric Sen chains due to lone pair interactions. At higher x, near 8-10% of Ge, eutectic effects are manifested. Work supported by NSF Grant DMR 08-53957.

  18. Fabrication and micro-photoluminescence property of CdSe/CdS core/shell nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Guozhang; Gou, Guangyang; Wu, Zeming; Chen, Yu; Li, Hongjian [Central South University, Hunan Key Laboratory for Super-microstructure and Ultrafast Process, School of Physics and Electronics, Changsha, Hunan (China); Wan, Qiang [Hunan University, School of Physics and Electronics, Changsha (China); Zou, Bingsuo [Beijing Institute of Technology, Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems, School of Physics, Beijing (China)

    2015-04-01

    Hetero-epitaxial CdSe/CdS core/shell nanowires (NWs) were prepared by a source-controllable chemical vapor deposition method. A two-stage growth mechanism was proposed to the growth process of the core/shell NWs. Micro-photoluminescence (μ-PL) property of individual NW was studied by a confocal microscopy system. The pure CdSe NW emits a red light with peak at 712.3 nm, which is inconsistent with the CdSe band-edge emission. The CdSe/CdS core/shell NW emits two apparent peaks, one is an intensive red emission peak centered at 715.2 nm and the other is a weak green emission peak located at 516.2 nm. The room temperature μ-PL spectrum shows that the PL intensity of CdSe NW was evidently promoted by coating the CdS shell, and this is because CdS improves the surface state optimizing the energy band structure of CdSe NW. The as-synthesized CdSe/CdS core/shell NW has more efficient PL quantum yields than pure CdSe NW and may find potential applications in nanoscale photonic devices. (orig.)

  19. Fabrication and micro-photoluminescence property of CdSe/CdS core/shell nanowires

    International Nuclear Information System (INIS)

    Dai, Guozhang; Gou, Guangyang; Wu, Zeming; Chen, Yu; Li, Hongjian; Wan, Qiang; Zou, Bingsuo

    2015-01-01

    Hetero-epitaxial CdSe/CdS core/shell nanowires (NWs) were prepared by a source-controllable chemical vapor deposition method. A two-stage growth mechanism was proposed to the growth process of the core/shell NWs. Micro-photoluminescence (μ-PL) property of individual NW was studied by a confocal microscopy system. The pure CdSe NW emits a red light with peak at 712.3 nm, which is inconsistent with the CdSe band-edge emission. The CdSe/CdS core/shell NW emits two apparent peaks, one is an intensive red emission peak centered at 715.2 nm and the other is a weak green emission peak located at 516.2 nm. The room temperature μ-PL spectrum shows that the PL intensity of CdSe NW was evidently promoted by coating the CdS shell, and this is because CdS improves the surface state optimizing the energy band structure of CdSe NW. The as-synthesized CdSe/CdS core/shell NW has more efficient PL quantum yields than pure CdSe NW and may find potential applications in nanoscale photonic devices. (orig.)

  20. Social Set Visualizer (SoSeVi) II

    DEFF Research Database (Denmark)

    Flesch, Benjamin; Vatrapu, Ravi

    2016-01-01

    This paper reports the second iteration of the Social Set Visualizer (SoSeVi), a set theoretical visual analytics dashboard of big social data. In order to further demonstrate its usefulness in large-scale visual analytics tasks of individual and collective behavior of actors in social networks......, the current iteration of the Social Set Visualizer (SoSeVi) in version II builds on recent advancements in visualizing set intersections. The development of the SoSeVi dashboard involved cutting-edge open source visual analytics libraries (D3.js) and creation of new visualizations such as of actor mobility...

  1. Reversible ultrafast melting in bulk CdSe

    International Nuclear Information System (INIS)

    Wu, Wenzhi; He, Feng; Wang, Yaguo

    2016-01-01

    In this work, transient reflectivity changes in bulk CdSe have been measured with two-color femtosecond pump-probe spectroscopy under a wide range of pump fluences. Three regions of reflectivity change with pump fluences have been consistently revealed for excited carrier density, coherent phonon amplitude, and lattice temperature. For laser fluences from 13 to 19.3 mJ/cm 2 , ultrafast melting happens in first several picoseconds. This melting process is purely thermal and reversible. A complete phase transformation in bulk CdSe may be reached when the absorbed laser energy is localized long enough, as observed in nanocrystalline CdSe

  2. Extraction, characterization and antioxidant activities of Se-enriched tea polysaccharides.

    Science.gov (United States)

    Wang, Yuanfeng; Li, Yongfu; Liu, Yangyang; Chen, Xueqing; Wei, Xinlin

    2015-01-01

    Se-polysaccharides from Se-enriched tea leaves were purified by DEAE-sepharose fast flow gel column (2.5×60cm) and three polysaccharide fractions (Se-TPS1, Se-TPS2, and Se-TPS3) were isolated and purified with yields of 6.5, 37.14, and 8.57%, respectively. The average sizes of Se-TPS1 and Se-TPS2 were determined by HPGPC system, with molecular weights of 1.1×10(5) and 2.4×10(5)Da, respectively. Se-TPS3 was a polysaccharide polymer with two peaks with molecular weights of 9.2×10(5) and 2.5×10(5)Da. Monosaccharide components analysis by ion chromatography revealed Se-polysaccharides were acidic polysaccharoses and different from each other in monosaccharide kinds and molar ratio. Elements of Se, C, H, N, S, and 14 kinds of mineral elements were analyzed by AFS, EA, and ICP-AES, respectively. Spectral analysis (IR and UV) indicated Se-polysaccharides were typical glycoproteins. Morphological analyses of the samples were determined by SEM and AFM. In addition, the DPPH and superoxide radicals scavenging activities were also discussed to assess antioxidant activities of the samples, and Se-polysaccharides showed higher antioxidant activities compared to the ordinary polysaccharides. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Effect of selenium deficiency on 75Se and 45Ca metabolism in chicks

    International Nuclear Information System (INIS)

    Edwardly, J.S.

    1981-01-01

    Two hundred, 1 day old broiler chicks were used to study the effect of selenium deficiency on 75 Se and 45 Ca metabolism in chicks. The chicks were randomly divided into five groups. One group was fed a purified basal diet low in selenium ( 75 Se or 45 Ca. Levels of radioisotopes in blood and tissue, as well as total body excretion of radioactivity were determined. Whole body retention of 75 Se was significantly higher (p 45 Ca was significantly higher in selenium deficient chicks than in supplemented animals. Total Ca concentration in muscle was also higher in this group. Studies of red cell uptake of 75 Se demonstrated a clear difference between Se repleted and selenium deficient groups. (author)

  4. Atomic Defects and Doping of Monolayer NbSe2.

    Science.gov (United States)

    Nguyen, Lan; Komsa, Hannu-Pekka; Khestanova, Ekaterina; Kashtiban, Reza J; Peters, Jonathan J P; Lawlor, Sean; Sanchez, Ana M; Sloan, Jeremy; Gorbachev, Roman V; Grigorieva, Irina V; Krasheninnikov, Arkady V; Haigh, Sarah J

    2017-03-28

    We have investigated the structure of atomic defects within monolayer NbSe 2 encapsulated in graphene by combining atomic resolution transmission electron microscope imaging, density functional theory (DFT) calculations, and strain mapping using geometric phase analysis. We demonstrate the presence of stable Nb and Se monovacancies in monolayer material and reveal that Se monovacancies are the most frequently observed defects, consistent with DFT calculations of their formation energy. We reveal that adventitious impurities of C, N, and O can substitute into the NbSe 2 lattice stabilizing Se divacancies. We further observe evidence of Pt substitution into both Se and Nb vacancy sites. This knowledge of the character and relative frequency of different atomic defects provides the potential to better understand and control the unusual electronic and magnetic properties of this exciting two-dimensional material.

  5. Tests for the absorption of /sup 75/Se-labelled homocholic acid conjugated with taurine (/sup 75/Se-HCAT)

    Energy Technology Data Exchange (ETDEWEB)

    Schroth, H.J.; Berberich, R.; Mueller, K.P.; Feifel, G.; Ecker, K.W.

    1985-05-01

    The absorption of selenomethionine Se 75-labelled homocholic acid conjugated with taurine (/sup 75/-SE-HCAT) was tested in 46 patients. Retention measurements using (1) an uncollimated gamma camera and (2) a measuring arrangement similar to a human-body counter were compared in order to obtain a quantitative assessment of the absorption capacity of the terminal ileum for bile acids. The retention curve obtained after the oral administration of the /sup 75/Se-labelled bile-acid analogue showed a monoexponential decline; in the case of unimpaired absorption, the half-life was greater than 2.5 days. When more than 30 cm of the ileum had been eliminated by inflammatory infection or resection, the measured half-life was below 0.5 days due to malabsorption. We also performed a quantitative determination of the hepatic secretion of /sup 75/-Se-HCAT into the gall bladder. If more than 80% of the activity administered is found in the gall bladder, disturbed absorption of bile acids in the terminal ileum can be excluded. Values smaller than 80%, however, do not provide proof of disturbed absorption.

  6. Symmetry effects in neutron scattering from isotopically enriched Se isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Lachkar, J.; Haouat, G.; McEllistrem, M. T.; Patin, Y.; Sigaud, J.; Cocu, F.

    1975-06-01

    Differential cross sections for neutron elastic and inelastic scattering from {sup 76}Se, {sup 78}Se, {sup 80}Se and {sup 82}Se, have been measured at 8-MeV incident neutron energy and from {sup 76}Se and {sup 82}Se at 6- and 10-MeV incident energies. The differences observed in the elastic scattering cross sections are interpretable as the effects of isospin term in the scattering potentials. A full analysis of the elastic scattering data are presented.

  7. 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.

  8. Detailed Visualization of Phase Evolution during Rapid Formation of Cu(InGa)Se2 Photovoltaic Absorber from Mo/CuGa/In/Se Precursors.

    Science.gov (United States)

    Koo, Jaseok; Kim, Sammi; Cheon, Taehoon; Kim, Soo-Hyun; Kim, Woo Kyoung

    2018-03-02

    Amongst several processes which have been developed for the production of reliable chalcopyrite Cu(InGa)Se 2 photovoltaic absorbers, the 2-step metallization-selenization process is widely accepted as being suitable for industrial-scale application. Here we visualize the detailed thermal behavior and reaction pathways of constituent elements during commercially attractive rapid thermal processing of glass/Mo/CuGa/In/Se precursors on the basis of the results of systematic characterization of samples obtained from a series of quenching experiments with set-temperatures between 25 and 550 °C. It was confirmed that the Se layer crystallized and then melted between 250 and 350 °C, completely disappearing at 500 °C. The formation of CuInSe 2 and Cu(InGa)Se 2 was initiated at around 450 °C and 550 °C, respectively. It is suggested that pre-heat treatment to control crystallization of Se layer should be designed at 250-350 °C and Cu(InGa)Se 2 formation from CuGa/In/Se precursors can be completed within a timeframe of 6 min.

  9. Investigation of CuGaSe2/CuInSe2 double heterojunction interfaces grown by molecular beam epitaxy

    Directory of Open Access Journals (Sweden)

    Sathiabama Thiru

    2015-02-01

    Full Text Available In-situ reflection high-energy electron diffraction (RHEED observation and X-ray diffraction measurements were performed on heterojunction interfaces of CuGaSe2/CnInSe2/CuGaSe2 grown on GaAs (001 using migration-enhanced epitaxy. The streaky RHEED pattern and persistent RHEED intensity oscillations caused by the alternate deposition of migration-enhanced epitaxy sequence are observed and the growths of smooth surfaces are confirmed. RHEED observation results also confirmed constituent material interdiffusion at the heterointerface. Cross-sectional transmission electron microscopy showed a flat and abrupt heterointerface when the substrate temperature is as low as 400 °C. These have been confirmed even by X-ray diffraction and photoluminescence measurements.

  10. Fermi surface deformation in a simple iron-based superconductor, FeSe

    Science.gov (United States)

    Coldea, Amalia; Watson, Matthew; Kim, Timur; Haghighirad, Amir; McCollam, Alix; Hoesch, Moritz; Schofield, Andrew

    2015-03-01

    One of the outstanding problems in the field superconductivity is the identification of the normal state out of which superconductivity emerges. FeSe is one of the simplest and most intriguing iron-based superconductors, since in its bulk form it undergoes a structural transition before it becomes superconducting, whereas its single-layer form is believed to be a high-temperature superconductor. The nature of the structural transition, occurring in the absence of static magnetism, is rather unusual and how the electronic structure is stabilized by breaking of the rotational symmetry is the key to understand the superconductivity in bulk FeSe. Here we report angle-resolved photoemission spectroscopy measurements on FeSe that gives direct access to the band structure and orbital-dependent effects. We complement our studies on bulk FeSe with low-temperature angular-dependent quantum oscillation measurements using applied magnetic fields that are sufficiently strong to suppress superconductivity and reach the normal state. These studies reveal a strong deformation of Fermi surface through the structural transition driven by electronic correlations and orbital-dependent effects. . This work was supported by EPSRC, UK (EP/I004475/1), Diamond Light Source, UK and HFML, Nijmegen.

  11. Effect of nonstoichiometry properties of CuInSe2

    International Nuclear Information System (INIS)

    Rogacheva, E.I.; Tavrina, T.V.

    1997-01-01

    The homogeneity area size of the CuInSe 2 semiconductor compound is determined by the (CuIn)-Se profile of the Cu-In-Se ternary system at 350 deg C. The microhardness and thermo-electromotive force dependences on Se content are studied after various kind of thermal treatment. Interpretation of the results obtained is given with and account of defects formation character by deviations from stoichiometry [ru

  12. Optical absorption of CdSe quantum dots on electrodes with different morphology

    Directory of Open Access Journals (Sweden)

    Witoon Yindeesuk

    2013-10-01

    Full Text Available We have studied the optical absorption of CdSe quantum dots (QDs adsorbed on inverse opal TiO2 (IO-TiO2 and nanoparticulate TiO2 (NP-TiO2 electrodes using photoacoustic (PA measurements. The CdSe QDs were grown directly on IO-TiO2 and NP-TiO2 electrodes by a successive ionic layer adsorption and reaction (SILAR method with different numbers of cycles. The average diameter of the QDs was estimated by applying an effective mass approximation to the PA spectra. The increasing size of the QDs with increasing number of cycles was confirmed by a redshift in the optical absorption spectrum. The average diameter of the CdSe QDs on the IO-TiO2 electrodes was similar to that on the NP-TiO2 ones, indicating that growth is independent of morphology. However, there were more CdSe QDs on the NP-TiO2 electrodes than on the IO-TiO2 ones, indicating that there were different amounts of active sites on each type of electrode. In addition, the Urbach parameter of the exponential optical absorption tail was also estimated from the PA spectrum. The Urbach parameter of CdSe QDs on IO-TiO2 electrodes was higher than that on NP-TiO2 ones, indicating that CdSe QDs on IO-TiO2 electrodes are more disordered states than those on NP-TiO2 electrodes. The Urbach parameter decreases in both cases with the increase of SILAR cycles, and it tended to move toward a constant value.

  13. Transient and modulated charge separation at CuInSe{sub 2}/C{sub 60} and CuInSe{sub 2}/ZnPc hybrid interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Morzé, Natascha von, E-mail: natascha.von_morze@helmholtz-berlin.de; Dittrich, Thomas, E-mail: dittrich@helmholtz-berlin.de; Calvet, Wolfram, E-mail: wolfram.calvet@helmholtz-berlin.de; Lauermann, Iver, E-mail: iver.lauermann@helmholtz-berlin.de; Rusu, Marin, E-mail: rusu@helmholtz-berlin.de

    2017-02-28

    Highlights: • Surface physical properties of non- and Na-treated CuInSe{sub 2} layers studied. • Evidence of exciton dissociation and charge separation at CuInSe{sub 2}/ZnPc interface. • Strong band bending at the CuInSe{sub 2} surface in contact with C{sub 60} observed. • No evidence for exciton dissociation at the CuInSe{sub 2}/C{sub 60} interface found. • Cu-poor phase at CuInSe{sub 2}/organic interface crucial for charge separation. - Abstract: Spectral dependent charge transfer and exciton dissociation have been investigated at hybrid interfaces between inorganic polycrystalline CuInSe{sub 2} (untreated and Na-conditioned) thin films and organic C{sub 60} as well as zinc phthalocyanine (ZnPc) layers by transient and modulated surface photovoltage measurements. The stoichiometry and electronic properties of the bare CuInSe{sub 2} surface were characterized by photoelectron spectroscopy which revealed a Cu-poor phase with n-type features. After the deposition of the C{sub 60} layer, a strong band bending at the CuInSe{sub 2} surface was observed. Evidence for dissociation of excitons followed by charge separation was found at the CuInSe{sub 2}/ZnPc interface. The Cu-poor layer at the CuInSe{sub 2} surface was found to be crucial for transient and modulated charge separation at CuInSe{sub 2}/organic hybrid interfaces.

  14. Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

    2017-09-04

    The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. SeO2 adsorption on CaO surface: DFT study on the adsorption of a single SeO2 molecule

    Science.gov (United States)

    Fan, Yaming; Zhuo, Yuqun; Lou, Yu; Zhu, Zhenwu; Li, Liangliang

    2017-08-01

    Selenium is a hazardous element in coal. During coal combustion, most of the selenium will convert to SeO2 in the flue gas. Ca-based adsorbents, especially CaO, have been considered as a potential sorbent to adsorb SeO2 due to its low cost. In this paper, the adsorption mechanisms of single SeO2 on CaO surface were investigated by density functional theory (DFT) calculation. Both the physisorption and chemisorption structures were determined. It has been identified that the adsorption of SeO2 on CaO surface is primarily chemisorption, while physisorption takes effects at the initial stage of the process. Under O2 atmosphere, selenate is hard to form. Most of the adsorption products are selenite. Additionally, the electron density maps were obtained to reveal the surface active sites. The partial density of states (PDOS) was calculated for analyzing the electronic structural change of SeO2 and CaO surface during adsorption. The results provide fundamental information of the adsorption process, which could be meaningful for the development of new absorbents.

  16. Cs2SeO4-UO2SeO4-H2O system at 25 deg C

    International Nuclear Information System (INIS)

    Serezhkina, L.B.; Serezhkin, V.N.

    1987-01-01

    Using the method of isothermal solubility at 25 deg C the interaction of cesium and uranyl selenates in aqueous solution is studied. Formation of congruently soluble Cs 2 UO 2 (SeO 4 ) 2 x2H 2 O and Cs 2 (UO 2 ) 2 x(SeO 4 ) 3 is ascertained, their crystallographic characteristics being determined

  17. Preparation and characterization of electrodeposited CuInSe{sub 2} thin films; Preparation et caracterisation des couches minces de CuInSe{sub 2} electrodeposees

    Energy Technology Data Exchange (ETDEWEB)

    Fahoume, M.; Chraibi, F.; Ennaoui, A. [Universite Mohammed 5, Rabat (Morocco). Faculte des Sciences; Fahoume, M.; Aggour, M. [Universite Ibn Tofail, Faculte des Sciences, Kenitra (Morocco)

    1998-01-01

    CuInSe{sub 2} is one of the most promising materials for use in photoelectrochemical as well in photovoltaic solar cells because of its excellent photoactive properties such as high optical absorption coefficient (10`4-10`5 cm`-`1) and good stability. It has been prepared from an aqueous solution containing CuCl{sub 2}, InCl{sub 3}, H{sub 2}SeO{sub 3} complexed by citrate (Na{sub 3}C{sub 6}H{sub 5}O{sub 7}). The kinetics of electrodeposition has been studied by using the rotating disk electrode method (RDE). X-ray diffraction showed the formation of CuInSe{sub 2} films, of chalcopyrite structure, at potentials ranged between -0.95 V and - 1.12 V (vs. SSE). The composition of the deposited films has been studied by energy dispersive analysis of X-rays (EDAX) and Rutherford backscattering spectroscopy (RBS). From the results, it has been found that stoichiometric chalcopyrite CuInSe{sub 2} has been obtained by controlling both composition, deposition potential, solution temperature and pH. (authors) 16 refs.

  18. Intermediate-range structure of amorphous GeSe{sub 2} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Y. [Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Yamagata 990-8560 (Japan)], E-Mail: su105@kdeve.kj.yamagata-u.ac.jp; Usuki, T. [Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Yamagata 990-8560 (Japan); Sakurai, M. [Institute for Material Research, Tohoku University, Sendai 980-8577 (Japan); Kohara, S. [Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 769-5198 (Japan)

    2007-03-25

    Neutron and high-energy X-ray diffraction measurements have been carried out at KENS-KEK and SPring-8, in order to investigate detailed structures of amorphous GeSe{sub 2} prepared by the rapid quenching method. Considerable intermediate-range ordering is evident from the presence of a first sharp diffraction peak at low magnetides of the scattering vector. Well-defined first and second peaks are found at around 2.36 and 3.90 A in the pair distribution function g(r). A small shoulder related to the existence of edge-sharing tetrahedral units is observed at a shorter r side of the second peak in g(r). Partial distribution functions, partial structure factors and bond-angle distributions can be obtained by Reverse Monte Carlo simulation. Results suggest that there are homo-polar bonds in tetrahedral structural units, and then the glass network is constructed by not only corner-sharing but also edge-sharing tetrahedra.

  19. Fabrication mechanism of FeSe superconductors with high-energy ball milling aided sintering process

    International Nuclear Information System (INIS)

    Zhang, Shengnan; Liu, Jixing; Feng, Jianqing; Wang, Yao; Ma, Xiaobo; Li, Chengshan; Zhang, Pingxiang

    2015-01-01

    FeSe Superconducting bulks with high content of superconducting PbO-type β-FeSe phase were prepared with high-energy ball milling (HEBM) aided sintering process. During this process, precursor powders with certain Fe/Se ratio were ball milled first then sintered. The influences of HEBM process as well as initial Fe/Se ratio on the phase evolution process were systematically discussed. With HEBM process and proper initial Fe/Se ratio, the formation of non-superconducting hexagonal δ-FeSe phase were effectively avoided. FeSe bulk with the critical temperature of 9.0 K was obtained through a simple one-step sintering process with lower sintering temperature. Meanwhile, the phase evolution mechanism of the HEBM precursor powders during sintering was deduced based on both the thermodynamic analysis and step-by-step sintering results. The key function of the HEBM process was to provide a high uniformity of chemical composition distribution, thus to successfully avoide the formation of intermediate product during sintering, including FeSe 2 and Fe 7 Se 8 . Therefore, the fundamental principal for the synthesis of FeSe superconductors were concluded as: HEBM aided sintering process, with the sintering temperature of >635 °C and a slow cooling process. - Highlights: • A novel synthesis technique was developed for FeSe based superconductors. • FeSe bulks with high Tc and high β-FeSe phase content has been obtained. • Phase evolution process for the HEBM aided sintering process was proposed

  20. Uma questão para a educacão inclusiva: expor-se ou resguardar-se?

    Directory of Open Access Journals (Sweden)

    Marie Claire Sekkel

    Full Text Available Este artigo discute as relações entre os atores institucionais que participam de uma proposta de educação escolar inclusiva. Com essa finalidade, foram utilizados recortes dos dados coletados em uma pesquisa sobre a construção de ambientes inclusivos, realizada em uma escola municipal de educação infantil em São Paulo, no período de 2006 a 2008. Os dados foram organizados em torno da questão expor-se ou resguardar-se?, que dá visibilidade aos movimentos presentes nas relações institucionais. A pesquisa utilizou a etnografia como método de coleta de dados, e a análise foi feita com base no referencial da teoria crítica da sociedade. Os resultados apontam a presença do sentimento de ameaça, que gera a necessidade de resguardo, e também de situações de abertura à experiência no trabalho desenvolvido com as crianças, que pressupõem a necessidade de expor-se diante de si e do(s outro(s. Segundo autores da Escola de Frankfurt, a origem desse sentimento de ameaça é social, e o medo deve tornar-se consciente para que seus efeitos destrutivos para o indivíduo e para as relações sociais possam ser evitados. A abertura à experiência, por outro lado, é necessária para a produção de uma consciência verdadeira, que é o principal objetivo da educação segundo Theodor Adorno, e deve ser considerada elemento fundamental para os processos educacionais inclusivos.

  1. Novel red-emission of ternary ZnCdSe semiconductor nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Shu-Ru, E-mail: srchung@nfu.edu.tw [National Formosa University, Graduate Institute of Materials Science and Green Energy Engineering (China); Wang, Kuan-Wen [National Central University, Institute of Materials Science and Engineering (China); Chen, Hong-Shuo; Chen, Hong-Hong [National Formosa University, Graduate Institute of Materials Science and Green Energy Engineering (China)

    2015-02-15

    The effect of chain lengths of fatty acids on the physical properties of CdSe and ZnCdSe semiconductor nanocrystals (NCs) synthesized by the colloidal chemistry procedure is investigated. The fatty acids, lauric acid (LA), and stearic acid (SA), with different lengths of carbon chains, are used to prepare CdSe and ZnCdSe NCs when hexyldecylamine (HDA) is applied as the sole surfactant. For CdSe–SA and ZnCdSe–SA, they have the same emission wavelength at 592 nm and the same particle size of 3.3 nm; however, their quantum yield (QY) is 75 and 16 %, respectively. In contrast, the emission wavelength of CdSe–LA and ZnCdSe–LA NCs is 609 and 615 nm, the particle size is about 3.5 and 4 nm under the same reaction time, and the QY of them are 33 and 59 %, respectively. The X-ray diffraction pattern shows that ZnCdSe NCs all have the wurtzite structure, and their main peaks are located between those of pure CdSe and ZnSe materials. The main phase of ZnCdSe–SA and ZnCdSe–LA is ZnSe and CdSe, respectively, implying that alloyed ZnCdSe NC can be prepared and ZnSe and CdSe phase can be promoted by SA and LA, respectively. Moreover, the QY of red-emission ZnCdSe–LA is higher than 50 %. These results suggest that the growth rate of CdSe as well as ZnCdSe NC can be enhanced by using LA as complex reagent and HDA as sole surfactant. It is expected that the reported effective synthetic strategy can be developed as a very practical, easy and not time-consuming approach to prepare red emissive NCs with high QY and high reproducibility.

  2. Novel red-emission of ternary ZnCdSe semiconductor nanocrystals

    International Nuclear Information System (INIS)

    Chung, Shu-Ru; Wang, Kuan-Wen; Chen, Hong-Shuo; Chen, Hong-Hong

    2015-01-01

    The effect of chain lengths of fatty acids on the physical properties of CdSe and ZnCdSe semiconductor nanocrystals (NCs) synthesized by the colloidal chemistry procedure is investigated. The fatty acids, lauric acid (LA), and stearic acid (SA), with different lengths of carbon chains, are used to prepare CdSe and ZnCdSe NCs when hexyldecylamine (HDA) is applied as the sole surfactant. For CdSe–SA and ZnCdSe–SA, they have the same emission wavelength at 592 nm and the same particle size of 3.3 nm; however, their quantum yield (QY) is 75 and 16 %, respectively. In contrast, the emission wavelength of CdSe–LA and ZnCdSe–LA NCs is 609 and 615 nm, the particle size is about 3.5 and 4 nm under the same reaction time, and the QY of them are 33 and 59 %, respectively. The X-ray diffraction pattern shows that ZnCdSe NCs all have the wurtzite structure, and their main peaks are located between those of pure CdSe and ZnSe materials. The main phase of ZnCdSe–SA and ZnCdSe–LA is ZnSe and CdSe, respectively, implying that alloyed ZnCdSe NC can be prepared and ZnSe and CdSe phase can be promoted by SA and LA, respectively. Moreover, the QY of red-emission ZnCdSe–LA is higher than 50 %. These results suggest that the growth rate of CdSe as well as ZnCdSe NC can be enhanced by using LA as complex reagent and HDA as sole surfactant. It is expected that the reported effective synthetic strategy can be developed as a very practical, easy and not time-consuming approach to prepare red emissive NCs with high QY and high reproducibility

  3. Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

    Science.gov (United States)

    Kafashan, Hosein; Azizieh, Mahdi; Balak, Zohre

    2017-07-01

    SnS1-xSex nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, -1 V, and 30 min, respectively. SnS1-xSex nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV-vis spectroscopy. The XRD patterns revealed that the SnS1-xSex nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS1-xSex nanostructures due to Se-doping. PL and UV-vis spectroscopy were used to evaluate the optical properties of SnS1-xSex thin films. The PL spectra of SnS1-xSex nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV-vis spectra showed that the optical band gap energy (Eg) of SnS1-xSex nanostructures varied between 1.22-1.65 eV, due to Se-doping.

  4. The influence of thermal treatment and irradiation on specific resistance of (SnSe)1-x - (PrSe)x solid solutions

    International Nuclear Information System (INIS)

    Huseynov, J.I.; Murguzov, M.I.; Ismayilov, Sh.S.; Jafarov, T.A.

    2014-01-01

    Full text: It was studied some kinetic coefficients in cluding specific resistance of (SnSe) 1 -x - (PrSe) x solid solutions as well. Special interest was caused by composetions of above mentioned system for which the influence of irradiation and thermal treatment following this irradiation was explored. By its electric characteristics praseodymium monoselenide belongs to metals because a metallic link is formed among cation atoms in PrSe, at the expense of cohich praseodymium atoms possess an oxidation degree equalling to 3+

  5. Electrodeposition of epitaxial CdSe on (111) gallium arsenide

    Energy Technology Data Exchange (ETDEWEB)

    Cachet, H.; Cortes, R.; Froment, M. [Universite Pierre et Marie Curie, Paris (France). Phys. des Liquides et Electrochimie; Etcheberry, A. [Institut Lavoisier (IREM) UMR CNRS C0173, Universite de Versailles- St Quentin en Yvelynes, 45 Avenue des Etats Unis, 78035, Versailles (France)

    2000-02-21

    Epitaxial growth of CdSe has been achieved on GaAs(111) by electrodeposition from an aqueous electrolyte. The structure of the film corresponds to the cubic modification of CdSe. The quality of epitaxy has been investigated by reflection high energy electron diffraction, transmission electron microscopy and X-ray diffraction techniques. By XPS measurements the chemistry of the CdSe/GaAs interface and the composition of CdSe are determined. (orig.)

  6. An x-ray study of InSe

    International Nuclear Information System (INIS)

    Nagpal, K.C.; Ali, Z.

    1975-01-01

    Complete X-ray powder pattern of InSe, so far not available to literature, has been analyzed. The layer structure is based on a rhombohedral lattice cell, with space group R 3m, a sub(o) = 4.0046 +- 0.0005 A, csub(o) = 25.960 +- 0.004 A, and atomic position in 3 (a) of the space group : Zsub(In) = +-0.0555, Zsub(se) = 2/3 +- 0.106. Extreme softness and initial observe-reverse orientation of the rhombohedral cell in adjacent parts of a crystal or in thin lamellae parallel to the basal cleavage planes appear to be the main factors responsible for the characteristic sets of sharp and diffuse lines in the powder patterns normally obtained. These and Gandolfi camera powder patterns for several crystals are given. Heat treatment of powders obtained through cold work has indicated that comparatively short duration of 'annealing' at 600 deg C improves the powder pattern to some extent, but longer periods give products consisting of other phases of the In-Se system with small amount of InSe. The relative proportion of free space over the InSe powders in capsules as well as the amount of cold work seem to be the two main factors affecting the decomposition of InSe and appearance of other phases. Large platy crystals, on the other hand, withstand the heat treatment for a longer time. Even they undergo drastic changes in the sructure on prolonged heating at 600 deg C, yielding hexagonal phases with a common csub(o) = 19.26 A and a sub(o) = 4.0 and 7.11 respectively. (author)

  7. Ab initio calculation of pentacene-PbSe hybrid interface for photovoltaic applications.

    Science.gov (United States)

    Roy, P; Nguyen, Thao P

    2016-07-21

    We perform density functional theory (DFT) quantum chemical calculations for the pentacene-PbSe hybrid interface at both molecular and crystal levels. At the interface, the parallel orientation of pentacene on the PbSe surface is found to be the most favorable, analogous to a pentacene-gold interface. The molecule-surface distance and the value of charge transfer from one pentacene molecule to the PbSe surface are estimated at around 4.15 Å and 0.12 e(-) respectively. We found that, standard-LDA/GGA-PBE/hybrid/meta-GGA xc-functionals incorrectly determine the band gaps of both pentacene and PbSe and leads to a failed prediction of the energy alignment in this system. So, we use a relativistic G0W0 functional and accurately model the electronic properties of pentacene and PbSe in both bulk material and near the interface. An energy shift of 0.23 eV, due to the difference in work function at the interface was supplemented after a detailed analysis of the electrostatic potential. The highest occupied molecular orbital level of pentacene is 0.01 eV above PbSe while the lowest unoccupied molecular orbital of pentacene lies 1.70 eV above PbSe, allowing both electrons and holes to transfer along the donor-acceptor junction. Our results provide additional insights into the electronic structure properties of the pentacene-PbSe heterojunction and establish it as a promising and efficient candidate for photovoltaic applications.

  8. The effects of local correlations on the electronic structure of FeSe

    Science.gov (United States)

    Watson, Matthew; Kim, Timur; Haghighirad, Amir; Coldea, Amalia

    FeSe is structurally the simplest of Fe-based superconductors, but its complex and unique properties pose important theoretical questions. One important aspect of the physics of FeSe is the understanding of the strength and effects of electronic correlations. In order to explore this, we have performed angle-resolved photo-emission spectroscopy (ARPES) measurements on high quality bulk single crystals of FeSe over a wide range of binding energies, in different scattering geometries and with varying incident photon energies, analysing the quasiparticle renormalisations, scattering rates and degree of coherence. We find that FeSe exhibits moderately strong, orbital-dependent correlation effects which are understood to arise primarily due to local electron-electron interactions on the Fe sites. We conclude that electronic correlations constitute a key ingredient in understanding the electronic structure of FeSe. Part of this work was supported by EPSRC, UK (EP/I004475/1, EP/I017836/1). We thank Diamond Light Source for access to Beamline I05.

  9. Study of structural phase transition in KD3 (Se O3)2 and Na H3(Se O3)2 by EPR

    International Nuclear Information System (INIS)

    Silva, J.C.M. da.

    1988-01-01

    The electron paramagnetic resonance of Se O - 2 centers in KD 3 (Se O 3 ) 2 and Na H 3 (Se O 3 ) 2 was done in the temperature ranges of -170 0 C o +80 0 C and +25 0 C to -185 0 C, respectively. (A.C.A.S.)

  10. The system SnTe-InSe

    International Nuclear Information System (INIS)

    Gurshumov, A.P.; Alidzhanov, M.A.; Aliev, A.S.; Gadzhiev, T.G.; Mamedov, N.A.

    1986-01-01

    This paper discusses the nature of the interaction and physicochemical properties of the alloys of the system SnTe-InSe. The DTA was performed on an NTR-74 pyrometer, XPA on a Dron-2.0 diffractometer and MSA on an MIM-7 metallographic microscope. The microhardness of the samples was determined on a PMT-3 microhardness tester. The congruently melting compound SnInTeSe and solid solutions based on the starting components are formed in the system

  11. Electronic Properties of Graphene-PtSe2 Contacts.

    Science.gov (United States)

    Sattar, Shahid; Schwingenschlögl, Udo

    2017-05-10

    In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe 2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe 2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe 2 and a p-type Schottky contact with bilayer PtSe 2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.

  12. Electronic Properties of Graphene–PtSe2 Contacts

    KAUST Repository

    Sattar, Shahid

    2017-04-26

    In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe2 and a p-type Schottky contact with bilayer PtSe2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.

  13. Electronic Properties of Graphene–PtSe2 Contacts

    KAUST Repository

    Sattar, Shahid; Schwingenschlö gl, Udo

    2017-01-01

    In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe2 and a p-type Schottky contact with bilayer PtSe2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.

  14. Electrochemical growth and studies of CuInSe2 thin films

    International Nuclear Information System (INIS)

    Prasher, Dixit; Chandel, Tarun; Rajaram, Poolla

    2014-01-01

    Thin films of CuInSe 2 were grown on fluorine doped tin oxide (<10 Ω/□) coated glass using the electrodeposition technique. The electrodeposition was carried out potentiostatically using an aqueous bath consisting of solutions of CuCl 2 , InCl 3 and SeO 2 with ethylenediamine-dihydrochloride (EDC) added for complexation. CuInSe 2 films were also deposited without using any complexing agent in the bath. To improve the crystallinity the CuInSe 2 films were annealed in vaccum at 300 °C for one hour. The annealed films were analyzed by x-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive analysis of x-rays (EDAX), atomic force microscopy (AFM) and optical spectra. The results obtained in this work show that by adding a suitable complexing agent to the electrochemical bath, nanocrystalline CuInSe 2 , 20 nm to 30 nm in size, can be grown. The composition of the CuInSe 2 films can be controlled by means of the bath composition and stoichiometric films can be obtained for a bath with ionic Cu:In:Se composition close to 1:4:2. AFM micrographs show that the particles are generally oval shaped for near stoichiometric compositions. However for extreme copper rich layers, the morphology is completely different, the particles in this case appearing in the form of nanoflakes. Each flake has a thickness in the nano range, but the surface extends to a length of several microns. (papers)

  15. The influence of CdSe and ZnSe nanoparticles on the optical properties of Sm{sup 3+} ions in lead borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Mallur, Saisudha B.; Heidorn, William D.; Fatokun, Stephen O.; Joshi, Krishna D.; Bista, Sandip S.; Babu, Panakkattu K., E-mail: PK-Babu@wiu.edu [Western Illinois University, Department of Physics (United States)

    2017-03-15

    The effect of glass composition and the presence of CdSe/ZnSe nanoparticles (NPs) on the optical absorption and fluorescence of Sm-doped lead borate glasses are studied. Three sets of glass samples xPbO:(99.5-x) B{sub 2}O{sub 3}:0.5Sm{sub 2}O{sub 3}, x = 29.5–69.5 mol%, xPbO:(96.5-x) B{sub 2}O{sub 3}:0.5Sm{sub 2}O{sub 3}: 3CdSe/ZnSe, x = 36.5, and 56.5 mol% are prepared. NPs are grown by annealing these glasses just below the glass transition temperature. Average size of both types of NPs increases with annealing time; however, CdSe NPs grew to a larger size range (2 to 20 nm) compared to ZnSe NPs (1 to 16 nm). We analyzed the hypersensitive transition, intensity parameters, radiative transition probability, stimulated emission cross section (σ{sub p}), and the area ratio of the electric dipole/magnetic dipole transitions of Sm{sup 3+}. The intensity parameters show a minimum at 11 h annealing for 36.5 mol% and a maximum for the same annealing duration in 56.5 mol% PbO containing CdSe NPs. The σ{sub p} for 56.5 mol% of PbO with CdSe NPs is found to be a maximum when the average NP size is around 14 nm. ZnSe NPs containing glasses also show significant changes in σ{sub p} when the average particle size is ~16 nm, for 36.5 mol% PbO. Our results suggest that the optical properties of Sm{sup 3+} in lead borate glasses are sensitive to its electronic environment which can be modified by varying the base glass composition and/or incorporating large NPs of CdSe/ZnSe. The large σ{sub p} values that we observe for some of the glass compositions make them attractive materials for photonic devices and photovoltaic applications.

  16. The Antiphagocytic Activity of SeM of Streptococcus equi Requires Capsule.

    Science.gov (United States)

    Timoney, John F; Suther, Pranav; Velineni, Sridhar; Artiushin, Sergey C

    2014-01-01

    Resistance to phagocytosis is a crucial virulence property of Streptococcus equi (Streptococcus equi subsp. equi; Se), the cause of equine strangles. The contribution and interdependence of capsule and SeM to killing in equine blood and neutrophils were investigated in naturally occurring strains of Se. Strains CF32, SF463 were capsule and SeM positive, strains Lex90, Lex93 were capsule negative and SeM positive and strains Se19, Se1-8 were capsule positive and SeM deficient. Phagocytosis and killing of Se19, Se1-8, Lex90 and Lex93 in equine blood and by neutrophils suspended in serum were significantly (P ≤ 0.02) greater compared to CF32 and SF463. The results indicate capsule and SeM are both required for resistance to phagocytosis and killing and that the anti-phagocytic property of SeM is greatly reduced in the absence of capsule.

  17. Electrodeposition and Thermoelectric Properties of Cu-Se Binary Compound Films

    Science.gov (United States)

    Yang, Mengqian; Shen, Zhengwu; Liu, Xiaoqing; Wang, Wei

    2016-03-01

    Cu-Se binary compound films have been prepared by electrodeposition from solutions containing CuSO4, H2SeO3, and H2SO4 and their composition, structure, and thermoelectric performance analyzed. Moving the depositing potential negatively increased the Cu content in the film, remarkably so for relatively low Cu2+ concentration in the solution. X-ray diffraction analysis showed that the phase composition of the films varied with their Cu content. Cu-Se binary compound films electrodeposited from solutions with different concentration ratios of CuSO4 to H2SeO3 showed two different phases: α-Cu2- x Se (monoclinic) with Se content in the range of 33.3 at.% to 33.8 at.%, and β-Cu2Se (cubic) with Se content in the range of 35.3 at.% to 36.0 at.%. The highest power factor for electrodeposited Cu2- x Se film was 0.13 mW/(K2 m) with Seebeck coefficient of 56.0 μV/K.

  18. Epitaxial growth of CZT(S,Se) on silicon

    Science.gov (United States)

    Bojarczuk, Nestor A.; Gershon, Talia S.; Guha, Supratik; Shin, Byungha; Zhu, Yu

    2016-03-15

    Techniques for epitaxial growth of CZT(S,Se) materials on Si are provided. In one aspect, a method of forming an epitaxial kesterite material is provided which includes the steps of: selecting a Si substrate based on a crystallographic orientation of the Si substrate; forming an epitaxial oxide interlayer on the Si substrate to enhance wettability of the epitaxial kesterite material on the Si substrate, wherein the epitaxial oxide interlayer is formed from a material that is lattice-matched to Si; and forming the epitaxial kesterite material on a side of the epitaxial oxide interlayer opposite the Si substrate, wherein the epitaxial kesterite material includes Cu, Zn, Sn, and at least one of S and Se, and wherein a crystallographic orientation of the epitaxial kesterite material is based on the crystallographic orientation of the Si substrate. A method of forming an epitaxial kesterite-based photovoltaic device and an epitaxial kesterite-based device are also provided.

  19. A neutron scattering study of the quasi-one-dimensional conductor (TaSe{sub 4}){sub 2}I

    Energy Technology Data Exchange (ETDEWEB)

    Lorenzo, J.E.; Currat, R. [Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9 (France); Monceau, P. [Centre de Recherches sur les Tres Basses Temperatures, associe a l' Universite Joseph Fourier, CNRS, BP 166, 38042 Grenoble Cedex 9 (France); Hennion, B. [Laboratoire Leon Brillouin, Centre d' Etudes de Saclay, 91191 Gif-sur-Yvette Cedex (France); Berger, H.; Levy, F. [Institut de Physique Appliquee, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland)

    1998-06-15

    The Peierls phase transition in the quasi-one-dimensional conductor (TaSe{sub 4}){sub 2}I is investigated by means of elastic and inelastic neutron scattering. The effective critical exponent {beta}, extracted from the temperature dependence of the integrated intensity from the CDW satellite reflections, is anomalously low, suggesting that the phase transition may be of first order. The intensity distribution among symmetry-related satellite reflections indicates a domain structure with slowly fluctuating domain populations. Correlation lengths associated with the diverging 'central peak' are determined and are found to be nearly isotropic, at variance with results obtained on other quasi-one-dimensional compounds, such as platinum chains (KCP) or blue bronze, K{sub 0.3}MoO{sub 3}. Doping with 1.2% Nb has a severe effect on the modulated state. The low-temperature satellites are replaced by a diffuse scattering distribution elongated along c*. The absence of a phonon soft mode and the presence of a diverging central peak at the phase transition is interpreted within the framework of strong electron-phonon coupling. Finally, we propose a Ginzburg-Landau phenomenological model, where the interplay between the electronically coupled optical-like order parameter (Ta-atom tetramerization along the chain axis) and the elastic deformations lies at the origin of the phase transition in (TaSe{sub 4}){sub 2}I. (author)

  20. SeO2 adsorption on CaO surface: DFT and experimental study on the adsorption of multiple SeO2 molecules

    Science.gov (United States)

    Fan, Yaming; Zhuo, Yuqun; Li, Liangliang

    2017-10-01

    SeO2 adsorption mechanisms on CaO surface were firstly investigated by both density functional theory (DFT) calculations and adsorption experiments. Adsorption of multiple SeO2 on the CaO (001) surface was investigated using slab model. Based on the results of adsorption energy and surface property, a double-layer adsorption mechanisms were proposed. In experiments, the SeO2 adsorption products were prepared in a U-shaped quartz reactor at 200 °C. The surface morphology was investigated by field emission scanning electron microscopy (FE-SEM). The superficial and total SeO2 mass fractions were measured by X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma atomic emission spectroscopy (ICP-AES), respectively. The surface valence state and bulk structure are determined by XPS and X-Ray Diffraction (XRD). The experimental results are in good agreement with the DFT results. In conclusion, the fundamental SeO2 chemisorption mechanisms on CaO surface were suggested.

  1. Porous Se@SiO2 nanospheres treated paraquat-induced acute lung injury by resisting oxidative stress

    Directory of Open Access Journals (Sweden)

    Zhu Y

    2017-09-01

    Full Text Available Yong Zhu,1,* Guoying Deng,2,* Anqi Ji,2 Jiayi Yao,1 Xiaoxiao Meng,1 Jinfeng Wang,1 Qian Wang,2 Qiugen Wang,2 Ruilan Wang1 1Department of Critical Care Medicine, Shanghai General Hospital, Shanghai Jiaotong University, School of Medicine, 2Trauma Center, Shanghai General Hospital, Shanghai Jiaotong University, School of Medicine, Shanghai, China *These authors contributed equally to this work Abstract: Acute paraquat (PQ poisoning is one of the most common forms of pesticide poisoning. Oxidative stress and inflammation are thought to be important mechanisms in PQ-induced acute lung injury (ALI. Selenium (Se can scavenge intracellular free radicals directly or indirectly. In this study, we investigated whether porous Se@SiO2 nanospheres could alleviate oxidative stress and inflammation in PQ-induced ALI. Male Sprague Dawley rats and RLE-6TN cells were used in this study. Rats were categorized into 3 groups: control (n=6, PQ (n=18, and PQ + Se@SiO2 (n=18. The PQ and PQ + Se@SiO2 groups were randomly and evenly divided into 3 sub-groups according to different time points (24, 48 and 72 h after PQ treatment. Porous Se@SiO2 nanospheres 1 mg/kg (in the PQ + Se@SiO2 group were administered via intraperitoneal injection every 24 h. Expression levels of reduced glutathione, malondialdehyde, superoxide dismutase, reactive oxygen species (ROS, nuclear factor-κB (NF-κB, phosphorylated NF-κB (p-NF-κB, tumor necrosis factor-α and interleukin-1β were detected, and a histological analysis of rat lung tissues was performed. The results showed that the levels of ROS, malondialdehyde, NF-κB, p-NF-κB, tumor necrosis factor-α and interleukin-1β were markedly increased after PQ treatment. Glutathione and superoxide dismutase levels were reduced. However, treatment with porous Se@SiO2 nanospheres markedly alleviated PQ-induced oxidative stress and inflammation. Additionally, the results from histological examinations and wet-to-dry weight ratios of rat lung

  2. Electroluminescence of colloidal ZnSe quantum dots

    International Nuclear Information System (INIS)

    Dey, S.C.; Nath, S.S.

    2011-01-01

    The article reports a green chemical synthesis of colloidal ZnSe quantum dots at a moderate temperature. The prepared colloid sample is characterised by UV-vis absorption spectroscopy and transmission electron microscopy. UV-vis spectroscopy reveals as-expected blue-shift with strong absorption edge at 400 nm and micrographs show a non-uniform size distribution of ZnSe quantum dots in the range 1-4 nm. Further, photoluminescence and electroluminescence spectroscopies are carried out to study optical emission. Each of the spectroscopies reveals two emission peaks, indicating band-to-band transition and defect related transition. From the luminescence studies, it can be inferred that the recombination of electrons and holes resulting from interband transition causes violet emission and the recombination of a photon generated hole with a charged state of Zn-vacancy gives blue emission. Meanwhile electroluminescence study suggests the application of ZnSe quantum dots as an efficient light emitting device with the advantage of colour tuning (violet-blue-violet). - Highlights: → Synthesis of ZnSe quantum dots by a green chemical route. → Characterisation: UV-vis absorption spectroscopy and transmission electron microscopy. → Analysis of UV-vis absorption spectrum and transmission electron micrographs. → Study of electro-optical properties by photoluminescence and electroluminescence. → Conclusion: ZnSe quantum dots can be used as LED with dual colour emission.

  3. Crystal structure, Raman scattering and magnetic properties of CuCr2-xZrxSe4 and CuCr2-xSnxSe4 selenospinels

    Science.gov (United States)

    Pinto, C.; Galdámez, A.; Barahona, P.; Moris, S.; Peña, O.

    2018-06-01

    Selenospinels, CuCr2-xMxSe4 (M = Zr and Sn), were synthesized via conventional solid-state reactions. The crystal structure of CuCr1.5Sn0.5Se4, CuCr1.7Sn0.3Se4, CuCr1.5Zr0.5Se4, and CuCr1.8Zr0.2Se4 were determined using single-crystal X-ray diffraction. All the phases crystallized in a cubic spinel-type structure. The chemical compositions of the single-crystals were examined using energy-dispersive X-ray analysis (EDS). Powder X-ray diffraction patterns of CuCr1.3Sn0.7Se4 and CuCr1.7Sn0.3Se4 were consistent with phases belonging to the Fd 3 bar m Space group. An analysis of the vibrational properties on the single-crystals was performed using Raman scattering measurements. The magnetic properties showed a spin glass behavior with increasing Sn content and ferromagnetic order for CuCr1.7Sn0.3Se4.

  4. The absolute age of SE-RF-6 (Ngamanie) and its relation to SE-RF-2 (Nenumbo) : two decorated lapita sites in the southeast Solomon Islands

    International Nuclear Information System (INIS)

    Green, R.C.; Jones, M.

    2007-01-01

    The relative age of SE-RF-6, SE-RF-2 and SE-SZ-8, three decorative phase Lapita sites in the Reef/Santa Cruz region of the Outer Easter Islands of Solomon Islands, has been the subject of dispute. A review of the evidence recovered from SE-RF-6 (Ngamanie), in conjunction with a Bayesian calibration model, supports the notion that it postdates the nearby site of SE-RF-2 (Nenumbo). We conclude that the SE-RF-6 represents an occupation of 50 to 100 years duration (compared with 50 or less for SE-RF-2), beginning some time in the interval 2470-2910 BP. (author). 22 refs., 4 figs., 3 tabs

  5. Structural and thermal investigations of an amorphous GaSe9 alloy using EXAFS, cumulant expansion, and reverse Monte Carlo simulations

    International Nuclear Information System (INIS)

    Siqueira, M. C.; Maia, R. N. A.; Araujo, R. M. T.; Machado, K. D.; Stolf, S. F.

    2015-01-01

    In this article, we investigated structural and thermal properties of an amorphous alloy of the Ga–Se system. The amorphous GaSe 9 alloy was produced by mechanical alloying and it was studied using EXAFS spectroscopy and cumulant expansion method. We also made reverse Monte Carlo simulations using the total structure factor S(K) obtained from x-ray diffraction and the EXAFS χ(k) oscillations on Se and Ga K edges as input data. Several parameters, such as average coordination numbers and interatomic distances, structural and thermal disorders, asymmetry of the partial distribution functions g ij (r), and Einstein and Debye temperatures, were determined. The g ij E (r) functions were reconstructed from the cumulants C 1 , C 2 , and C 3 obtained from the Einstein model, and they were compared to the g ij RMC (r) functions obtained from the simulations. The simulations also furnished the partial bond angle distribution functions Θ ijℓ (cosθ), which describe the angular distribution of bonds between first neighbors, and give information about the kind of structural units present in the alloy

  6. $\\beta$- decay of the N=Z, rp-process waiting points: $^{64}$Ge, $^{68}$Se and the N=Z+2: $^{66}$Ge, $^{70}$Se for accurate stellar weak-decay rates

    CERN Multimedia

    The contribution of electron capture to weak-decay rates has been neglected in model calculations of Type I X-ray bursts so far. Nucleosynthesis in these astrophysical events eventually proceeds through the rp-process near the proton drip-line. In particular, several N=Z nuclei such as $^{64}$Ge and $^{68}$Se act as waiting points in the nuclear flow due to the low S${_P}$ values of their Z+1 neighbours. Recent theoretical calculations have shown that, in these high density ($\\thicksim10^{6}$ g/cm$^3$) and high temperature (1 - 2 GK) scenarios, continuum electron capture rates might play an important role, in particular for species at and around these waiting point nuclei. This proposal is aimed at the study of the $\\beta^{+}$/EC-decay of the waiting point nuclei $^{64}$Ge, $^{68}$Se and their N=Z+2 second neighbours $^{66}$Ge and $^{70}$Se with the Total Absorption Spectroscopy method. This will allow for a detailed analysis of their contribution to the EC-decay rates in X-Ray burst explosions. The proposed ...

  7. Deuterium resonance of KD3(SeO3)2 single crystals above and below phase transition

    International Nuclear Information System (INIS)

    Grande, S.; Mecke, H.D.; Shuvalov, L.A.

    1978-01-01

    Deuterium resonance investigations of KD 3 (SeO 3 ) 2 single crystals are performed both in the paraelectric and ferroelastic phase. The electric quadrupole coupling constants lie between 120 and 180 kHz. The directions of the qsub(zz)-components of the EFG-tensors are in good agreement with the hydrogen bond directions determined by X-ray structure analysis and neutron scattering. There are two types of hydrogen bonds with different behaviour at phase transition. The O(2)...H...O(2) bond shows an order-disorder process in contrast to the O(3)-H...O(1) bond being present below Tsub(c) in two bond lengths. The first bond turns out of the ac-plane by the monoclinic angle. The temperature dependence of the spectra is examined at a defined orientation between room temperature and -40 0 C. (author)

  8. Local structure of Rb2Li4(SeO4)3·2H2O by the modeling of X-ray diffuse scattering — from average-structure to microdomain model

    International Nuclear Information System (INIS)

    Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam

    2012-01-01

    Local structure of dirubidium tetralithium tris(selenate(VI)) dihydrate — Rb 2 Li 4 (SeO 4 ) 3 · 2H 2 O has been determined basing on the modeling of X-ray diffuse scattering. The origin of observed structured diffuse streaks is SeO 4 tetrahedra switching between two alternative positions in two quasi-planar layers existing in each unit cell and formation of domains with specific SeO 4 tetrahedra configuration locally fulfilling condition for C-centering in the 2a×2b×c superstructure cell. The local structure solution is characterized by a uniform distribution of rather large domains (ca. thousand of unit cells) in two layers, but also monodomains can be taken into account. Inside a single domain SeO 4 tetrahedra are ordered along ab-diagonal forming two-string ribbons. Inside the ribbons SeO 4 and LiO 4 tetrahedra share the oxygen corners, whereas ribbons are bound to each other by a net of hydrogen bonds and fastened by corner sharing SeO 4 tetrahedra of the neighboring layers. - Graphical abstract: Experimental sections of the reciprocal space showing diffraction effects observed for RLSO. Bragg spots are visible on sections with integer indices (1 kl section — on the left), streaks — on sections with fractional ones (1.5 kl section — on the right). At the center: resulting local structure of the A package modeled as a microdomain: two-string ribbons of ordered oxygen-corners-sharing SeO 4 and LiO 4 terahedra extended along ab-diagonal are seen; ribbons are bound by hydrogen bonds (shown in pink); the multiplied 2a×2b unit cell is shown. Highlights: ► X-ray diffuse scattering in RLSO was registered and modeled. ► The origin of diffuse streaks is SeO 4 tetrahedra switching in two structure layers. ► The local structure is characterized by a uniform distribution of microdomains. ► Inside a single domain SeO 4 tetrahedra are ordered along ab-diagonal forming ribbons. ► The ribbons are bound to each other by a net of hydrogen bonds.

  9. Raman scattering and structural analysis of electrodeposited CuInSe{sub 2} and S-rich quaternary CuIn(S,Se){sub 2} semiconductors for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Izquierdo-Roca, Victor; Fontane, Xavier; Morante, Joan Ramon [Departament d' Electronica, Universitat de Barcelona (Spain); Saucedo, Edgardo; Ruiz, Carmen M.; Grand, Pierre-Philippe; Jaime-Ferrer, Jesus Salvador; Bermudez, Veronica [Institut de Recherche et Developement sur l' Energie Photovoltaique (IRDEP), Chatou (France); Calvo-Barrio, Lorenzo [Departament d' Electronica, Universitat de Barcelona (Spain); Lab. Analisis de Superficies, SCT, Universitat de Barcelona (Spain); Alvarez-Garcia, Jacobo [Centre de Recerca i Investigacio de Catalunya (CRIC), Barcelona (Spain); Perez-Rodriguez, Alejandro

    2009-05-15

    This work reports the Raman scattering characterisation of CuInSe{sub 2} precursors grown by single step electrodeposition and the corresponding layers recrystallised under sulphurising conditions for solar cell devices. The analysis of the spectra measured on the as-grown precursors has allowed identifying the main secondary phases in these layers with elemental Se, Cu-Se phases and chalcopyrite Cu-poor ordered vacancy domains. To deepen in the identification of the Cu-Se phases, these measurements have been correlated with the analysis of binary Cu-Se layers. The experimental data indicate that formation of both Se and Cu-Se phases is likely controlled by the Se content in the layers. For values of stoichiometry below 1.15, excess Cu in the layers is accommodated in a phase with very low Raman efficiency (as Cu{sub 2}Se). Increasing the content of Se leads to an increase in the spectral contribution from both Se and Cu{sub 2-x}Se, being the formation of these phases likely favoured under high excess Se conditions. The characterisation of the corresponding recrystallised layers has allowed analysing the impact of the presence of the secondary phases in the as-grown absorbers on the performance of the final solar cells. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Microtensile bond strength of contemporary adhesives to primary enamel and dentin.

    Science.gov (United States)

    Marquezan, Marcela; da Silveira, Bruno Lopes; Burnett, Luiz Henrique; Rodrigues, Célia Regina Martins Delgado; Kramer, Paulo Floriani

    2008-01-01

    The purpose of this study was to assess bond strength of three self-etching and two total-etch adhesive systems bonded to primary tooth enamel and dentin. Forty extracted primary human molars were selected and abraded in order to create flat buccal enamel and occlusal dentin surfaces. Teeth were assigned to one of the adhesive systems: Adper Scotch Bond Multi Purpose, Adper Single Bond 2, Adper Prompt L-Pop, Clearfil SE Bond and AdheSE. Immediately to adhesive application, a composite resin (Filtek Z250) block was built up. After 3 months of water storage, each sample was sequentially sectioned in order to obtain sticks with a square cross-sectional area of about 0.72 mm2. The specimens were fixed lengthways to a microtensile device and tested using a universal testing machine with a 50-N load cell at a crosshead speed of 0.5 mm/min. Microtensile bond strength values were recorded in MPa and compared by Analysis of Variance and the post hoc Tukey test (a = 0.05). In enamel, Clearfil SE Bond presented the highest values, followed by Adper Single Bond 2, AdheSE and Adper Scotch Bond Multi Purpose, without significant difference. The highest values in dentin were obtained with Adper Scotch Bond Multi Purpose and all other adhesives did not present significant different values from that, except Adper Prompt L-Pop that achieved the lowest bond strength in both substrates. Adper Scotch Bond Multi Purpose and Adper Single Bond 2 presented significantly lower values in enamel than in dentin although all other adhesives presented similar results in both substrates. contemporary adhesive systems present similar behaviors when bonded to primary teeth, with the exception of the one-step self-etching system; and self-etching systems can achieve bond strength values as good in enamel as in dentin of primary teeth.

  11. Fe-Vacancy-Induced Ferromagnetism in Tetragonal FeSe Thin Films

    International Nuclear Information System (INIS)

    Yong-Feng, Li; Gui-Bin, Liu; Li-Jie, Shi; Bang-Gui, Liu

    2009-01-01

    Motivated by recent experiments, we investigate structural, electronic, and magnetic properties of tetragonal FeSe with Fe vacancies using the state-of-the-art first-principles method. We show that Fe vacancies tend to stay in the same one of the two sublattices and thus induce ferromagnetism in the ground-state phase. Our calculated net moment is in good agreement with the experimental data available. Therefore, the ferromagnetism observed in tetragonal FeSe thin films is explained. It could be made controllable soon for spintronic applications

  12. Fe-vacancy and superconductivity in FeSe-based superconductors

    Science.gov (United States)

    Wang, C. H.; Chen, T. K.; Chang, C. C.; Lee, Y. C.; Wang, M. J.; Huang, K. C.; Wu, P. M.; Wu, M. K.

    2018-06-01

    This review summarizes recent advancements in FeSe and related systems. The FeSe and related superconductors are currently receiving considerable attention for the high Tcs observed and for many similar features to the high Tc cuprate superconductors. These similarities suggest that understanding the FeSe based compounds could potentially help our understanding of the cuprates. We shall first review the common features observed in the FeSe-based system. It was found that with a careful control of material synthesizing processes, numerous rich phases have been observed in the FeSe-based system. Detailed studies show that the Fe-vacancy ordered phases found in the FeSe based compounds, which are non-superconducting Mott insulators, are the parent compounds of the superconductors. Superconductivity emerges from the parent phases by disordering the Fe vacancy order, often by a simple annealing treatment. Recent high temperature X-ray diffraction experiments show that the degree of structural distortion associated with the disorder of Fe-vacancy is closely related to volume fraction of the superconductivity observed. These results suggest the strong lattice to spin coupling are important for the occurrence of superconductivity in FeSe based superconductors.

  13. ¿Qué se juega al jugar un juego?

    Directory of Open Access Journals (Sweden)

    Kalejman, Cecilia

    2012-06-01

    Full Text Available En el presente artículo se considera el juego en relación a la niñez. Se indaga acerca del papel que juega el juego en la niñez intentando responder a diversas preguntas, entre ellas la más importante: ¿Qué significa jugar? A lo largo de esta etapa del desarrollo en que comienza a constituirse la subjetividad del individuo el juego constituye, sin dudas, un factor central, una herramienta fundamental en el desarrollo. Juego no es sólo el juego dramático, también consideramos para nuestro análisis aquellas modalidades de juego que se transmiten de generación en generación, juegos de construcción, los dibujos, teniendo en cuenta asimismo los objetos utilizados en los juegos, los contenidos de los mismos, los espacios en los que se desarrollan. Se piensa y se interpreta al juego, como un derecho y como un modo de expresión del niño, se finaliza este desarrollo con una conclusión acera del juego y el espacio que ocupa en la vida cotidiana.

  14. Low temperature magnetic structure of MnSe

    Indian Academy of Sciences (India)

    Abstract. In this paper we report low temperature neutron diffraction studies on MnSe in order to understand the anomalous behaviour of their magnetic and transport prop- erties. Our study indicates that at low temperatures MnSe has two coexisting crystal structures, high temperature NaCl and hexagonal NiAs. NiAs phase ...

  15. Thermoelectric properties of SnSe compound

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Xinhong [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Lu, Pengfei, E-mail: photon@bupt.edu.cn [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Wu, Liyuan; Han, Lihong [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Liu, Gang [School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Song, Yuxin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Wang, Shumin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

    2015-09-15

    Highlights: • The electronic and thermoelectric properties of SnSe bulk material are studied. • The ZT can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. • SnSe is an indirect-band material, and SOC has little effect on the band structure. • The high ZT can be attributed to the intrinsically ultralow thermal conductivity. - Abstract: A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800 K. Our theoretical result agrees well with previous experimental data.

  16. Thermoelectric properties of SnSe compound

    International Nuclear Information System (INIS)

    Guan, Xinhong; Lu, Pengfei; Wu, Liyuan; Han, Lihong; Liu, Gang; Song, Yuxin; Wang, Shumin

    2015-01-01

    Highlights: • The electronic and thermoelectric properties of SnSe bulk material are studied. • The ZT can reach as high as 1.87 along yy and 1.6 along zz direction at 800k. • SnSe is an indirect-band material, and SOC has little effect on the band structure. • The high ZT can be attributed to the intrinsically ultralow thermal conductivity. - Abstract: A first-principles study and Boltzmann transport theory have been performed to evaluate the electronic structure and thermoelectric properties of SnSe compound. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential or temperature within the assumption of the constant relaxation time. The figure of merit ZT is obtained with the use of calculated thermoelectric properties and can reach as high as 1.87 along yy and 1.6 along zz direction at 800 K. Our theoretical result agrees well with previous experimental data

  17. Enamel Bond Strength of New Universal Adhesive Bonding Agents.

    Science.gov (United States)

    McLean, D E; Meyers, E J; Guillory, V L; Vandewalle, K S

    2015-01-01

    Universal bonding agents have been introduced for use as self-etch or etch-and-rinse adhesives depending on the dental substrate and clinician's preference. The purpose of this study was to evaluate the shear bond strength (SBS) of composite to enamel using universal adhesives compared to a self-etch adhesive when applied in self-etch and etch-and-rinse modes over time. Extracted human third molars were used to create 120 enamel specimens. The specimens were ground flat and randomly divided into three groups: two universal adhesives and one self-etch adhesive. Each group was then subdivided, with half the specimens bonded in self-etch mode and half in etch-and-rinse mode. The adhesives were applied as per manufacturers' instructions, and composite was bonded using a standardized mold and cured incrementally. The groups were further divided into two subgroups with 10 specimens each. One subgroup was stored for 24 hours and the second for six months in 37°C distilled water and tested in shear. Failure mode was also determined for each specimen. A three-way analysis of variance (ANOVA) found a significant difference between groups based on bonding agent (p0.05). Clearfil SE in etch-and-rinse and self-etch modes had more mixed fractures than either universal adhesive in either mode. Etching enamel significantly increased the SBS of composite to enamel. Clearfil SE had significantly greater bond strength to enamel than either universal adhesive, which were not significantly different from each other.

  18. In vitro evaluation of casein phosphopeptide-amorphous calcium phosphate effect on the shear bond strength of dental adhesives to enamel.

    Science.gov (United States)

    Shadman, Niloofar; Ebrahimi, Shahram Farzin; Shoul, Maryam Azizi; Sattari, Hasti

    2015-01-01

    Casein phosphopeptide-amorphous calcium phosphate (CPP-ACP) is applied for remineralization of early caries lesions or tooth sensitivity conditions and may affect subsequent resin bonding. This in vitro study investigated the effect of CPP-ACP on the shear bond strength of dental adhesives to enamel. Sixty extracted human molar teeth were selected and randomly divided into three groups and six subgroups. Buccal or lingual surfaces of teeth were prepared to create a flat enamel surface. Adhesives used were Tetric N-Bond, AdheSE and AdheSE One F. In three subgroups, before applying adhesives, enamel surfaces were treated with Tooth Mousse CPP-ACP for one hour, rinsed and stored in 37°C temperature with 100% humidity. This procedure was repeated for 5 days and then adhesives were applied and Tetric N-Ceram composite was adhered to the enamel. This procedure was also fulfilled for the other three subgroups without CPP-ACP treatment. After 24 hour water storage, samples were tested for shear bond strength test in a universal testing machine. Failure modes were determined by stereomicroscope. Data were analyzed by t-test and one-way analysis of variance with P enamel only in Tetric N-Bond (P > 0.05). In non-applied CPP-ACP subgroups, there were statistically significant differences among all subgroups. Tetric N-Bond had the highest and AdheSE One F had the lowest shear bond strength. CPP-ACP application reduces the shear bond strength of AdheSE and AdheSE One F to enamel but not Tetric N-Bond.

  19. Electronic structure of the Zn(O,S)/Cu(In,Ga)Se2 thin-film solar cell interface

    Energy Technology Data Exchange (ETDEWEB)

    Mezher, Michelle [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Garris, Rebekah [National Renewable Energy Laboratory (NREL), Golden CO 80401 USA; Mansfield, Lorelle M. [National Renewable Energy Laboratory (NREL), Golden CO 80401 USA; Horsley, Kimberly [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Weinhardt, Lothar [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Institute for Photon Science and Synchrotron Radiation (IPS), Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen Germany; ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen Germany; Institute for Chemical Technology and Polymer Chemistry (ITCP), Karlsruhe Institute of Technology (KIT), 76128 Karlsruhe Germany; Duncan, Douglas A. [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Blum, Monika [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Rosenberg, Samantha G. [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Bär, Marcus [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Renewable Energy, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, 14109 Berlin Germany; Institut für Physik und Chemie, Brandenburgische Technische Universität Cottbus-Senftenberg, 03046 Cottbus Germany; Ramanathan, Kannan [National Renewable Energy Laboratory (NREL), Golden CO 80401 USA; Heske, Clemens [Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), Las Vegas NV 89154 USA; Institute for Photon Science and Synchrotron Radiation (IPS), Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen Germany; ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen Germany; Institute for Chemical Technology and Polymer Chemistry (ITCP), Karlsruhe Institute of Technology (KIT), 76128 Karlsruhe Germany

    2016-03-10

    The electronic band alignment of the Zn(O,S)/Cu(In,Ga)Se2 interface in high-efficiency thin-film solar cells was derived using X-ray photoelectron spectroscopy, ultra-violet photoelectron spectroscopy, and inverse photoemission spectroscopy. Similar to the CdS/Cu(In,Ga)Se2 system, we find an essentially flat (small-spike) conduction band alignment (here: a conduction band offset of (0.09 +/- 0.20) eV), allowing for largely unimpeded electron transfer and forming a likely basis for the success of high-efficiency Zn(O,S)-based chalcopyrite devices. Furthermore, we find evidence for multiple bonding environments of Zn and O in the Zn(O,S) film, including ZnO, ZnS, Zn(OH)2, and possibly ZnSe.

  20. Epitaxial CdSe-Au nanocrystal heterostructures by thermal annealing.

    Science.gov (United States)

    Figuerola, Albert; van Huis, Marijn; Zanella, Marco; Genovese, Alessandro; Marras, Sergio; Falqui, Andrea; Zandbergen, Henny W; Cingolani, Roberto; Manna, Liberato

    2010-08-11

    The thermal evolution of a collection of heterogeneous CdSe-Au nanosystems (Au-decorated CdSe nanorods, networks, vertical assemblies) prepared by wet-chemical approaches was monitored in situ in the transmission electron microscope. In contrast to interfaces that are formed during kinetically controlled wet chemical synthesis, heating under vacuum conditions results in distinct and well-defined CdSe/Au interfaces, located at the CdSe polar surfaces. The high quality of these interfaces should make the heterostructures more suitable for use in nanoscale electronic devices.