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Sample records for 4center dot2hsub 2o

  1. Topotactic lithium exchange in the precursor catalyst VOHPO[sub 4][center dot]0. 5H[sub 2]O: The crystal structure of LiVOPO[sub 4][center dot]0. 5 H[sub 2]O

    SciTech Connect

    Lozano-Calero, D.; Bruque, S.; Aranda, M.A.G.; Martinez-Lara, M.; Moreno, L. )

    1993-04-01

    The synthesis and properties of a new lithium vanadyl(IV) phosphate, LiVOPO[sub 4][center dot]0.5H[sub 2]O, are reported. The synthesis was carried out by a lithium exchange reaction in VO(HPO[sub 4])[center dot]0.5H[sub 2]O with LiOH at low temperature in a nonaqueous medium. The crystal structure of LiVOPO[sub 4][center dot]0.5H[sub 2]O (space group P[sub 2[sub 1]2[sub 1]2], a = 7.4651(6) [Angstrom], b = 9.4167(8) [Angstrom], c = 6.0762(6) [Angstrom], Z = 4) was refined by the Rietveld method from laboratory X-ray powder diffraction data, giving R[sub wp] = 8.0% and R[sub F] = 6.5%. The structure is made up of layers made of VO[sub 6] dimers which are linked by phosphate groups. The framework of the starting material is maintained but the vanadium coordination sphere is more distorted and the lithium position is deduced from a difference Fourier map. The structural, thermal, and spectroscopic features are compared to those of the closely related H-derivative. 27 refs., 8 figs., 3 tabs.

  2. Neutron and X-ray structural characterization of the hexaaquavanadium(II) compound VSO{sub 4}{center_dot}7H{sub 2}O

    SciTech Connect

    Cotton, F.A.; Falvello, L.R.; Pascual, I.; Tomas, M.; Murillo, C.A. |; Schultz, A.J.

    1994-11-23

    The title compound, for which crystals are more reactive toward oxygen than the chemically similar compound VSO{sub 4}{center_dot}6H{sub 2}O, has been prepared as large single crystals and characterized by both X-ray diffraction at room temperature and neutron diffraction at 11-16 K. VSO{sub 4}{center_dot}7H{sub 2}O crystallizes in the monoclinic space group P2{sub 1}/c, Z = 4, with the following cell dimensions, where in each case the room temperature X-ray value is given first followed by the 11-16 K neutron value: a = 14.130(3), 14.013(2) {angstrom}; b = 6.501(1), 6.481(1) {angstrom}; c = 11.017(2), 10.981(2) {angstrom}; {beta} = 105.64(2), 105.39(1){degrees}; V = 974.5(3), 961.5(3) {angstrom}{sup 3}. The structure was refined to residuals of R = 0.0289 and 0.0766 and quality of fit = 1.047 and 1.427 for X-ray and neutron data, respectively. It consists of two independent centrosymmetric V(H{sub 2}O){sub 6}{sup 2+} ions connected to a sulfate ion and an interstitial water molecule by an extensive network of hydrogen bonds. The room temperature and low-temperature structures are qualitatively identical. Each hydrogen atom is involved in a hydrogen bond. The network of hydrogen bonds is implicated in the stability of VSO{sub 4}{center_dot}7H{sub 2}O in the solid state in dry surroundings.

  3. Intercalation of aliphatic amines into the layered structure of vanadyl(IV) hydrogen phosphate hemihydrate (VOHPO[sub 4][center dot]0. 5H[sub 2]O)

    SciTech Connect

    Guliants, V.V.; Benziger, J.B.; Sundaresan, S. )

    1994-04-01

    The vanadyl(IV) hydrogen phosphate hemihydrate, VOHPO[sub 4][center dot]0.5H[sub 2]O, is a pyrolytic precursor of the vanadyl(IV) pyrophosphate phase, (VO)[sub 2]P[sub 2]O[sub 7], generally believed to be the active phase in the selective oxidation of n-butane into maleic anhydride. Pyrolytic transformation into the pyrophosphate phase occurs with conservation of a morphology of the material. VOHPO[sub 4][center dot]0.5H[sub 2]O is a layered hydrogen phosphate, where -POH groups form interlayer hydrogen bonds with the water molecules shared by two face-linked vanadyl octahedra. The structure of the hemihydrate is similar to that of [alpha]-zirconium hydrogen phosphate ([alpha]-ZrP), where hydrogen bonds are within the same layer and -POH groups are also pointed into the interlayer space. In contrast to [alpha]-ZrP, where extensive data exist, intercalation chemistry of the layered vanadyl(IV) hydrogen phosphate hemihydrate at present is a terra incognita. This paper reports the results of the first systematic study of VOHPO[sub 4][center dot]0.5H[sub 2]O intercalation with aliphatic amines as a new route to novel vanadyl(IV) phosphate phases. N-Alkylamines have been commonly known as excellent intercalation agents for testing the intracrystalline reactivity of layered oxides. Intercalated alkylamines may also facilitate introduction of thermostable guest molecules, or [open quotes]pillars[close quotes], by ion exchange producing microporous materials which can modify catalytic and sorptive properties. 9 refs., 6 figs., 2 tabs.

  4. Thermal properties and radiation damage in NaNH[sub 4]XO[sub 4][center dot]2H[sub 2]O single crystals (XO[sub 4] = SO[sub 4], SeO[sub 4])

    SciTech Connect

    Hilczer, B.; Szczepanska, L. ); Piskunowicz, P. ); Darwish, H.G. )

    1992-07-01

    Differential thermal analysis (DTA) studies of NaNH[sub 4]SO[sub 4][center dot]2H[sub 2]O, NaND[sub 4]SO[sub 4][center dot]2H[sub 2]O, and NANH[sub 4]SeO[sub 4][center dot]2H[sub 2]O single crystals were performed in the temperature range of the ferroelectric-paraelectric phase transition and of the dehydration process. The first-order phase transition at the Curie point was confirmed for NaNH[sub 4]SO[sub 4][center dot]2H[sub 2]O, whereas the transition in the isomorphous NaNH[sub 4]SeO[sub 4][center dot]2H[sub 2]O at the Curie temperature was found to be similar to a continuous (second order) with considerable higher transition enthalpy. Dehydration process of the crystals studied was found to proceed in two stages, with maximum dehydration rates at [approximately]355 and [approximately]400 K. A linear decrease in thermal energy related to the long-range ordering in NaNH[sub 4]SO[sub 4][center dot]2H[sub 2]O crystals was observed with the dose of [gamma]-cobalt-60 irradiation and discussed with respect to the radiation induced decrease in spontaneous polarization. 17 refs., 5 figs., 2 tabs.

  5. Investigation of the Local Geometry and EPR Parameters of V3+ and Cr4+ Centers in Al2O3 Crystals

    NASA Astrophysics Data System (ADS)

    Feng, Wen-Lin; Wu, Xiao-Xuan; Wang, Fang; Zheng, Wen-Chen

    2006-12-01

    The EPR parameters (zero-field splitting D and g factors g||, g⊥) of 3d2 V3+ and Cr4+ centers in Al2O3 crystals are calculated by using the diagonalization of the complete energy matrix for 3d2 ions in trigonal symmetry. The crystalfield parameters are estimated for the superposition model related to the local geometry (or structure) of the impurity centers. From the calculations, the EPR parameters for both impurity centers are explained and the local structures (characterized by the impurity displacement Δz along the C3 axis and the displacement Δx of O2- ions in the oxygen triangle between the impurity and the vacant oxygen octahedron along the x-axis, resulting from the electrostatic repulsive force and the electronic cloud overlap) of these impurity centers are estimated. The results are discussed.

  6. Synthesis and crystal structure of 3-ammoniumphenyl sulfone selenate, 3-aminophenyl sulfone [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S

    SciTech Connect

    Mahroug, A.; Belhouchet, M. Mhiri, T.

    2013-07-15

    The crystal structure of [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] was determined by X-ray diffraction on single crystal. Crystals are orthorhombic, space group Pbca, with cell parameters a = 11.545 (1), b = 8.143 (1), c = 55.783(1)A, V = 5244.2 (8)A{sup 3} and Z = 8. The structure can be described as organic layers built by [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]{sup 2+} cations and [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] molecules, parallel to ab plane, between which the inorganic groups SeO{sub 4}{sup 2-} are inserted. In this atomic arrangement, H-bonds between the different species play an important role in the three-dimensional network cohesion.

  7. Copper uranyl phosphate and arsenate incorporating an organic ligand with a pillared layer structure: [Cu(4,4 Prime -bpy)(UO{sub 2}){sub 0.5}(HPO{sub 4})(H{sub 2}PO{sub 4})]{center_dot}H{sub 2}O and [Cu(4,4 Prime -bpy)(UO{sub 2}){sub 0.5}(HAsO{sub 4})(H{sub 2}AsO{sub 4})]{center_dot}1.5H{sub 2}O

    SciTech Connect

    Wang, Chih-Min; Lii, Kwang-Hwa

    2013-01-15

    Two mixed-metal uranium compounds, [Cu(4,4 Prime -bpy)(UO{sub 2}){sub 0.5}(HPO{sub 4})(H{sub 2}PO{sub 4})]{center_dot}H{sub 2}O (1) and [Cu(4,4 Prime -bpy)(UO{sub 2}){sub 0.5}(HAsO{sub 4})(H{sub 2}AsO{sub 4})]{center_dot}1.5H{sub 2}O (2) have been synthesized under hydrothermal conditions and structurally characterized by single-crystal X-ray diffraction, fluorescence spectroscopy, and magnetic susceptibility. They are the first examples of mixed-metal uranium phosphate and arsenate incorporating an organic ligand. Their structures contain copper uranyl phosphate/arsenate layers which are covalently linked by 4,4 Prime -bpy pillars to form a 3-D framework structure. The fluorescence spectrum of 1 shows the characteristic vibronic structure of the UO{sub 2}{sup 2+} moiety despite the presence of copper(II) ions in its structure. The two compounds are isostructural and crystallize in the monoclinic space group C2/c with a=20.184(4) A, b=8.921(2) A, c=19.095(3) A, {beta}=115.15(1) Degree-Sign , and R{sub 1}=0.0244 for 1, and a=20.184(1) A, b=9.0210(5) A, c=19.714(1) A, {beta}=114.879(1) Degree-Sign , and R{sub 1}=0.0399 for 2. - Graphical abstract.: A new copper uranyl phosphate and the arsenate analog have been presented. The compounds contain copper uranyl phosphate/arsenate layers covalently linked by 4,4 Prime -bipyridine pillars into an open-framework structure.

  8. 4. CENTER COURTYARD, FROM WEST SIDE OF SOUTHEAST PORTION OF ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. CENTER COURTYARD, FROM WEST SIDE OF SOUTHEAST PORTION OF BUILDING, LOOKING WEST. - Oakland Naval Supply Center, Administration Building-Dental Annex-Dispensary, Between E & F Streets, East of Third Street, Oakland, Alameda County, CA

  9. Symmetry-breaking Ta4+ centers in KTaO3

    NASA Astrophysics Data System (ADS)

    Laguta, V. V.; Zaritskii, M. I.; Glinchuk, M. D.; Bykov, I. P.; Rosa, J.; Jastrabík, L.

    1998-07-01

    A study of photoinduced Ta4+ centers in nominally pure KTaO3 single crystals has been carried out by electron-spin resonance. Two of these centers (Ta4+-VO and Ta4+-VO-Me4+) are connected with vacancies of oxygen (VO); a third center is associated with an OH- molecular ion (Ta4+-OH-). This assignment is made on the basis of concentration measurements of the corresponding centers after annealing in argon, oxygen, hydrogen, and H2O vapor atmospheres. It has been shown that the Ta4+ centers are shallow donors; at T>=30 K they are ionized and transformed into ordinary VO and OH- which are assumed to be the main lattice defects before illumination. Their energy levels are determined by the temperature dependence of the relaxation rate of the light-induced nonequilibrium localized electron population. The energy levels of Ta4+-VO and Ta4+-VO-Me4+ centers are situated at 26 and 8 meV below the bottom of the conduction band, respectively. The symmetry of the centers is inverse broken in the sense that the photoelectron is localized near one of two equivalent Ta5+ ions next to an oxygen vacancy or OH-. The role of VO defects and OH- molecules in the nucleation of local polar clusters in nominally pure KTaO3 crystals at low temperatures is discussed.

  10. OVERVIEW, HANGAR No. 3 (FOREGROUND), HANGAR No. 4 (CENTER), AND ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    OVERVIEW, HANGAR No. 3 (FOREGROUND), HANGAR No. 4 (CENTER), AND HANGAR No. 5 (BACKGROUND), FROM AIRCRAFT PARKING APRON, VIEW FACING NORTH - U.S. Marine Corps Base Hawaii, Kaneohe Bay, Hangar No. 4, First Street between A & B Streets, Kailua, Honolulu County, HI

  11. Photoluminescence of a Te4+ center in zinc borate glass.

    PubMed

    Masai, Hirokazu; Yamada, Yasuhiro; Okumura, Shun; Kanemitsu, Yoshihiko; Yoko, Toshinobu

    2013-10-01

    Photoluminescent (PL) properties related to Te(4+) species in zinc borate glasses are examined. Broad emission was observed by the excitation of the PL excitation peak of Te(4+) present at the optical absorption edge. The emission intensity of Te(4+) in 5TeO(2)-50ZnO-45B(2)O(3) glass was thermally quenched in a temperature region over 100 K, suggesting that concentration quenching preferentially occurred. The lifetime of the emission was approximately 2.5 μs, which is characteristic of relaxation from the triplet excitation state of an ns(2)-type center. PMID:24081051

  12. N2O FIELD STUDY

    EPA Science Inventory

    The report gives results of measurements of nitrous oxide (N2O) emissions from coal-fired utility boilers at three electric power generating stations. Six units were tested, two at each site, including sizes ranging from 165 to 700 MW. Several manufacturers and boiler firing type...

  13. N2O and NOy

    NASA Technical Reports Server (NTRS)

    Kawa, S. R.; Jackman, C. H.; Douglass, A. R.; Strahan, S. E.

    2003-01-01

    The principal loss processes for ozone in the stratosphere are either directly or indirectly closely coupled to the abundance and distribution of reactive oxides of nitrogen (NOy). The main source of NOy in the stratosphere is N2O, a trace gas that is changing significantly as a result of anthropogenic forcing. Thus diagnosis of the distributions of N2O, NOy, and their coupling is required to evaluate any chemistry-climate model aspiring to accurately simulate ozone change. In the NASA Assessment of the Effects of High-speed Aircraft in the Stratosphere: 1998 we found that the sensitivity of various models ozone to perturbation did correspond consistently with their background NOy distribution. Coordinated NOy and N2O mixing ratio distributions are available from observations: ER-2 aircraft in the lower stratosphere and ATMOS and balloon profiles to higher altitudes at a subset of latitudes and seasons. Although close comparison to these diagnostics is crucial, unfortunately the distributions are due to a combination of transport and chemical processes, and isolating the source of differences is not always simple. However, in combination with other transport and photochemical diagnostics, comparison with N2O and NOy can be very instructive in evaluation of model processes and performance.

  14. Hydrothermal Transformation of the Calcium Aluminum Oxide Hydrates CaAl2O4 . 10H2O and Ca2Al2O. 8H2O to Ca3Al2(OH)12 Investigated by In Situ Synchrotron X-ray Powder Diffraction

    SciTech Connect

    Jensen,T.; Christensen, A.; Hanson, J.

    2005-01-01

    The hydrothermal transformation of calcium aluminate hydrates were investigated by in situ synchrotron X-ray powder diffraction in the temperature range 25 to 170 C. This technique allowed the study of the detailed reaction mechanism and identification of intermediate phases. The material CaAl{sub 2}O{sub 4}{center_dot}10H{sub 2}O converted to Ca{sub 3}Al{sub 2}(OH){sub 12} and amorphous aluminum hydroxide. Ca{sub 2}Al{sub 2}O{sub 5}{center_dot}8H{sub 2}O transformed via the intermediate phase Ca{sub 4}Al{sub 2}O{sub 7}{center_dot}13H{sub 2}O to Ca{sub 3}Al{sub 2}(OH){sub 12} and gibbsite, Al(OH){sub 3}. The phase Ca{sub 4}Al{sub 2}O{sub 7}{center_dot}19H{sub 2}O reacted via the same intermediate phase to Ca{sub 3}Al{sub 2}(OH){sub 12} and mainly amorphous aluminum hydroxide. The powder pattern of the intermediate phase is reported.

  15. Cr{sup 6+}-containing phases in the system CaO-Al{sub 2}O{sub 3}-CrO{sub 4}{sup 2-}-H{sub 2}O at 23 Degree-Sign C

    SciTech Connect

    Poellmann, Herbert

    2012-01-15

    Synthesis and investigation of lamellar calcium aluminium hydroxy salts was performed to study the incorporation of chromate ions in the interlayer of lamellar calcium aluminium hydroxy salts. Different AFm-phases (calcium aluminate hydrate with alumina, ferric oxide, mono-anion phase) containing chromate were synthesized. These AFm-phases belong to the group of layered double hydroxides (LDHs). 3CaO{center_dot}Al{sub 2}O{sub 3}{center_dot}CaCrO{sub 4}{center_dot}nH{sub 2}O and C{sub 3}A{center_dot}1/2Ca(OH){sub 2}{center_dot}1/2CaCrO{sub 4}{center_dot}12H{sub 2}O were obtained as pure phases and their different distinct interlayer water contents and properties determined. Solid solution of chromate-containing phases and tetracalcium-aluminate-hydrate (TCAH) were studied. The uptake of chromate into TCAH from solutions was proven. Chromate contents in solution decrease to <0.2 mg/l. - Graphical abstract: Chromate can be incorporated in LDH-phases with compositions like: 3CaO{center_dot}Al{sub 2}O{sub 3}{center_dot}1/2CaCrO{sub 4}{center_dot}1/2Ca(OH){sub 2}{center_dot}nH{sub 2}O, 3CaO{center_dot}Al{sub 2}O{sub 3}{center_dot}CaCrO{sub 4}{center_dot}nH{sub 2}O, 3CaO{center_dot}Al{sub 2}O{sub 3}{center_dot}1/6CaCrO{sub 4}.{center_dot}5/6Ca(OH){sub 2}{center_dot}nH{sub 2}O, 3CaO{center_dot}Al{sub 2}O{sub 3}(0-x)CaCrO{sub 4}(1-x) Ca(OH){sub 2}{center_dot}12H{sub 2}O, (02}O{sub 3}{center_dot}CaCrO{sub 4}{center_dot}nH{sub 2}O and C{sub 3}A{center_dot}1/2 Ca(OH){sub 2}{center_dot}1/2 CaCrO{sub 4}{center_dot}12 H{sub 2}O are given. Black-Right-Pointing-Pointer Different hydrates of Ca-Al-hydroxysalts (LDH) with chromate-anions synthesized and characterized. Black-Right-Pointing-Pointer Interlayer exchange reaction of 2OH{sup -} and CrO{sub 4}{sup 2-} investigated. Black-Right-Pointing-Pointer Thermal dehydration and change of lattice parameters are given

  16. The Vaporization of B2O3(l) to B2O3(g) and B2O2(g)

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Myers, Dwight L.

    2011-01-01

    The vaporization of B2O3 in a reducing environment leads to formation of both B2O3(g) and B2O2(g). While formation of B2O3(g) is well understood, many questions about the formation of B2O2(g) remain. Previous studies using B(s) + B2O3(l) have led to inconsistent thermodynamic data. In this study, it was found that after heating, B(s) and B2O3(l) appear to separate and variations in contact area likely led to the inconsistent vapor pressures of B2O2(g). To circumvent this problem, an activity of boron is fixed with a two-phase mixture of FeB and Fe2B. Both second and third law enthalpies of formation were measured for B2O2(g) and B2O3(g). From these the enthalpies of formation at 298.15 K are calculated to be -479.9 +/- 41.5 kJ/mol for B2O2(g) and -833.4 +/- 13.1 kJ/mol for B2O3(g). Ab initio calculations to determine the enthalpies of formation of B2O2(g) and B2O3(g) were conducted using the W1BD composite method and show good agreement with the experimental values.

  17. Cleaning of Liquid N2O4

    NASA Technical Reports Server (NTRS)

    Pfeifer, G. R.

    1986-01-01

    Technique useful in reducing clogging of fluid lines. Metal nitrate impurities precipitated from N2O4 by cooling N2O4 in heat exchanger and passing through hydraulic pump. Precipitate removed by fine membrane filter. Technique developed for cleaning of liquid N2O4 adaptable to cleaning of variety of industrial fluids, including fuels.

  18. Hydrothermal transformation of magadiite into ferrierite in Al 2O 3-Na 2O-ethylenediamine-H 2O system

    NASA Astrophysics Data System (ADS)

    Wang, Yu; Yang, Yang; Cui, Miao; Sun, Jiangbo; Qi, Lin; Ji, Shouhua; Meng, Changgong

    2011-12-01

    This study investigated the transformation of magadiite into ferrierite in Al 2O 3-Na 2O-ethylenediamine (EDA)-H 2O system. The influence of various parameters such as reaction temperature, time, alkalinity, the reactant Na 2O/SiO 2 ratio and EDA/SiO 2 ratio were examined. Thermal and acid stability of the synthetic ferrierite are presented. Highly crystallized and pure ferrierite could be obtained from dispersion with the molar composition: 0.01 Na 2O: 0.005 Al 2O 3: SiO 2: 30 H 2O: 20 EDA by heating at 433 K for 48 h. The structure of ferrierite was destroyed when the temperature rose above 873 K and the framework of the sample, stirred in 5 mol/L HCl for 3 h, is consistent with the untreated ferrierite.

  19. Formation and annihilation of E4 centers in ZnO: Influence of hydrogen

    NASA Astrophysics Data System (ADS)

    Hupfer, A.; Bhoodoo, C.; Vines, L.; Svensson, B. G.

    2016-05-01

    Hydrothermally grown n-type ZnO bulk samples have been implanted with protons and deuterium ions to fluences in the range of 8 × 1010 to 8 × 1011 cm-2. The implantations were performed at the temperature of 285 K, and the samples were then analyzed in-situ by deep level transient spectroscopy (DLTS) using a setup connected to the implanter beam line. The concentration of the so-called E4 center, having an apparent energy level at ˜0.57 eV below the conduction edge, is found to increase linearly with the ion fluence and the generation rate is proportional to the elastic energy deposition, as expected for a primary defect. Isothermal annealing of the E4 center at temperatures between 290 and 315 K reveals first-order kinetics with the activation energy of ˜0.6 eV. The annealing rate is strongly enhanced with increasing hydrogen fluence, and a model invoking migration of interstitial hydrogen and subsequent reaction with E4 exhibits close agreement with the experimental data. The rate of electron capture by E4 during the DLTS filling pulse depends on temperature, and it displays a thermal barrier of ˜0.15 eV. Most of these experimental results for E4 conform to the theoretically predicted properties of the oxygen vacancy (VO) and a tentative assignment of E4 to VO is made, corroborating previous suggestions in the literature. In particular, the 0.57 eV level is ascribed to the double donor state of VO.

  20. Thermodynamics of Cr2O3, FeCr2O4, ZnCr2O4 and CoCr2O4

    SciTech Connect

    Ziemniak SE, Anovitz LM, Castelli RA, Porter WD

    2007-01-09

    High temperature heat capacity measurements were obtained for Cr{sub 2}O{sub 3}, FeCr{sub 2}O{sub 4}, ZnCr{sub 2}O{sub 4} and CoCr{sub 2}O{sub 4} using a differential scanning calorimeter. These data were combined with previously-available, overlapping heat capacity data at temperatures up to 400 K and fitted to 5-parameter Maier-Kelley C{sub p}(T) equations. Expressions for molar entropy were then derived by suitable integration of the Maier-Kelley equations in combination with recent S{sup o}(298) evaluations. Finally, a database of high temperature equilibrium measurements on the formation of these oxides was constructed and critically evaluated. Gibbs energies of Cr{sub 2}O{sub 3}, FeCr{sub 2}O{sub 4} and CoCr{sub 2}O{sub 4} were referenced by averaging the most reliable results at reference temperatures of 1100, 1400 and 1373 K, respectively, while Gibbs energies for ZnCr{sub 2}O{sub 4} were referenced to the results of Jacob [Thermochim. Acta 15 (1976) 79-87] at 1100 K. Thermodynamic extrapolations from the high temperature reference points to 298.15 K by application of the heat capacity correlations gave {Delta}{sub f}G{sup o}(298) = -1049.96, -1339.40, -1428.35 and -1326.75 kJ mol{sup -1} for Cr{sub 2}O{sub 3}, FeCr{sub 2}O{sub 4}, ZnCr{sub 2}O{sub 4} and CoCr{sub 2}O{sub 4}, respectively.

  1. H2O2: a dynamic neuromodulator.

    PubMed

    Rice, Margaret E

    2011-08-01

    Increasing evidence implicates hydrogen peroxide (H(2)O(2)) as an intracellular and intercellular signaling molecule that can influence processes from embryonic development to cell death. Most research has focused on relatively slow signaling, on the order of minutes to days, via second messenger cascades. However, H(2)O(2) can also mediate subsecond signaling via ion channel activation. This rapid signaling has been examined most thoroughly in the nigrostriatal dopamine (DA) pathway, which plays a key role in facilitating movement mediated by the basal ganglia. In DA neurons of the substantia nigra, endogenously generated H(2)O(2) activates ATP-sensitive K(+) (K-ATP) channels that inhibit DA neuron firing. In the striatum, H(2)O(2) generated downstream from glutamatergic AMPA receptor activation in medium spiny neurons acts as a diffusible messenger that inhibits axonal DA release, also via K-ATP channels. The source of dynamically generated H(2)O(2) is mitochondrial respiration; thus, H(2)O(2) provides a novel link between activity and metabolism via K-ATP channels. Additional targets of H(2)O(2) include transient receptor potential (TRP) channels. In contrast to the inhibitory effect of H(2)O(2) acting via K-ATP channels, TRP channel activation is excitatory. This review describes emerging roles of H(2)O(2) as a signaling agent in the nigrostriatal pathway and basal ganglia neurons. PMID:21666063

  2. Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

    NASA Technical Reports Server (NTRS)

    Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

    2013-01-01

    We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

  3. Excellent ethanol sensing properties based on Er2O3-Fe2O3 nanotubes

    NASA Astrophysics Data System (ADS)

    Liu, Chang-Bai; He, Ying; Wang, Sheng-Lei

    2015-11-01

    In this work, pure α-Fe2O3 and Er2O3-Fe2O3 nanotubes were synthesized by a simple single-capillary electrospinning technology followed by calcination treatment. The morphologies and crystal structures of the as-prepared samples were characterized by scanning electron microscopy and x-ray diffraction, respectively. The gas-sensing properties of the as-prepared samples have been researched, and the result shows that the Er2O3-Fe2O3 nanotubes exhibit much better sensitivity to ethanol. The response value of Er2O3-Fe2O3 nanotubes to 10 ppm ethanol is 21 at the operating temperature 240°, which is 14 times larger than that of pure α-Fe2O3 nanotubes (response value is 1.5). The ethanol sensing properties of α-Fe2O3 nanotubes are remarkably enhanced by doping Er, and the lowest detection limit of Er2O3-Fe2O3 nanotubes is 300 ppb, to which the response value is about 2. The response and recovery times are about 4 s and 70 s to 10 ppm ethanol, respectively. In addition, the Er2O3-Fe2O3 nanotubes possess good selectivity and long-term stability. Project supported by Jilin Provincial Science and Technology Department, China (Grant No. 20140204027GX) and the Challenge Cup for College Students, China (Grant No. 450060497053).

  4. Cl2O4 in the Stratosphere

    ERIC Educational Resources Information Center

    Whisnant, David M.; Lever, Lisa; Howe, Jerry

    2005-01-01

    A comprehensive project in which the students use computational chemistry to investigate a larger chlorine oxide, Cl2O4 is described. The students start the project by reading a scenario and then follow a series of hyperlinks to develop, along with their colleagues, a better understanding of the implications of the presence of Cl2O4 in the…

  5. Phase equilibria in the oxide system Nd 2O 3-K 2O-P 2O 5

    NASA Astrophysics Data System (ADS)

    Szczygieł, Irena; Znamierowska, Teresa; Mizer, Dagmara

    2010-07-01

    A phase equilibria diagram of the partial system NdPO 4-K 3PO 4-KPO 3 has been developed as part of the research aimed at determining the phase equilibrium relationships in the oxide system Nd 2O 3-K 2O-P 2O 5. The investigations were conducted using thermoanalytical techniques, X-ray powder diffraction analysis and reflected-light microscopy. Three isopleths existing between: K 3Nd(PO 4) 2-K 4P 2O 7, NdPO 4-K 5P 3O 10 and NdPO 4-K 4P 2O 7 have been identified in the partial NdPO 4-K 3PO 4-KPO 3 system. Previously unknown potassium-neodymium phosphate "K 4Nd 2P 4O 15" has been discovered in the latter isopleth section. This phosphate exists in the solid phase up to a temperature of 890 °C at which it decomposes into the parent phosphates NdPO 4 and K 4P 2O 7. Four invariant points: two quasi-ternary eutectics, E 1 (1057 °C) and E 2 (580 °C) and two quasi-ternary peritectics, P 1 (1078 °C) and P 2 (610 °C), occur in the NdPO 4-K 3PO 4-KPO 3 region.

  6. Plasma etching behavior of Y2O3 ceramics: Comparative study with Al2O3

    NASA Astrophysics Data System (ADS)

    Cao, Yu-Chao; Zhao, Lei; Luo, Jin; Wang, Ke; Zhang, Bo-Ping; Yokota, Hiroki; Ito, Yoshiyasu; Li, Jing-Feng

    2016-03-01

    The plasma etching behavior of Y2O3 coating was investigated and compared with that of Al2O3 coating under various conditions, including chemical etching, mixing etching and physical etching. The etching rate of Al2O3 coating declined with decreasing CF4 content under mixing etching, while that of Y2O3 coating first increased and then decreased. In addition, the Y2O3 coating demonstrated higher erosion-resistance than Al2O3 coating after exposing to fluorocarbon plasma. X-ray photoelectron spectroscopy (XPS) analysis confirmed the formations of YF3 and AlF3 on the Y2O3 and Al2O3 coatings, respectively, which acted as the protective layer to prevent the surface from further erosion with fluorocarbon plasma. It was revealed that the etching behavior of Y2O3 depended not only on the surface fluorination but also on the removal of fluoride layer. To analyze the effect of porosity, Y2O3 bulk samples with high density were prepared by spark plasma sintering, and they demonstrated higher erosion-resistances compared with Y2O3 coating.

  7. Strong white light in P2O5-Li2O-Yb2O3-Sb2O3 glass doped with Pr3+ion

    NASA Astrophysics Data System (ADS)

    Ming, Chengguo; Han, Yingdong; Song, Feng; Ren, Xiaobin; An, Liqun

    2013-01-01

    P2O5-Li2O-Yb2O3-Sb2O3 glasses doped with Pr3+ ion had been prepared to explore white-light-emitting materials. The photoluminescence spectra of the glasses were measured under 270 nm excitation. The emission color of the glass doped with 2 mol% Pr3+ ion was white to the naked eye, and the CIE coordinates (0.336, 0.319) of the sample were close to the standard equal energy white-light illumination (x=0.333, y=0.333). The present working mechanism of the commercial white-LEDs is that a yellow phosphor is excited by a blue LED chip. The emission characters are restricted by the intensity of the blue light and the thickness of the phosphor. However, the luminescent characters of our materials are not effected by the pumping light. Thus, our materials will be helpful in developing white-light-emitting materials.

  8. Investigation of luminescence and laser transition of Dy3+ in Li2O-Gd2O3-Bi2O3-B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Zaman, F.; Kaewkhao, J.; Srisittipokakun, N.; Wantana, N.; Kim, H. J.; Rooh, G.

    2016-05-01

    The aim of this study is to develop Li2O-Gd2O3-Bi2O3-B2O3 glass doped with different concentration of Dy3+ ions by melt quenching technique for different applications in photonics and laser devices. From the experimental oscillator strength (fexp) of the absorption spectra the JO intensity parameters (Ω λ = 2, 4, 6) have been calculated, and by using these JO intensity parameters various radiative parameters were calculated. By using JO theory the radiative transition probability (AR), radiative lifetime (τR) and branching ratio (βR) for Dy3+ ion have been found. A decrease in lifetimes of the prepared glass by increasing concentration of Dy3+ is because of the energy transfer through cross relaxation and resonant energy transfer channels in the present glass matrix. Using experimental and calculated lifetimes, the quantum efficiency (η) and non-radiative relaxation rates (WNR) of 4F9/2 excited state have been calculated. From emission spectra, effective bandwidths (Δλeff) and emission stimulated emission cross section σ (λp) were found for 4F9/2 → 6HJ (J = 15/2, 13/2, 11/2 and 9/2). Chromaticity results revealed that the CCT values of the LGBiBDy glass samples are in between to those of day light and commercial white light LED sources. Further investigations are under way for the optimization of dopant concentration in the Li2O-Gd2O3-Bi2O3-B2O3 glass.

  9. V2O5 nanofibre sheet actuators

    NASA Astrophysics Data System (ADS)

    Gu, Gang; Schmid, Michael; Chiu, Po-Wen; Minett, Andrew; Fraysse, Jerôme; Kim, Gyu-Tae; Roth, Siegmar; Kozlov, Mikhail; Muñoz, Edgar; Baughman, Ray H.

    2003-05-01

    Vanadium oxides, such as V2O5, are promising for lithium-ion batteries, catalysis, electrochromic devices and sensors. Vanadium oxides were proposed more than a decade ago for another redox-dependent application: the direct conversion of electrical energy to mechanical energy in actuators (artificial muscles). Although related conducting polymer and carbon nanotube actuators have been demonstrated, electromechanical actuators based on vanadium oxides have not be realized. V2O5 nanofibres and nanotubes provide the potential advantages of low-cost synthesis by sol-gel routes and high charging capacity and long cycle life. Here, we demonstrate electromechanical actuation for obtained high modulus V2O5 sheets comprising entangled V2O5 nanofibres. The high surface area of these V2O5 sheets facilitates electrochemical charge injection and intercalation that causes the electromechanical actuation. We show that the V2O5 sheets provide high Young's modulus, high actuator-generated stress, and high actuator stroke at low applied voltage.

  10. Excellent performance of gas sensor based on In2O3-Fe2O3 nanotubes

    NASA Astrophysics Data System (ADS)

    Li, Liu; Shouchun, Li; Xin, Guo; Yue, He; Lianyuan, Wang

    2016-01-01

    In2O3-Fe2O3 nanotubes are synthesized by an electrospinning method. The as-synthesized materials are characterized by scanning electron microscope and X-ray powder diffraction. The gas sensing results show that In2O3-Fe2O3 nanotubes exhibit excellent sensing properties to acetone and formaldehyde at different operating temperatures. The responses of gas sensors based on In2O3-Fe2O3 nanotubes to 100 ppm acetone and 100 ppm formaldehyde are 25 (240 °C) and 15 (260 °C), and the response/recovery times are 3/7 s and 4/7 s, respectively. The responses of In2O3-Fe2O3 nanotubes to 1 ppm acetone (240 °C) and formaldehyde (260 °C) are 3.5 and 1.8, respectively. Moreover, the gas sensor based on In2O3-Fe2O3 nanotubes also possesses an excellent selectivity to acetone and formaldehyde. Project supported by the Jilin Provincial Science and Technology Department (No. 20140204027GX).

  11. Metastability in the MgAl2O4-Al2O3 System

    DOE PAGESBeta

    Wilkerson, Kelley R.; Smith, Jeffrey D.; Hemrick, James G.

    2014-07-22

    Aluminum oxide must take a spinel form ( γ-Al2O3) at elevated temperatures in order for extensive solid solution to form between MgAl2O4 and α-Al2O3. The solvus line between MgAl2O4 and Al2O3 has been defined at 79.6 wt% Al2O3 at 1500°C, 83.0 wt% Al2O3 at 1600°C, and 86.5 wt% Al2O3 at 1700°C. A metastable region has been defined at temperatures up to 1700°C which could have significant implications for material processing and properties. Additionally, initial processing could have major implications on final chemistry. The spinel solid solution region has been extended to form an infinite solid solution with Al2O3 at elevatedmore » temperatures. A minimum in melting at 1975°C and a chemistry of 96 wt% Al2O3 rather than a eutectic is present, resulting in no eutectic crystal formation during solidification.« less

  12. Bacterial Ice Nucleation in Monodisperse D2O and H2O-in-Oil Emulsions.

    PubMed

    Weng, Lindong; Tessier, Shannon N; Smith, Kyle; Edd, Jon F; Stott, Shannon L; Toner, Mehmet

    2016-09-13

    Ice nucleation is of fundamental significance in many areas, including atmospheric science, food technology, and cryobiology. In this study, we investigated the ice-nucleation characteristics of picoliter-sized drops consisting of different D2O and H2O mixtures with and without the ice-nucleating bacteria Pseudomonas syringae. We also studied the effects of commonly used cryoprotectants such as ethylene glycol, propylene glycol, and trehalose on the nucleation characteristics of D2O and H2O mixtures. The results show that the median freezing temperature of the suspension containing 1 mg/mL of a lyophilized preparation of P. syringae is as high as -4.6 °C for 100% D2O, compared to -8.9 °C for 100% H2O. As the D2O concentration increases every 25% (v/v), the profile of the ice-nucleation kinetics of D2O + H2O mixtures containing 1 mg/mL Snomax shifts by about 1 °C, suggesting an ideal mixing behavior of D2O and H2O. Furthermore, all of the cryoprotectants investigated in this study are found to depress the freezing phenomenon. Both the homogeneous and heterogeneous freezing temperatures of these aqueous solutions depend on the water activity and are independent of the nature of the solute. These findings enrich our fundamental knowledge of D2O-related ice nucleation and suggest that the combination of D2O and ice-nucleating agents could be a potential self-ice-nucleating formulation. The implications of self-nucleation include a higher, precisely controlled ice seeding temperature for slow freezing that would significantly improve the viability of many ice-assisted cryopreservation protocols. PMID:27495973

  13. Thermal and fragility studies on microwave synthesized K2O-B2O3-V2O5 glasses

    NASA Astrophysics Data System (ADS)

    Harikamalasree, Reddy, M. Sudhakara; Viswanatha, R.; Reddy, C. Narayana

    2016-05-01

    Glasses with composition xK2O-60B2O3-(40-x) V2O5 (15 ≤ x ≤ 39 mol %) was prepared by an energy efficient microwave method. The heat capacity change (ΔCp) at glass transition (Tg), width of glass transition (ΔTg), heat capacities in the glassy (Cpg) and liquid (Cpl) state for the investigated glasses were extracted from Modulated Differential Scanning Calorimetry (MDSC) thermograms. The width of glass transition is less than 30°C, indicating that these glasses belongs to fragile category. Fragility functions [NBO]/(Vm3Tg) and (ΔCp/Cpl)increases with increasing modifier oxide concentration. Increase in fragility is attributed to the increasing coordination of boron. Further, addition of K2O creates NBOs and the flow mechanism involves bond switching between BOs and NBOs. Physical properties exhibit compositional dependence and these properties increase with increasing K2O concentration. The observed variations are qualitatively analyzed.

  14. Thermal Properties in the MgAl2O4-Al2O3 System

    SciTech Connect

    Wilkerson, Dr. Kelley R.; Smith, Jeffrey D; Hemrick, James Gordon

    2013-01-01

    Compositional effects on the thermal diffusivity in the MgAl2O4-Al2O3 system were studied. The lowest thermal diffusivity, 0.0258 +/-5% cm/s, was measured between 79.8 and 83.9 wt% Al2O3 quenched from various temperatures between 1500 and 1700C. All of the chemistries in this range extend past the solvus, but still form a singe super-saturated spinel solid solution, regardless of quenching tempeature. A super-saturated metastable solid solution region was observed at 1500, 1600, and 1700C extending to 83.9, 85.2, and 87.1 wt% Al2O3, respectively. Beyond 83.9% Al2O3 a significant increase in thermal diffusivity, 11.7%, was observed and its attributed to precipiation of Al2O3 through spinodal decomposition.

  15. Glass transition temperature and conductivity in Li2O and Na2O doped borophosphate glasses

    NASA Astrophysics Data System (ADS)

    Ashwajeet, J. S.; Sankarappa, T.; Ramanna, R.; Sujatha, T.; Awasthi, A. M.

    2015-08-01

    Two alkali doped Borophosphate glasses in the composition, (B2O3)0.2. (P2O5)0.3. (Na2O)(0.5-x). (Li2O)x, where x = 0.05 to 0.50 were prepared by standard melt quenching method at 1200K. Non-crystalline nature was confirmed by XRD studies. Room temperature density was measured by Archimedes principle. DC conductivity in the temperature range from 300K to 575K has been measured. Samples were DSC studied in the temperature range from 423K to 673K and glass transition temperature was determined. Glass transition temperature passed through minima for Li2O con.2centration between 0.25 and 0.30 mole fractions. Activation energy of conduction has been determined by analyzing temperature variation of conductivity determining Arrhenius law. Conductivity passed through minimum and activation passed through maximum for Li2O content from 0.25 to 0.30 mole fractions. Glass transition temperature passed through minimum for the same range of Li2O content. These results revealed mixed alkali effect taking place in these glasses. It is for the first time borophosphate glasses doped with Li2O and Na2O have been studied for density and dc conductivity and, the mixed alkali effect (MAE) has been observed.

  16. Cu2O nanoparticles synthesis by microplasma

    PubMed Central

    Du, ChangMing; Xiao, MuDan

    2014-01-01

    A simple microplasma method was used to synthesize cuprous oxide (Cu2O) nanoparticles in NaCl–NaOH–NaNO3 electrolytic system. Microplasma was successfully used as the cathode and copper plate was used as the anode. The Cu2O products are characterized by X–ray powder diffraction (XRD), field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). The results show that the morphology of Cu2O nanocrystals obtained by this technology is mainly dependent on the electrolytic media, stirring, current density and reaction temperature. The uniform and monodisperse sphere Cu2O nanoparticles with the size about 400 ~ 600 nm can be easily obtained in H2O–ethylene glycol mix–solvent (volume ratio 1:1) and appropriate current density with stirring at room temperature. In addition, the possible mechanism has been reported in the article. And the average energy consumed in producing 1 g Cu2O nanoparticles is 180 kJ. For the flexibility and effectiveness of this microplasma technology, it will have broad application prospects in the realm of nanoscience, energy and environment. PMID:25475085

  17. Dependence of electrostatic potential distribution of Al2O3/Ge structure on Al2O3 thickness

    NASA Astrophysics Data System (ADS)

    Wang, Xiaolei; Xiang, Jinjuan; Wang, Wenwu; Zhao, Chao; Zhang, Jing

    2016-09-01

    Electrostatic potential distribution of Al2O3/Ge structure is investigated vs. Al2O3 thickness by X-ray photoelectron spectroscopy (XPS). The electrostatic potential distribution is found to be Al2O3 thickness dependent. This interesting phenomenon is attributed to the appearance of gap states on Al2O3 surface (GSAl2O3) and its higher charge neutrality level (CNL) compared with the CNL of gap states at Al2O3/Ge interface (GSAl2O3/Ge), leading to electron transfer from GSAl2O3 to GSAl2O3/Ge. In the case of thicker Al2O3, fewer electrons transfer from GSAl2O3 to GSAl2O3/Ge, resulting in a larger potential drop across Al2O3 and XPS results.

  18. Moessbauer Effect Study of Bi2O3. Na2O. B2O3. Fe2O3 Glass System

    SciTech Connect

    Salah, S.H.; Kashif, I.; Salem, S.M.; Mostafa, A.G.; El-Manakhly, K.A.

    2005-04-26

    Sodium-tetra-borate host glass containing both bismuth and iron cations were prepared obeying the composition (Na2B4O7)0.75 (Fe2O3)0.25-x (Bi2O3)x [where x = 0.0, 0.05, 0.10, 0.15, 0.20, and 0.25 mol.%]. X-ray diffraction indicated that all samples were in a homogeneous glassy phase. Moessbauer effect results showed that all iron ions appeared as Fe3+ ions occupying tetrahedral coordination state. The covalency of the Fe-O bond increased as bismuth oxide was gradually increased. IR measurements indicated the presence of some non-bridging oxygens and confirmed that iron ions occupy the tetrahedral coordination state. It was found also that, as Bi2O3 was gradually increased both magnetic susceptibility and specific volume decreased, while both density and molar volume increased.

  19. Isotopic separation of D.sub.2 O from H.sub.2 O using ruthenium adsorbent

    DOEpatents

    Thiel, Patricia A.

    1990-04-10

    A method of enrichment of D.sub.2 O in solutions of D.sub.2 O in H.sub.2 O by contacting said solutions in the steam phase with hexagonal crystalline to produce enriched D.sub.2 O. The passages may be repeated to achieve a desired amount of D.sub.2 O.

  20. Ion transport studies on Li2O-PbO-B2O3-P2O5 glass system

    NASA Astrophysics Data System (ADS)

    Muralidhara, R. S.; Anavekar, R. V.

    2009-07-01

    Electrical conductivity of Li+ ion conducting borophosphate glass system with the general formula xLi2O -10PbO-(90-x) [55B2O3 + 45 P2O5] where x=20, 25, 30 and 35 has been carried out both as a function of temperature and frequency in the temperature range 303K to 503K and over frequencies 20 Hz to 12 MHz. The dc conductivities show Arrhenius behaviour while exhibiting composition dependence. Edc estimated from Arrhenius plots varies from 0.82 eV 0.88 eV. The ac conductivity behaviour has been analyzed using a single power law. The exponent `s' obtained from the power law fits is found to have values ranging from 0.45 to 0.84.in these glasses and shows moderate temperature dependence The stretched exponent β also is seen to vary slightly with temperature. Scaling behaviour also has been carried out using the reduced plots of conductivity and frequency. The time-temperature superposition of data points is found to be satisfactory indicating that the ion transport mechanism remains the same in the entire range of temperatures and compositions studied. The results have been explained considering the borophosphate network and the role of Li2O as a glass modifier.

  1. EPR and ab initio calculation study on the EI4 center in 4H- and 6H-SiC

    SciTech Connect

    Carlsson, P.; Son, N. T.; Janzen, E.; Gali, A.; Isoya, J.; Morishita, N.; Ohshima, T.; Magnusson, B.

    2010-12-15

    We present results from electron paramagnetic resonance (EPR) studies of the EI4 EPR center in 4H- and 6H-SiC. The EPR signal of the EI4 center was found to be drastically enhanced in electron-irradiated high-purity semi-insulating materials after annealing at 700-750 deg. C. Strong EPR signals of the EI4 center with minimal interferences from other radiation-induced defects in irradiated high-purity semi-insulating materials allowed our more detailed study of the hyperfine (hf) structures. An additional large-splitting {sup 29}Si hf structure and {sup 13}C hf lines of the EI4 defect were observed. Comparing the data on the hf interactions and the annealing behavior obtained from EPR experiments and from ab initio supercell calculations of different carbon-vacancy-related complexes, we suggest a complex between a carbon vacancy-carbon antisite and a carbon vacancy at the third-neighbor site of the antisite in the neutral charge state, (V{sub C}-C{sub Si}V{sub C}){sup 0}, as a new defect model for the EI4 center.

  2. The Successive H2O Binding Energies for Fe(H2O)n(+)

    NASA Technical Reports Server (NTRS)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

    1994-01-01

    The binding energy, computed using density functional theory (DFT), are in good agreement with experiment. The bonding is electrostatic (charge-dipole) in origin for all systems. The structures are therefore determined mostly by metal-ligand and ligand-ligand repulsion. The computed structure for FeH2O(+) is C(2v) where sp hybridization is important in reducing the Fe-H2O repulsion. Fe(H2O)2(+) has D2d symmetry where sdo hybridization is the primary factor leading to the linear O-Fe-O geometry. The bonding in Fe(H2O)3(+) and Fe(H2O)4(+) are very complex because ligand-ligand and metal-ligand repulsion, both for the in-plane and out-of-plane water lone-pair orbitals, are important.

  3. Thermodynamic Assessment of the Y2o3-yb2o3-zro2 System

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan

    2002-01-01

    Yttria-zirconia (Y2O3-ZrO2) is the most widely used of the rare earth oxide-zirconia systems. There are numerous experimental studies of the phase boundaries in this system. In this paper, we assess these data and derive parameters for the solution models in this system. There is current interest in other rare earth oxide-zirconia systems as well as systems with several rare earth oxides and zirconia, which may offer improved properties over the Y2O3-ZrO2 system. For this reason, we also assess the ytterbia-zirconia (Yb2O3-ZrO2) and Y2O3-Yb2O3-ZrO2 system.

  4. The adsorption of water on Cu2O and Al2O3 thin films

    SciTech Connect

    Deng, Xingyi; Herranz, Tirma; Weis, Christoph; Bluhm, Hendrik; Salmeron, Miquel

    2008-06-27

    The initial stages of water condensation, approximately 6 molecular layers, on two oxide surfaces, Cu{sub 2}O and Al{sub 2}O{sub 3}, have been investigated by using ambient pressure X-ray photoelectron spectroscopy at relative humidity values (RH) from 0 to >90%. Water adsorbs first dissociatively on oxygen vacancies producing adsorbed hydroxyl groups in a stoichiometric reaction: O{sub lattic} + vacancies + H{sub 2}O = 2OH. The reaction is completed at {approx}1% RH and is followed by adsorption of molecular water. The thickness of the water film grows with increasing RH. The first monolayer is completed at {approx}15% RH on both oxides and is followed by a second layer at 35-40% RH. At 90% RH, about 6 layers of H{sub 2}O film have been formed on Al{sub 2}O{sub 3}.

  5. EPA H2O User Manual

    EPA Science Inventory

    EPA H2O is a software tool designed to support research being conducted in the Tampa Bay watershed to provide information, data, and approaches and guidance that communities can use to examine alternatives when making strategic decisions to support a prosperous and environmentall...

  6. EPA H2O Software Tool

    EPA Science Inventory

    EPA H2O allows user to: Understand the significance of EGS in Tampa Bay watershed; visually analyze spatial distribution of the EGS in Tampa Bay watershed; obtain map and summary statistics of EGS values in Tampa Bay watershed; analyze and compare potential impacts of development...

  7. Isotopomer mapping approach to determine N_{2}O production pathways and N_{2}O reduction

    NASA Astrophysics Data System (ADS)

    Lewicka-Szczebak, Dominika; Well, Reinhard; Cardenas, Laura; Bol, Roland

    2016-04-01

    Stable isotopomer analyses of soil-emitted N2O (δ15N, δ18Oand SP = 15N site preference within the linear N2O molecule) may help to distinguish N2O production pathways and to quantify N2O reduction to N2. Different N2O forming processes are characterised by distinct isotopic characteristics. Bacterial denitrification shows significantly lower SP and δ18Ovalues when compared to fungal denitrification and nitrification processes. But SP and δ18Ovalues are also altered during N2O reduction to N2, when the residual N2O is enriched in 18Oand centrally located 15N, resulting in increased δ18Oand SP values. Hence, the interpretation of these isotope characteristics is not straightforward, because higher δ18Oand SP values may be due to admixture of N2O from fungal denitrification or nitrification, or due to N2O reduction to N2. One of these processes, either admixture or reduction, can be quite well quantified if the other one is determined with independent methods. But usually both processes are unknown and the ability to estimate both of them simultaneously would be very beneficial. Here we present an attempt to determine both the admixture and the reduction simultaneously using the isotopomer mapping, i.e. the relation between δ18Oand SP. The measured sample points are typically situated between the two lines: reduction line with a typical slope of about 0.35 and mixing line with a higher slope of about 0.8. Combining the reduction and the mixing vector allows for the determination of both processes based on the location of the sample point between the lines. We tested this new approach for laboratory incubation studies, where a reference method for N2O reduction quantification was applied, i.e. 15N gas flux method or incubations in He atmosphere. This allowed us to check how well the calculated amounts for N2O reduction agree with the results provided by the reference method. The general trend was quite well reflected in our calculated results, however, quite

  8. Reaction of N2O5 with H2O on carbonaceous surfaces

    NASA Technical Reports Server (NTRS)

    Brouwer, L.; Rossi, M. J.; Golden, D. M.

    1986-01-01

    The heterogeneous reaction of N2O5 with commercially available ground charcoal in the absence of H2O revealed a physisorption process (gamma = 0.003), together with a redox reaction generating mostly NO. Slow HNO3 formation was the result of the interaction of N2O5 with H2O that was still adsorbed after prolonged pumping at 0.0001 torr. In the presence of H2O, the same processes with gamma = 0.005 are observed. The redox reaction dominates in the early stages of the reaction, whereas the hydrolysis gains importance later at the expense of the redox reaction. The rate law for HNO3 generation was found to be d(HNO3)/dt = k(bi)(H2O)(N2O5) with k(bi), the effective bimolecular rate constants, for 10 mg of carbon being (1.6 + or - 0.3) x 10 to the -13th cu cm/s.

  9. Freezing D2O clay gels.

    PubMed

    Letellier, M

    1998-01-01

    To obtain the T1 surface value in smectites/D2O diluted suspensions or gels, as was obtained on a monolayer deuterated clay, we freeze them. The broad Pake's doublets similar to ice doublets and with the same T1 show that we can separate frozen from unfrozen D2O. The latter exhibits a narrower line and a single T1 and is attributed to the liquid surface water layer in rapid exchange with the nearby supercooled water, the quantity of which diminishes with the lowering of the temperature depending on the gel porosity. It is possible to measure the supercooled water quantity and to correct the T1 measured values to extract the T1 surface. The value extrapolated at room temperature allows the complete clay surface area measurement. The example of a montmorillonite is given and a comparison with laponite is made. PMID:9803898

  10. H2O Outgassing from Silicones

    SciTech Connect

    Dinh, L N; Maxwell, R S; Schildbach, M A; Balazs, B; McLean II, W

    2004-11-09

    In this fiscal year, we have tested the H{sub 2}O outgassing model for TR55 against independent core tests performed at different temperatures by our collaborators at Y12. At higher temperature ({approx} 71 C), the model properly predicts moisture outgassing from TR55 over the entire experiment. At lower temperature ({approx} 42.5 C), the model correctly predicts long-term moisture outgassing. However, in short-term limit, a better fit with core tests might be expected when the diffusion effect of H{sub 2}O through the silicone matrix is included into the model in the near future. A lookup table for the moisture content as well as moisture outgassing kinetics for M9787 which have previously been heated to 460K for one day and then exposed to relevant low levels of moisture is also now available as a reference for engineers/technicians in the fields.

  11. DREAM: An R2O Success Story?

    NASA Astrophysics Data System (ADS)

    Reeves, G. D.; Henderson, M. G.; Koller, J.; Chen, Y.; Friedel, R. H.; Zaharia, S. G.; Thomsen, D.

    2009-12-01

    The Dynamic Radiation Environment Assimilation Model (DREAM) is a data-assimilative model of the Earth’s radiation belts that has, until recently, been used primarily as a research tool to understand radiation belt dynamics and to develop of Kalman filter techniques for application to magnetospheric modeling. More recently, the emphasis of the DREAM program has shifted toward implementation of an operational prototype for testing and validation at the Air Force Research Laboratory’s (AFRL) Space Weather Forecast Laboratory (SWFL). The transition has required significant effort, funding, and shifting of priorities that serve as a recent example of the opportunities and challenges of transitioning a model from research to operations (R2O). Two recent technical developments will be discussed: (1) implementation of real-time data-assimilation in DREAM and the associated user interfaces and data products and (2) adapting DREAM for service oriented architectures that enable distributed computation and “easy” integration of services that couple codes without those services even having to be aware of each other. (Google Earth is one example of a highly-developed service oriented architecture.) We will briefly illustrate some of these capabilities but we will also discuss requirements for 24/7 operation, self restarting, direct application of outputs, etc. Of equal importance, we will discuss some of the logistical aspects of our experience with R2O. Those include: How do you fund it? How do you identify a feasible subset of user needs? How do you (or should you) support activities at multiple R2O facilities such as SWFL, SWPT, and CCMC? What inter-agency coordination is required? The transition of DREAM from research to operations has been ongoing for just over one year and is not yet complete. So, it can not yet be called a success - but, it hasn’t failed and it continues to provide an interesting, contemporary test case as it crosses the R2O “valley of death”.

  12. Strain dynamics during La2O3/Lu2O3 superlattice and alloy formation

    NASA Astrophysics Data System (ADS)

    Proessdorf, André; Niehle, Michael; Grosse, Frank; Rodenbach, Peter; Hanke, Michael; Trampert, Achim

    2016-06-01

    The dynamics of strain relaxation and intermixing during molecular beam epitaxy of La2O3 and Lu2O3 superlattices and alloys consisting of both binaries on Si(111) have been studied by real-time in situ grazing incidence x-ray diffraction and high resolution transmission electron microscopy. The presence of both hexagonal and cubic polymorphs of La2O3 influences the epitaxial formation within the superlattice. The process of strain relaxation is closely related to the presence of a (La,Lu)2O3 alloy adopting a cubic symmetry. It is formed by interdiffusion of La and Lu atoms reducing internal lattice mismatch within the superlattice. An interface thickness dominated by interdiffusion regions of about 3 monolayers is determined by high-angle annular dark field scanning transmission electron microscopy.

  13. Role of B2O3 on the Viscosity and Structure in the CaO-Al2O3-Na2O-Based System

    NASA Astrophysics Data System (ADS)

    Kim, Gi Hyun; Sohn, Il

    2013-10-01

    The effect of B2O3 on the viscosity and structure in the calcium-aluminate melt flux system containing Na2O was studied. An increase in the B2O3 content at fixed CaO/Al2O3 ratio lowered the viscosity. Higher CaO/Al2O3 ratio at fixed B2O3 content also decreased the viscosity. The alumino-borate structures were confirmed through Fourier transformed infrared (FTIR) and Raman spectroscopy and consisted of [AlO4]-tetrahedral structural units, [BO3]-triangular structural units, and [BO4]-tetrahedral structural units, which could be correlated to the viscosity. At fixed CaO/Al2O3 ratio, B2O3 additions decreased the [AlO4]-tetrahedral structural units and transformed the 3-D network structures such as pentaborate and tetraborate into 2-D network structures of boroxol and boroxyl rings by breaking the bridged oxygen atoms (O0) to produce non-bridged oxygen atoms (O-) leading to a decrease in the molten flux viscosity. At fixed B2O3 contents and higher CaO/Al2O3 ratio, 3-D complex network structures become 3-D simple and 2-D isolated network structures, resulting in lower viscosities. The apparent activation energy for viscous flow varied from 132 to 249 kJ/mol according to the composition of B2O3 and CaO/Al2O3 ratio.

  14. 40 CFR Table I-8 to Subpart I of... - Default Emission Factors (1-UN2O,j) for N2O Utilization (UN2O,j)

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 21 2014-07-01 2014-07-01 false Default Emission Factors (1-UN2O,j) for N2O Utilization (UN2O,j) I Table I-8 to Subpart I of Part 98 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) MANDATORY GREENHOUSE GAS...

  15. 40 CFR Table I-8 to Subpart I of... - Default Emission Factors (1-UN2O j) for N2O Utilization (UN2O j)

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 22 2013-07-01 2013-07-01 false Default Emission Factors (1-UN2O j) for N2O Utilization (UN2O j) I Table I-8 to Subpart I of Part 98 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) MANDATORY GREENHOUSE GAS...

  16. Photodesorption of H2O, HDO, and D2O ice and its impact on fractionation

    NASA Astrophysics Data System (ADS)

    Arasa, Carina; Koning, Jesper; Kroes, Geert-Jan; Walsh, Catherine; van Dishoeck, Ewine F.

    2015-03-01

    The HDO/H2O ratio measured in interstellar gas is often used to draw conclusions on the formation and evolution of water in star-forming regions and, by comparison with cometary data, on the origin of water on Earth. In cold cores and in the outer regions of protoplanetary disks, an important source of gas-phase water comes from photodesorption of water ice. This research note presents fitting formulae for implementation in astrochemical models using previously computed photodesorption efficiencies for all water ice isotopologues obtained with classical molecular dynamics simulations. The results are used to investigate to what extent the gas-phase HDO/H2O ratio reflects that present in the ice or whether fractionation can occur during the photodesorption process. Probabilities for the top four monolayers are presented for photodesorption of X (X = H, D) atoms, OX radicals, and X2O and HDO molecules following photodissociation of H2O, D2O, and HDO in H2O amorphous ice at ice temperatures from 10-100 K. Significant isotope effects are found for all possible products: (1) H atom photodesorption probabilities from H2O ice are larger than those for D atom photodesorption from D2O ice by a factor of 1.1; the ratio of H and D photodesorbed upon HDO photodissociation is a factor of 2. This process will enrich the ice in deuterium atoms over time; (2) the OD/OH photodesorption ratio upon D2O and H2O photodissociation is on average a factor of 2, but the OD/OH photodesorption ratio upon HDO photodissociation is almost constant at unity for all ice temperatures; (3) D atoms are more effective in kicking out neighbouring water molecules than H atoms. However, the ratio of the photodesorbed HDO and H2O molecules is equal to the HDO/H2O ratio in the ice, therefore, there is no isotope fractionation when HDO and H2O photodesorb from the ice. Nevertheless, the enrichment of the ice in D atoms due to photodesorption can over time lead to an enhanced HDO/H2O ratio in the ice, and

  17. The H2O2-H2O Hypothesis: Extremophiles Adapted to Conditions on Mars?

    NASA Astrophysics Data System (ADS)

    Houtkooper, Joop M.; Schulze-Makuch, Dirk

    2007-08-01

    The discovery of extremophiles on Earth is a sequence of discoveries of life in environments where it had been deemed impossible a few decades ago. The next frontier may be the Martian surface environment: could life have adapted to this harsh environment? What we learned from terrestrial extremophiles is that life adapts to every available niche where energy, liquid water and organic materials are available so that in principle metabolism and propagation are possible. A feasible adaptation mechanism to the Martian surface environment would be the incorporation of a high concentration of hydrogen peroxide in the intracellular fluid of organisms. The H2O2-H2O hypothesis suggests the existence of Martian organisms that have a mixture of H2O2 and H2O instead of salty water as their intracellular liquid (Houtkooper and Schulze-Makuch, 2007). The advantages are that the freezing point is low (the eutectic freezes at 56.5°C) and that the mixture is hygroscopic. This would enable the organisms to scavenge water from the atmosphere or from the adsorbed layers of water molecules on mineral grains, with H2O2 being also a source of oxygen. Moreover, below its freezing point the H2O2-H2O mixture has the tendency to supercool. Hydrogen peroxide is not unknown to biochemistry on Earth. There are organisms for which H2O2 plays a significant role: the bombardier beetle, Brachinus crepitans, produces a 25% H2O2 solution and, when attacked by a predator, mixes it with a fluid containing hydroquinone and a catalyst, which produces an audible steam explosion and noxious fumes. Another example is Acetobacter peroxidans, which uses H2O2 in its metabolism. H2O2 plays various other roles, such as the mediation of physiological responses such as cell proliferation, differentiation, and migration. Moreover, most eukaryotic cells contain an organelle, the peroxisome, which mediates the reactions involving H2O2. Therefore it is feasible that in the course of evolution, water-based organisms

  18. The Elevation of Boiling Points in H_2O and D_2O Electrolytes

    NASA Astrophysics Data System (ADS)

    Miles, M. H.; Arman, H. D.; Carrick, J. D.; Gren, C. K.; Haggerty, K. A.; Kim, H. Y.; Ky, A. G.; Markham, J. E.; Meeks, C. F.; Noga, D. E.

    2002-03-01

    The excess enthalpy effect in cold fusion experiments for Pd/D_2O systems is subject to positive feedback, i.e., increasing the cell temperature increases the excess enthalpy . Therefore, the largest excess enthalpy effects are often observed near or at the boiling point corresponding to that of the electrolyte solution in the cell(M.H. Miles, M. Fleischmann and M.A. Imam, "Calorimetric Analysis of a Heavy Water Electrolysis Experiment Using a Pd-B Alloy Cathode", Naval Research Lab Mem. Rep.,#6320-01-8526, pp. 27-30 (2001).). However, the actual boiling point increases as the D_2O content of the cell decreases. The purpose of this project will be to compare experimental values of the change in temperature ΔT obtained using H_2O and D_2O solutions with theoretical values of ΔT calculated by assuming ideal solutions. The emphasis will be on higher concentrations as well as on saturated solutions where ΔT values may be quite large. Preliminary results for LiOH in H_2O show reasonable agreement with ideal solution ΔT values up to LiOH concentrations of 1.0 molal (m).

  19. Tensile Behavior of Al2o3/feal + B and Al2o3/fecraly Composites

    NASA Technical Reports Server (NTRS)

    Draper, S. L.; Eldridge, J. I.; Aiken, B. J. M.

    1995-01-01

    The feasibility of Al2O3/FeAl + B and Al2O3/FeCrAlY composites for high-temperature applications was assessed. The major emphasis was on tensile behavior of both the monolithics and composites from 298 to 1100 K. However, the study also included determining the chemical compatibility of the composites, measuring the interfacial shear strengths, and investigating the effect of processing on the strength of the single-crystal Al2O3 fibers. The interfacial shear strengths were low for Al203/FeAl + B and moderate to high for Al203/FeCrAlY. The difference in interfacial bond strengths between the two systems affected the tensile behavior of the composites. The strength of the Al203 fiber was significantly degraded after composite processing for both composite systems and resulted in poor composite tensile properties. The ultimate tensile strength (UTS) values of the composites could generally be predicted with either rule of mixtures (ROM) calculations or existing models when using the strength of the etched-out fiber. The Al2O3/FeAl + B composite system was determined to be unfeasible due to poor interfacial shear strengths and a large mismatch in coefficient of thermal expansion (CTE). Development of the Al2O3/FeCrAlY system would require an effective diffusion barrier to minimize the fiber strength degradation during processing and elevated temperature service.

  20. [Simulation of N2O emissions in agroecosystems].

    PubMed

    Liu, Jiandong; Zhou, Xiuji; Ding, Guoan; Ouyang, Zhiyun; Wang, Xiaoke

    2002-11-01

    A numerical model for simulating N2O emissions in agroecosystem was established. Validation of the model with the observed data showed that the model simulated the process of N2O emissions in fields fairly well. The numerical analysis showed that the N2O emissions were interrelated well with average temperature during rice growth periods. Analysis of N2O emissions and meteorological factors by using power spectrum found that the change of N2O emissions had 7-9 year cycles. Sensitivity test showed that the N2O emission increased with temperature enhancement. PMID:12619275

  1. N2O emission from full-scale urban wastewater treatment plants: a comparison between A(2)O and SBR.

    PubMed

    Sun, Shichang; Cheng, Xiang; Li, Sha; Qi, Fei; Liu, Yan; Sun, Dezhi

    2013-01-01

    The emission of nitrous oxide (N2O) from full-scale anoxic/anaerobic/oxic (A(2)O) and sequencing batch reactor (SBR) processes was measured to evaluate N2O emission from urban wastewater treatment plants (WWTPs). The results showed that N2O flux in the A(2)O WWTP followed an order of A(2)O-oxic zone > aerated grit tank > A(2)O-anaerobic zone > A(2)O-anoxic zone > final clarifier > primary clarifier, while in the SBR WWTP the order was SBR tank > swirl grit tank > wastewater distribution tank and within the SBR tank in an order of SBR-feeding period > SBR-aeration period > SBR-settling period > SBR-decanting period. N2O emission from the A(2)O WWTP was approximately 486.61 kg d(-1), 96.9% of which was from the A(2)O-oxic zone. In the SBR WWTP, the emission of N2O was 339.24 kg d(-1) with 99.9% of the total emission coming from the periods of feeding and aeration. There was 6.52% of nitrogen-load in the influent being transformed to the emitted N2O in the SBR WWTP; the percentage was 3.35 times higher than that in the A(2)O WWTP. PMID:23656929

  2. N2O and δ15N-N2O and δ18O-N2O from polar ice cores: interpretable data for interglacials

    NASA Astrophysics Data System (ADS)

    Bock, Michael; Schmitt, Jochen; Seth, Barbara; Beck, Jonas; Fischer, Hubertus

    2014-05-01

    Ice cores provide a wealth of information on climate change. For instance, the history of the atmospheric greenhouse gas N2O can be reconstructed using air entrapped in polar ice cores. N2O has several sources in both terrestrial and marine ecosystems, predominantly wetland soils and oxygen minimum zones in the ocean. N2O records generally follow the climatic changes during the glacial-interglacial cycles with higher N2O mixing ratios during warmer climate stages. However, the underlying processes driving these changes are difficult to identify from N2O mixing ratios alone. Additional information on the individual sources and sinks are provided by stable isotope measurements. The emission fluxes of the dominant N2O sources are ascribed to several pathways (nitrification, denitrification), with characteristic fractionation factors for the nitrogen and oxygen isotope signatures of the generated N2O (δ15N-N2O and δ18O-N2O). In the end, the individual proportions of pathways are responsible for distinct δ15N-N2O and δ18O-N2O for the average terrestrial and marine sources. Here, we present new ice core measurements of δ15N-N2O and δ18O-N2O covering the Holocene, MIS 5 and MIS 11. For the past 15 kyrs the δ15N-N2O record shows a continuous decrease starting at 15 kyrs to about 6 kyrs; during the past 6 kyrs δ15N-N2O remains rather constant. The resemblance with a recently published global reconstruction of bulk δ15N is remarkable (McLauchlan et al. 2013, Nature). Taken at face value this could mean that mainly the terrestrial source signature changed rather than a shift in the relative proportions of the terrestrial and marine source. The integrity of N2O ice core records relies on the assumption that the measurements truly represent the past atmosphere. However, comparative analyses of different ice cores from the same age intervals show offsets in the N2O mixing ratios among the records. One likely assumption is that higher mixing ratios are due to in

  3. Polynuclear complexes with bridging pyrophosphate ligands: synthesis and characterisation of {[(bipy)Cu(H2O)(mu-P2O7)Na2(H2O)6] x 4H2O}, {[(bipy)Zn-(H2O)(mu-P2O7)Zn(bipy)]2 x 14H2O} and {[(bipy)(VO)2]2(mu-P2O7)] x 5H2O}.

    PubMed

    Doyle, Robert P; Nieuwenhuyzen, Mark; Kruger, Paul E

    2005-12-01

    The reaction in water of M(II) ions (M = Cu, 1; Zn, 2; VO, 3) with 2,2'-bipyridine (bipy) followed by Na4P2O7 leads to the formation of three new complexes which feature the pyrophosphate anion, P2O7(4-), as a bridging ligand. Single crystal X-ray diffraction revealed 1 to be {[(bipy)Cu(H2O)(micro-P2O7)Na2(H2O)6] x 4H2O}, and 2 as a tetranuclear Zn(II) complex, {[(bipy)Zn(H2O)(micro-P2O7)Zn(bipy)]2 x 14H2O}. The structure of 1 consists of a mononuclear [(bipy)Cu(H2O)(P2O7)]2- unit that links via a pyrophosphate bridge to two Na atoms. The hydrated six-coordinate Na atoms themselves join together through bridging water molecules to generate a 2D Na-water sheet. The structure of 2 consists of a tetranuclear Zn(II) cluster (dimer-of-dimers) with two pyrophosphate ligands bridging between four metal centres. Adjacent clusters interact through face-to-face pi-pi interactions via the bipy ligands to yield a 2D sheet. Adjacent sheets pack in register to create channels, which are filled by the water molecules of crystallisation. An intricate 2D H-bonded water network separates adjacent sheets and encapsulates the tetranuclear clusters. Aspects of the pyrophosphate coordination modes in 1 and 2 are of structural relevance to those found within the inorganic pyrophosphatases. Compound 3, {[(bipy)(VO)2]2(micro-P2O7)] x 5H2O}, was isolated as an insoluble lime-green powder. Its dinuclear structure was elucidated from elemental and thermal analysis, magnetic susceptibility measurement and IR spectroscopy. The latter displayed characteristic bridging pyrophosphate and signature V=O stretches, which were corroborated by contrast to the IR spectra of 1 and 2 and through comparison with those found in the structurally characterised dinuclear complex, {[(bipy)Cu(H2O)]2(micro-P2O7) x 7H2O}, 4. PMID:16471055

  4. Room-temperature Formation of Hollow Cu2O Nanoparticles

    SciTech Connect

    Hung, Ling-I; Tsung, Chia-Kuang; Huang, Wenyu; Yang, Peidong

    2010-01-18

    Monodisperse Cu and Cu2O nanoparticles (NPs) are synthesized using tetradecylphosphonic acid as a capping agent. Dispersing the NPs in chloroform and hexane at room temperature results in the formation of hollow Cu2O NPs and Cu@Cu2O core/shell NPs, respectively. The monodisperse Cu2O NPs are used to fabricate hybrid solar cells with efficiency of 0.14percent under AM 1.5 and 1 Sun illumination.

  5. 40 CFR 1065.275 - N2O measurement devices.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... for interpretation of infrared spectra. For example, EPA Test Method 320 is considered a valid method... of H2O, are dependent on the N2O infrared absorption band chosen by the instrument manufacturer and... N2O infrared absorption band chosen by the instrument manufacturer and should be...

  6. 40 CFR 1065.275 - N2O measurement devices.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... for interpretation of infrared spectra. For example, EPA Test Method 320 is considered a valid method... of H2O, are dependent on the N2O infrared absorption band chosen by the instrument manufacturer and... N2O infrared absorption band chosen by the instrument manufacturer and should be...

  7. Identification and stability of U sub 2 O sub 2 , U sub 2 O sub 3 , and U sub 2 O sub 4 gaseous oxides molecules

    SciTech Connect

    Guido, M. ); Balducci, G. )

    1991-10-01

    The U{sub 2}O{sub 3}{sub ({ital g})} and U{sub 2}O{sub 4}{sub ({ital g})} species have been for the first time identified by Knudsen cell-mass spectrometry and their heats of formation and atomization energies have been tentatively derived. A redetermination of these quantities for the already known UO{sub 3}{sub ({ital g})} and U{sub 2}O{sub 2}{sub ({ital g})} molecules has been also attempted.

  8. High Temperature Mechanical Characterization and Analysis of Al2O3 /Al2O3 Composition

    NASA Technical Reports Server (NTRS)

    Gyekenyesi, John Z.; Jaskowiak, Martha H.

    1999-01-01

    Sixteen ply unidirectional zirconia coated single crystal Al2O3 fiber reinforced polycrystalline Al2O3 was tested in uniaxial tension at temperatures to 1400 C in air. Fiber volume fractions ranged from 26 to 31%. The matrix has primarily open porosity of approximately 40%. Theories for predicting the Young's modulus, first matrix cracking stress, and ultimate strength were applied and evaluated for suitability in predicting the mechanical behavior of Al2O3/Al2O3 composites. The composite exhibited pseudo tough behavior (increased area under the stress/strain curve relative to monolithic alumina) from 22 to 1400 C. The rule-of-mixtures provides a good estimate of the Young's modulus of the composite using the constituent properties from room temperature to approximately 1200 C for short term static tensile tests in air. The ACK theory provides the best approximation of the first matrix cracking stress while accounting for residual stresses at room temperature. Difficulties in determining the fiber/matrix interfacial shear stress at high temperatures prevented the accurate prediction of the first matrix cracking stress above room temperature. The theory of Cao and Thouless, based on Weibull statistics, gave the best prediction for the composite ultimate tensile strength.

  9. Electrochemistry of LiCl-Li2O-H2O Molten Salt Systems

    SciTech Connect

    Natalie J. Gese; Batric Pesic

    2013-03-01

    Uranium can be recovered from uranium oxide (UO2) spent fuel through the combination of the oxide reduction and electrorefining processes. During oxide reduction, the spent fuel is introduced to molten LiCl-Li2O salt at 650 degrees C and the UO2 is reduced to uranium metal via two routes: (1) electrochemically, and (2) chemically by lithium metal (Li0) that is produced electrochemically. However, the hygroscopic nature of both LiCl and Li2O leads to the formation of LiOH, contributing hydroxyl anions (OH-), the reduction of which interferes with the Li0 generation required for the chemical reduction of UO2. In order for the oxide reduction process to be an effective method for the treatment of uranium oxide fuel, the role of moisture in the LiCl-Li2O system must be understood. The behavior of moisture in the LiCl-Li2O molten salt system was studied using cyclic voltammetry, chronopotentiometry and chronoamperometry, while reduction to hydrogen was confirmed with gas chromatography.

  10. PREPARATION, CHARACTERIZATION AND ACTIVITY OF AL2O3-SUPPORTED V2O5 CATALYSTS

    EPA Science Inventory

    A series of activated alumina supported vanadium oxide catalysts with various V2O5 loadings ranging from 5 to 25 wt% has been prepared by wet impregnation technique. A combination of various physico-chemical techniques such as BET surface areas, oxygen chemisorption, X-ray diffra...

  11. Solid Solution Effects on the MgAl2O4-MgGa2O4 System

    SciTech Connect

    O'Hara, Kelley; Smith, Jeffrey D; Hemrick, James Gordon

    2009-01-01

    Phase relations between two spinel compounds (MgAl2O4 and MgGa2O4) were studied. Stoichiometric MgAl2O4 was formed in the laboratory through a coprecipitation method. Complete solid solution formation int eh MgAl2O4-MgGa2O4 systems was confirmed through X-ray diffraction analysis. Solid solution between MgAl2O4-MgGa2O4 decreases thermal conductivity at all temperatures up to 900oC. At 200oC with 10 mol% additoin of MgGa2O4 thermal conductivity decreases approximately 25%, and at 900oC there was still an 8% decrease. Additionally, preliminary studies show that porosity between 5% and 10% does not have an appreciable effect on the thermal conductivity in this study.

  12. FTIR studies of H 2O and D 2O decomposition on porous silicon surfaces

    NASA Astrophysics Data System (ADS)

    Gupta, P.; Dillon, A. C.; Bracker, A. S.; George, S. M.

    1991-04-01

    The decomposition of H 2O and D 2O on silicon surfaces was studied using transmission Fourier-transform infrared (FTIR) spectroscopy. These FTIR studies were performed in situ in an ultrahigh vacuum chamber using high surface area porous silicon samples. The FTIR spectra revealed that H 2O (D 2O) initially dissociates upon adsorption at 300 K to form SiH (SiD) and SiOH (SiOD) surface species, i.e., H 2O → SiH + SiOH. The decomposition of these surface species was then monitored using the SiH (SiD) stretch at 2090 cm -1 (1513 cm -1), SiOH (SiOD) stretch at 3680 cm -1 (2707 cm -1) and the SiOSi stretch at 900-1100 cm -1. As the silicon surface was annealed to 650 K, the FTIR spectra revealed that the SiOH surface species progressively decomposed to SiOSi species and additional SiH species, i.e., SiOH → SiH + SiOSi. Above 650 K, the SiH surface species decreased concurrently with the desorption of H -1 from the porous silicon surface. New blue-shifted infrared features in the SiH stretching region were observed at 2119, 2176 and 2268 cm -1 after annealing above 600 K. Additional infrared studies of partially hydrogen-covered porous silicon surfaces exposed to O 2 suggested that these blue-shifted SiH stretching vibrations were associated with silicon surface atoms backbonded to one, two or three oxygen atoms, respectively.

  13. The chemisorption of H2O, HCOOH and CH3COOH on thin amorphous films of Al2O3

    NASA Technical Reports Server (NTRS)

    Lewis, B. F.; Weinberg, W. H.; Mosesman, M.

    1974-01-01

    Investigation of the irreversible chemisorption of water, formic acid and acetic acid on a thin amorphous aluminum oxide film, using inelastic tunneling spectroscopy. All of the tunnel junctions employed were Al-Al2O3-Pb junctions with the adsorbate on the Al2O3 surface between the Al2O3 and the Pb electrode. The results obtained include the finding that all Al2O3 surfaces prepared by oxidation of Al have free CH groups present on them.

  14. Three new phosphates with isolated P2O7 units: noncentrosymmetric Cs2Ba3(P2O7)2 and centrosymmetric Cs2BaP2O7 and LiCsBaP2O7.

    PubMed

    Li, Lin; Han, Shujuan; Lei, Bing-Hua; Wang, Ying; Li, Hongyi; Yang, Zhihua; Pan, Shilie

    2016-03-01

    Three new phosphates, a noncentrosymmetric (NCS) Cs2Ba3(P2O7)2 and centrosymmetric (CS) Cs2BaP2O7 and LiCsBaP2O7, have been synthesized from high-temperature solutions for the first time. Analysis of the structures determined by single-crystal X-ray diffraction showed that although the three compounds contained isolated P2O7 units, they yielded different three-dimensional (3D) networks: Cs2Ba3(P2O7)2 crystallized in the NCS Orthorhombic space group P212121, Cs2BaP2O7 in the CS monoclinic space group P21/n, and LiCsBaP2O7, having an identical stoichiometry with Cs2BaP2O7, crystallized in monoclinic space group, P21/c. Structural comparisons suggested the differences between their 3D frameworks to be due to differences between the sizes and coordination environments of the cations. Characterizations including thermal and optical analyses showed Cs2Ba3(P2O7)2 and Cs2BaP2O7 to melt congruently, and Cs2Ba3(P2O7)2 to exhibit a wide transparent region with a cut-off edge below 176 nm. The NLO properties and electronic structures of these compounds were investigated using first-principles calcualtions. PMID:26831497

  15. Effects of the substitution of P2O5 by B2O3 on the structure and dielectric properties in (90-x) P2O5-xB2O3-10Fe2O3 glasses.

    PubMed

    Sdiri, N; Elhouichet, H; Dhaou, H; Mokhtar, F

    2014-01-01

    90%[xB2O3 (1-x) P2O5] 10%Fe2O3, glass systems where (x=0 mol%, 5 mol%, 10 mol%, 15 mol%, 20 mol%) was prepared via a melt quenching technique. The structure of glass is investigated at room temperature by, Raman and EPR spectroscopy. Raman studies have been performed on these glasses to examine the distribution of different borate and phosphate structural groups. We have noted an increase from 3 to 4 in the coordination number of the boron atoms from 3 to 4, i.e., the conversion of the BO3 triangular structural units into BO4 tetrahedra. The samples have been investigated by means of electron paramagnetic resonance (EPR). The results obtained from the gef=4.28 EPR line are typical of the occurrence of iron (III) occupying substitutional sites. Moreover, the dielectric sizes such as ε'(ω), ε″(ω), imaginary parts of the electrical modulus, M(*)(ω) and the loss tanδ, their variation with frequency at room temperature show a decrease in relaxation intensity with an increase in the concentration of (B2O3). On the present work, we have found a weak extinction index with our new glass. PMID:23995605

  16. Holmium-doped Lu2O3, Y2O3, and Sc2O3 for lasers above 2.1 μm.

    PubMed

    Koopmann, Philipp; Lamrini, Samir; Scholle, Karsten; Schäfer, Michael; Fuhrberg, Peter; Huber, Günter

    2013-02-11

    Efficient room-temperature laser operation was obtained in the wavelength range from 2117 nm to 2134 nm with Ho:Lu(2)O(3) and Ho:Y(2)O(3) as the active materials. With an FBG-stabilized Tm-doped fiber laser as the pump source, the maximum slope efficiency and output power of the Ho:Y(2)O(3) laser were 63% and 18.8 W, respectively. With Ho:Lu(2)O(3) the respective values were 76% and 25.2 W. With Ho:Sc(2)O(3) as the active material the accessible wavelength range could be expanded to 2158 nm in a diode-pumped setup. PMID:23481849

  17. Structure, dielectric and bioactivity of P2O5-CaO-Na2O-B2O3 bioactive glass

    NASA Astrophysics Data System (ADS)

    Maheswaran, A.; Hirankumar, G.; Heller, Nithya; Karthickprabhu, S.; Kawamura, Junichi

    2014-06-01

    Bioactive phosphate glasses have been widely investigated for bone repair. Phosphate glass system of 47P2O5-30.5CaO-(22.5-x)Na2O-xB2O3 has been prepared by melt quenching technique. From the Raman analysis, it is confirmed that phosphate network form metaphosphate structure. Bioactivity of the glass is studied by immersing the prepared glass in simulated body fluid (SBF). All the glasses exhibited bioactivity after soaking in SBF. Addition of B2O3 to the glass by replacing the Na2O produces considerable effect on the dielectric and bioactivity of the glass. Ion dynamics are also analyzed through imaginary modulus and imaginary dielectric permittivity.

  18. On the neutron scattering length density of proteins in H2O/D2O

    NASA Astrophysics Data System (ADS)

    Efimova, Y. M.; van Well, A. A.; Hanefeld, U.; Wierczinski, B.; Bouwman, W. G.

    2004-07-01

    The structure of the protein layers adsorbed at different interfaces can be determined by using neutron-reflection and small-angle neutron scattering. For highlighting the adsorbed protein layer at the interface, the technique of contrast-variation by changing the H2O/D2O ratio, is often used. For determining the scattering length density, both the protein volume in solution and the total scattering length of the protein is needed. The volume is calculated from the amino-acid sequence. For calculating the scattering length, the H/D exchange of the labile protons of the protein should be taken into account. For monitoring the H/D exchange, Positive Electrospray Ionization Mass Spectroscopy was applied. We compare experimental results for the exchange in lysozyme and β-casein with theoretical calculations. The importance of using the correct protein scattering-length density is elucidated by simultaneous model fitting to neutron reflection data at different water contrasts.

  19. Muonium Diffusion in In2O3

    NASA Astrophysics Data System (ADS)

    Baker, Brittany; Lichti, Roger; Celebi, Y. Gurkan; Mengyan, Patrick

    2015-03-01

    Indium oxide (In2O3) is a transparent conducting oxide (TCO) commonly found in mixtures used as windows and transparent electrodes in optical semiconductor devices (i.e. LEDs and solar cells). Hydrogen diffusion in the TCO layer and across the interface between the TCO and the semiconductor device plays an important role in the degradation of the transparency of TCO windows or electrodes. Theoretical calculations show positive H as the only stable, interstitial H charge state above the neutral H ionization temperature. Muon Spin Relaxation measurements were performed to investigate positive muon (Mu+) diffusion which are an experimentally accessible analog to H+. Three distinct Mu+ states are identified between 2 K and 1000 K; a static low temperature state, a dynamic state above room temperature, and a trapping state from 400 K to 800 K. The trap component creates complex dynamics and has been modeled assuming the Mu+ transfers between the dynamic state and the trapping state. Fits of the model to the data provide information about capture and release rates and energy barriers into and out of the trap state. Here we present and discuss results from these fits, possible site locations for each state and likely diffusion paths.

  20. H2O2 space shuttle APU

    NASA Technical Reports Server (NTRS)

    1975-01-01

    A cryogenic H2-O2 auxiliary power unit (APU) was developed and successfully demonstrated. It has potential application as a minimum weight alternate to the space shuttle baseline APU because of its (1) low specific propellant consumption and (2) heat sink capabilities that reduce the amount of expendable evaporants. A reference system was designed with the necessary heat exchangers, combustor, turbine-gearbox, valves, and electronic controls to provide 400 shp to two aircraft hydraulic pumps. Development testing was carried out first on the combustor and control valves. This was followed by development of the control subsystem including the controller, the hydrogen and oxygen control valves, the combustor, and a turbine simulator. The complete APU system was hot tested for 10 hr with ambient and cryogenic propellants. Demonstrated at 95 percent of design power was 2.25 lb/hp-hr. At 10 percent design power, specific propellant consumption was 4 lb/hp-hr with space simulated exhaust and 5.2 lb/hp-hr with ambient exhaust. A 10 percent specific propellant consumption improvement is possible with some seal modifications. It was demonstrated that APU power levels could be changed by several hundred horsepower in less than 100 msec without exceeding allowable turbine inlet temperatures or turbine speed.

  1. Study on Viscosity of the La2O3-SiO2-Al2O3 Slag System

    NASA Astrophysics Data System (ADS)

    Deng, Yong-chun; Wu, Sheng-li; Jiang, Yin-ju; Jia, Su-qi

    2016-08-01

    The viscosities and free-running temperatures of slag in a La2O3-SiO2-Al2O3 slag system were measured using an internal rotating cylinder method. For different La2O3 mass contents (45, 50, and 55 pct) in the La2O3-SiO2-Al2O3 ternary slag, the slag viscosity and free-running temperature decreased with a decrease in SiO2 content and an increase in Al2O3 content, and decreased with an increase in La2O3 content. Minor components B2O3, FeO, and MnO could decrease the viscosity and free-running temperature of La2O3-SiO2-Al2O3 ternary slag, especially FeO, and a small amount of FeO and B2O3 had an additive effect on slag viscosity and free-running temperature reduction.

  2. XAFS analysis for quantification of the gallium coordinations in Al2O3-supported Ga2O3 photocatalysts

    NASA Astrophysics Data System (ADS)

    Akatsuka, M.; Yoshida, T.; Yamamoto, N.; Yamamoto, M.; Ogawa, S.; Yagi, S.

    2016-05-01

    Ga2O3 loaded Al2O3 samples (Ga2O3/Al2O3) were prepared to change coordination structures around Ga atoms. Ga K-edge XANES spectra of the Ga2O3/Al2O3 samples showed two peaks assigned to Ga atoms having tetrahedral coordination structure (Ga(t)) and octahedral one (Ga(o)). Curve-fitting analysis of XANES spectra was carried out with a set of pseudo- Voight and arctangent functions, and the fractions of Ga(t) and Ga(o) were quantitatively estimated from the ratio of the peak areas. EXAFS curve-fitting analysis also evaluated the fractions of Ga(t) and Ga(o) and they were in good agreement with those obtained by XANES analysis. It was revealed that the fraction of Ga(t) increased with the decrease in the loading amount of Ga2O3 due to the interaction of Ga species with Al2O3. The fractions of Ga(t) and Ga(o) might relate to the photocatalytic activity for CO2 reduction with H2O over the Ga2O3/Al2O3 samples.

  3. Phase separation, crystallization and polyamorphism in the Y(2)O(3)-Al(2)O(3) system.

    PubMed

    Skinner, Lawrie B; Barnes, Adrian C; Salmon, Philip S; Crichton, Wilson A

    2008-05-21

    A detailed study of glass formation from aerodynamically levitated liquids in the (Y(2)O(3))(x)(Al(2)O(3))(1-x) system for the composition range 0.21≤x≤0.41 was undertaken by using pyrometric, optical imaging and x-ray diffraction methods. Homogeneous and clear single-phase glasses were produced over the composition range [Formula: see text]. For Y(2)O(3)-rich compositions ([Formula: see text]), cloudy materials were produced which contain inclusions of crystalline yttrium aluminium garnet (YAG) of diameter up to 40 µm in a glassy matrix. For Y(2)O(3)-poor compositions around x = 0.24, cloudy materials were also produced, but it was not possible to deduce whether this resulted from (i) sub-micron inclusions of a nano-crystalline or glassy material in a glassy matrix or (ii) a glass formed by spinodal decomposition. For x = 0.21, however, the sample cloudiness results from crystallization into at least two phases comprising yttrium aluminium perovskite and alumina. The associated pyrometric cooling curve shows slow recalescence events with a continuous and slow evolution of excess heat which contrasts with the sharp recalescence events observed for the crystallization of YAG at compositions near x = 0.375. The materials that are the most likely candidates for demonstrating homogeneous nucleation of a second liquid phase occur around x = 0.25, which corresponds to the limit for formation of a continuous random network of corner-shared AlO(4) tetrahedra. PMID:21694284

  4. Band alignment and electrical properties of Al2O3/β-Ga2O3 heterojunctions

    NASA Astrophysics Data System (ADS)

    Kamimura, Takafumi; Sasaki, Kohei; Hoi Wong, Man; Krishnamurthy, Daivasigamani; Kuramata, Akito; Masui, Takekazu; Yamakoshi, Shigenobu; Higashiwaki, Masataka

    2014-05-01

    The band alignment of Al2O3/n-Ga2O3 was investigated by x-ray photoelectron spectroscopy (XPS). With a band gap of 6.8 ± 0.2 eV measured for Al2O3, the conduction and valence band offsets at the interface were estimated to be 1.5 ± 0.2 eV and 0.7 ± 0.2 eV, respectively. The conduction band offset was also obtained from tunneling current in Al2O3/n-Ga2O3 (2¯01) metal-oxide-semiconductor (MOS) diodes using the Fowler-Nordheim model. The electrically extracted value was in good agreement with the XPS data. Furthermore, the MOS diodes exhibited small capacitance-voltage hysteresis loops, indicating the successful engineering of a high-quality Al2O3/Ga2O3 interface.

  5. Structure evolution of nanoparticulate Fe2O3

    NASA Astrophysics Data System (ADS)

    Erlebach, Andreas; Kurland, Heinz-Dieter; Grabow, Janet; Müller, Frank A.; Sierka, Marek

    2015-02-01

    The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure optimizations at the density functional theory level, molecular dynamics simulations by employing tailored, ab initio parameterized interatomic potential functions and experiments. With the exception of nearly tetrahedral, adamantane-like (Fe2O3)2 small (Fe2O3)n clusters assume compact, virtually amorphous structures with little or no symmetry. For n = 2-5 (Fe2O3)n clusters consist mainly of two- and three-membered Fe-O rings. Starting from n = 5 they increasingly assume tetrahedral shape with the adamantane-like (Fe2O3)2 unit as the main building block. However, the small energy differences between different isomers of the same cluster-size make precise structural assignment for larger (Fe2O3)n clusters difficult. The tetrahedral morphology persists for Fe2O3 nanoparticles with up to 3 nm in diameter. Simulated crystallization of larger nanoparticles with diameters of about 5 nm demonstrates pronounced melting point depression and leads to formation of ε-Fe2O3 single crystals with hexagonal morphology. This finding is in excellent agreement with the results obtained for Fe2O3 nanopowders generated by laser vaporization and provides the first direct indication that ε-Fe2O3 may be thermodynamically the most stable phase in this size regime.The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure optimizations at the density functional theory level, molecular dynamics simulations by employing tailored, ab initio parameterized interatomic potential functions and experiments. With the exception of nearly tetrahedral, adamantane-like (Fe2O3)2 small (Fe2O3)n

  6. Electron swarm coefficients for H2O and H2O-N2

    NASA Astrophysics Data System (ADS)

    Juarez, A. M.; Basurto, E.; Hernandez-Avila, J. L.; de Urquijo, J.

    2008-10-01

    We have used a pulsed Townsend technique to measure the electron drift velocity ve, the density normalized longitudinal diffusion coefficient NDL, and effective ionization coefficient (α-η)/N, in water vapour and water vapour-nitrogen mixtures over the density-reduced electric field range E/N, 16-650 x 10-17V cm^2. The ve values are in good agreement with previous ones, while those for NDL agree well with a previous calculation. The limiting value for E/N was found to be E/Nlim=137 x 10-17 V cm^2. For E/N<70x10-17 V cm^2, the ve curves lie below that for pure N2; however, the 10% H2O-N2 curve for ve shows the trend for negative differential conductivity. The (α-η)/N curve for H2O shows a shallow, negative minimum, in disagreement with a recent measurement using the steady-state Townsend technique. The H2O-N2 curves for (α-η)/N show a progressively smaller minima, together with a trend to lower values of (α-η)/N as the N2 content in the mixture increases. This research aims to provide a complete set of self-consistent electron swarm parameters for the simulation of flue-gas discharges.

  7. Electron collisions with the CH{sub 2}O-H{sub 2}O complex

    SciTech Connect

    Freitas, T. C.; Lima, M. A. P.; Canuto, S.; Bettega, M. H. F.

    2009-12-15

    We report cross sections for elastic collisions of low-energy electrons with the CH{sub 2}O-H{sub 2}O complex. We employed the Schwinger multichannel method with pseudopotentials in the static-exchange and in the static-exchange-polarization approximations for energies from 0.1 to 20 eV. We considered four different hydrogen-bonded structures for the complex that were generated by classical Monte Carlo simulations. Our aim is to investigate the effect of the water molecule on the pi* shape resonance of formaldehyde. Previous studies reported a pi* shape resonance for CH{sub 2}O at around 1 eV. The resonance positions of the complexes appear at lower energies in all cases due to the mutual polarization between the two molecules. This indicates that the presence of water may favor dissociation by electron impact and may lead to an important effect on strand breaking in wet DNA by electron impact.

  8. The Paradox of High Subsurface [N2O] and Low Surface Flux of N2O to the Atmosphere

    NASA Astrophysics Data System (ADS)

    Weitzman, J. N.; Kaye, J. P.

    2015-12-01

    Soils are the main contributor of N2O emissions to the atmosphere, as documented by many measurements of N2O efflux at the soil surface. Different soil layers can act as sources or sinks for N2O, depending on N2O consumption and production by microorganisms, diffusion through the soil profile, and dissolution in soil water. Our research sought to identify and quantify sources or sinks of N2O in surface and deeper soils to improve our ability to predict fluxes of N2O from soils to the atmosphere. We monitored the vertical profiles of soil N2O concentrations (0-160 cm depending on thickness) along two contrasting hillslopes (swale versus planar) and three landscape positions (ridgetop, midslope, and valley floor) in the Susquehanna Shale Hills Critical Zone Observatory (CZO) in central Pennsylvania. All landscape and hillslope positions had higher subsurface N2O concentrations (~800-3,000 ppbv) than soil surface concentrations (~320 ppbv), which were close to background atmospheric levels. Low soil-atmosphere fluxes measured in surface chambers suggested that much of the N2O produced at depth never reached the soil surface. Denitrification bioassays conducted on soil cores co-located with gas sampling positions revealed low potential rates of N2O consumption (<0.02 g m-2 yr-1), while dissolved N2O concentrations measured in the nearby stream were below ambient levels (<300 ppbv). These results suggest that the flux of N2O at the soil-atmosphere interface is low because diffusion limits transport from deeper soil layers. Models that link dynamic soil diffusivity with accumulations and depletions of N2O in the subsurface could improve our ability to predict surface-atmosphere N2O efflux.

  9. Thermodynamic investigation on MTe2O6 (M = Th, Ce)

    NASA Astrophysics Data System (ADS)

    Jain, Ashish; Pankajavalli, R.; Anthonysamy, S.

    2013-11-01

    The standard Gibbs energies of formation of MTe2O6 (s) (where M = Th, Ce) were derived from vapour pressure measurements by employing thermogravimetry (TG) based transpiration technique. The vapour pressures of TeO2 (g) over the mixtures MTe2O6 (s) + MO2 (s) generated by the incongruent vapourisation reaction, MTe2O6 (s) → MO2 (s) + 2 TeO2 (g) were measured in the temperature range 1034-1167 K and 986-1129 K for ThTe2O6 (s) and CeTe2O6 (s) respectively. From the vapour pressure measurements the standard Gibbs energies of formation of MTe2O6 (s) were derived. The derived values of Δf G∘ < ThTe2O6, s > and Δf G∘ < CeTe2O6, s > were combined with free energy functions to obtain ΔfH298K∘ of ThTe2O6 (s) and CeTe2O6 (s).

  10. High-Resolution Infrared Diode Laser Spectroscopy of Ne-N2O, Kr-N2O, and Xe-N2O.

    PubMed

    Herrebout; Qian; Yamaguchi; Howard

    1998-06-01

    The rotationally resolved spectra of the van der Waals complexes Ne-N2O, Kr-N2O, and Xe-N2O have been investigated in the region of the nu3 N2O monomer vibrational band using a diode laser absorption spectrometer that is incorporated with a multipass cell and a pulsed jet. The spectra of these three complexes are completely analyzed using a normal asymmetric rotor Hamiltonian, and the effective molecular constants are accurately determined for both the ground and the excited vibrational states. These results show that, like Ar-N2O, the complexes have a T-shaped configuration in which the rare gas atom prefers to lie near to the oxygen side of N2O. The band origins of Rg-N2O (Rg = Ne, Ar, Kr, and Xe) are observed to shift by 0.36125, 0.15038, -0.10131, and -0.49066 cm-1 from that of the monomer, respectively. These band origin shifts are well explained by a simple model for the intermolecular potential. Copyright 1998 Academic Press. PMID:9647718

  11. Na2MoO2As2O7

    PubMed Central

    Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed

    2012-01-01

    Disodium molybdenum dioxide diarsenate, Na2MoO2As2O7, has been synthesized by a solid-state reaction. The structure is built up from MoAs2O12 linear units sharing corners to form a three-dimensional framework containing tunnels running along the a-axis direction in which the Na+ cations are located. In this framework, the AsV atoms are tetra­hedrally coordinated and form an As2O7 group. The MoVI atom is displaced from the center of an octa­hedron of O atoms. Two Na+ cations are disordered about inversion centres. Structural relationships between different compounds: A 2MoO2As2O7 (A = K, Rb), AMOP2O7 (A = Na, K, Rb; M = Mo, Nb) and MoP2O7 are discussed. PMID:23468669

  12. Synthesis and characterization of Cu2O-modified Bi2O3 nanospheres with enhanced visible light photocatalytic activity

    NASA Astrophysics Data System (ADS)

    Luo, Yidan; Huang, Qingqing; Li, Bin; Dong, Lihui; Fan, Minguang; Zhang, Feiyue

    2015-12-01

    In this work, a series of Cu2O-modified Bi2O3 nanospheres with perfect visible-light catalytic activity were successfully synthesized via the two-step method. The obtained products were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET) surface area, UV-visible diffuse reflectance spectroscopy (UV-vis DRS), and X-ray photoelectron spectroscopy (XPS). In the catalysts of Cu2O-modified Bi2O3 nanospheres, Cu2O was dispersed on the surface of Bi2O3 nanospheres. All of Cu2O-modified Bi2O3 nanospheres showed uniformly nanospheres with the size of 80-150 nm, and exhibited enhanced photocatalytic activity in the degradation of Rhodamine B. The higher BET surface area, the band gap narrowing, and the interfacial charge transfer effect were considered to cause the excellent photocatalysis of Cu2O loading Bi2O3 samples. Furthermore, the possible photocatalysis mechanism was proposed.

  13. Active N(2)O emission from bacterial microbiota of Andisol farmland and characterization of some N(2)O emitters.

    PubMed

    Takeda, Hisahaya; Takahashi, Naoki; Hatano, Ryusuke; Hashidoko, Yasuyuki

    2012-08-01

    Andisol in farmland located in Hokkaido, Japan, is known to actively flux nitrous oxide (N(2)O) during the spring to summer seasons. Using a culturing system which mimics farm soils, nitrous oxide (N(2)O) emission potentials of the soils or soil microorganisms were investigated. A total of thirty-three soil samples from the farmland showed high N(2)O production potential, of which the maximum level of N(2)O emission was 3.69 μg per ml of the cultured medium per day (ml(-1) d(-1)) in the assay system. However, only three eubacteria (Leptothrix sp., Paenibacillus sp., and Streptomyces sp.) were isolated as culturable N(2)O emitters among a total of 92 bacterial isolates and 2 fungi obtained from the assayed soil suspensions. N(2)O production from all the isolated N(2)O emitters was more active within a weakly acidic region (pH 4.5-5.0) than neutral regions. However, unlike N(2)O emitters isolated from tropical peat soils, they did not respond to supplemental 0.5% sucrose. In the acetylene inhibition assay for the evaluation of complete denitrification, Leptothrix sp. P3-15D and Streptomyces sp. M2-0C indicated that these culturable N(2)O emitters are not effective denitrifiers but weak N(2)O emitters in the Andisol. Conversely, Rhodococcus sp. that was isolated from the Andisol collected in another season using a KNO(3)-enriched plate, showed 3.2-fold higher N(2)O emission with 10% C(2) H(2). Instead of the culturable bacteria, it is probable that the N(2)O emitters in viable but non-culturable (VBNC) state or obligately anaerobic denitrifiers are the major contributors to N(2)O emission from the vitric Andisol. PMID:22144290

  14. Non-linear Electrical Characteristics of ZnO Modified by Trioxides Sb2O3, Bi2O3, Fe2O3, Al2O3 and La2O3

    NASA Astrophysics Data System (ADS)

    Mekap, Anita; Das, Piyush R.; Choudhary, R. N. P.

    2016-08-01

    The non-linear behavior of polycrystalline-ZnO-based voltage-dependent resistors is considered in the present study. A high-temperature solid-state reaction route was used to synthesize polycrystalline samples of ZnO modified by small amounts of the trioxides Sb2O3, Bi2O3, Fe2O3, etc. in various proportions. X-ray diffraction and scanning electron microscopy techniques were used to study the structural and microstructural characteristics of modified ZnO. Detailed studies of non-linear phenomena of the I-V characteristics, dielectric permittivity ( ɛ r), impedance ( Z), etc. of the samples have provided many interesting results. All the samples exhibited dielectric anomaly. Non-linear variation in polarization with electric field for all the samples was observed. Moreover, significant non-linearity in the I-V characteristics was observed in the breakdown region of all the samples at room temperature. The non-linear coefficient ( α) in different cases, i.e. for I- V, ɛ r- f, ɛ r- T, and ɛ r- Z, was calculated and found to be appreciable. The frequency dependence of ac conductivity suggests that the material obeys Jonscher's universal power law.

  15. Diurnality of soil nitrous oxide (N2O) emissions

    NASA Astrophysics Data System (ADS)

    Gelfand, I.; Moyer, R.; Poe, A.; Pan, D.; Abraha, M.; Chen, J.; Zondlo, M. A.; Robertson, P.

    2015-12-01

    Soil emissions of nitrous oxide (N2O) are important contributors to the greenhouse gas balance of the atmosphere. Agricultural soils contribute ~65% of anthropogenic N2O emissions. Understanding temporal and spatial variability of N2O emissions from agricultural soils is vital for closure of the global N2O budget and the development of mitigation opportunities. Recent studies have observed higher N2O fluxes during the day and lower at night. Understanding the mechanisms of such diurnality may have important consequences for our understanding of the N cycle. We tested the hypothesis that diurnal cycles are driven by root carbon exudes that stimulate denitrification and therefore N2O production. Alternatively, we considered that the cycle could result from higher afternoon temperatures that accelerate soil microbial activity. We removed all plants from a corn field plot and left another plot untouched. We measured soil N2O emissions in each plot using a standard static chamber technique throughout the corn growing season. And also compared static chamber results to ecosystem level N2O emissions as measured by eddy covariance tower equipped with an open-path N2O sensor. We also measured soil and air temperatures and soil water and inorganic N contents. Soil N2O emissions followed soil inorganic N concentrations and in control plot chambers ranged from 10 μg N m-2 hr-1 before fertilization to 13×103 after fertilization. We found strong diurnal cycles measured by both techniques with emissions low during night and morning hours and high during the afternoon. Corn removal had no effect on diurnality, but had a strong effect on the magnitude of soil N2O emissions. Soil temperature exhibited a weak correlation with soil N2O emissions and could not explain diurnal patterns. Further studies are underway to explore additional mechanisms that might contribute to this potentially important phenomena.

  16. Oxygen Transport in Melts Based on V2O5

    NASA Astrophysics Data System (ADS)

    Klimashin, Anton; Belousov, Valery

    2016-02-01

    An oxygen ion transport model was developed for oxide melts based on V2O5. Within the framework of this model, the values of the parabolic rate constant of catastrophic oxidation of V2O5-deposited copper and the oxygen flux through the slags based on molten V2O5 were calculated and compared with experimental data. The calculated and experimental values are of the same order of magnitude which shows an adequacy of the model.

  17. Nitrous oxide (N2O) emission from aquaculture: a review.

    PubMed

    Hu, Zhen; Lee, Jae Woo; Chandran, Kartik; Kim, Sungpyo; Khanal, Samir Kumar

    2012-06-19

    Nitrous oxide (N(2)O) is an important greenhouse gas (GHG) which has a global warming potential 310 times that of carbon dioxide (CO(2)) over a hundred year lifespan. N(2)O is generated during microbial nitrification and denitrification, which are common in aquaculture systems. To date, few studies have been conducted to quantify N(2)O emission from aquaculture. Additionally, very little is known with respect to the microbial pathways through which N(2)O is formed in aquaculture systems. This review suggests that aquaculture can be an important anthropogenic source of N(2)O emission. The global N(2)O-N emission from aquaculture in 2009 is estimated to be 9.30 × 10(10) g, and will increase to 3.83 × 10(11)g which could account for 5.72% of anthropogenic N(2)O-N emission by 2030 if the aquaculture industry continues to increase at the present annual growth rate (about 7.10%). The possible mechanisms and various factors affecting N(2)O production are summarized, and two possible methods to minimize N(2)O emission, namely aquaponic and biofloc technology aquaculture, are also discussed. The paper concludes with future research directions. PMID:22594516

  18. Seasonal variations in N2O emissions from central California

    NASA Astrophysics Data System (ADS)

    Jeong, Seongeun; Zhao, Chuanfeng; Andrews, Arlyn E.; Dlugokencky, Edward J.; Sweeney, Colm; Bianco, Laura; Wilczak, James M.; Fischer, Marc L.

    2012-08-01

    We estimate nitrous oxide (N2O) emissions from Central California for the period of December 2007 through November 2009 by comparing N2O mixing ratios measured at a tall tower (Walnut Grove, WGC) with transport model predictions based on two global a priori N2O emission models (EDGAR32 and EDGAR42). Atmospheric particle trajectories and surface footprints are computed using the Weather Research and Forecasting (WRF) and Stochastic Time-Inverted Lagrangian Transport (STILT) models. Regression analyses show that the slopes of predicted on measured N2O from both emission models are low, suggesting that actual N2O emissions are significantly higher than the EDGAR inventories for all seasons. Bayesian inverse analyses of regional N2O emissions show that posterior annual N2O emissions are larger than both EDGAR inventories by factors of 2.0 ± 0.4 (EDGAR32) and 2.1 ± 0.4 (EDGAR42) with seasonal variation ranging from 1.6 ± 0.3 to 2.5 ± 0.4 for an influence region of Central California within approximately 150 km of the tower. These results suggest that if the spatial distribution of N2O emissions in California follows the EDGAR emission models, then actual emissions are 2.7 ± 0.5 times greater than the current California emission inventory, and total N2O emissions account for 8.1 ± 1.4% of total greenhouse gas emissions from California.

  19. Silicon diffusion control in atomic-layer-deposited Al2O3/La2O3/Al2O3 gate stacks using an Al2O3 barrier layer.

    PubMed

    Wang, Xing; Liu, Hong-Xia; Fei, Chen-Xi; Yin, Shu-Ying; Fan, Xiao-Jiao

    2015-01-01

    In this study, the physical and electrical characteristics of Al2O3/La2O3/Al2O3/Si stack structures affected by the thickness of an Al2O3 barrier layer between Si substrate and La2O3 layer are investigated after a rapid thermal annealing (RTA) treatment. Time of flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy (XPS) tests indicate that an Al2O3 barrier layer (15 atomic layer deposition (ALD) cycles, approximately 1.5 nm) plays an important role in suppressing the diffusion of silicon atoms from Si substrate into the La2O3 layer during the annealing process. As a result, some properties of La2O3 dielectric degenerated by the diffusion of Si atoms are improved. Electrical measurements (C-V, J-V) show that the thickness of Al2O3 barrier layer can affect the shift of flat band voltage (V FB) and the magnitude of gate leakage current density. PMID:25897303

  20. N2O production, a widespread trait in fungi

    PubMed Central

    Maeda, Koki; Spor, Aymé; Edel-Hermann, Véronique; Heraud, Cécile; Breuil, Marie-Christine; Bizouard, Florian; Toyoda, Sakae; Yoshida, Naohiro; Steinberg, Christian; Philippot, Laurent

    2015-01-01

    N2O is a powerful greenhouse gas contributing both to global warming and ozone depletion. While fungi have been identified as a putative source of N2O, little is known about their production of this greenhouse gas. Here we investigated the N2O-producing ability of a collection of 207 fungal isolates. Seventy strains producing N2O in pure culture were identified. They were mostly species from the order Hypocreales order—particularly Fusarium oxysporum and Trichoderma spp.—and to a lesser extent species from the orders Eurotiales, Sordariales, and Chaetosphaeriales. The N2O 15N site preference (SP) values of the fungal strains ranged from 15.8‰ to 36.7‰, and we observed a significant taxa effect, with Penicillium strains displaying lower SP values than the other fungal genera. Inoculation of 15 N2O-producing strains into pre-sterilized arable, forest and grassland soils confirmed the ability of the strains to produce N2O in soil with a significant strain-by-soil effect. The copper-containing nitrite reductase gene (nirK) was amplified from 45 N2O-producing strains, and its genetic variability showed a strong congruence with the ITS phylogeny, indicating vertical inheritance of this trait. Taken together, this comprehensive set of findings should enhance our knowledge of fungi as a source of N2O in the environment. PMID:25894103

  1. Ionic conduction in different hydrated V2O5 film

    NASA Astrophysics Data System (ADS)

    Saatci, A. Evrim; Gökdemir, F. Pınar; Menda, U. Deneb; Kavak, Pelin; Özdemir, Orhan; Kutlu, Kubilay

    2012-09-01

    Because of the layered structure of vanadium pentoxide films (V2O5), approved by XRD measurement, sensitized from different hydrated V2O5.nH2O sols, demonstrated anisotropic conductivities in current voltage (I-V) measurement. Conductivity values, originated from electronic and ionic conductions, differed provided that measurements were performed in a direction parallel to the ribbons rather than perpendicular to them. The overall electrical conductivity of V2O5nH2O sols mainly depended on the hydration state n and the amount of reduced V4+ ions in which n was determined around 4-6 [1] from the basal distance (17.6 Å) through XRD measurement while V4+ ions were determined through FTIR analysis. Electronic conduction prevailed in dehydrated V2O50.5H2O sols whereas non-stoichiometric vanadium pentoxide was a mixed-valence compound and its electronic properties arised from electron hopping between V4+ and V5+ ions so-called "small polaron model". Indeed, reduction/oxidation peaks in lithium (Li+) intercalation by cyclic voltammograms (CV) indicated the V4+ and V5+ ions in V2O5 sols. Temperature dependent I-V analysis showed Arheniuss type activation energy, EA, and located in between 0.3-0.5 eV; proposing ionic conduction rather than electronic conduction, specifically proton diffusion in V2O5 film. Indeed, hydration state greater than 0.5 predicted ionic conduction [1].

  2. N2O production, a widespread trait in fungi.

    PubMed

    Maeda, Koki; Spor, Aymé; Edel-Hermann, Véronique; Heraud, Cécile; Breuil, Marie-Christine; Bizouard, Florian; Toyoda, Sakae; Yoshida, Naohiro; Steinberg, Christian; Philippot, Laurent

    2015-01-01

    N2O is a powerful greenhouse gas contributing both to global warming and ozone depletion. While fungi have been identified as a putative source of N2O, little is known about their production of this greenhouse gas. Here we investigated the N2O-producing ability of a collection of 207 fungal isolates. Seventy strains producing N2O in pure culture were identified. They were mostly species from the order Hypocreales order-particularly Fusarium oxysporum and Trichoderma spp.-and to a lesser extent species from the orders Eurotiales, Sordariales, and Chaetosphaeriales. The N2O (15)N site preference (SP) values of the fungal strains ranged from 15.8‰ to 36.7‰, and we observed a significant taxa effect, with Penicillium strains displaying lower SP values than the other fungal genera. Inoculation of 15 N2O-producing strains into pre-sterilized arable, forest and grassland soils confirmed the ability of the strains to produce N2O in soil with a significant strain-by-soil effect. The copper-containing nitrite reductase gene (nirK) was amplified from 45 N2O-producing strains, and its genetic variability showed a strong congruence with the ITS phylogeny, indicating vertical inheritance of this trait. Taken together, this comprehensive set of findings should enhance our knowledge of fungi as a source of N2O in the environment. PMID:25894103

  3. N2O production, a widespread trait in fungi

    NASA Astrophysics Data System (ADS)

    Maeda, Koki; Spor, Aymé; Edel-Hermann, Véronique; Heraud, Cécile; Breuil, Marie-Christine; Bizouard, Florian; Toyoda, Sakae; Yoshida, Naohiro; Steinberg, Christian; Philippot, Laurent

    2015-04-01

    N2O is a powerful greenhouse gas contributing both to global warming and ozone depletion. While fungi have been identified as a putative source of N2O, little is known about their production of this greenhouse gas. Here we investigated the N2O-producing ability of a collection of 207 fungal isolates. Seventy strains producing N2O in pure culture were identified. They were mostly species from the order Hypocreales order--particularly Fusarium oxysporum and Trichoderma spp.--and to a lesser extent species from the orders Eurotiales, Sordariales, and Chaetosphaeriales. The N2O 15N site preference (SP) values of the fungal strains ranged from 15.8‰ to 36.7‰, and we observed a significant taxa effect, with Penicillium strains displaying lower SP values than the other fungal genera. Inoculation of 15 N2O-producing strains into pre-sterilized arable, forest and grassland soils confirmed the ability of the strains to produce N2O in soil with a significant strain-by-soil effect. The copper-containing nitrite reductase gene (nirK) was amplified from 45 N2O-producing strains, and its genetic variability showed a strong congruence with the ITS phylogeny, indicating vertical inheritance of this trait. Taken together, this comprehensive set of findings should enhance our knowledge of fungi as a source of N2O in the environment.

  4. Catalytic Methane Decomposition over Fe-Al2 O3.

    PubMed

    Zhou, Lu; Enakonda, Linga Reddy; Saih, Youssef; Loptain, Sergei; Gary, Daniel; Del-Gallo, Pascal; Basset, Jean-Marie

    2016-06-01

    The presence of a Fe-FeAl2 O4 structure over an Fe-Al2 O3 catalysts is demonstrated to be vital for the catalytic methane decomposition (CMD) activity. After H2 reduction at 750 °C, Fe-Al2 O3 prepared by means of a fusion method, containing 86.5 wt % FeAl2 O4 and 13.5 wt % Fe(0) , showed a stable CMD activity at 750 °C for as long as 10 h. PMID:27159367

  5. Cu2O-based solar cells using oxide semiconductors

    NASA Astrophysics Data System (ADS)

    Minami, Tadatsugu; Nishi, Yuki; Miyata, Toshihiro

    2016-01-01

    We describe significant improvements of the photovoltaic properties that were achieved in Al-doped ZnO (AZO)/n-type oxide semiconductor/p-type Cu2O heterojunction solar cells fabricated using p-type Cu2O sheets prepared by thermally oxidizing Cu sheets. The multicomponent oxide thin film used as the n-type semiconductor layer was prepared with various chemical compositions on non-intentionally heated Cu2O sheets under various deposition conditions using a pulsed laser deposition method. In Cu2O-based heterojunction solar cells fabricated using various ternary compounds as the n-type oxide thin-film layer, the best photovoltaic performance was obtained with an n-ZnGa2O4 thin-film layer. In most of the Cu2O-based heterojunction solar cells using multicomponent oxides composed of combinations of various binary compounds, the obtained photovoltaic properties changed gradually as the chemical composition was varied. However, with the ZnO-MgO and Ga2O3-Al2O3 systems, higher conversion efficiencies (η) as well as a high open circuit voltage (Voc) were obtained by using a relatively small amount of MgO or Al2O3, e.g., (ZnO)0.91-(MgO)0.09 and (Ga2O3)0.975-(Al2O3)0.025, respectively. When Cu2O-based heterojunction solar cells were fabricated using Al2O3-Ga2O3-MgO-ZnO (AGMZO) multicomponent oxide thin films deposited with metal atomic ratios of 10, 60, 10 and 20 at.% for the Al, Ga, Mg and Zn, respectively, a high Voc of 0.98 V and an η of 4.82% were obtained. In addition, an enhanced η and an improved fill factor could be achieved in AZO/n-type multicomponent oxide/p-type Cu2O heterojunction solar cells fabricated using Na-doped Cu2O (Cu2O:Na) sheets that featured a resistivity controlled by optimizing the post-annealing temperature and duration. Consequently, an η of 6.25% and a Voc of 0.84 V were obtained in a MgF2/AZO/n-(Ga2O3-Al2O3)/p-Cu2O:Na heterojunction solar cell fabricated using a Cu2O:Na sheet with a resistivity of approximately 10 Ω·cm and a (Ga0.975Al0.025)2

  6. A novel solution-phase approach to nanocrystalline niobates: selective syntheses of Sr0.4H1.2Nb2O6.H2O nanopolyhedrons and SrNb2O6 nanorods photocatalysts.

    PubMed

    Liang, Shijing; Wu, Ling; Bi, Jinhong; Wang, Wanjun; Gao, Jian; Li, Zhaohui; Fu, Xianzhi

    2010-03-01

    A novel solution-phase route using Nb(2)O(5).nH(2)O as precursor was developed to selectively synthesize single-crystalline Sr(0.4)H(1.2)Nb(2)O(6).H(2)O nanopolyhedrons and SrNb(2)O(6) nanorods photocatalysts via simply adjusting pH values of the reactive solutions. PMID:20162143

  7. The electronic and optical properties of Al2O3, MO, and MAl2O4 (M = Zn, Mg).

    PubMed

    Zhang, Fang-Ying; Zeng, Z; You, J Q

    2010-08-01

    The electronic properties and the imaginary parts of the dielectric function for nanosized ZnAl2O4 and MgAl2O4 are studied compared with those of B4-ZnO, B1-MgO and alpha-Al2O3 using a first-principles pesudopotential plane-wave method. The results show that both the electronic structures and the optical spectra of ZnAl2O4 and MgAl2O4 are different from those of ZnO, MgO and Al2O3 due to the atomic rearrangement, which agrees with the experimental data. The insight mechanism is also discussed. PMID:21125922

  8. Tuning the conductance of H2O@C60 by position of the encapsulated H2O.

    PubMed

    Zhu, Chengbo; Wang, Xiaolin

    2015-01-01

    The change of conductance of single-molecule junction in response to various external stimuli is the fundamental mechanism for the single-molecule electronic devices with multiple functionalities. We propose the concept that the conductance of molecular systems can be tuned from inside. The conductance is varied in C60 with encapsulated H2O, H2O@C60. The transport properties of the H2O@C60-based nanostructure sandwiched between electrodes are studied using first-principles calculations combined with the non-equilibrium Green's function formalism. Our results show that the conductance of the H2O@C60 is sensitive to the position of the H2O and its dipole direction inside the cage with changes in conductance up to 20%. Our study paves a way for the H2O@C60 molecule to be a new platform for novel molecule-based electronics and sensors. PMID:26643873

  9. Ionic liquid-based hydrothermal synthesis of Lu2O3 and Lu2O3:Eu3+ microcrysals

    NASA Astrophysics Data System (ADS)

    Li, Yinyan; Xu, Shiqing

    2016-09-01

    Uniform and well-defined Lu2O3 and Lu2O3:Eu3+ microarchitectures have been successfully synthesized via a green and facile ionic liquid-based hydrothermal method followed by a subsequent calcination process. Novel 3D micro-rodbundles and 1D microrods of Lu2O3 and Lu2O3:Eu3+ were controllably obtained through this method. X-ray powder diffraction, scanning electron microscopy, transmission electron microscopy and photoluminescence spectra were used to characterize the micromaterials. The proposed formation mechanisms have been investigated on the basis of a series of SEM studies of the products obtained at different hydrothermal durations. The results indicated that hydrothermal temperature and the ionic liquid-tetrabutylammonium hydroxide were two key factors for the formation as well as the morphology control of the Lu2O3 and Lu2O3:Eu3+ microarchitectures.

  10. Tuning the conductance of H2O@C60 by position of the encapsulated H2O

    PubMed Central

    Zhu, Chengbo; Wang, Xiaolin

    2015-01-01

    The change of conductance of single-molecule junction in response to various external stimuli is the fundamental mechanism for the single-molecule electronic devices with multiple functionalities. We propose the concept that the conductance of molecular systems can be tuned from inside. The conductance is varied in C60 with encapsulated H2O, H2O@C60. The transport properties of the H2O@C60-based nanostructure sandwiched between electrodes are studied using first-principles calculations combined with the non-equilibrium Green’s function formalism. Our results show that the conductance of the H2O@C60 is sensitive to the position of the H2O and its dipole direction inside the cage with changes in conductance up to 20%. Our study paves a way for the H2O@C60 molecule to be a new platform for novel molecule-based electronics and sensors. PMID:26643873

  11. Tuning the conductance of H2O@C60 by position of the encapsulated H2O

    NASA Astrophysics Data System (ADS)

    Zhu, Chengbo; Wang, Xiaolin

    2015-12-01

    The change of conductance of single-molecule junction in response to various external stimuli is the fundamental mechanism for the single-molecule electronic devices with multiple functionalities. We propose the concept that the conductance of molecular systems can be tuned from inside. The conductance is varied in C60 with encapsulated H2O, H2O@C60. The transport properties of the H2O@C60-based nanostructure sandwiched between electrodes are studied using first-principles calculations combined with the non-equilibrium Green’s function formalism. Our results show that the conductance of the H2O@C60 is sensitive to the position of the H2O and its dipole direction inside the cage with changes in conductance up to 20%. Our study paves a way for the H2O@C60 molecule to be a new platform for novel molecule-based electronics and sensors.

  12. Calculation of Phase Equilibria in the Y2O3-Yb2O3-ZrO2 System

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan

    2001-01-01

    Rare earth oxide stabilized zirconias find a wide range of applications. An understanding of phase equilibria is essential to all applications. In this study, the available phase boundary data and thermodynamic data is collected and assessed. Calphad-type databases are developed to completely describe the Y2O3-ZrO2, Yb2O3-ZrO2, and Y2O3-Yb2O3 systems. The oxide units are treated as components and regular and subregular solution models are used. The resultant calculated phase diagrams show good agreement with the experimental data. Then the binaries are combined to form the database for the Y2O3-Yb2O3-ZrO2 psuedo-ternary.

  13. Selective oxidation of vinyl chloride on Ag2O(100), Cu2O(100), and Au2O(100) surfaces: A density functional theory study

    NASA Astrophysics Data System (ADS)

    Ren, Rui-Peng; Cheng, Lu; Lv, Yong-Kang

    2014-12-01

    Vinyl chloride (VC) is the simplest asymmetric olefin molecule and is greatly harmful to the environment and human health. To find an effective oxidation approach to decrease VC emission, the selective oxidation reaction of the VC molecule on Ag2O(100), Cu2O(100), and Au2O(100) surfaces has been investigated by using density functional theory in the present work. Five different reaction pathways in two steps on the three surfaces have been proposed and discussed. The result shows that the formation of chloroacetadehyde is more favored than the formation of chloroethylene epoxide and acetyl chloride, and the activation energy of chloroacetadehyde formation on the Ag2O(100) surface is lower than that on the other two surfaces.

  14. Effect of H2O, and combined effects of H2O + F, H2O + CO2, and H2O + F + CO2 on the viscosity of a natural basalt from Fuego volcano, Guatemala

    NASA Astrophysics Data System (ADS)

    Robert, G.; Whittington, A. G.; Knipping, J.; Scherbarth, S.; Stechern, A.; Behrens, H.

    2012-12-01

    We measured the viscosity of 5 series of remelted natural basalt from Fuego volcano, Guatemala. These series include single and multiple volatile species: H2O, F, H2O-F, H2O-CO2, and H2O-CO2-F. The hydrous glasses were synthesized at 3 kbar and 1250°C in Internally Heated Pressure Vessels. The multiple volatile series were synthesized at 5 kbar and 1250°C. CO2 was added as Ag2C2O4, F as AlF3, and H2O as distilled water. The anhydrous, F-bearing series was synthesized at 1 atm by simply remelting the Fuego basalt and adding F as CaF2.The natural, dry, remelted Fuego basalt has an NBO/T of 0.64. The following comparisons are based on parallel-plate viscosity measurements in the range ~108 to 1012 Pa s. The temperature at which the viscosity is 1012 Pa s (T12) is taken to be the viscosimetric glass transition temperature (Tg). The addition of 2 wt.% H2O results in a decrease of T12 of ~150°C for basalt. Fluorine on its own has a measurable, but much smaller effect, than the equivalent amount of water. Indeed, ~2 wt.% F results in a T12 depression of only ~30°C. When H2O and F are both present, their effects are approximately additive. For example, the viscosity of a basalt with 1.44 wt.% H2O is very similar to the viscosity of a basalt with ~1 wt.% H2O and ~1.25 wt.% F, and the viscosities of a basalt with 2.29 wt.% H2O and a basalt with ~1.65 wt.% H2O and ~1.3 wt.% F are also very similar. The effect of CO2 is somewhat ambiguous. The viscosity of a basalt with ~1.7 wt.% H2O, ~1.3 wt.% F and ~0.2 wt.% CO2 is essentially the same as the viscosity of a basalt with 2.29 wt.% H2O, so CO2 seems to have a negligible or even viscosity-increasing effect when F and H2O are also present. However, a basalt with ~0.84 wt.% H2O and ~0.09 wt.% CO2 has about the same viscosity as a basalt with 1.34 wt.% H2O, which could suggest a strong (viscosity-decreasing) effect of very small amounts of CO2. These results suggest that the effects on viscosity of F in basaltic systems are

  15. Photoelectrochemical properties of Fe2O3-Nb2O5 films prepared by sol-gel method.

    PubMed

    Miyake, Hidekazu; Kozuka, Hiromitsu

    2005-09-29

    Fe2O3-Nb2O5 coating films of various Nb/(Fe + Nb) mole ratios were prepared on nesa silica glass substrates from Fe(NO3)3.9H2O - NbCl5 - CH3(CH2)2CH2OH - CH3COOH solutions by the sol-gel method. The photoanodic properties were studied in a three-electrode cell with an aqueous buffer solution of pH = 7 as the supporting electrolyte. The crystalline phases identified were alpha-Fe2O3 (Nb/(Fe + Nb) = 0), alpha-Fe2O3 + FeNbO4 (Nb/(Fe + Nb) = 0.25), FeNbO4 (Nb/(Fe + Nb) = 0.5), FeNbO4 + Nb2O5 (Nb/(Fe + Nb) = 0.75), and Nb2O5 (Nb/(Fe + Nb) = 1). When the Nb/(Fe + Nb) mole ratio increased from 0 to 0.25, the crystalline phases changed from alpha-Fe2O3 to alpha-Fe2O3 + FeNbO4, the photoanodic current under white light illumination increased, and the photoanodic current under monochromatized light illumination increased in both visible and ultraviolet regions. When the Nb/(Fe + Nb) ratio increased over 0.25, the crystalline phases changed to FeNbO4, FeNbO4 + Nb2O5, or Nb2O5, and the photoanodic current decreased. The sample consisting of alpha-Fe2O3 and FeNbO4 (Nb/(Fe + Nb) = 0.25) exhibited photoresponse extending to 600 nm and an IPCE of 18% at a wavelength of 325 nm. PMID:16853304

  16. Evaluation of CaO-SiO2-P2O5-Na2O-Fe2O3 bioglass-ceramics for hyperthermia application.

    PubMed

    Singh, Rajendra Kumar; Srinivasan, A; Kothiyal, G P

    2009-12-01

    Magnetic bioglass ceramics (MBC) are being considered for use as thermoseeds in hyperthermia treatment of cancer. While the bioactivity in MBCs is attributed to the formation of the bone minerals such as crystalline apatite, wollastonite, etc. in a physiological environment, the magnetic property arises from the magnetite [Fe3O4] present in these implant materials. A new set of bioglasses with compositions 41CaO x (52-x)SiO2 x 4P2O5 x xFe2O3 x 3Na2O (2 < or = x < or = 10 mol% Fe2O3) have been prepared by melt quenching method. The as-quenched glasses were then heat treated at 1050 degrees C for 3 h to obtain the glass-ceramics. The structure and microstructure of the samples were characterized using X-ray diffraction and microscopy techniques. X-ray diffraction data revealed the presence of magnetite in the heat treated samples with x > or = 2 mol% Fe2O3. Room temperature magnetic property of the heat treated samples was investigated using a Vibrating Sample Magnetometer. Field scans up to 20 kOe revealed that the glass ceramic samples had a high saturation magnetization and low coercivity. Room temperature hysteresis cycles were also recorded at 500 Oe to ascertain the magnetic properties at clinically amenable field strengths. The area under the magnetic hysteresis loop is a measure of the heat generated by the MBC. The coercivity of the samples is another important factor for hyperthermia applications. The area under the loop increases with an increase in Fe2O3 molar concentration and the. coercivity decreases with an increase in Fe2O3 molar concentration The evolution of magnetic properties in these MBCs as a function of Fe2O3 molar concentration is discussed and correlated with the amount of magnetite present in them. PMID:18560766

  17. High-temperature heat capacity of stannates Pr2Sn2O7 and Nd2Sn2O7

    NASA Astrophysics Data System (ADS)

    Denisova, L. T.; Irtyugo, L. A.; Beletskii, V. V.; Denisov, V. M.

    2016-07-01

    Oxide compounds Pr2Sn2O7 and Nd2Sn2O7 have been obtained by solid-phase synthesis. The effect of temperature on the heat capacity of Pr2Sn2O7 (360-1045 K) and Nd2Sn2O7 (360-1030 K) has been studied using differential scanning calorimetry. The thermodynamic properties of the compounds (changes in enthalpy, entropy, and the reduced Gibbs energy) have been calculated by the experimental data of C p = f( T).

  18. Studies on the properties of Al2O3:Cr2O3 (50:50) thin film

    NASA Astrophysics Data System (ADS)

    Ponmudi, S.; Sivakumar, R.; Sanjeeviraja, C.

    2016-05-01

    Aluminium oxide (Al2O3) and chromium oxide (Cr2O3) thin films have received great attention of researchers because of their unique properties of corrosion/oxidation resistance and high dielectric constant. In addition, chromium aluminium oxide has been considered as a best candidate for deep-ultraviolet optical masks. In the present work, thin films of Al2O3:Cr2O3 (50:50) were deposited on pre-cleaned microscopic glass substrate by RF magnetron sputtering technique. The substrate temperature and RF power induced changes in structural, surface morphological, compositional and optical properties of the films have been studied.

  19. N2O fluxes at the soil-atmosphere interface in various ecosystems and the global N2O budget

    NASA Technical Reports Server (NTRS)

    Banin, Amos

    1987-01-01

    The overall purpose of this research task is to study the effects of soil properties and ecosystem variables on N2O exchanges at the soil-atmosphere interface, and to assess their effects on the globle N2O budget. Experimental procedures are implemented in various sites to measure the source/sink relations of N2O at the soil-atmosphere interface over prolonged periods of time as part of the research of biogeochemical cycling in terrestrial ecosystems. A data-base for establishing quantitative correlations between N2O fluxes and soil and environmental parameters that are of potential use for remote sensing, is being developed.

  20. Tropospheric N2O Isotopic Composition: Instrumentation Development and Initial Data for Reducing N2O Source and Sink Uncertainties

    NASA Astrophysics Data System (ADS)

    Potter, K. E.; Ono, S.; Greally, B.; Simmonds, P. G.; Young, D.; Prinn, R. G.

    2008-12-01

    Measurements of nitrous oxide isotopic composition in the troposphere provide a means for minimizing much of the uncertainty in the regional and global budgets of this important atmospheric species which arises predominately from biological sources in soils and oceans. Continuous atmospheric surface measurements of the concentration of N2O have provided an important resource in analysis of the budget through inversion studies. The utilization of these concentration data, however, has reached the limit of information that can be extracted about the N2O budget and leaves large uncertainty remaining. Combined with the isotopic signatures of N2O source and sink process end-members, isotopic N2O measurements in the troposphere will place added constraints on the budget. This research pursues N2O isotopomer analysis of tropospheric samples to trace the origin and fate of N2O in the atmosphere. Impediments regarding instrumentation have prevented pursuit of this line of research in the scientific community. Instrumentation developed by our group yields initial data for air samples from Boston, MA, which demonstrate the ability of N2O isotopic analysis to distinguish biospheric controls on N2O from stratosphere-troposphere exchange. Data from Boston are explored and applied alongside theoretical analysis of N2O isotopic composition in the troposphere to examine the ability of isotope data to lower uncertainty in particular related to the role of stratosphere-troposphere exchange, which is largely unknown in global budget estimates and forces uncertainty into current estimates of biosphere- atmosphere exchange.

  1. Synthesis and characterization of phosphates in molten systems Cs 2O-P 2O 5-CaO- MIII2O 3 ( MIII—Al, Fe, Cr)

    NASA Astrophysics Data System (ADS)

    Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Ogorodnyk, Ivan V.; Shishkin, Oleg V.

    2011-03-01

    The crystallization of complex phosphates from the melts of Cs 2O-P 2O 5-CaO- MIII2O 3 ( MIII—Al, Fe, Cr) systems have been investigated at fixed value Cs/P molar ratios equal to 0.7, 1.0 and 1.3 and Са/Р=0.2 and Ca/ МIII=1. The fields of crystallization of CsCaP 3O 9, β-Ca 2P 2O 7, Cs 2CaP 2O 7, Cs 3CaFe(P 2O 7) 2, Ca 9MIII(PO 4) 7 ( MIII—Fe, Cr), Cs 0.63Ca 9.63Fe 0.37(PO 4) 7 and CsCa 10(PO 4) 7 were determined. Obtained phosphates were investigated using powder X-ray diffraction and FTIR spectroscopy. Novel whitlockite-related phases CsCa 10(PO 4) 7 and Cs 0.63Ca 9.63Fe 0.37(PO 4) 7 have been characterized by single crystal X-ray diffraction: space group R3c, a=10.5536(5) and 10.5221(4) Å, с=37.2283(19) and 37.2405(17) Å, respectively.

  2. Transport Properties of 50Li2O-50B2O3 Glass

    NASA Astrophysics Data System (ADS)

    Kim, Hyun Chul; Girl Song, In

    2011-06-01

    The transport properties of 50Li2O-50B2O3 glass have been investigated. Time resolved current spectra (TRCS) showed repetitions of typical charge and discharge processes. The model circuit and equation for TRCS and the equation of the relationship between turning times of polarization (TTP) and configuration energy (CE) have been suggested. The results obtained using the equations were consistent with experimental results, and configuration energy and dipole length were obtained. The kink phenomenon showed that three or more types of charges participated in the polarization. Complex impedance spectra (CIS) consisted of the semi-arc and the spur due to the electrode-specimen polarization. The peak frequencies of complex modulus spectra (CMS) showing the non-Debye-type relaxations shifted to the high-frequency region as temperature increased, and the activation energy of relaxation was obtained. The migration concept (MC) was satisfied at the dispersion and peak regions, but slightly swerved in the tail part. The fractal dimensionality showed a three-dimensional character.

  3. N2O EMISSIONS FROM FOSSIL FUEL COMBUSTION

    EPA Science Inventory

    The paper discusses on- line measurements from six full-scale, coal-fired utility boilers that indicate direct N2O emissions of <5 ppm. Laboratory and pilot-scale experiments conducted to further characterize direct N2O emissions are consistent with the field data indicating on-l...

  4. Mixed Alkali Effect in (40-x)K2O-xLi2O-10Na2O-50B2O3 Glasses - Physical and Optical Absorption Studies

    NASA Astrophysics Data System (ADS)

    Samee, M. A.; Ahmmad, Shaikh Kareem; Taqiullah, Sair. Md.; Edukondalu, A.; Bale, Shashidhar; Rahman, Syed

    So far only a handful of publications have been concerned with the study of the mixed alkali effect in borate glasses containing three types of alkali ions. In the present work, the mixed alkali effect (MAE) has been investigated in the glass system (40-x) K2O-x Li2O -10Na2O-50B2O3.(0≤x≤40 mol%) through density and modulated DSC studies. The density and glass transition temperature of the present glasses varies non-linearly exhibiting mixed alkali effect. We report the mixed alkali effect in the present glasses through optical properties. From the absorption edge studies, the various values of optical band gap (Eo) and Urbach energy (ΔE) have been evaluated. The values of Eo and ΔE show non-linear behavior with compositional parameter showing the mixed alkali effect. The band gap energy based average electronic polarizability of oxide ions αO2-(Eo), optical basicity A(Eo), and Yamashita-Kurosawa’s interaction parameter A(Eo) have been examined to check the correlations among them and bonding character. Based on good correlation among electronic polarizability of oxide ions, optical basicity and interaction parameter, the present K2O- Li2O-Na2O-B2O3 glasses are classified as normal ionic (basic) oxides.

  5. Enhancement of solar absorption with black Cu2O Nanostructures

    NASA Astrophysics Data System (ADS)

    Xing, Hui; Hatch, John; Ji, Dengxin; Kort, Kenneth; Barman, Biplob; Tsai, Yu Tsung; Qin, Yueling; Banerjee, Sarbajit; Petrou, Athos; Gan, Qiaoqiang; Luo, Hong; Zeng, Hao

    2013-03-01

    Cu2O is a direct gap semiconductor with a band gap of 2.1 eV. It was considered to be a solar absorber material, while the application is hindered by its large band gap and weak stability. Here we report an electrochemical synthesis of Cu2O. By rationally control the synthetic parameters, we achieved two types of Cu2O: one of black color and the other ``normal'' red Cu2O. Both Cu2O films were in cubic phase and their crystal structures are almost identical as seen by X-ray diffraction. This is further corroborated by their nearly identical Raman spectra. The scanning tunneling spectrum (STS) revealed a gap in the red Cu2O around 2.1 eV and a significantly lowered gap of ~ 1.7 eV in the black Cu2O, indicating that the black color is caused by a change in the electronic structure. The reflectance and transmittance indicated a band gap of ~ 1.7 eV for the black Cu2O, with a significantly broadened absorption spectrum. While further effort is needed to understand the mechanism for the lowering of the band gap, we believe that our approach demonstrated means to promote earth abundant and nontoxic materials for potential photovoltaic applications through band gap engineering. Research supported by NSF DMR1104994.

  6. Hormetic Effect of H2O2 in Saccharomyces cerevisiae

    PubMed Central

    Valishkevych, Bohdana V.

    2016-01-01

    In this study, we investigated the relationship between target of rapamycin (TOR) and H2O2-induced hormetic response in the budding yeast Saccharomyces cerevisiae grown on glucose or fructose. In general, our data suggest that: (1) hydrogen peroxide (H2O2) induces hormesis in a TOR-dependent manner; (2) the H2O2-induced hormetic dose–response in yeast depends on the type of carbohydrate in growth medium; (3) the concentration-dependent effect of H2O2 on yeast colony growth positively correlates with the activity of glutathione reductase that suggests the enzyme involvement in the H2O2-induced hormetic response; and (4) both TOR1 and TOR2 are involved in the reciprocal regulation of the activity of glucose-6-phosphate dehydrogenase and glyoxalase 1. PMID:27099601

  7. N2O emissions from full-scale nitrifying biofilters.

    PubMed

    Bollon, Julien; Filali, Ahlem; Fayolle, Yannick; Guerin, Sabrina; Rocher, Vincent; Gillot, Sylvie

    2016-10-01

    A full-scale nitrifying biofilter was continuously monitored during two measurement periods (September 2014; February 2015) during which both gaseous and liquid N2O fluxes were monitored on-line. The results showed diurnal and seasonal variations of N2O emissions. A statistical model was run to determine the main operational parameters governing N2O emissions. Modification of the distribution between the gas phase and the liquid phase was observed related to the effects of temperature and aeration flow on the volumetric mass transfer coefficient (kLa). With similar nitrification performance values, the N2O emission factor was twice as high during the winter campaign. The increase in N2O emissions in winter was correlated to higher effluent nitrite concentrations and suspected increased biofilm thickness. PMID:27318446

  8. Theoretical characterization of the reaction NH2 + O yields products

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.

    1993-01-01

    The potential energy surface for NH2+O has been characterized using complete active space self-consistent field (CASSCF)/derivative calculations to determine stationary point geometries and frequencies followed by internally contracted configuration interaction (ICCI) calculations to determine the energetics. The calculations predict a NO bond strength of 85.8 kcal/mol for NH2O. The barrier for isomerization of NH2O to trans-HNOH is predicted to be 48.0 kcal/mol and the barriers for H+HNO forming NH2O and NHOH are predicted to be 2.1 and 8.3 kcal/mol, respectively (all corrected for zero-point energy). The computed heats of formation for NH2O and cis- and trans-HNOH are in good agreement with the present results. The barrier for H + HNO yields H2 + NO is computed to be about 0.3 kcal/mol.

  9. Single-crystalline nanoporous Nb2O5 nanotubes

    PubMed Central

    2011-01-01

    Single-crystalline nanoporous Nb2O5 nanotubes were fabricated by a two-step solution route, the growth of uniform single-crystalline Nb2O5 nanorods and the following ion-assisted selective dissolution along the [001] direction. Nb2O5 tubular structure was created by preferentially etching (001) crystallographic planes, which has a nearly homogeneous diameter and length. Dense nanopores with the diameters of several nanometers were created on the shell of Nb2O5 tubular structures, which can also retain the crystallographic orientation of Nb2O5 precursor nanorods. The present chemical etching strategy is versatile and can be extended to different-sized nanorod precursors. Furthermore, these as-obtained nanorod precursors and nanotube products can also be used as template for the fabrication of 1 D nanostructured niobates, such as LiNbO3, NaNbO3, and KNbO3. PMID:21711650

  10. Single-crystalline nanoporous Nb2O5 nanotubes.

    PubMed

    Liu, Jun; Xue, Dongfeng; Li, Keyan

    2011-01-01

    Single-crystalline nanoporous Nb2O5 nanotubes were fabricated by a two-step solution route, the growth of uniform single-crystalline Nb2O5 nanorods and the following ion-assisted selective dissolution along the [001] direction. Nb2O5 tubular structure was created by preferentially etching (001) crystallographic planes, which has a nearly homogeneous diameter and length. Dense nanopores with the diameters of several nanometers were created on the shell of Nb2O5 tubular structures, which can also retain the crystallographic orientation of Nb2O5 precursor nanorods. The present chemical etching strategy is versatile and can be extended to different-sized nanorod precursors. Furthermore, these as-obtained nanorod precursors and nanotube products can also be used as template for the fabrication of 1 D nanostructured niobates, such as LiNbO3, NaNbO3, and KNbO3. PMID:21711650

  11. Treatment of N2O in pulsed microwave torch discharge

    NASA Astrophysics Data System (ADS)

    Jasiński, M.; Czylkowski, D.; Zakrzewski, Z.; Mizeraczyk, J.

    2004-03-01

    Results of using a moderate-power (several hundred Watts) pulsed microwave torch plasma (MTP) to the conversion of atmospheric-pressure nitrous oxide (N2O) into nitrogen oxides (NO, NO2 and N2O4) are presented. The pulsed regime allowed to decrease the average power used, resulting in a higher value of energy efficiency by about 10% (reaching several hundred g[N2O]/kWh) at the same efficiency of the decomposition of N2O (70÷90%) as at the continuous operation of MTP. The removal rate increased up to 200 g[N2O]/h. The obtained results suggest the pulsed MTP promising for efficient decomposition of various gaseous pollutants, e.g. fluorocarbons.

  12. Isotopic Monitoring of N2O Emissions from Wastewater Treatment: Evidence for N2O Production Associated with Anammox Metabolism?

    NASA Astrophysics Data System (ADS)

    Harris, E. J.; Wunderlin, P.; Joss, A.; Emmenegger, L.; Kipf, M.; Wolf, B.; Mohn, J.

    2015-12-01

    Microbial production is the major source of N2O, the strongest greenhouse gas produced within the nitrogen cycle, and the most important stratospheric ozone destructant released in the 21st century. Wastewater treatment is an important and growing source of N2O, with best estimates predicting N2O emissions from this sector will have increased by >25% by 2020. Novel treatment employing partial nitritation-anammox, rather than traditional nitrification-denitrification, has the potential to achieve a neutral carbon footprint due to increased biogas production - if N2O production accounts for <0.5-1% of total nitrogen turnover. As a further motivation for this research, microbial pathways identified from wastewater treatment can be applied to our understanding of N cycling in the natural environment. This study presents the first online isotopic measurements of offgas N2O from a partial-nitritation anammox reactor 1. The measured N2O isotopic composition - in particular the N2O isotopic site preference (SP = δ15Nα - δ15Nβ) - was used to understand N2O production pathways in the reactor. When N2O emissions peaked due to high dissolved oxygen concentrations, low SP showed that N2O was produced primarily via nitrifier denitrification by ammonia oxidizing bacteria (AOBs). N2O production by AOBs via NH2OH oxidation, in contrast, did not appear to be important under any conditions. Over the majority of the one-month measurement period, the measured SP was much higher than expected following our current understanding of N2O production pathways 2. SP reached 41‰ during normal operating conditions and achieved a maximum of 45‰ when nitrite was added under anoxic conditions. These results could be explained by unexpectedly strong heterotrophic N2O reduction despite low dissolved organic matter concentrations, or by an incomplete understanding of isotopic fractionation during N2O production from NH2OH oxidation by AOBs - however the explanation most consistent with all

  13. Evaluation to the effect of B2O3-La2O3-SrO-Na2O-Al2O3 bonding agent on Ti6Al4V-porcelain bonding.

    PubMed

    Zhao, C Q; Wu, S Q; Lu, Y J; Gan, Y L; Guo, S; Lin, J J; Huang, T T; Lin, J X

    2016-10-01

    Low-fusing bonding agents have been widely applied in Ti-ceramics restorations. As an important category, borate bonding agents have great potentials in increasing Ti-porcelain bonding. The purpose of this study is to evaluate the effect of borate bonding agent with addition of Na2O and Al2O3 on Ti6Al4V-porcelain bonding. The thermal properties of borate bonding agent, such as glass transition temperature (Tg) and crystallization peak temperature (Tp), were investigated to establish the sintering process. And the coefficient of thermal expansion (CTE) was to evaluate the matching effect of porcelain to Ti6Al4V. The bond strength was analyzed by the three point bending test. The microscopic morphology of the borate bonding agent surface after sintering, the interface of Ti-borate bonding agent-porcelain, and the fracture mode after porcelains fracture, were studied to assess the influence of borate bonding agent on Ti6Al4V-ceramics. With the addition of Na2O and Al2O3, the porcelain residues were observed increased indication on the Ti6Al4V surface after porcelain fracture and the bond strength was acquired the maximum (49.45MPa) in the bonding agent composition of 75.70B2O3-5.92La2O3-11.84SrO-4.67Na2O-1.87Al2O3. Those results suggest that borate bonding agent is an effective way to improve the Ti6Al4V-ceramics bond strength. And the addition of Na2O and Al2O3 strengthen this effect. PMID:27344231

  14. UV-induced N2O emission from plants

    NASA Astrophysics Data System (ADS)

    Bruhn, Dan; Albert, Kristian R.; Mikkelsen, Teis N.; Ambus, Per

    2014-12-01

    Nitrous oxide (N2O) is an important long-lived greenhouse gas and precursor of stratospheric ozone-depleting mono-nitrogen oxides. The atmospheric concentration of N2O is persistently increasing; however, large uncertainties are associated with the distinct source strengths. Here we investigate for the first time N2O emission from terrestrial vegetation in response to natural solar ultra violet radiation. We conducted field site measurements to investigate N2O atmosphere exchange from grass vegetation exposed to solar irradiance with and without UV-screening. Further laboratory tests were conducted with a range of species to study the controls and possible loci of UV-induced N2O emission from plants. Plants released N2O in response to natural sunlight at rates of c. 20-50 nmol m-2h-1, mostly due to the UV component. The emission response to UV-A is of the same magnitude as that to UV-B. Therefore, UV-A is more important than UV-B given the natural UV-spectrum at Earth's surface. Plants also emitted N2O in darkness, although at reduced rates. The emission rate is temperature dependent with a rather high activation energy indicative for an abiotic process. The prevailing zone for the N2O formation appears to be at the very surface of leaves. However, only c. 26% of the UV-induced N2O appears to originate from plant-N. Further, the process is dependent on atmospheric oxygen concentration. Our work demonstrates that ecosystem emission of the important greenhouse gas, N2O, may be up to c. 30% higher than hitherto assumed.

  15. Effects of architectures and H2O2 additions on the photocatalytic performance of hierarchical Cu2O nanostructures

    NASA Astrophysics Data System (ADS)

    Deng, Xiaolong; Zhang, Qiang; Zhao, Qinqin; Ma, Lisha; Ding, Meng; Xu, Xijin

    2015-01-01

    Cu2O hierarchical nanostructures with different morphologies were successfully synthesized by a solvothermal method using copper (II) nitrate trihydrate (Cu(NO3)2ṡ3H2O) and ethylene glycol (EG) as initial reagents. The obtained nanostructures were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET) specific surface area test, and UV-vis spectroscopy. The synthesis conditions (copper source, temperature, and reaction time) dominated the compositions and the formation of crystals with different morphologies. The visible light photocatalytic properties of as-prepared Cu2O nanostructures were investigated with and without hydrogen peroxide (H2O2), and the effect of H2O2 were evaluated by monitoring the degradation of methyl orange (MO) with various amounts of H2O2. It was revealed that the degree of the photodegradation of MO depends on the amount of H2O2 and the morphology of Cu2O.

  16. Biologically produced volatile compounds: N2O emissions from the soil and the N2O global budget

    NASA Technical Reports Server (NTRS)

    Banin, A.; Whitten, R.; Livingston, G.; Lawless, J.

    1985-01-01

    N2O dynamics were studied at the soil-atmosphere interface and their effects on the global N2O budget. Troposphere nitrous oxide (N2O) concentration has increased by 0.2 to 0.4 pct. per year over the period 1975 to 1982, amounting to a net addition to the atmosphere of 2.8 to 5.6 Tg N2O-N per year. This perturbation, if continued into the future, will affect stratospheric chemical cycles, and the thermal balance of the Earth. In turn it will have direct and indirect global effects on the biosphere. The only well documented heat sinks identified to date are the stratospheric photolytic decomposition processes. However, quantitatively, they do not account for all the known sources. Emission from soils is the least understood and most variable component in the N2O budget. An automated field station that will measure N2O fluxes and interchanges over long periods of time is being developed. At each station, the source/sink relations of N2O at the soil-atmosphere interface will be measured and their relations to environmental conditions are documented and quantified. The results from the perennial measurements will generate the data base on which global budgets for N2O will be constructed and related to ecosystem parameters.

  17. ACIDIFICATION OF RAIN IN THE PRESENCE OF SO2, H2O2, O3, AND HNO3

    EPA Science Inventory

    The production of acid sulfate and the accumulation of acid nitrate are calculated for falling raindrops using a physico-chemical model that accounts for the mass transfer of SO2, H2O2, O3, HNO3, and CO2. The acidification is postulated to occur through the absorption of free gas...

  18. Superior high-temperature oxidation resistance of a novel (Al2O3-Y2O3)/Pt laminated coating

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoxu; He, Yedong; Wang, Deren; Zhang, Jin

    2012-03-01

    A 7-layer (Al2O3-Y2O3)/Pt laminated coating was successfully prepared on a Ni-based superalloy by magnetron sputtering methods. It is observed that the as-prepared coating has dense and refined brittle/ductile laminated nanostructure. Cyclic oxidation tests were adopted to investigate the oxidation and spallation resistance of this novel laminated coating. The results revealed that the 7-layer (Al2O3-Y2O3)/Pt laminated coating can significantly improve the high-temperature oxidation resistance and spallation resistance of the Ni-based superalloy. In such laminated coating, the multi-sealed (Al2O3-Y2O3) and Pt layers can effectively suppress the inward diffusion of oxygen to an extremely low level, providing super oxidation resistance at 1200 °C for 1000 h. In addition, the excellent high-temperature mechanical properties of the (Al2O3-Y2O3)/Pt laminated coating are mainly induced by the increased thermal expansion coefficient and the brittle/ductile laminated composite structure by means of energy release mechanisms.

  19. Infrared Spectroscopy of (N_2O)_n^- and (N_2O)mO^- Cluster Anions

    NASA Astrophysics Data System (ADS)

    Thompson, Michael C.; Weber, J. Mathias

    2015-06-01

    We report infrared photodissociation spectra of nitrous oxide cluster anions, (N_2O)_n^- (n=7-11) and (N_2O)mO^- (m=1-13). Structural changes of the charge carrier in the clusters are driven by increasing levels of solvation. The spectra are interpreted by comparison with quantum chemical calculations.

  20. Electronic properties of compounds of the Li{sub 2}O-B{sub 2}O{sub 3} system

    SciTech Connect

    Maslyuk, Volodymyr V.; Islam, Mazharul M.; Bredow, Thomas

    2005-09-15

    The electronic properties of (Li{sub 2}O){sub x}(B{sub 2}O{sub 3}){sub 1-x} (x=0.0, 0.25, 0.33, 0.5, 0.75, and 1.0) compounds were studied by periodic quantum-chemical calculations at density functional theory level using localized atomic basis functions. A good agreement between calculated and measured values of the band gap was obtained for Li{sub 2}O. The band gaps were predicted for other compounds of the Li{sub 2}O-B{sub 2}O{sub 3} system where less reliable experimental data are available. The calculated band gap of (Li{sub 2}O){sub x}(B{sub 2}O{sub 3}){sub 1-x} decreases with increasing mole fraction x of Li{sub 2}O. This was interpreted by the decreasing bonding interaction between BO{sub n} groups. By an analysis of the electron density distribution, it was shown that in all systems under consideration the B-O bonds are mainly covalent, and that B-O bonds in BO{sub 3} units are stronger than in BO{sub 4}. The Li-O interaction is predominantly ionic.

  1. N2O - direct versus indirect effects on emissions

    NASA Astrophysics Data System (ADS)

    Zechmeister-Boltenstern, Sophie; Kitzler, Barbara

    2013-04-01

    The concentration of N2O in the atmosphere is much lower than that of CO2, but it is an important GHG because on an equivalent mass basis, N2O has c. 300 times the global warming potential of CO2. In addition to being a strong GHG, N2O is the primary stratospheric ozone depleting substance. The dominant sources of N2O are closely related to microbial production processes in soils, sediments and water bodies. Agricultural emissions due to N fertilizer use and manure management (4.3-5.8 Tg N2O-N yr-1) and emissions from natural soils (6-7 Tg N2O-N yr-1) are already representing 56-70% of all global N2O sources. The main agricultural sources of nitrous oxide include emissions from soils after application of inorganic and organic forms of nitrogen (N) as synthetic fertilizers, crop residues, manures or composts. Livestock operations also result in emissions from urine and faeces deposited on soils during grazing. In addition to the direct sources of N2O, there are also indirect ones that include N deposited onto land surfaces following ammonia and NOx volatilization, and nitrate leached from agricultural land in drainage water which, on passing into aquifers or into surface waters and their sediments, can be partially transformed to N2O (Smith et al., 2012). For inventories a default emission factor (EF) of 1.0 % of N fertilizer application has been fixed. The default indirect EFs are 1.0 % of N deposited from the atmosphere, and 0.75 % of N lost to watercourses by leaching or runoff. Depending on fertilizer type and environmental conditions field measurements reveal emission factors which deviate largely from the theoretical values. As soil moisture and temperature are major drivers of N2O emissions, warming and precipitation changes strongly affect the emission of N2O. More difficult is the prediction of climate extremes and their feedback on N2O which may occur via soil processes as well as limitations for plant growth and N uptake. Based on examples of recent

  2. Seasonal variation of N2O emissions in France inferred from atmospheric N2O and 222Rn measurements

    NASA Astrophysics Data System (ADS)

    Lopez, M.; Schmidt, M.; Yver, C.; Messager, C.; Worthy, D.; Kazan, V.; Ramonet, M.; Bousquet, P.; Ciais, P.

    2012-07-01

    Nitrous oxide (N2O) concentrations and 222Rn activities are measured semi-continuously at three stations in France: Gif-sur-Yvette (a semi-urban station near Paris), Trainou tower (a rural station) and Puy-de-Dôme (a mountain site). From 2002 to 2011, we have found a mean rate of N2O increase of 0.7 pbb a-1. The analysis of the mean diurnal N2O and 222Rn cycles shows maximum variabilities at the semi-urban site of Gif-sur-Yvette (0.96 ppb for N2O and 2 Bq m-3 for 222Rn) compared to the rural site of Trainou tower (0.32 ppb for N2O and 1.3 Bq m-3 for 222Rn). The use of 222Rn as a tracer for vertical mixing and atmospheric transport, combined with the semi-continuous N2O measurements, allows estimation of N2O emissions by applying the Radon-Tracer-Method. Mean N2O emissions values between 0.34 ± 0.12 and 0.51 ± 0.18 g(N2O) m-2 a-1 and 0.52 ± 0.18 g(N2O) m-2 a-1were estimated in the catchment area of Gif-sur-Yvette and Trainou, respectively. The mean annual N2O fluxes at Gif-sur-Yvette station correlate well with annual precipitation. A 25% increase in precipitation corresponds to a 32% increase in N2O flux. The N2O fluxes calculated with the Radon-Tracer-Method show a seasonal cycle, which indicates a strong contribution from the agricultural source, with the application of fertilizers in the early spring inducing a strong increase in N2O emissions. Finally, the results of the Radon-Tracer-Method agree well with the national and global emission inventories, accounting for the uncertainties of both methods.

  3. Acidification of rain in the presence of SO2, H2O2, O3, and HNO3

    SciTech Connect

    Overton, J.H. Jr; Durham, J.L.

    1982-01-01

    The production of acid sulfate and the accumulation of acid nitrate are calculated for falling raindrops using a physico-chemical model that accounts for the mass transfer of SO2, H2O2, O3, HNO3, and CO2. The acidification is postulated to occur through the absorption of free gaseous HNO3 and the absorption and reaction of SO2, H2O2, and O3 to yield H2SO4. Investigated are the relative effectivness of H2O2(aq) and O3(aq) for oxidizing SO2(aq) to yield H(+1) and SO-2(-2), and the role of HNO3(aq) in acidifying raindrops and influencing SO4(-2) formation. Results indicate: that H2O2 is more effective than O3, HNO3 inhibits SO4(-2) formation due to O3 oxidation, and in all cases, HNO3 is important in acidifying rain.

  4. Upconversion luminescence in Er3+/Yb3+ codoped PbO-Bi2O3-AI2O3-B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Appa Rao, B.; Raja Rao, Y.; Krishnamurthy Goud, K.; Srinivas, M.

    2015-02-01

    Er3+/Yb3+ co-doped glasses with the composition PbO-Bi2O3-Al2O3-B2O3 were prepared by melt quenching method. Optical absorption (OA) and photoluminescence (PL) and FT-IR spectra of all the glasses were recorded at room temperature. Green and red upconversion emissions centered at 525, 545 and 654 nm corresponding to 2H11/2 → 4I15/2, 4S3/2 → 4I15/2 and 4F9/2 → 4I15/2 transitions of Er3+ ions have been obtained under the excitation of 980 nm laser at room temperature. From emission spectra it was observed that the intensity of red emission increases with increasing the concentration of Er3+ ions upto 0.8 mol% and decreases with the further increase in the concentration of Er3+ ions. The spectra have been analyzed in the light of structural modifications in the vicinity of the dopant rare earth ions, due to relative variations in the concentration of Al2O3 and B2O3 in the glass network.

  5. Structural and magnetic characterization of the ball-milled α-Fe 2O 3-Mn 2O 3 and α-Fe-Mn 2O 3 systems

    NASA Astrophysics Data System (ADS)

    de Medeiros, S. N.; Luciano, A.; Cótica, L. F.; Santos, I. A.; Paesano, A.; da Cunha, J. B. M.

    2004-10-01

    In this work, the (Fe2O3)x(Mn2O3)1-x and Fey(Mn2O3)1-y systems were mechanically processed in a high-energy ball-mill. The as-milled powders were structurally and magnetically characterized by X-ray diffraction, Mössbauer spectroscopy and magnetic measurements. Under similar milling settings and conditions, dissimilar behaviors were observed in the studied systems. In the oxide-oxide system, only the bixbyite (Mn,Fe)2O3 phase was obtained in all the analysed samples, whereas in the metal-oxide system, a sharp compositional dependence for the final milling products was observed. For y⩽0.40, the FeMn2O4 spinel phase was detected and, for y>0.40, a wustite-like phase of the (Fe, Mn)1-yO type was formed. It was observed that magnetization in both systems increased with the nominal concentration, x or y, of the magnetic precursors, up to half of the concentration maximum and then it decreased as a result of structural phase transformations.

  6. State-selective energy transfer from Er3+ to Eu3+ in Bi2O3-GeO2-Ga2O3-Na2O glasses.

    PubMed

    Wang, Jun; Zhou, Yaxun; Dai, Shixun; Xu, Tiefeng; Nie, Qiuhua

    2009-02-01

    The Eu(3+) ion was introduced into Er(3+) doped Bi(2)O(3)-GeO(2)-Ga(2)O(3)-Na(2)O (BGGN) glasses to improve the 1.5 microm band emission. As a function of Eu(2)O(3) doped content, we observed the increase in non-radiative decay rate of Er(3+) not only (4)I(11/2) energy level but also (4)I(13/2) energy level, while the lifetime of Er(3+):(4)I(11/2) and (4)I(13/2) levels were shortened from 607 to 241 micros and from 3.37 to 1.88 ms, respectively. Accordingly, the upconversion fluorescence (green and red) was quenched. The total quantum efficiency of the Er(3+):(4)I(13/2) increased with the Eu(2)O(3) content increasing up to 0.2 mol% due to the state-selective energy transfer from Er(3+) to Eu(3+). PMID:19010716

  7. Influence of isotopic disorder on solid state amorphization and polyamorphism in solid H2O -D2O solutions

    NASA Astrophysics Data System (ADS)

    Gromnitskaya, E. L.; Danilov, I. V.; Lyapin, A. G.; Brazhkin, V. V.

    2015-10-01

    We present a low-temperature and high-pressure ultrasonic study of elastic properties of isotopic H2O-D2O solid solutions, comparing their properties with those of the isotopically pure H2O and D2O ices. Measurements were carried out for solid state amorphization (SSA) from 1h to high-density amorphous (HDA) ice upon compression up to 1.8 GPa at 77 K and for the temperature-induced (77 -190 K ) u-HDA (unrelaxed HDA) → e-HDA (expanded HDA) → low-density amorphous (LDA )→1 c cascade of ice transformations near room pressure. There are many similarities in the elasticity behaviour of H2O ,D2O , and H2O-D2O solid solutions, including the softening of the shear elastic modulus as a precursor of SSA and the HDA →LDA transition. We have found significant isotopic effects during H/D substitution, including elastic softening of H2O -D2O solid solutions with respect to the isotopically pure ices in the case of the bulk moduli of ices 1c and 1h and for both bulk and shear elastic moduli of HDA ice at high pressures (>1 GPa ) . This softening is related to the configurational isotopic disorder in the solid solutions. At low pressures, the isotope concentration dependence of the elastic moduli of u-HDA ice changes remarkably and becomes monotonic with pronounced change of the bulk modulus (≈20 %) .

  8. Novel gold nanocluster electrochemiluminescence immunosensors based on nanoporous NiGd-Ni2O3-Gd2O3 alloys.

    PubMed

    Lv, Xiaohui; Ma, Hongmin; Wu, Dan; Yan, Tao; Ji, Lei; Liu, Yixin; Pang, Xuehui; Du, Bin; Wei, Qin

    2016-01-15

    Herein, three-dimensional nanoporous NiGd alloy (NP-NiGd) was prepared by selectively dealloy Al from NiGdAl alloy in mild alkaline solution, then Ni2O3 and Gd2O3 grew further on the surface of NP-NiGd to obtain the NP-NiGd-Ni2O3-Gd2O3. On this basis, NP-NiGd-Ni2O3-Gd2O3 was further functionalized with gold nanoparticles (NP-NiGd-Ni2O3-Gd2O3@Au) and acted as sensor platform to fabricate a novel electrochemiluminescence (ECL) immunosensor. Bovine serum albumin protected gold nanoclusters (AuNCs@BSA) were prepared and acted as illuminant. AuNCs@BSA modified graphene oxide (GO/AuNCs@BSA) were used as labels of second antibody. In order to characterize the performance of the ECL immunosensor, carcino embryonie antigen (CEA) was used as the model to complete the experiments. Due to the good performances of NP-NiGd-Ni2O3-Gd2O3@Au (high surface area, excellent electron conductivity) and AuNCs@BSA (low toxicity, biocompatibility, easy preparation and good water solubility), the ECL immunosensor exhibited a wide range from 10(-4) to 5ng/mL with a detection limit of 0.03pg/mL (S/N=3). The immunosensor with excellent stability, acceptable repeatability and selectivity provided a promising method to detect CEA in human serum sample sensitively. PMID:26318782

  9. Uncertainties in United States agricultural N2O emissions: comparing forward model simulations to atmospheric N2O data.

    NASA Astrophysics Data System (ADS)

    Nevison, C. D.; Saikawa, E.; Dlugokencky, E. J.; Andrews, A. E.; Sweeney, C.

    2014-12-01

    Atmospheric N2O concentrations have increased from 275 ppb in the preindustrial to about 325 ppb in recent years, a ~20% increase with important implications for both anthropogenic greenhouse forcing and stratospheric ozone recovery. This increase has been driven largely by synthetic fertilizer production and other perturbations to the global nitrogen cycle associated with human agriculture. Several recent regional atmospheric inversion studies have quantified North American agricultural N2O emissions using top-down constraints based on atmospheric N2O data from the National Oceanic and Atmospheric Administration (NOAA) Global Greenhouse Gas Reference Network, including surface, aircraft and tall tower platforms. These studies have concluded that global N2O inventories such as EDGAR may be underestimating the true U.S. anthropogenic N2O source by a factor of 3 or more. However, simple back-of-the-envelope calculations show that emissions of this magnitude are difficult to reconcile with the basic constraints of the global N2O budget. Here, we explore some possible reasons why regional atmospheric inversions might overestimate the U.S. agricultural N2O source. First, the seasonality of N2O agricultural sources is not well known, but can have an important influence on inversion results, particularly when the inversions are based on data that are concentrated in the spring/summer growing season. Second, boundary conditions can strongly influence regional inversions but the boundary conditions used may not adequately account for remote influences on surface data such as the seasonal stratospheric influx of N2O-depleted air. We will present a set of forward model simulations, using the Community Land Model (CLM) and two atmospheric chemistry tracer transport models, MOZART and the Whole Atmosphere Community Climate Model (WACCM), that examine the influence of terrestrial emissions and atmospheric chemistry and dynamics on atmospheric variability in N2O at U.S. and

  10. CO Diffusion into Amorphous H2O Ices

    NASA Astrophysics Data System (ADS)

    Lauck, Trish; Karssemeijer, Leendertjan; Shulenberger, Katherine; Rajappan, Mahesh; Öberg, Karin I.; Cuppen, Herma M.

    2015-03-01

    The mobility of atoms, molecules, and radicals in icy grain mantles regulates ice restructuring, desorption, and chemistry in astrophysical environments. Interstellar ices are dominated by H2O, and diffusion on external and internal (pore) surfaces of H2O-rich ices is therefore a key process to constrain. This study aims to quantify the diffusion kinetics and barrier of the abundant ice constituent CO into H2O-dominated ices at low temperatures (15-23 K), by measuring the mixing rate of initially layered H2O(:CO2)/CO ices. The mixed fraction of CO as a function of time is determined by monitoring the shape of the infrared CO stretching band. Mixing is observed at all investigated temperatures on minute timescales and can be ascribed to CO diffusion in H2O ice pores. The diffusion coefficient and final mixed fraction depend on ice temperature, porosity, thickness, and composition. The experiments are analyzed by applying Fick’s diffusion equation under the assumption that mixing is due to CO diffusion into an immobile H2O ice. The extracted energy barrier for CO diffusion into amorphous H2O ice is ˜160 K. This is effectively a surface diffusion barrier. The derived barrier is low compared to current surface diffusion barriers in use in astrochemical models. Its adoption may significantly change the expected timescales for different ice processes in interstellar environments.

  11. Structural and optical properties of 60B2O3-(20-x)Na2O-10PbO-10Al2O3:xTiO2:yNd2O3 glasses

    NASA Astrophysics Data System (ADS)

    de Souza, N. C. A.; Santos, C. C.; Guedes, I.; Dantas, N. O.; Vermelho, M. V. D.

    2013-10-01

    In this work we investigate the effect of replacing Na2O by TiO2 on the structural and spectroscopic characteristics of the Nd2O3-doped 60B2O3-(20-x)Na2O-10PbO-10Al2O3:xTiO2:yNd2O3 borate glass matrix. Measurements of X-ray patterns, glass temperatures (Tg), vibrational (Raman and infrared (IR)) and optical (absorption and emission) spectra were carried out. The trend of Tg, the Judd-Ofelt parameters and Nephelauxetic ratio as the TiO2 and Nd2O3 concentration increases was interpreted quantitatively and qualitatively in terms of the network bonds and coordination numbers. Measurements of Tg across the Nd-doped glass series for different levels of Ti suggests changes in the rigidity of the matrix due to change of coordination of boron oxide resulting from the BO4-BO3 back conversion effect. The changes observed in the Raman and IR spectra are related to the BO3 → BO4 conversion effect. The variation of the Judd-Ofelt parameters Ω and Ω indicates that the average rare earth-ligand radius decreases establishing an electronic density distribution when Nd3+ concentration increases. This effect is interpreted in terms of Judd-Ofelt parameters and by the bonding parameter b due to Nephelauxetic effect.

  12. Silver indium diphosphate, AgInP(2)O(7).

    PubMed

    Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen

    2010-01-01

    Polycrystalline material of the title compound, AgInP(2)O(7), was synthesized by traditional high-temperature solid-state methods and single crystals were grown from the melt of a mixture of AgInP(2)O(7) and B(2)O(3) as flux in a platinium crucible. The structure consists of InO(6) octa-hedra, which are corner-shared to PO(4) tetra-hedra into a three-dimensional network with hexa-gonal channels running parallel to the c axis. The silver cation, located in the channel, is bonded to seven O atoms of the [InP(2)O(7)] framework with Ag-O distances ranging from 2.370 (2) to 3.015 (2) Å. The P(2)O(7) diphosphate anion is characterized by a P-O-P angle of 137.27 (9) and a nearly eclipsed conformation. AgInP(2)O(7) is isotypic with the M(I)FeP(2)O(7) (M(I) = Na, K, Rb, Cs and Ag) diphosphate family. PMID:21522510

  13. NOAA's Global Network of N2O Observations

    NASA Astrophysics Data System (ADS)

    Dlugokencky, E. J.; Crotwell, A. M.; Crotwell, M.; Masarie, K. A.; Lang, P. M.; Dutton, G. S.; Hall, B. D.

    2014-12-01

    Nitrous oxide has surpassed CFC-12 to become the third largest contributor to radiative forcing. When climate impacts for equal emitted masses of N2O and CO2 are integrated over 100 years, N2O impacts are about 300 times greater than those of CO2. Increasing the atmospheric burden of N2O also decreases the abundance of O3 in the stratosphere. With reductions in emissions of ODSs as a result of the Montreal Protocol, N2O now has the largest ODP-weighted emissions of all gases. Given its long lifetime of about 130 years, today's emissions will impact climate and stratospheric O3 for a long time. Because emission rates are very small and spread over enormous areas, the detailed N2O budget has large uncertainties. It also means measurement requirements on precision and accuracy are stringent, especially for the background atmosphere. The Carbon Cycle Group of NOAA ESRL's Global Monitoring Division began measuring N2O in discrete air samples collected as part of its global cooperative air sampling network in 1998. Data from about 60 air sampling sites provide important constraints on the large-scale budget of N2O and provide boundary conditions for continental and regional-scale studies. This presentation will briefly describe the procedures used to ensure the data are of sufficient quality to meet scientific demands, and describe remaining limitations. Although sampling is infrequent (weekly), the data are quite useful in N2O budget studies. Examples will be given of large scale constraints on N2O's budget, including the global burden, trends in the burden, global emissions, spatial distributions, vertical gradients, and seasonal patterns.

  14. Nitrogen fertiliser formulation: The impact on N2O emissions

    NASA Astrophysics Data System (ADS)

    Harty, Mary; Krol, Dominika; Carolan, Rachael; McNeill, Gavin; McGeough, Karen; Laughlin, Ronnie; Watson, Catherine; Richards, Karl; Lanigan, Gary; Forrestal, Patrick

    2015-04-01

    Agriculture was responsible for 31% of Ireland's Agricultural Greenhouse Gas (GHG) emissions in 2012, with 39% of these emissions arising from chemical/organic fertilizers in the form of nitrous oxide (N2O). Switching from calcium ammonium nitrate (CAN) to a urea based fertiliser limits the soil residence period of nitrate, the major substrate for denitrification loss in the N2O form. However, urea is susceptible to ammonia (NH3) volatilisation but this risk can be managed using urease inhibitors. The aim of this study was to evaluate the effect of switching from CAN to urea, urea with the urease inhibitor N- (n-butyl) thiophosphoric triamide (trade name Agrotain®) and/or the nitrification inhibitor dicyandiamide (DCD on direct and indirect N2O emissions. The experiment is a two year study (commenced March 2013) at six permanent pasture sites located on the island of Ireland, at Johnstown Castle Co. Wexford, Moorepark Co. Cork and Hillsborough Co. Down, covering a range of soil textures and drainage characteristics. The experiment simulated a grazing environment; annual fertiliser N was applied at different rates (0, 100, 200, 300, 400 or 500 kg N ha-1) in five equal splits, with grass harvested prior to fertilizer application. Direct N2O emissions were quantified regularly using static chambers over 1 year and indirect N2O from ammonia volatilisation was measured using wind tunnels and annual emission factors calculated. Switching from CAN to urea dramatically reduced direct N2O emissions, but had little effect on dry-matter yield. However, there was evidence of pollution swapping of direct for indirect N2O from NH3. In the first year, two urea based formulations successfully reduced both direct and indirect N2O emissions at all sites. Fertiliser formulation strategy has the potential to be a solution for reduction of direct and indirect N2O emissions.

  15. Pyruvate Protects Pathogenic Spirochetes from H2O2 Killing

    PubMed Central

    Troxell, Bryan; Zhang, Jun-Jie; Bourret, Travis J.; Zeng, Melody Yue; Blum, Janice; Gherardini, Frank; Hassan, Hosni M.; Yang, X. Frank

    2014-01-01

    Pathogenic spirochetes cause clinically relevant diseases in humans and animals, such as Lyme disease and leptospirosis. The causative agent of Lyme disease, Borrelia burgdorferi, and the causative agent of leptospirosis, Leptospria interrogans, encounter reactive oxygen species (ROS) during their enzootic cycles. This report demonstrated that physiologically relevant concentrations of pyruvate, a potent H2O2 scavenger, and provided passive protection to B. burgdorferi and L. interrogans against H2O2. When extracellular pyruvate was absent, both spirochetes were sensitive to a low dose of H2O2 (≈0.6 µM per h) generated by glucose oxidase (GOX). Despite encoding a functional catalase, L. interrogans was more sensitive than B. burgdorferi to H2O2 generated by GOX, which may be due to the inherent resistance of B. burgdorferi because of the virtual absence of intracellular iron. In B. burgdorferi, the nucleotide excision repair (NER) and the DNA mismatch repair (MMR) pathways were important for survival during H2O2 challenge since deletion of the uvrB or the mutS genes enhanced its sensitivity to H2O2 killing; however, the presence of pyruvate fully protected ΔuvrB and ΔmutS from H2O2 killing further demonstrating the importance of pyruvate in protection. These findings demonstrated that pyruvate, in addition to its classical role in central carbon metabolism, serves as an important H2O2 scavenger for pathogenic spirochetes. Furthermore, pyruvate reduced ROS generated by human neutrophils in response to the Toll-like receptor 2 (TLR2) agonist zymosan. In addition, pyruvate reduced neutrophil-derived ROS in response to B. burgdorferi, which also activates host expression through TLR2 signaling. Thus, pathogenic spirochetes may exploit the metabolite pyruvate, present in blood and tissues, to survive H2O2 generated by the host antibacterial response generated during infection. PMID:24392147

  16. Substrate effects on V 2O 3 thin films

    NASA Astrophysics Data System (ADS)

    Schwingenschlögl, Udo; Frésard, Raymond; Eyert, Volker

    2009-01-01

    We apply density functional theory and the augmented spherical wave method to analyze the electronic structure of V 2O 3 in the vicinity of an interface to Al 2O 3. The interface is modeled by a heterostructure setup of alternating vanadate and aluminate slabs. We focus on the possible modifications of the V 2O 3 electronic states in this geometry, induced by the presence of the aluminate layers. In particular, we find that the tendency of the V 3 d states to localize is enhanced and may even cause a metal-insulator transition.

  17. Gamma ray shielding and structural properties of Bi2O3-PbO-B2O3-V2O5 glass system

    NASA Astrophysics Data System (ADS)

    Kaur, Kulwinder; Singh, K. J.; Anand, Vikas

    2014-04-01

    The present work has been undertaken to evaluate the applicability of Bi2O3-PbO-B2O3-V2O5 glass system as gamma ray shielding material. Gamma ray mass attenuation coefficient has been determined theoretically using WinXcom computer software developed by National Institute of Standards and Technology. A meaningful comparison of their radiation shielding properties has been made in terms of their half value layer parameter with standard radiation shielding concrete 'barite'. Structural properties of the prepared glass system have been investigated in terms of XRD and FTIR techniques in order to check the possibility of their commercial utility as alternate to conventional concrete for gamma ray shielding applications.

  18. In vitro evaluation of bioactivity of CaO-SiO 2-P 2O 5-Na 2O-Fe 2O 3 glasses

    NASA Astrophysics Data System (ADS)

    Singh, Rajendra Kumar; Kothiyal, G. P.; Srinivasan, A.

    2009-05-01

    Glasses with compositions 41CaO(52 - x)SiO 24P 2O 5· xFe 2O 33Na 2O (2 ≤ x ≤ 10 mol.%) were prepared by melt quenching method. Bioactivity of the different glass compositions was studied in vitro by treating them with simulated body fluid (SBF). The glasses treated for various time periods in SBF were evaluated by examining apatite formation on their surface using grazing incidence X-ray diffraction, Fourier transform infrared reflection spectroscopy, scanning electron microscopy and energy dispersive spectroscopy techniques. Increase in bioactivity with increasing iron oxide content was observed. The results have been used to understand the evolution of the apatite surface layer as a function of immersion time in SBF and glass composition.

  19. Electrical conductivity studies of Bi{sub 2}O{sub 3}-Li{sub 2}O-ZnO-B{sub 2}O{sub 3} glasses

    SciTech Connect

    Bale, Shashidhar; Rahman, Syed

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer Ac conductivity measurements and its analysis has been performed on Bi{sub 2}O{sub 3}-Li{sub 2}O-ZnO-B{sub 2}O{sub 3} glasses in the temperature range 30-300 Degree-Sign C and a frequency range of 100 Hz to 1 MHz. Black-Right-Pointing-Pointer The dc conductivity increased and the activation energy decreased with lithium content. Black-Right-Pointing-Pointer The frequency dependent conductivity has been analyzed employing conductivity and modulus formalisms. Black-Right-Pointing-Pointer The onset of conductivity relaxation shifts towards higher frequencies with temperature. Black-Right-Pointing-Pointer The Almond-West conductivity formalism is used to explain the scaling behavior, and the relaxation mechanism is independent of temperature. -- Abstract: Ac conductivity measurements and its analysis has been performed on xBi{sub 2}O{sub 3}-(65-x)Li{sub 2}O-20ZnO-15B{sub 2}O{sub 3} (0 {<=} x {<=} 20) glasses in the temperature range 30-300 Degree-Sign C and a frequency range of 100 Hz to 1 MHz. The dc conductivity increased and the activation energy decreased with lithium content. The frequency dependent conductivity has been analyzed employing conductivity and modulus formalisms. The onset of conductivity relaxation shifts towards higher frequencies with temperature. The Almond-West conductivity formalism is used to explain the scaling behavior, and the relaxation mechanism is independent of temperature.

  20. In vitro bioactivity evaluation, mechanical properties and microstructural characterization of Na2O-CaO-B2O3-P2O5 glasses

    NASA Astrophysics Data System (ADS)

    Abo-Naf, Sherief M.; Khalil, El-Sayed M.; El-Sayed, El-Sayed M.; Zayed, Hamdia A.; Youness, Rasha A.

    2015-06-01

    Na2O-CaO-B2O3-P2O5 glasses have been prepared by the melt-quenching method. B2O3 content was systematically increased from 5 to 30 mol%, at the expense of P2O5, in the chemical composition of these glasses. Density, Vickers microhardness and fracture toughness of the prepared glasses were measured. In vitro bioactivity of the glasses was assessed by soaking in the simulated body fluid (SBF) at 37 ± 0.5 °C for 3, 7, 14 and 30 days. The glasses were tested in the form of glass grains as well as bulk slabs. The structure and composition of the solid reaction products were analyzed using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM) and scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS). The kinetics of degradation of the glass particles were monitored by measuring the weight loss of the particles and the ionic concentration of Ca, P and B in the SBF solution using inductive coupled plasma-atomic emission spectroscopy (ICP-AES). The obtained results revealed the formation of a bioactive hydroxyapatite (HA) layer, composed of nano-crystallites, on the surface of glass grains after the in vitro assays. The results have been used to understand the formation of HA as a function of glass composition and soaking time in the SBF. It can be pointed out that increasing B2O3 content in glass composition enhances the bioactivity of glasses. The nanometric particle size of the formed HA and in vitro bioactivity of the studied glasses make them possible candidates for tissue engineering application.

  1. The vibration-rotation-tunneling levels of N2-H2O and N2-D2O

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Carrington, Tucker

    2015-07-01

    In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

  2. The vibration-rotation-tunneling levels of N2-H2O and N2-D2O.

    PubMed

    Wang, Xiao-Gang; Carrington, Tucker

    2015-07-14

    In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments. PMID:26178101

  3. Neutron irradiation and compatibility testing of Li 2O

    NASA Astrophysics Data System (ADS)

    Porter, D. L.; Krsul, J. R.; Laug, M. T.; Walters, L. C.; Tetenbaum, M.

    1984-05-01

    A study was made of the neutron irradiation behavior of 6Li-enriched Li 2O in EBR-II. In addition, a stress corrosion study was performed ex-reactor to test the compatibility of Li 2O with a variety of stainless steels. The irradiation tests showed that tritium and helium retention in the Li 2O (˜ 89% dense) lessened with neutron exposure, and the retentions appear to approach a steady-state after ˜ 1% 6Li burnup. The stress corrosion studies, using 316 stainless steel (Ti-modified) and a 35% Ni alloy, showed that stress does not enhance the corrosion, and that dry Li 2O is not significantly corrosive, the LiOH content producing the corrosive effects. Corrosion, in general, was not severe because a passivation in sealed capsules seemed to occur after a time which greatly reduced corrosion rates.

  4. Protonic Conduction in TiP2O7

    NASA Astrophysics Data System (ADS)

    Nalini, V.; Norby, T.; Anuradha, A. M.

    2006-06-01

    TiP2O7 was synthesized by reacting TiO2 and 85 % H3PO4 and characterized by XRD, TEM and SEM. The electrical conductivity of the sample was examined at 500-1000 °C under various p(O2), p(H2O), and p(D2O) conditions. The conductivity of the material in wet atmospheres was higher than that under D2O-containing and dry atmospheres, indicating that protonic conduction was dominant in this material in wet atmospheres. The conductivity was mainly independent of p(O2) at 500-900 °C under oxidizing conditions, confirming predominant ionic (protonic) conduction.

  5. Effects of Substitution of K2O for Na2O on the Bioactivity of CaO-Na2O-SiO2-P2O5 glasses

    NASA Astrophysics Data System (ADS)

    Kim, Taehee; Hwang, Chawon; Gwoo, Donggun; Park, Hoyyul; Ryu, Bong-Ki

    2012-10-01

    The compositional dependences of bioactivity, thermal properties, atomic structure, and surface morphology have been investigated in the CaO-Na2O-SiO2-P2O5 system; this system is known as a bioglass. 45S5 Bioglass® is known to be a general and highly bioactive material. However, the bioactivity of this glassy material is expected to be improved by modifying the alkali-metal composition. Thermal properties, density, and molar volume were measured to investigate the structural packing. FT-IR spectra and X-ray diffraction were used to confirm the structures of these glasses. The morphology was examined using field emission electron microscopy, and the formation of a Ca-P layer was studied using an energy-dispersive system. This study shows that the tendency to form a calcium phosphate layer is increased with the substitution of K2O for Na2O.

  6. Synthesis and SERS activity of V2O5 nanoparticles

    NASA Astrophysics Data System (ADS)

    Pan, J.; Li, M.; Luo, Y. Y.; Wu, H.; Zhong, L.; Wang, Q.; Li, G. H.

    2015-04-01

    Vanadium pentoxide nanoparticles with different sizes were prepared by a microwave-assisted hydrothermal reduction combined with subsequent annealing treatment. The surface enhanced Raman spectroscopy (SERS) activity of rhodamine 6G (R6G) over V2O5 nanoparticles was investigated. It was found that the SERS activity of R6G is size-dependent, and the smaller the nanoparticle size the higher the SERS activity. The V2O5 nanoparticles with an average size about 42 nm have a detecting limit better than 10-8 M R6G. The SERS activity of R6G over V2O5 nanoparticles is also excitation wavelength-dependent, and the 532 nm laser displays an optimal SERS activity because of the energy matching between V2O5 nanoparticles and R6G molecules in the photo-induced charge transfer process.

  7. A comparison of ice VII formed in the H2O, NaCl-H2O, and CH3OH-H2O systems: Implications for H2O-rich planets

    NASA Astrophysics Data System (ADS)

    Frank, Mark R.; Aarestad, Elizabeth; Scott, Henry P.; Prakapenka, Vitali B.

    2013-02-01

    High-pressure H2O polymorphs, namely ice VI, ice VII, and ice X, are hypothesized to make up a considerable portion of the interiors of large icy satellites and select extra-solar planets. The incorporation of foreign ions or molecules into these high-pressure phases is possible through ocean-ice interaction, rock-ice interaction at depth, or processes that occurred during accretion. Recent research concerning the effects charged ions have on ice VII has shown that these ions notably affect the structure of ice VII (Frank et al., 2006; Klotz et al., 2009). This study was designed to determine the effects of a molecular impurity on ice VII and compare those effects to both pure H2O ice and ice with an ionic impurity. Ice samples were formed in this study via compression in a diamond anvil cell from either H2O, a 1.60 mol% NaCl aqueous solution, a 1.60 mol% CH3OH aqueous solution, or a 5.00 mol% CH3OH aqueous solution and were compressed up to 71 GPa at room temperature. Ice formed from pure H2O had no impurities whereas ices formed in the NaCl-H2O and CH3OH-H2O systems contained the impurities Na+ and Cl- and CH3OH, respectively. Pressure-volume relations were observed in situ by using synchrotron based X-ray diffraction and were used to determine the equations of state for ices formed in the H2O, NaCl-H2O and CH3OH-H2O systems. The data illustrate that ice VII formed from a NaCl-bearing aqueous solution exhibited a depressed volume when compared to that of H2O-only ice VII at any given pressure, whereas ice VII formed from CH3OH-bearing aqueous solutions showed an opposite trend, with an increase in volume relative to that of pure ice VII. The ices within planetary bodies will most likely have both ionic and molecular impurities and the trends outlined in this study can be used to improve density profiles of H2O-rich planetary bodies.

  8. Helium Diffusion Through H2O and D2O Amorphous Ice: A Lattice Inverse Istope Effect

    SciTech Connect

    Daschbach, John L.; Schenter, Gregory K.; Ayotte, Patrick; Smith, R. Scott; Kay, Bruce D.

    2004-05-14

    The diffusion of helium through both H2O and D2O amorphous solid water (ASW) has been measured between 55K and 110K. We find the diffusion rate is dependent on the isotopic composition of the ASW lattice. This lattice isotope effect is the "inverse" of a normal isotope effect, in that diffusion is faster in the heavier (D2O) isotope. Transition state theory calculations show that the isotope effect is due to a tight transition state results in a large zero point vibrational energy differences at the transition state predominantly due to hindered rotations of water in the lattice.

  9. Ionization yield and absorption spectra reveal superexcited Rydberg state relaxation processes in H2O and D2O

    NASA Astrophysics Data System (ADS)

    Fillion, J.-H.; Dulieu, F.; Baouche, S.; Lemaire, J.-L.; Jochims, H. W.; Leach, S.

    2003-07-01

    The absorption cross section and the ionization quantum yield of H2O have been measured using a synchrotron radiation source between 9 and 22 eV. Comparison between the two curves highlights competition between relaxation processes for Rydberg states converging to the first tilde A 2A 1 and to the second tilde B 2B 2 excited states of H2O+. Comparison with D2O absorption and ionization yields, derived from Katayama et al (1973 J. Chem. Phys. 59 4309), reveals specific energy-dependent deuteration effects on competitive predissociation and autoionization relaxation channels. Direct ionization was found to be only slightly affected by deuteration.

  10. Luminescence in Li2BaP2O7.

    PubMed

    Hatwar, L R; Wankhede, S P; Moharil, S V; Muthal, P L; Dhopte, S M

    2015-09-01

    The photo-, thermo- and optically stimulated luminescence in Li2BaP2O7 activated with Eu(2+) /Cu(+) are reported. Strong thermoluminescence, which is about two times greater than LiF-TLD 100 was observed in the Eu(2+) -activated sample. It also exhibited optically stimulated luminescence sensitivity of ~20% that of commercial Al2O3:C phosphor. PMID:25351563

  11. Amorphous Li2 O2 : Chemical Synthesis and Electrochemical Properties.

    PubMed

    Zhang, Yelong; Cui, Qinghua; Zhang, Xinmin; McKee, William C; Xu, Ye; Ling, Shigang; Li, Hong; Zhong, Guiming; Yang, Yong; Peng, Zhangquan

    2016-08-26

    When aprotic Li-O2 batteries discharge, the product phase formed in the cathode often contains two different morphologies, that is, crystalline and amorphous Li2 O2 . The morphology of Li2 O2 impacts strongly on the electrochemical performance of Li-O2 cells in terms of energy efficiency and rate capability. Crystalline Li2 O2 is readily available and its properties have been studied in depth for Li-O2 batteries. However, little is known about the amorphous Li2 O2 because of its rarity in high purity. Herein, amorphous Li2 O2 has been synthesized by a rapid reaction of tetramethylammonium superoxide and LiClO4 in solution, and its amorphous nature has been confirmed by a range of techniques. Compared with its crystalline siblings, amorphous Li2 O2 demonstrates enhanced charge-transport properties and increased electro-oxidation kinetics, manifesting itself a desirable discharge phase for high-performance Li-O2 batteries. PMID:27486085

  12. Microfaceting of Cu2O and its implications in photochemistry

    NASA Astrophysics Data System (ADS)

    Lee, Yunjae; Lee, Taehun; Lee, Yonghyuk; Soon, Aloysius

    The high Miller-index microfacets e.g. {211}, {311}, and {522} have been proposed to play a key role in shape-controlled crystal engineering of Cu2O polyhedrons for various clean energy applications. These Cu2O microcrystals with high Miller-index microfacets are found to have a higher photocatalytic activity than those with octahedra and cube morphologies, and thus suggesting that the catalytically active sites are more abundant on the high Miller-index surfaces. Although much effort has been devoted to the actual synthesis and characterizations of these shaped Cu2O nanocrystals with various morphologies, a firm theoretical understanding of these system are currently limited to low Miller-index facets of Cu2O. Here, we perform first-principles density-functional theory (DFT) calculations to study the surface energetics and electronic structure of these high Miller-index Cu2O surfaces, and evaluate their overpotential for water redox reactions on Cu2O, in comparison with that for the low Miller-index surfaces.

  13. Influence of local structural disorders on spectroscopic properties of multi-component CaF2-Bi2O3-P2O5-B2O3 glass ceramics with Cr2O3 as nucleating agent

    NASA Astrophysics Data System (ADS)

    Suresh, S.; Narendrudu, T.; Yusub, S.; Suneel Kumar, A.; Ravi Kumar, V.; Veeraiah, N.; Krishna Rao, D.

    2016-01-01

    Multi-component CaF2-Bi2O3-P2O5-B2O3 glasses doped with different concentrations of Cr2O3 were crystallized through heat treatment. The prepared glass ceramic samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and differential thermal analysis (DTA). Spectroscopic studies viz., optical absorption, Fourier transform infrared (FTIR), Raman and electron paramagnetic resonance (EPR) were carried out. The XRD, SEM and DTA studies indicated that the samples contain different crystalline phases. Results of optical absorption and EPR studies pointed out the gradual conversion of chromium ions from Cr3 + state to Cr6 + state with an increase of Cr2O3 content from 0.1 to 0.5 mol%. The results of FTIR, Raman and EPR studies revealed that Cr6 + ions participate in the glass network in tetrahedral positions and seemed to increase the polymerization of the glass ceramics. The quantitative analysis of results of the spectroscopic studies further indicated that the glasses crystallized with low concentration of Cr2O3 are favourable for solid state laser devices.

  14. Hydrogen photochromism in Nb2O5 powders.

    PubMed

    Pan, Lei; Wang, Yi; Wang, XianJie; Qu, HuiYing; Zhao, JiuPeng; Li, Yao; Gavrilyuk, Alexander

    2014-10-14

    In this paper, we report on the hydrogen photochromism in Nb2O5 powders with different structures. Four different powder phases were prepared by calcining Nb2O5·nH2O powders at various temperatures, and their morphology, structure, and electronic band structure were characterized by scanning electron microscopy, structural analyses, thermogravimetric analysis, differential scanning calorimetry, and optical spectroscopy. Nb2O5 powders with different structures and very different properties were formed after different high-temperature treatments of the polymorphous oxide. A pronounced photochromic effect was observed in the M and H phases of Nb2O5, whereas the other phases exhibited poor photochromic responses. Because photochromism arises due to the detachment of hydrogen atoms under the action of light from hydrogen donor molecules previously adsorbed on the oxide surface, the electronic band structure and the morphology have strong influences on the photochromic properties of Nb2O5 powders. For these reasons, a pronounced photochromic effect was achieved in the H phase. PMID:25167075

  15. Evidence of multiferroicity in NdMn2O5

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, S.; Balédent, V.; Damay, F.; Gukasov, A.; Moshopoulou, E.; Auban-Senzier, P.; Pasquier, C.; André, G.; Porcher, F.; Elkaim, E.; Doubrovsky, C.; Greenblatt, M.; Foury-Leylekian, P.

    2016-03-01

    Recently, R Mn2O5 (R =rare earth, Bi, Y) type multiferroics have drawn considerable attention, because of magnetically induced ferroelectricity along with an extremely large magnetoelectric coupling. Here, we present a detailed study on NdMn2O5 which is a crucial composition between the nonferroelectric PrMn2O5 and ferroelectric SmMn2O5 . We report the results of heat capacity, magnetization, dielectric permittivity, and electric polarization measurements along with an accurate description of the structural and microscopic magnetic properties obtained from high resolution x-ray and neutron diffraction studies. We show that NdMn2O5 is ferroelectric, although the magnitude of polarization is much weaker than that of the other multiferroic members. The direction of the polarization is along the crystallographic b axis and its magnitude can be tuned with the application of a magnetic field. Moreover, unlike the other multiferroic members of this series, ferroelectricity in NdMn2O5 emerges in an incommensurate magnetic state. The present study also provides evidence in support of the influence of the rare-earth size on the magnetoelectric phase diagram.

  16. Neutron scattering study on cathode LiMn2O4 and solid electrolyte 5(Li2O)(P2O5)

    NASA Astrophysics Data System (ADS)

    Kartini, E.; Putra, Teguh P.; Jahya, A. K.; Insani, A.; Adams, S.

    2014-09-01

    Neutron scattering is very important technique in order to investigate the energy storage materials such as lithium-ion battery. The unique advantages, neutron can see the light atoms such as Hydrogen, Lithium, and Oxygen, where those elements are negligible by other corresponding X-ray method. On the other hand, the energy storage materials, such as lithium ion battery is very important for the application in the electric vehicles, electronic devices or home appliances. The battery contains electrodes (anode and cathode), and the electrolyte materials. There are many challenging to improve the existing lithium ion battery materials, in order to increase their life time, cyclic ability and also its stability. One of the most scientific challenging is to investigate the crystal structure of both electrode and electrolyte, such as cathodes LiCoO2, LiMn2O4 and LiFePO4, and solid electrolyte Li3PO4. Since all those battery materials contain Lithium ions and Oxygen, the used of neutron scattering techniques to study their structure and related properties are very important and indispensable. This article will review some works of investigating electrodes and electrolytes, LiMn2O4 and 5(Li2O)(P2O5), by using a high resolution powder diffraction (HRPD) at the multipurpose research reactor, RSG-Sywabessy of the National Nuclear Energy Agency (BATAN), Indonesia.

  17. V2O2F4(H2O)2·H2O: a new V(4+) layer structure related to VOF3.

    PubMed

    Black, Cameron; Lightfoot, Philip

    2016-01-01

    V(IV) oxyfluorides are of interest as frustrated magnets. The successful synthesis of two-dimensionally connected vanadium(IV) oxyfluoride structures generally requires the use of ionic liquids as solvents. During solvothermal synthesis experiments aimed at producing two- and three-dimensional vanadium(IV) selenites with triangular lattices, the title compound, diaquatetra-μ-fluorido-dioxidodivanadium(IV) monohydrate, V2O2F4(H2O)2·H2O, was discovered and features a new infinite V(4+)-containing two-dimensional layer comprised of fluorine-bridged corner- and edge-sharing VOF4(H2O) octahedral building units. The synthesis was carried out under solvothermal conditions. The V(4+) centre exhibits a typical off-centring, with a short V=O bond and an elongated trans-V-F bond. Hydrogen-bonded water molecules occur between the layers. The structure is related to previously reported vanadium oxyfluoride structures, in particular, the same layer topology is seen in VOF3. PMID:26742832

  18. Oceanic N2O emissions in the 21st century

    NASA Astrophysics Data System (ADS)

    Martinez-Rey, Jorge; Bopp, Laurent; Gehlen, Marion; Tagliabue, Alessandro

    2013-04-01

    Climate change will cause multiple perturbations in ocean biogeochemistry during the next century. Changes in temperature, carbonate chemistry, salinity and dissolved oxygen concentration will drive changes which remain highly uncertain, especially in the oceanic nitrogen cycle. Of particular interest regarding feedbacks to the Earth System are the oceanic emissions of nitrous oxide. N2O is a powerful greenhouse gas with a residence time of more than 100 years in the atmosphere. Moreover, N2O has been identified as the leading ozone depletion emission since 2010. Oceanic N2O, with an annual contribution of 3.6 Tg N and hence 30% of the total natural sources, is produced by bacterial processes called nitrification and denitrification. These processes are enhanced in regions of high productivity, with denitrification occurring where oxygen concentrations are low, typically below 60 μmol/L. Different parameterizations for N2O production have been proposed over the past decade and considered by current ocean biogeochemical models. However, significant uncertainties remain in particular with respect to the future evolution of N2O production under climate change. We implemented several published parameterizations of N2O production into the biogeochemical model PISCES and estimated the change in N2O production, inventory and N2O sea-to-air flux between 2005 and 2100, under the high emission scenario RCP8.5. This approach is complemented by an offline analysis of 8 model output datasets which contributed to the Coupled Model Intercomparison Project (CMIP5). Projections of N2O flux from the ocean to the atmosphere yield a 5% decrease on average in 2100. North- and southwest basins in the Pacific and Atlantic oceans show the largest reduction in N2O emissions, while the flux tends to increase in regions where the Oxygen Minimum Zones (OMZs) are located, i.e., Eastern Tropical Pacific and Bay of Bengal. The projected expansion of the OMZs, from 6.5 to 8.5 106 km3in our

  19. Characterization and optical properties of Fe2O3-PbO-B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Sanjay, Kishore, N.; Kundu, R.; Dahiya, S.; Pal, I.; Dhankhar, S.; Punia, R.

    2016-05-01

    Heavy metal-based oxide glasses of compositions xFe2O3.(40-x)PbO.60B2O3 have been synthesized by the standard melt-quenching technique. The amorphous nature of these samples is ascertained by XRD patterns. Scanning Electron Microscope is used to study the microstructure of the samples. The absorption edge (λcut-off) shifts toward longer wavelengths with an increase in Fe2O3 content in the glass matrix. Study of absorption edge signifies the glassy nature of the samples. The values of optical band gap energy for indirect allowed and forbidden transitions have been determined and it is found that it decreases with increasing Fe2O3 content. The Urbach's energy is used to characterize the degree of disorder in the studied samples.

  20. Thermoelectric properties of rhodates: Layered β-SrRh2O4 and spinel ZnRh2O4

    NASA Astrophysics Data System (ADS)

    Wilson-Short, G. B.; Singh, D. J.; Fornari, M.; Suewattana, M.

    2007-01-01

    Density functional calculations are used to obtain the electronic structure of β-SrRh2O4 in comparison with spinel ZnRh2O4 . Both materials are band insulators, with substantial crystal field induced band gaps, reflecting strong transition-metal-O hybridization. However, due to the bonding topology in these materials, the valence bands are very narrow. This leads to high thermopowers within standard Boltzmann transport theory, and indicates that they can be the basis of good thermoelectric materials provided that they can be doped into metallic states with reasonable carrier mobility. In the case of β-SrRh2O4 , scattering due to Sr disorder is important. Also, again in β-SrRh2O4 , the band gap may be large enough to be of interest for photoelectrochemical H2 production.

  1. Pair distribution function (PDF) analysis of mesoporous α-Fe2O3 and Cr2O3.

    PubMed

    Hill, Adrian H; Allieta, Mattia

    2013-06-14

    We have measured atomic pair distribution functions of novel mesoporous metal oxides, α-Fe2O3 and Cr2O3. These have an ordered pore mosaic as well as crystalline structure within the pore walls, making them an interesting class of materials to characterise. Comparison of "bulk" and mesoporous data sets has allowed an estimate of long range structural coherence to be derived; ≈125 Å and ≈290 Å for α-Fe2O3 and Cr2O3 respectively. Further "box-car" analysis has shown that above ≈40 Å both mesoporous samples deviate greatly from their bulk counterparts. This is attributed to the pores of the mesoporous structure creating voids in the pair-correlations, disrupting long range order. PMID:23619834

  2. Lateral variation of H2O/K2O ratios in Quaternary Magma of the Northeastern Japan arc

    NASA Astrophysics Data System (ADS)

    Miyagi, I.

    2012-12-01

    Water plays a fundamental role in the magma genesis beneath subduction zones. In order to estimate a spatial distribution of the density of water flux in the wedge mantle of the Northeastern Japan arc, this study examines a lateral variation of pre-eruptive bulk rock H2O/K2O contents among volcanoes located both in the frontal and in back arc settings. The analytical targets are the frontal volcanoes Nigorikawa (N42.12 E140.45), Zenikame (N41.74 E140.85), Adachi (N38.22 E140.65), and Nanashigure (N40.07 E141.11), and the back arc ones Hijiori (N38.61 E140.17) and Kanpu (N39.93 E139.88). The bulk magmatic H2O content (TH2O) is calculated from a mass balance of hydrogen isotopic ratios among three phases in a batch of magma; dissolved water in melt, excess H2O vapor, and hydrous phenocrysts such as amphiboles (Miyagi and Matsubaya, 2003). Since the amount of H2O in hydrous phenocryst is negligible, the bulk magmatic H2O content can be written as TH2O = (30 XD CD) / (15 - dT + dMW), where dMW is the measured hydrogen isotopic ratio of hydrous phenocrysts, XD is a melt fraction of magma, CD is a water concentration of the melt, and dT is hydrogen isotopic ratios of a bulk magma (assumed to be -50 per-mil). Both XD and CD are estimated from bulk rock chemistry of the sample using the MELTS program (Ghiorso and Sack, 1995). Hydrogen isotopic fractionation factors are assumed to be -15 and -30 per-mil for vapor and hydrous mineral, and vapor and silicate melt, respectively. There observed a clear difference among the H2O/K2O ratios of bulk magmas from the frontal and back arc volcanoes. For instance higher H2O/K2O wt ratios was observed in the frontal volcanoes (Nigorikawa 5.3, Zenikame 11-12, Adachi 8-10, and Nanashigure 4-18), while lower H2O/K2O wt ratios was observed in the back arc ones (Kanpu 0-2.5 and Hijiori 1.4). The lateral variation of H2O/K2O ratios infer the higher water flux through the frontal side of wedge mantle, which can be a potential cause of the

  3. Lithium intercalation cells LiMn 2O 4/LiTi 2O 4 without metallic lithium

    NASA Astrophysics Data System (ADS)

    Manickam, M.; Takata, M.

    Rechargeable lithium cells can be made with two different intercalation compounds as the positive and negative electrodes, which are safer than the battery technology using pure Li metal. In this paper, we present our study of the Li ion type battery that uses LiTi 2O 4 as the negative electrode, which is coupled with a strongly oxidizing intercalation compound, spinel LiMn 2O 4, as the positive electrode has been found to solve problems associated with the use of metallic lithium at the expense of lowering the overall cell voltage. Preliminary electrochemical data revealed that this Li ion type battery "LiMn 2O 4/LiTi 2O 4" exhibits a low performance in terms of capacity. Li cycling efficiency is examined with mixed solvents as electrolyte. With improvements in capacity, materials such as these could improve the over all performance of secondary lithium intercalation cells.

  4. Strain-induced topological transition in SrRu2O6 and CaOs2O6

    DOE PAGESBeta

    Ochi, Masayuki; Arita, Ryotaro; Trivedi, Nandini; Okamoto, Satoshi

    2016-05-24

    The topological property of SrRu$_2$O$_6$ and isostructural CaOs$_2$O$_6$ under various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For SrRu$_2$O$_6$, such a transition requires rather unrealistic tuning, where only the $c$ axis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in CaOs$_2$O$_6$, the desired topological transition does occur under uniform compressive strain. Our study paves a waymore » to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.« less

  5. Transport coefficients and cross sections for electrons in N2O and N2O/N2 mixtures

    NASA Astrophysics Data System (ADS)

    Dupljanin, S.; de Urquijo, J.; Šašić, O.; Basurto, E.; Juárez, A. M.; Hernández-Ávila, J. L.; Dujko, S.; Petrović, Z. Lj

    2010-04-01

    A standard swarm analysis of electron scattering cross sections in nitrous oxide (N2O) is presented. The experimental results for drift velocities and effective ionization coefficients (differences between the ionization and attachment coefficients), obtained over an extended range of E/N (electric field normalized to the gas number density) by the pulsed-Townsend technique, are compared with the numerical solution of the Boltzmann equation. Our analysis shows that commonly used sets of cross sections have to be modified in order to fit the new experimental data, in particular the dissociative cross sections for attachment and electronic excitation (with a threshold energy of around 4.0 eV). Using a single set of cross sections it was possible to fit both the data for pure N2O and those for the N2O/N2 mixtures with 20%, 40%, 60% and 80% N2O.

  6. Oceanic N2O emissions in the 21st century

    NASA Astrophysics Data System (ADS)

    Martinez-Rey, J.; Bopp, L.; Gehlen, M.; Tagliabue, A.; Gruber, N.

    2014-12-01

    The ocean is a substantial source of nitrous oxide (N2O) to the atmosphere, but little is known on how this flux might change in the future. Here, we investigate the potential evolution of marine N2O emissions in the 21st century in response to anthropogenic climate change using the global ocean biogeochemical model NEMO-PISCES. We implemented two different parameterizations of N2O production, which differ primarily at low oxygen (O2) conditions. When forced with output from a climate model simulation run under the business-as-usual high CO2 concentration scenario (RCP8.5), our simulations suggest a decrease of 4 to 12% in N2O emissions from 2005 to 2100, i.e., a reduction from 4.03/3.71 to 3.54/3.56 Tg N yr-1 depending on the parameterization. The emissions decrease strongly in the western basins of the Pacific and Atlantic oceans, while they tend to increase above the Oxygen Minimum Zones (OMZs), i.e., in the Eastern Tropical Pacific and in the northern Indian Ocean. The reduction in N2O emissions is caused on the one hand by weakened nitrification as a consequence of reduced primary and export production, and on the other hand by stronger vertical stratification, which reduces the transport of N2O from the ocean interior to the ocean surface. The higher emissions over the OMZ are linked to an expansion of these zones under global warming, which leads to increased N2O production associated primarily with denitrification. From the perspective of a global climate system, the averaged feedback strength associated with the projected decrease in oceanic N2O emissions amounts to around -0.009 W m-2 K-1, which is comparable to the potential increase from terrestrial N2O sources. However, the assesment for a compensation between the terrestrial and marine feedbacks calls for an improved representation of N2O production terms in fully coupled next generation of Earth System Models.

  7. Pd-Cu(2)O and Ag-Cu(2)O hybrid concave nanomaterials for an effective synergistic catalyst.

    PubMed

    Li, Lingling; Chen, Xiaobin; Wu, Yuen; Wang, Dingsheng; Peng, Qing; Zhou, Gang; Li, Yadong

    2013-10-11

    Palladium and silver salts were combined with Cu2 O octadecahedra in concave heterostructures. The formation of concave faces involved selective oxidative etching of Cu2 O on the {100} faces and in situ growth of Pd/Ag on different sites. The structures showed superior catalytic activities to both single domains and their mixtures in a model Sonogashira-type organic reaction. PMID:24038721

  8. Anomalous scattering of keV neutrons from H2O and D2O : I. Single scattering events

    NASA Astrophysics Data System (ADS)

    Chatzidimitriou-Dreismann, C. A.; Krzystyniak, M.

    2006-05-01

    Scattering of neutrons in the 24-150 keV incident energy range from H2O relative to that of D2O and H2O-D2O mixtures was reported recently by Moreh et al. This work is related to neutron Compton scattering experiments regarding the 'anomalous' scattering from protons, observed earlier at ISIS by Chatzidimitriou-Dreismann et al in the 5-100 eV range. Here we provide the complete data reduction scheme of time-of-flight integrated intensities measured at keV energy transfers, within the impulse approximation of standard theory and for single scattering events. Current investigations of multiple scattering events and the associated preliminary results are mentioned. Direct application of the theoretical results to the new keV scattering data reveals an anomalous ratio of scattering intensity of H2O relative to that of D2O of about 20%, thus being in good agreement with the earlier results of the original experiment at ISIS.

  9. New Insights into the N2O formation mechanism over Pt-BaO/Al2O3 model catalysts using H2 as a reductant.

    PubMed

    Zhu, Jinxin; Wang, Jun; Wang, Jianqiang; Lv, Liangfang; Wang, Xiuting; Shen, Meiqing

    2015-01-01

    The N2O formation mechanism was investigated over a Pt-BaO/Al2O3 catalyst applied on light-duty diesel vehicles using H2 as a reductant in the absence and presence of H2O. In the absence of H2O, N2O forms mainly at the initial phase of lean NOx trapping; while in the presence of H2O, N2O appears mainly at the beginning of the rich reduction phase. In the lean period, N2O is formed via the gaseous NO/O2 reacting with the adsorbed H and NH3 that are formed during the previous rich period. The N2O formation in the rich period is insignificant in the absence of H2O but is greatly enhanced by the presence of H2O. The amount of N2O formed is proportional to the H2O level in the feed, and its formation is favored at low temperatures. Our FTIR data show that H2O enhances the rate of nitrite/nitrate reduction during the rich regeneration, which increases the amount of released NOx, an oxygen source for N2O formation. Our temperature-programmed experiments indicate that H2O competes with NH3 for adsorption sites on Pt surface. This competitive adsorption may increase the NH3 desorption rate at low temperatures in the rich phase and make Pt surface more accessible to NO. PMID:25495837

  10. Characterization of Water Coordination to Ferrous Nitrosyl Complexes with fac-N2O, cis-N2O2, and N2O3 Donor Ligands.

    PubMed

    McCracken, John; Cappillino, Patrick J; McNally, Joshua S; Krzyaniak, Matthew D; Howart, Michael; Tarves, Paul C; Caradonna, John P

    2015-07-01

    Electron paramagnetic resonance (EPR) experiments were done on a series of S = (3)/2 ferrous nitrosyl model complexes prepared with chelating ligands that mimic the 2-His-1-carboxylate facial triad iron binding motif of the mononuclear nonheme iron oxidases. These complexes formed a comparative family, {FeNO}(7)(N2Ox)(H2O)3-x with x = 1-3, where the labile coordination sites for the binding of NO and solvent water were fac for x = 1 and cis for x = 2. The continuous-wave EPR spectra of these three complexes were typical of high-spin S = (3)/2 transition-metal ions with resonances near g = 4 and 2. Orientation-selective hyperfine sublevel correlation (HYSCORE) spectra revealed cross peaks arising from the protons of coordinated water in a clean spectral window from g = 3.0 to 2.3. These cross peaks were absent for the {FeNO}(7)(N2O3) complex. HYSCORE spectra were analyzed using a straightforward model for defining the spin Hamiltonian parameters of bound water and showed that, for the {FeNO}(7)(N2O2)(H2O) complex, a single water conformer with an isotropic hyperfine coupling, Aiso = 0.0 ± 0.3 MHz, and a dipolar coupling of T = 4.8 ± 0.2 MHz could account for the data. For the {FeNO}(7)(N2O)(H2O)2 complex, the HYSCORE cross peaks assigned to coordinated water showed more frequency dispersion and were analyzed with discrete orientations and hyperfine couplings for the two water molecules that accounted for the observed orientation-selective contour shapes. The use of three-pulse electron spin echo envelope modulation (ESEEM) data to quantify the number of water ligands coordinated to the {FeNO}(7) centers was explored. For this aspect of the study, HYSCORE spectra were important for defining a spectral window where empirical integration of ESEEM spectra would be the most accurate. PMID:26090963

  11. Destruction and Sequestration of H2O on Mars

    NASA Astrophysics Data System (ADS)

    Clark, Benton

    2016-07-01

    The availability of water in biologically useable form on any planet is a quintessential resource, even if the planet is in a zone habitable with temperature regimes required for growth of organisms (above -18 °C). Mars and most other planetary objects in the solar system do not have sufficient liquid water at their surfaces that photosynthesis or chemolithoautotrophic metabolism could occur. Given clear evidence of hydrous mineral alteration and geomorphological constructs requiring abundant supplies of liquid water in the past, the question arises whether this H2O only became trapped physically as ice, or whether there could be other, more or less accessible reservoirs that it has evolved into. Salts containing S or Cl appear to be ubiquitous on Mars, having been measured in soils by all six Mars landed missions, and detected in additional areas by orbital investigations. Volcanoes emit gaseous H2S, S, SO2, HCl and Cl2. A variety of evidence indicates the geochemical fate of these gases is to be transformed into sulfates, chlorides, chlorates and perchlorates. Depending on the gas, the net reaction causes the destruction of between one and up to eight molecules of H2O per atom of S or Cl (although hydrogen atoms are also released, they are lost relatively rapidly to atmospheric escape). Furthermore, the salt minerals formed often incorporate H2O into their crystalline structures, and can result in the sequestration of up to yet another six (sometimes, more) molecules of H2O. In addition, if the salts are microcrystalline or amorphous, they are potent adsorbents for H2O. In certain cases, they are even deliquescent under martian conditions. Finally, the high solubility of the vast majority of these salts (with notable exception of CaSO4) can result in dense brines with low water activity, aH, as well as cations which can be inimical to microbial metabolism, effectively "poisoning the well." The original geologic materials on Mars, igneous rocks, also provide some

  12. Interaction between sulphide and H 2O in silicate melts

    NASA Astrophysics Data System (ADS)

    Stelling, Jan; Behrens, Harald; Wilke, Max; Göttlicher, Jörg; Chalmin-Aljanabi, Emilie

    2011-06-01

    Reaction between dissolved water and sulphide was experimentally investigated in soda-lime-silicate (NCS) and sodium trisilicate (NS3) melts at temperatures from 1000 to 1200 °C and pressures of 100 or 200 MPa in internally heated gas pressure vessels. Diffusion couple experiments were conducted at water-undersaturated conditions with one half of the couple being doped with sulphide (added as FeS or Na 2S; 1500-2000 ppm S by weight) and the other with H 2O (˜3.0 wt.%). Additionally, two experiments were performed using a dry NCS glass cylinder and a free H 2O fluid. Here, the melt was water-saturated at least at the melt/fluid interface. Profiling by electron microprobe (sulphur) and infrared microscopy (H 2O) demonstrate that H 2O diffusion in the melts is faster by 1.5-2.3 orders of magnitude than sulphur diffusion and, hence, H 2O can be considered as a rapidly diffusing oxidant while sulphur is quasi immobile in these experiments. In Raman spectra a band at 2576 cm -1 appears in the sulphide - H 2O transition zone which is attributed to fundamental S-H stretching vibrations. Formation of new IR absorption bands at 5025 cm -1 (on expense of the combination band of molecular H 2O at 5225 cm -1) and at 3400 cm -1 was observed at the front of the in-diffusing water in the sulphide bearing melt. The appearance and intensity of these two IR bands is correlated with systematic changes in S K-edge XANES spectra. A pre-edge excitation at 2466.5 eV grows with increasing H 2O concentration while the sulphide peak at 2474.0 eV decreases in intensity relative to the peak at 2477.0 eV and the feature at 2472.3 eV becomes more pronounced (all energies are relative to the sulphate excitation, calibrated to 2482.5 eV). The observations by Raman, IR and XANES spectroscopy indicate a well coordinated S 2- - H 2O complex which was probably formed in the glasses during cooling at the glass transition. No oxidation of sulphide was observed in any of the diffusion couple

  13. Isotopologue fractionation during N(2)O production by fungal denitrification.

    PubMed

    Sutka, Robin L; Adams, Gerard C; Ostrom, Nathaniel E; Ostrom, Peggy H

    2008-12-01

    Identifying the importance of fungi to nitrous oxide (N2O) production requires a non-intrusive method for differentiating between fungal and bacterial N2O production such as natural abundance stable isotopes. We compare the isotopologue composition of N2O produced during nitrite reduction by the fungal denitrifiers Fusarium oxysporum and Cylindrocarpon tonkinense with published data for N2O production during bacterial nitrification and denitrification. The fractionation factors for bulk nitrogen isotope values for fungal denitrification were in the range -74.7 to -6.6 per thousand. There was an inverse relationship between the absolute value of the fractionation factors and the reaction rate constant. We interpret this in terms of variation in the relative importance of the rate constants for diffusion and enzymatic reduction in controlling the net isotope effect for N2O production during fungal denitrification. Over the course of nitrite reduction, the delta(18)O values for N2O remained constant and did not exhibit a relationship with the concentration characteristic of an isotope effect. This probably reflects isotopic exchange with water. Similar to the delta(18)O data, the site preference (SP; the difference in delta(15)N between the central and outer N atoms in N2O) was unrelated to concentration during nitrite reduction and, therefore, has the potential to act as a conservative tracer of production from fungal denitrification. The SP values of N2O produced by F. oxysporum and C. tonkinense were 37.1 +/- 2.5 per thousand and 36.9 +/- 2.8 per thousand, respectively. These SP values are similar to those obtained in pure culture studies of bacterial nitrification but quite distinct from SP values for bacterial denitrification. The large magnitude of the bulk nitrogen isotope fractionation and the delta(18)O values associated with fungal denitrification are distinct from bacterial production pathways; thus multiple isotopologue data holds much promise for

  14. Thortveitite-type Tm2Si2O7

    PubMed Central

    Kahlenberg, Volker; Aichholzer, Paul

    2014-01-01

    Single crystals of dithulium disilicate, Tm2Si2O7, were obtained in flux synthesis experiments in the system SiO2–Tm2O3–LiF at ambient pressure. The compound belongs to the group of sorosilicates, i.e. it is based on [Si2O7]-units and crystallizes in the thortveitite (Sc2Si2O7) structure type. The Tm3+ cation (site symmetry .2.) occupies a distorted octa­hedral site, with Tm—O bond lengths in the range 2.217 (4)–2.289 (4) Å. Each of the octa­hedra shares three of its edges with adjacent [TmO6] groups, resulting in the formation of layers parallel to (001). The individual [SiO4] tetra­hedra are more regular, i.e. the differences between the bond lengths between Si and the bridging and non-bridging O atoms are not very pronounced. The layers containing the octa­hedra and the sheets containing the [Si2O7] groups (point group symmetry 2/m) form an alternating sequence. Linkage is provided by sharing common oxygen vertices. PMID:25161507

  15. Electrochemical, H2O2-Boosted Catalytic Oxidation System

    NASA Technical Reports Server (NTRS)

    Akse, James R.; Thompson, John O.; Schussel, Leonard J.

    2004-01-01

    An improved water-sterilizing aqueous-phase catalytic oxidation system (APCOS) is based partly on the electrochemical generation of hydrogen peroxide (H2O2). This H2O2-boosted system offers significant improvements over prior dissolved-oxygen water-sterilizing systems in the way in which it increases oxidation capabilities, supplies H2O2 when needed, reduces the total organic carbon (TOC) content of treated water to a low level, consumes less energy than prior systems do, reduces the risk of contamination, and costs less to operate. This system was developed as a variant of part of an improved waste-management subsystem of the life-support system of a spacecraft. Going beyond its original intended purpose, it offers the advantage of being able to produce H2O2 on demand for surface sterilization and/or decontamination: this is a major advantage inasmuch as the benign byproducts of this H2O2 system, unlike those of systems that utilize other chemical sterilants, place no additional burden of containment control on other spacecraft air- or water-reclamation systems.

  16. Exchange bias of MnFe2O4@γFe2O3 and CoFe2O4@γFe2O3 core/shell nanoparticles

    NASA Astrophysics Data System (ADS)

    Cabreira-Gomes, R.; G. Silva, F.; Aquino, R.; Bonville, P.; Tourinho, F. A.; Perzynski, R.; Depeyrot, J.

    2014-11-01

    We compare here exchange bias (EB) properties of chemically synthesized core-shell nanoparticles (NPs), based either on a core of soft ferrite (MnFe2O4) or hard ferrite (CoFe2O4) protected by a maghemite shell (γ-Fe2O3). These NPs dispersed in acidic solutions are electrostatically stabilized, yielding to stable colloidal dispersions with a strong interparticle repulsion and negligible dipolar interactions in the probed range of temperatures. Field cooled (FC) magnetic hysteresis loops of non-textured frozen dispersions (with magnetic anisotropy axis of NPs distributed at random) and those of a powder based on the same NPs present a shift along the H-axis, expressing the coupling between the spin-ordered cores and the disordered surface layer of the NPs. The bias field is found to present a maximum, larger for NPs based on harder ferrite core. It is obtained for a cooling field of the order of one half of the anisotropy field, which is much larger for the CoFe2O4 cores than for MnFe2O4 ones. In powders, particles are in contact leading to an interparticle exchange which is not present in the dilute solutions where exchange bias properties are only due to an intraparticle exchange between core and surface. The thermal dependence of the bias field is well described by a reduced exponential behavior with a characteristic freezing temperature of about 8 K.

  17. Cr2O3 Films for Magnetoelectric Gate Applications

    NASA Astrophysics Data System (ADS)

    Stuart, Sean; Sachet, Edward; Maria, J. P.; Rowe, J. E. (Jack); Ulrich, Marc C.; Dougherty, Dan

    2014-03-01

    The magnetoelectric properties of Cr2O3 have been extensively studied, including recent reports of a robust electrically switched magnetic surface state. We have identified Cr2O3 as a material whose magnetoelectric properties would enable voltage controlled switching of the exchange interaction with graphene, as in the Field Effect Transistor proposed by Semenov et al. (Appl. Phys. Lett. 91, 153105). We used pulsed laser deposition to grow thin Cr2O3 films directly on HOPG and sapphire. Atomic force microscopy for films grown on HOPG show closely packed Cr2O3 islands, with a smooth surface interrupted by grain boundaries. X-Ray Diffraction shows that the film has a (0001) texture for films grown at 650 deg. C, which is the ideal orientation for magnetoelectric gating. X-Ray photoelectron spectroscopy on incomplete films suggest strong chemical interactions between the graphite and Cr2O3. Films grown on sapphire have improved crystallinity and surface morphology, which allow for measurement of the surface magnetization by magnetic force microscopy after magneto-electric annealing.

  18. Selective Crystallization Behavior of CaO-SiO2-Al2O3-MgO-FetO-P2O5 Steelmaking Slags Modified through P2O5 and Al2O3

    NASA Astrophysics Data System (ADS)

    Wang, Zhanjun; Sun, Yongqi; Sridhar, Seetharaman; Zhang, Mei; Guo, Min; Zhang, Zuotai

    2015-10-01

    In this study, the selective crystallization behavior of synthetic FetO-rich steelmaking slags modified by P2O5 and Al2O3 additions was explored using non-isothermal differential scanning calorimetry, X-ray diffraction, and field emission scanning electron microscopy techniques. Continuous cooling transformation diagrams of Fe-enriched and P-enriched phases were constructed. It was found that P2O5 addition can suppress the crystallization due to the increasing viscosity caused by increasing degree of polymerization; however, an increase of Al2O3 content accelerated the precipitation of dystectic MgFeAlO4, copolymerized by [AlO4]-tetrahedra and [FeO4]-tetrahedra units. It was also noted that the content of phosphorus in P-enriched phase can reach a high value as 28.71 wt pct for the slags modified by 15.17 wt pct Al2O3. The non-isothermal crystallization kinetics derived from activation energy and the structure of the slags explained by Raman spectra were further analyzed, which was well in accordance with the above analysis.

  19. N2O Decomposed by Discharge Plasma with Catalysts

    NASA Astrophysics Data System (ADS)

    Hu, Hui; Huang, Hao; Xu, Jie; Yang, Qi; Tao, Gongkai

    2015-12-01

    A great deal of attention has been focused on discharge plasma as it can rapidly decompose N2O without additives, which is not only a kind of greenhouse gas but also a kind of damages to the ozone layer. The thermal equilibrium plasma is chosen to combine with catalysts to decompose N2O, and its characteristics are analyzed in the present paper. The results indicate that NO and NO2 were formed besides N2 and O2 during N2O decomposition when N2O was treated merely by discharge plasma. Concentration of NO declined greatly when the discharge plasma was combined with catalysts. Results of Raman spectra analysis on CeO2, Ce0.75Zr0.25O2 and Ce0.5Zr0.5O2 imply that the products selectivity has been obviously improved in discharge plasma decomposing N2O because of the existence of massive oxygen vacancies over the composite oxide catalysts. supported by National Natural Science Foundation of China (No. 50677026) and the Applied Basic Research Program of Wuhan, China (No. 2015060101010068)

  20. Role of Metabolic H2O2 Generation

    PubMed Central

    Sies, Helmut

    2014-01-01

    Hydrogen peroxide, the nonradical 2-electron reduction product of oxygen, is a normal aerobic metabolite occurring at about 10 nm intracellular concentration. In liver, it is produced at 50 nmol/min/g of tissue, which is about 2% of total oxygen uptake at steady state. Metabolically generated H2O2 emerged from recent research as a central hub in redox signaling and oxidative stress. Upon generation by major sources, the NADPH oxidases or Complex III of the mitochondrial respiratory chain, H2O2 is under sophisticated fine control of peroxiredoxins and glutathione peroxidases with their backup systems as well as by catalase. Of note, H2O2 is a second messenger in insulin signaling and in several growth factor-induced signaling cascades. H2O2 transport across membranes is facilitated by aquaporins, denoted as peroxiporins. Specialized protein cysteines operate as redox switches using H2O2 as thiol oxidant, making this reactive oxygen species essential for poising the set point of the redox proteome. Major processes including proliferation, differentiation, tissue repair, inflammation, circadian rhythm, and aging use this low molecular weight oxygen metabolite as signaling compound. PMID:24515117

  1. Upconversion Properties of the Er-Doped Y2O3, Bi2O3 and Sb2O3 Nanoparticles Fabricated by Pulsed Laser Ablation in Liquid Media

    NASA Astrophysics Data System (ADS)

    Reza, Zamiri; Hamid-Reza, Bahari-Poor; Azmi, Zakaria; Raheleh, Jorfi; Golnoush, Zamiri; Avito, Rebelo; Akrajas, Ali Omar

    2013-11-01

    Er-doped Y2O3, Bi2O3 and Sb2O3 nanoparticles are synthesized using pulsed laser ablation in a liquid. Ceramic targets of Y2O3:Er3+, Bi2O3:Er3+ and Sb2O3:Er3+ for ablation process are prepared by standard solid-state reaction technique and ablation is carried out in 5-ml distilled water using nanosecond Q-switched Nd:YAG laser. The morphology and size of the fabricated nanoparticles are evaluated by transmission electron microscopy and the luminescence emission properties of the prepared samples are investigated under different excitation wavelengths.

  2. Degradation behaviour of a new bioceramic: Ca2P2O7 with addition of Na4P2O7.10H2O.

    PubMed

    Lin, F H; Liao, C J; Chen, K S; Sun, J S; Liu, H C

    1997-07-01

    A newly produced bioceramic, beta-Ca2P2O7 with addition of Na4P2O7.10H2O (SDCP), has been implanted into the femoral condyle of rabbits. Within 6 weeks after implantation, most of the bioceramic is replaced by new woven bone. On the contrary, block from hydroxyapatite (HA) and beta-tricalcium phosphate (beta-TCP), which are osteoconductible, do not resorb within a short period of time. We believe that the biodegradable behaviour of SDCP may occur in two steps. The first and most important step is the digestion of particles and migration of the particles by phagocytosis. The object of this study is to examine the change in morphologies, chemical compositions and crystal structure of SDCP after soaking in distilled water for a certain period of time. The SDCP ceramic was also co-cultured with leucocytes to observe how the SDCP particles were digested by the leucocytes, so that the mechanism of biodegradable behaviour of SDCP ceramic in vivo might be clarified. Four types of sintered calcium phosphate ceramics were tested in the experiment: SDCP, pure beta-Ca2P2O7 (DCP), HA and beta-TCP. They wee soaked in distilled water at 37 degrees C for up to 30 days. The microstructure and morphology of crystals deposited on the surface were observed using scanning electron microscopy. Sodium, calcium and phosphorus ion contents in the supernatant solution were detected by atomic absorption analysis and ion coupled plasma. In summary, HA and DCP showed no significant evidence of dissolution in distilled water. In static distilled water, calcium ions may be released from beta-TCP into solution during the initial 7 days and then converted into HA by reprecipitation. The results showed that the SDCP was firstly dissolved into small grains or fragments by the solution. The small fragments should be so small as to be digested by the phagocytes in a physiological environment. PMID:9199761

  3. Amorphous and Crystalline H2O-Ice

    NASA Astrophysics Data System (ADS)

    Mastrapa, Rachel M. E.; Grundy, William M.; Gudipati, Murthy S.

    On the surfaces of Solar System objects, H2O-ice can form in several different phases, including amorphous and crystalline. The stability of these phases as a function of thermal and radiation history is an active area of laboratory research. Meanwhile, remote detection of H2O-ice depends on the interpretation of infrared absorptions that are also dependent on phase and temperature. Surface processes, such as surface chemistry, micrometeorite gardening, and cryovolcanic resurfacing, on the surfaces of objects are linked to H2O-ice phase. We review the current state of laboratory measurements in the context of observations of Solar System objects and list the areas where new measurements are needed.

  4. Mn2O3 Slurry Achieving Reduction of Slurry Waste

    NASA Astrophysics Data System (ADS)

    Kishii, Sadahiro; Nakamura, Ko; Hanawa, Kenzo; Watanabe, Satoru; Arimoto, Yoshihiro; Kurokawa, Syuhei; Doi, Toshiro K.

    2012-04-01

    Fumed silica is widely used for SiO2 chemical mechanical polishing (CMP). In semiconductor processes, only fresh slurry is used, the used slurry being disposed of. We have demonstrated that Mn2O3 abrasive slurry polishes dielectric SiO2 film, giving 4 times the removal rate of conventional fumed silica slurry. The higher removal rate reduces the total amount of slurry used, consequently reducing the amount of used slurry waste. The removal rate of Mn2O3 slurry remains constant for solid concentrations between l and 10 wt %, and stays constant without pad conditioning. These characteristics are very useful for slurry reuse. Remanufacture of Mn2O3 slurry from used slurry has been demonstrated, and the removal rates of the remanufactured and fresh slurries are the same. Reuse and remanufacturing drastically reduce the amount of waste.

  5. Structural properties of Bi2O3-B2O3-SiO2-Na2O glasses for gamma ray shielding applications

    NASA Astrophysics Data System (ADS)

    Kaur, Kulwinder; Singh, K. J.; Anand, Vikas

    2016-03-01

    Glass samples of the xBi2O3-(0.70-x)B2O3-0.15SiO2-0.15Na2O (where x=0 up to 0.5 mol fraction) have been prepared in the laboratory by using melt quenching technique. 137Cs source has been used for experimental measurements of mass attenuation coefficient of γ-rays at 662 keV. Mass attenuation coefficient of our glass samples has been compared with standard nuclear radiation shield "barite concrete". It has been concluded that bismuth containing glass samples can be potential candidates for γ-ray shielding applications. Glasses must have appreciable elastic moduli values for their practical utility as γ-ray shields which are related to coordination number and non-bridging oxygens. Structural properties including coordination number and non-bridging oxygens of the structural units of the glass system have been estimated from the detailed analysis of Optical, Raman and FTIR spectra. Reported investigations can contribute to the development of transparent gamma ray shields.

  6. Diffusion of oxygen in amorphous Al{sub 2}O{sub 3}, Ta{sub 2}O{sub 5}, and Nb{sub 2}O{sub 5}

    SciTech Connect

    Nakamura, R. Tsukui, S.; Toda, T.; Tane, M.; Suzuki, T.; Ishimaru, M.; Nakajima, H.

    2014-07-21

    The self-diffusivity of oxygen in amorphous Al{sub 2}O{sub 3} (a-Al{sub 2}O{sub 3}), a-Ta{sub 2}O{sub 5}, and a-Nb{sub 2}O{sub 5} was investigated along with structural analysis in terms of pair distribution function (PDF). The low activation energy, ∼1.2 eV, for diffusion in the oxides suggests a single atomic jump of oxygen ions mediated via vacancy-like defects. However, the pre-exponential factor for a-Ta{sub 2}O{sub 5} and a-Nb{sub 2}O{sub 5} with lower bond energy was two orders of magnitude larger than that for a-Al{sub 2}O{sub 3} with higher bond energy. PDF analyses revealed that the short-range configuration in a-Ta{sub 2}O{sub 5} and a-Nb{sub 2}O{sub 5} was more broadly distributed than that in a-Al{sub 2}O{sub 3}. Due to the larger variety of atomic configurations of a-Ta{sub 2}O{sub 5} and a-Nb{sub 2}O{sub 5}, these oxides have a higher activation entropy for diffusion than a-Al{sub 2}O{sub 3}. The entropy term for diffusion associated with short-range structures was shown to be a dominant factor for diffusion in amorphous oxides.

  7. Cu2O and Au/Cu2O particles: surface properties and applications in glucose sensing.

    PubMed

    Won, Yu-Ho; Stanciu, Lia A

    2012-01-01

    In this work we investigated the surface and facet-dependent catalytic properties of metal oxide particles as well as noble metal/metal oxide heterogeneous structures, with cuprous oxide (Cu(2)O) and Au/Cu(2)O being selected as model systems. As an example of application, we explored the potential of these materials in developing electrocatalytic devices. Cu(2)O particles were synthesized in various shapes, then used for testing their morphology-dependent electrochemical properties applied to the detection of glucose. While we did not attempt to obtain the best detection limit reported to date, the octahedral and hexapod Cu(2)O particles showed reasonable detection limits of 0.51 and 0.60 mM, respectively, which are physiologically relevant concentrations. However, detection limit seems to be less affected by particle shapes than sensitivity. Heterogeneous systems where Au NPs were deposited on the surface of Cu(2)O particles were also tested with similar results in terms of the effect of surface orientation. PMID:23201983

  8. Gas sensing behaviour of Cr2O3 and W6+: Cr2O3 nanoparticles towards acetone

    NASA Astrophysics Data System (ADS)

    Kohli, Nipin; Hastir, Anita; Singh, Ravi Chand

    2016-05-01

    This paper reports the acetone gas sensing properties of Cr2O3 and 2% W6+ doped Cr2O3 nanoparticles. The simple cost-effective hydrolysis assisted co-precipitation method was adopted. Synthesized samples were characterized by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) techniques. XRD revealed that synthesized nanoparticles have corundum structure. The lattice parameters have been calculated by Rietveld refinement; and strain and crystallite size have been calculated by using the Williamson-Hall plots. For acetone gas sensing properties, the nanoparticles were applied as thick film onto alumina substrate and tested at different operating temperatures. The results showed that the optimum operating temperature of both the gas sensors is 250°C. At optimum operating temperature, the response of Cr2O3 and 2% W6+ doped Cr2O3 gas sensor towards 100 ppm acetone was found to be 25.5 and 35.6 respectively. The investigations revealed that the addition of W6+ as a dopant enhanced the sensing response of Cr2O3 nanoparticles appreciably.

  9. Phase equilibria investigations and thermodynamic modeling of the system Bi2O3-Al2O3

    NASA Astrophysics Data System (ADS)

    Oudich, F.; David, N.; Mathieu, S.; Vilasi, M.

    2015-02-01

    The system Bi2O3-Al2O3 has been experimentally investigated above 600 °C by DTA, XRD and EPMA under air and low oxygen pressure. Only two compounds were found to exist in equilibrium, which are Bi2Al4O9(1Bi2O3:2Al2O3) and Bi25AlO39(25:1). The latter exhibits a sillenite structure and does not contain pentavalent bismuth. A peritectoid decomposition of (25:1) and a peritectic melting of (1:2) occur at 775 °C and 1075 °C respectively, while an eutectic transformation was observed at 815 °C for 97 mol% Bi2O3. On the basis of the results obtained within the present work as well as experimental data provided from literature, a thermodynamic modeling where the liquid phase is described by the two-sublattice ionic liquid model was performed according to the Calphad approach. The resulting thermodynamic optimization yielded good agreement with experimental results in the investigated region.

  10. Dielectric spectra of Li 2O-CaF 2-P 2O 5 glasses doped by silver ions

    NASA Astrophysics Data System (ADS)

    Sambasiva Rao, K.; Srinivasa Reddy, M.; Ravi Kumar, V.; Veeraiah, N.

    2007-06-01

    Dielectric constant ε‧, loss tan δ and a.c. conductivity σ( ω) Li 2O-CaF 2-P 2O 5 glasses doped with small concentrations of Ag 2O (ranging from 0 to 1.0 mol%) are studied as a function of frequency and temperature over moderately wide ranges. The variation of dielectric loss with temperature for these glasses has exhibited dielectric relaxation effects. The relaxation effects have been analyzed by a pseudo Cole-Cole plot method and the spreading of relaxation times has been established. The variation of a.c. conductivity with the concentration of Ag 2O pass through a minimum at 0.6 mol% Ag 2O. In the high-temperature region, the a.c. conduction seems to be connected with the mixed conduction, viz., electronic and ionic conduction. The low-temperature part of the a.c. conductivity which is observed to be nearly temperature independent has been explained on the basis of quantum mechanical-tunneling (QMT) model. The results have been further analyzed in detail with the aid of the data on optical absorption, IR and Raman spectral studies.

  11. Cu2O and Au/Cu2O Particles: Surface Properties and Applications in Glucose Sensing

    PubMed Central

    Won, Yu-Ho; Stanciu, Lia A.

    2012-01-01

    In this work we investigated the surface and facet-dependent catalytic properties of metal oxide particles as well as noble metal/metal oxide heterogeneous structures, with cuprous oxide (Cu2O) and Au/Cu2O being selected as model systems. As an example of application, we explored the potential of these materials in developing electrocatalytic devices. Cu2O particles were synthesized in various shapes, then used for testing their morphology-dependent electrochemical properties applied to the detection of glucose. While we did not attempt to obtain the best detection limit reported to date, the octahedral and hexapod Cu2O particles showed reasonable detection limits of 0.51 and 0.60 mM, respectively, which are physiologically relevant concentrations. However, detection limit seems to be less affected by particle shapes than sensitivity. Heterogeneous systems where Au NPs were deposited on the surface of Cu2O particles were also tested with similar results in terms of the effect of surface orientation. PMID:23201983

  12. FT-IR and thermoluminescence investigation of P2O5-BaO-K2O glass system

    NASA Astrophysics Data System (ADS)

    Ivascu, C.; Timar-Gabor, A.; Cozar, O.

    2013-11-01

    The 0.5P2O5ṡxBaOṡ(0.5-x)K2O glass system (0≤x≤0.5mol%) is investigated by FT-IR and thermoluminescence as a possible dosimetic material. FT-IR spectra show structural network modifications with the composition variations of the studied glasses. The predominant absorption bands are characterized by two broad peaks near 500 cm-1, two weak peaks around 740 cm-1 and three peaks in the 900-1270 cm-1 region. The shift in the position of the band assigned to asymmetric stretching of PO2- group, υas(PO2-) modes from ˜1100 cm-1 to 1085 cm-1 and the decrease in its relative intensity with the increasing of K2O content shows a network modifier role of this oxide.. Luminescence investigations show that by adding modifier oxides in the phosphate glass a dose dependent TL signals result upon irradiation. Thus P2O5-BaO-K2O glass system is a possible candidate material for dosimetry in the dose 0 - 50 Gy range.

  13. Biologically produced volatile compounds: N2O emissions from soils

    NASA Technical Reports Server (NTRS)

    Banin, A.

    1985-01-01

    Tropospheric nitrous concentration has increased by 0.2 0.4% per year over the period 1975 to 1982, amounting to net addition to the atmosphere of 2.8 - 5.6 Tg N2O-N per year. This perturbation, if continued into the future, will affect stratospheric chemical cycles, and the thermal balance of the Earth. In turn it will have direct and indirect global effects on the biosphere. Though the budget and cycles of N2O on Earth are not yet fully resolved, accumulating information and recent modelling efforts permit a more complete evaluation and better definition of gaps in our knowledge.

  14. NASA Lewis H2-O2 MHD program

    NASA Technical Reports Server (NTRS)

    Smith, M.; Nichols, L. D.; Seikel, G. R.

    1974-01-01

    Performance and power costs of H2-O2 combustion powered steam-MHD central power systems are estimated. Hydrogen gas is assumed to be transmitted by pipe from a remote coal gasifier into the city and converted to electricity in a steam MHD plant having an integral gaseous oxygen plant. These steam MHD systems appear to offer an attractive alternative to both in-city clean fueled conventional steam power plants and to remote coal fired power plants with underground electric transmission into the city. Status and plans are outlined for an experimental evaluation of H2-O2 combustion-driven MHD power generators at NASA Lewis Research Center.

  15. Magnetic Phase Transition in V2O3 Nanocrystals

    SciTech Connect

    V Blagojevic; J Carlo; L Brus; M Steigerwald; Y Uemura; S Billinge; W Zhou; P Stephens; A Aczel; G Luke

    2011-12-31

    V{sub 2}O{sub 3} nanocrystals can be synthesized through hydrothermal reduction in VO(OH){sub 2} using hydrazine as a reducing agent. Addition of different ligands to the reaction produces nanoparticles, nanorods, and nanoplatelets of different sizes. Small nanoparticles synthesized in this manner show suppression of the magnetic phase transition to lower temperatures. Using muon spin relaxation spectroscopy and synchrotron x-ray diffraction, we have determined that the volume fraction of the high-temperature phase, characterized by a rhombohedral structure and paramagnetism, gradually declines with decreasing temperature, in contrast to the sharp transition observed in bulk V{sub 2}O{sub 3}.

  16. Magnetic Phase Transition in V2O3 Nanocrystals

    SciTech Connect

    Billinge, S.; Blagojevic, V.A.; Carlo, J.P.; Brus, L.E.; Steigerwald, M.L.; Uemura, Y.J.; Billinge, S.J.L.; Zhou, W.; Stephens, P.W.; Aczel, A.A.; Luke, G.M.

    2010-09-30

    V{sub 2}O{sub 3} nanocrystals can be synthesized through hydrothermal reduction in VO(OH){sub 2} using hydrazine as a reducing agent. Addition of different ligands to the reaction produces nanoparticles, nanorods, and nanoplatelets of different sizes. Small nanoparticles synthesized in this manner show suppression of the magnetic phase transition to lower temperatures. Using muon spin relaxation spectroscopy and synchrotron x-ray diffraction, we have determined that the volume fraction of the high-temperature phase, characterized by a rhombohedral structure and paramagnetism, gradually declines with decreasing temperature, in contrast to the sharp transition observed in bulk V{sub 2}O{sub 3}.

  17. Maps of [HDO]/[H2O] near Mars’ Aphelion

    NASA Astrophysics Data System (ADS)

    Novak, Robert E.; Mumma, M. J.; Villanueva, G. L.

    2013-10-01

    We report maps of HDO and H2O taken at three seasonal points before and near Mars’ aphelion (Ls = 71°). These observations were taken at Ls = 357° (15 January 2006), Ls = 50° (26 March 2008) and Ls = 72° (2/3 April 2010) using CSHELL at the NASA Infrared Telescope Facility. For these three seasonal dates, the entrance slit of the spectrometer was positioned N-S on Mars centered at the sub-Earth point; on 3 April 2010, the slit was positioned E-W. Data were extracted at 0.6 arc-second intervals from the spectral-spatial images. Individual spectral lines were measured near 3.67 μm (HDO) and 3.29 μm (H2O). The column densities were obtained by comparing the observed lines to those of a multi-layered, radiative transfer model. The model includes solar Fraunhofer lines, two-way transmission through Mars’ atmosphere, thermal emission from Mars’ surface and atmosphere, and a one-way transmission through the Earth’s atmosphere. Latitudinal maps of HDO, H2O, and their ratios were then constructed. The [HDO]/[H2O] ratios have been found to be larger than those on Earth and they vary with both latitude and season. For the Ls = 357° and 50° observations, the ratio peaks near the sub-solar latitude ([HDO]/[H2O] ~ 6.9 VSMOW) and decreases towards both the North and South polar-regions. At Ls = 72°, column densities of both HDO and H2O and their ratios increase from the Southern hemisphere to the North polar-region. Observations from 3 April 2013 show diurnal variations of both the column densities and their ratio. Specific points on Mars’ surface were tracked for four hours. It is believed that this variation is caused by the vaporization of ground frost and water ice clouds that are formed during the night and disappear during daytime. Our results for H2O column densities will be compared to TES results. The results for HDO and the [HDO]/[H2O] ratios will be compared to model results.This work was partially funded by grants from NASA's Planetary Astronomy

  18. Experimental and theoretical studies of H2O oxidation by neutral Ti2O4,5 clusters under visible light irradiation.

    PubMed

    Yin, Shi; Bernstein, Elliot R

    2014-07-21

    A new photo excitation fast flow reactor system is constructed and used to investigate reactions of neutral TimOn clusters with H2O under visible (532 nm) light irradiation. Single photon ionization at 118 nm (10.5 eV) is used to detect neutral cluster distributions through time of flight mass spectrometry. TimOn clusters are generated through laser ablation of a titanium target in the presence of 4% O2/He carrier gas. Association products Ti2O4(H2O) and Ti2O5(H2O) are observed for reactions of H2O and TimOn clusters without irradiation. Under 532 nm visible light irradiation of the fast flow reactor, only the Ti2O5(H2O) feature disappears. This light activated reaction suggests that visible radiation can induce chemistry for Ti2O5(H2O), but not for Ti2O4(H2O). Density functional theory (DFT) and time-dependent (TD) DFT calculations are performed to explore the ground and first excited state potential energy surfaces (PES) for the reaction Ti2O5 + H2O → Ti2O4 + H2O2. A high barrier (1.33 eV) and a thermodynamically unfavorable (1.14 eV) pathway are obtained on the ground state PES for the Ti2O5 + H2O reaction; the reaction is also thermodynamically unfavorable (1.54 eV) on the first singlet excited state PES. The reaction is proposed to occur on the ground state PES through a conical intersection ((S1/S0)CI), and to generate products Ti2O4 and H2O2 on the ground state PES. This mechanism is substantiated by a multi-reference ab initio calculation at the complete active space self-consistent field (CASSCF) level. The S0-S1 vertical excitation energy of Ti2O4 (3.66 eV) is much higher than the 532 nm photon energy (2.33 eV), suggesting this visible light driven reaction is unfavorable for the Ti2O4 cluster. The TDDFT calculated optical absorption spectra of Ti2O4 and Ti2O5 further indicate that Ti2O5 like structures on a titanium oxide surface are the active catalytic sites for visible light photo-catalytic oxidation of water. PMID:24898817

  19. Selective catalytic reduction of NO with NH3 over V2O5 supported on TiO2 and Al2O3: A comparative study

    NASA Astrophysics Data System (ADS)

    Huang, Xianming; Zhang, Shule; Chen, Huinan; Zhong, Qin

    2015-10-01

    This study aimed at investigating the interaction of V2O5 species with TiO2 and Al2O3 supports to understand the effect of supports on SCR reaction. Analysis by XRD, BET, UV-vis, and DFT theoretical calculations, XPS, EPR and in situ DRIFT showed that the two kinds of supports could interact with V2O5. The interaction of electron excitation and charge transfer of supports to V2O5 species was important to the formation of the reduced V2O5. These aspects increased the formation of superoxide ions that could improve the NO oxidation over V2O5/TiO2. It was responsible for the higher SCR catalytic activity of V2O5/TiO2 than V2O5/Al2O3.

  20. Generating Breathable Air Through Dissociation of N2O

    NASA Technical Reports Server (NTRS)

    Zubrin, Robert; Frankie, Brian

    2006-01-01

    A nitrous oxide-based oxygen-supply system (NOBOSS) is an apparatus in which a breathable mixture comprising 2/3 volume parts of N2 and 1/3 volume part of O2 is generated through dissociation of N2O. The NOBOSS concept can be adapted to a variety of applications in which there are requirements for relatively compact, lightweight systems to supply breathable air. These could include air-supply systems for firefighters, divers, astronauts, and workers who must be protected against biological and chemical hazards. A NOBOSS stands in contrast to compressed-gas and cryogenic air-supply systems. Compressed-gas systems necessarily include massive tanks that can hold only relatively small amounts of gases. Alternatively, gases can be stored compactly in greater quantities and at low pressures when they are liquefied, but then cryogenic equipment is needed to maintain them in liquid form. Overcoming the disadvantages of both compressed-gas and cryogenic systems, the NOBOSS exploits the fact that N2O can be stored in liquid form at room temperature and moderate pressure. The mass of N2O that can be stored in a tank of a given mass is about 20 times the mass of compressed air that can be stored in a tank of equal mass. In a NOBOSS, N2O is exothermically dissociated to N2 and O2 in a main catalytic reactor. In order to ensure the dissociation of N2O to the maximum possible extent, the temperature of the reactor must be kept above 400 C. At the same time, to minimize concentrations of nitrogen oxides (which are toxic), it is necessary to keep the reactor temperature at or below 540 C. To keep the temperature within the required range throughout the reactor and, in particular, to prevent the formation of hot spots that would be generated by local concentrations of the exothermic dissociation reaction, the N2O is introduced into the reactor through an injector tube that features carefully spaced holes to distribute the input flow of N2O widely throughout the reactor. A NOBOSS

  1. THE HIGH TEMPERATURE CHEMICAL REACTIVITY OF LI2O

    SciTech Connect

    Kessinger, G.; Missimer, D.

    2009-11-13

    The ultimate purpose of this study was to investigate the use of a Li-Ca mixture for direct reduction of actinide oxides to actinide metals at temperatures below 1500 C. For such a process to be successful, the products of the reduction reaction, actinide metals, Li{sub 2}O, and CaO, must all be liquid at the reaction temperature so the resulting actinide metal can coalesce and be recovered as a monolith. Since the established melting temperature of Li{sub 2}O is in the range 1427-1700 C and the melting temperature of CaO is 2654 C, the Li{sub 2}O-CaO (lithium oxidecalcium oxide) pseudo-binary system was investigated in an attempt to identify the presence of low-melting eutectic compositions. The results of our investigation indicate that there is no evidence of ternary Li-Ca-O phases or solutions melting below 1200 C. In the 1200-1500 C range utilizing MgO crucibles, there is some evidence for the formation of a ternary phase; however, it was not possible to determine the phase composition. The results of experiments performed with ZrO{sub 2} crucibles in the same temperature range did not show the formation of the possible ternary phase seen in the earlier experiment involving MgO crucibles, so it was not possible to confirm the possibility that a ternary Li-Ca-O or Li-Mg-O phase was formed. It appears that the Li{sub 2}O-CaO materials reacted, to some extent, with all of the container materials, alumina (Al{sub 2}O{sub 3}), magnesia (MgO), zirconia (ZrO{sub 2}), and 95% Pt-5% Au; however, to clarify the situation additional experiments are required. In addition to the primary purpose of this study, the results of this investigation led to the conclusions that: (1) The melting temperature of Li{sub 2}O may be as low as 1250 C, which is considerably lower than the previously published values in the range 1427-1700 C; (2) Lithium oxide (Li{sub 2}O) vaporizes congruently; (3) Lithium carbonate and Li2O react with 95% Pt-5% Au, and also reacts with pure Pt; and (4

  2. New High-Pressure Phase in Fe2O3

    NASA Astrophysics Data System (ADS)

    Tsuchiya, T.; Nishiyama, N.; Yusa, H.; Tsuchiya, J.; Funakoshi, K.

    2009-12-01

    Hematite Fe2O3, a prototype of trivalent transition metal oxides, crystallizes in the antiferromagnetic (AFM) insulating phase with the corundum structure at ambient conditions. Extensive studies have been carried out to clarify its structural, magnetic, and electronic evolutions under high pressure due to the broad interests in hematite from condensed matter physics to geosciences. The high-pressure phase relation in Fe2O3 is also substantial to understand geophysically important MgSiO3-Fe2O3 phase equilibria. Those are however still yet to be clarified as for example, some in situ X-ray diffraction measurements using the diamond anvil cell (DAC) reported a phase change from Rh2O3(II) (or orthorhombic Pv) to the CaIrO3-type structure over 60 GPa, while an experiment using the Kawai-type apparatus with sintered diamond (SD) anvils suggested to stabilize a different phase with an unidentified orthorhombic structure at much lower pressure of 40~45 GPa. On the other hand, recent theoretical and experimental investigations of non-magnetic sesquioxide compounds have revealed an emerging systematics of their high-pressure phase sequence (Tsuchiya et al., 2005; Tsuchiya et al., 2007; Yusa et al., 2008; Yusa et al., 2009). While the CaIrO3-type phase with six and eight disproportionate coordination polyhedra was found to stabilize in Al2O3 and Ga2O3 at megabar pressure, several other compounds such as In2O3 and Sc2O3 were reported to transform directly to a further denser phase with the α-Gd2S3 structure composed only of high eight-fold coordination polyhedra at much lower pressure. Similarly to these studies, we searched for a stable form of Fe2O3 under pressure theoretically by means of the density-functional structurally consistent LDA+U method and succeeded to discover a new phase transformation from Rh2O3(II) at the pressure fairly close to that reported by the SD experiment. The high-pressure phase however has different lattice constants suggested experimentally and

  3. Improvement of crystallinity of GaN layers grown using Ga2O vapor synthesized from liquid Ga and H2O vapor

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Yohei; Taniyama, Yuuki; Takatsu, Hiroaki; Kitamoto, Akira; Imade, Mamoru; Yoshimura, Masashi; Isemura, Masashi; Mori, Yusuke

    2016-05-01

    Growth methods using Ga2O vapor allow long-term growth of bulk GaN crystals. Ga2O vapor is generated by the reduction of Ga2O3 powder with H2 gas (Ga2O3–H2 process) or by the oxidation of liquid Ga with H2O vapor (Ga–H2O process). We investigated the dependence of the properties of grown GaN layers on the synthesis of Ga2O. In the Ga–H2O process, the polycrystal density and full width at half maximum (FWHM) GaN(0002) X-ray rocking curves (XRC) at a high growth rate were lower than those in the Ga2O3–H2 process, and a GaN layer with FWHM of 99 arcsec and growth rate of 216 µm/h was obtained. A low H2O partial pressure in the growth zone improved crystallinity in the Ga–H2O process, realized by the high efficiency of conversion from liquid Ga to Ga2O vapor. We concluded that using Ga2O vapor in the Ga–H2O process has the potential for obtaining higher crystallinity with high growth rate.

  4. Bethe-Salpeter calculation of optical-absorption spectra of In2O3 and Ga2O3

    NASA Astrophysics Data System (ADS)

    Varley, Joel B.; Schleife, André

    2015-02-01

    Transparent conducting oxides keep attracting strong scientific interest not only due to their promising potential for ‘transparent electronics’ applications but also due to their intriguing optical absorption characteristics. Materials such as In2O3 and Ga2O3 have complicated unit cells and, consequently, are interesting systems for studying the physics of excitons and anisotropy of optical absorption. Since currently no experimental data is available, for instance, for their dielectric functions across a large photon-energy range, we employ modern first-principles computational approaches based on many-body perturbation theory to provide theoretical-spectroscopy results. Using the Bethe-Salpeter framework, we compute dielectric functions and we compare to spectra computed without excitonic effects. We find that the electron-hole interaction strongly modifies the spectra and we discuss the anisotropy of optical absorption that we find for Ga2O3 in relation to existing theoretical and experimental data.

  5. Magnetic properties of spin frustrated spinel ZnFe2O4/ZnCr2O4 superlattices

    NASA Astrophysics Data System (ADS)

    Murata, T.; Kozuka, Y.; Uchida, M.; Kawasaki, M.

    2015-11-01

    Superlattice films composed of frustrated spin systems, [ZnFe2O4]m/[ZnCr2O4]m, are grown on MgAl2O4 (111) substrates by pulsed laser deposition, and their frustrated magnetism is studied. The superlattice films show spin-glass behavior and the spin-glass transition temperature (Tg) varies nonmonotonically as a function of the layer thickness m. Tg increases with decreasing m due to an increase in the inhomogeneous exchange interaction between Cr3+ and Fe3+ at the interface. However, below m = 4, a decrease in Tg is observed. Compared with the solid solution Zn(CrFe)O4 film and the other superlattices, the decrease in Tg is considered to be a unique property of the periodically modulated short period superlattices.

  6. VizieR Online Data Catalog: Photodesorption of H2O, HDO and D2O ice (Arasa+, 2015)

    NASA Astrophysics Data System (ADS)

    Arasa, C.; Koning, J.; Kroes, G.-Jan; Walsh, C.; van Dishoeck, E. F.

    2015-03-01

    The data listed in this electronic table are the results of molecular dynamics simulations of water ice photodissociation and subsequent desorption mechanisms. Upon photoexcitation and dissociation of a water molecule within an ice mantle frozen onto an interstellar or circumstellar dust grain, there are several potential chemical outcomes, the probabilities for which are dependent upon ice temperature and ice monolayer. Here, we list the probabilities per monolayer as a function of temperature for each outcome following the dissociation of a H2O, HDO, or D2O molecule in water (H2O) ice. DOH refers to the dissociation of HDO into D+OH and HOD to the dissocation of HDO into H+OD; hence, the data contain probabilies for 4 dissociation events. These data have been compiled from the raw simulation data which considers around 6000 trajectories or initial conditions. (4 data files).

  7. Global Flux Balance in the Terrestrial H2O Cycle: Reconsidering the Post-Arc Subducted H2O Flux

    NASA Astrophysics Data System (ADS)

    Parai, R.; Mukhopadhyay, S.

    2010-12-01

    Quantitative estimates of H2O fluxes between the mantle and the exosphere (i.e., the atmosphere, oceans and crust) are critical to our understanding of the chemistry and dynamics of the solid Earth: the abundance and distribution of water in the mantle has dramatic impacts upon mantle melting, degassing history, structure and style of convection. Water is outgassed from the mantle is association with volcanism at mid-ocean ridges, ocean islands and convergent margins. H2O is removed from the exosphere at subduction zones, and some fraction of the subducted flux may be recycled past the arc into the Earth’s deep interior. Estimates of the post-arc subducted H2O flux are primarily based on the stability of hydrous phases at subduction zone pressures and temperatures (e.g. Schmidt and Poli, 1998; Rüpke et al., 2004; Hacker, 2008). However, the post-arc H2O flux remains poorly quantified, in part due to large uncertainties in the water content of the subducting slab. Here we evaluate estimated post-arc subducted fluxes in the context of mantle-exosphere water cycling, using a Monte Carlo simulation of the global H2O cycle. Literature estimates of primary magmatic H2O abundances and magmatic production rates at different tectonic settings are used with estimates of the total subducted H2O flux to establish the parameter space under consideration. Random sampling of the allowed parameter space affords insight into which input and output fluxes satisfy basic constraints on global flux balance, such as a limit on sea-level change over time. The net flux of H2O between mantle and exosphere is determined by the total mantle output flux (via ridges and ocean islands, with a small contribution from mantle-derived arc output) and the input flux subducted beyond the arc. Arc and back-arc output is derived mainly from the slab, and therefore cancels out a fraction of the trench intake in an H2O subcycle. Limits on sea-level change since the end of the Archaean place

  8. New Optical Constants for Amorphous and Crystalline H2O-ice and H2O-mixtures.

    NASA Technical Reports Server (NTRS)

    Mastrapa, Rachel; Bernstein, Max; Sandford, Scott

    2006-01-01

    We will present the products of new laboratory measurements of ices relevant to Trans-Neptunian Objects. We have calculated the real and imaginary indices of refraction for amorphous and crystalline H2O-ice and also H2O-rich ices containing other molecular species. We create ice samples by condensing gases onto a cold substrate. We measure the thickness of the sample by reflecting a He-Ne laser off of the sample and counting interference fringes as it grows. We then collect transmission spectra of the samples in the wavelength range from 0.7-22 micrometers. Using the thickness and the transmission spectra of the ice we calculate the imaginary part of the index of refraction. We then use a Kramers-Kronig calculation to calculate the real part of the index of refraction (Berland et al. 1994; Hudgins et al. 1993). These optical constants can then be used to create model spectra for comparison to spectra from Solar System objects, including TNOs. We will summarize the difference between the amorphous and crystalline H2O-ice spectra. These changes include weakening of features and shifting of features to shorter wavelength. One important result is that the 2 pm feature is stronger in amorphous H2O ice than it is in crystalline H2O-ice. We will also discuss the changes seen when H2O is mixed with other components, including CO2, CH4, HCN, and NH3 (Bernstein et al. 2005; Bernstein et al. 2006).

  9. Rovibrational energy levels of the F(-)(H2O) and F(-)(D2O) complexes.

    PubMed

    Sarka, János; Lauvergnat, David; Brites, Vincent; Császár, Attila G; Léonard, Celine

    2016-06-29

    The variational nuclear-motion codes ElVibRot and GENIUSH have been used to compute rotational-vibrational states of the F(-)(H2O) anion and its deuterated isotopologue, F(-)(D2O), employing a full-dimensional, semiglobal potential energy surface (PES) called SLBCL, developed as part of this study for the ground electronic state of the complex. The PES is determined from all-electron, explicitly correlated coupled-cluster singles, doubles, and connected triples [CCSD(T)-F12a] computations with an atom-centered, fixed-exponent Gaussian basis set of cc-pCVTZ-F12 quality. The SLBCL PES accurately reproduces the two equivalent minima of the complex, the corresponding transition barrier of C2v point-group symmetry, as well as the proton transfer and the dissociation asymptotes towards the products HF + OH(-) and F(-) + H2O, respectively. The code ElVibRot has been updated so that it can use curvilinear internal coordinates corresponding to a reaction path. The variationally computed vibrational energy levels are compared to relevant experimental and previously determined first-principles results. The vibrational states reveal the presence of pronounced anharmonic effects and considerable intermode couplings resulting in strong resonances, involving in particular the HOH bend and the ionic OH stretch motions. Tunneling results in particularly significant splittings for F(-)(H2O); as expected, the splittings are orders of magnitude smaller for the F(-)(D2O) molecule. The rovibrational energy levels reveal that, despite the large-amplitude vibrational motions, the rotations of F(-)(H2O) basically follow rigid-rotor characteristics. PMID:27306786

  10. A laser flash photolysis kinetics study of the reaction OH + H2O2 yields HO2 + H2O

    NASA Technical Reports Server (NTRS)

    Wine, P. H.; Semmes, D. H.; Ravishankara, A. R.

    1981-01-01

    Absolute rate constants for the reaction are reported as a function of temperature over the range 273-410 K. OH radicals are produced by 266 nm laser photolysis of H2O2 and detected by resonance fluorescence. H2O2 concentrations are determined in situ in the slow flow system by UV photometry. The results confirm the findings of two recent discharge flow-resonance fluorescence studies that the title reaction is considerably faster, particularly at temperatures below 300 K, than all earlier studies had indicated. A table giving kinetic data from the reaction is included.

  11. Epitaxial growth of (1 1 1)-oriented spinel CoCr2O4/Al2O3 heterostructures

    NASA Astrophysics Data System (ADS)

    Liu, Xiaoran; Choudhury, D.; Cao, Yanwei; Middey, S.; Kareev, M.; Meyers, D.; Kim, J.-W.; Ryan, P.; Chakhalian, J.

    2015-02-01

    High quality (1 1 1)-oriented CoCr2O4/Al2O3 heterostructures were synthesized on the sapphire (0 0 0 1) single crystal substrates by pulsed laser deposition. The structural properties are demonstrated by in-situ reflection high energy electron diffraction, atomic force microscopy, X-ray reflectivity, and X-ray diffraction. X-ray photoemission spectroscopy confirms that the films possess the proper chemical stoichiometry. This work offers a pathway to fabricating spinel type artificial quasi-two-dimensional frustrated lattices by means of geometrical engineering.

  12. Magnetic properties of ZnFe2O4 nanoparticles

    NASA Astrophysics Data System (ADS)

    Guskos, Niko; Glenis, Spiros; Typek, Janusz; Zolnierkiewicz, Grzegorz; Berczynski, Pawel; Wardal, Kamil; Guskos, Aleksander; Sibera, Daniel; Moszyński, Dariusz; Lojkowski, Witold; Narkiewicz, Urszula

    2012-04-01

    Fine particles of ZnFe2O4 were synthesized by a wet chemical method in the (80 wt.% Fe2O3 + 20 wt.% ZnO) system. The morphological and structural properties of the mixed system were investigated by scanning electron microscopy, X-ray diffraction, inductively coupled plasma atomic emission, and X-ray photoelectron spectroscopy. The major phase was determined to be the ZnFe2O4 spinel with particle size of 11 nm. The magnetic properties of the material were investigated by ferromagnetic resonance (FMR) in the temperature range from liquid helium to room temperature. A very intense, asymmetric FMR signal from ZnFe2O4 nanoparticles was recorded, which has been analyzed in terms of two Callen-lineshape lines. Temperature dependence of the FMR parameters was obtained from fitting the experimental lines with two component lines. Analysis of the FMR spectra in terms of two separate components indicates the presence of strongly anisotropic magnetic interactions.

  13. Optical and fluorescence spectroscopy of Eu2O3-doped P2O5-K2O-KF-MO-Al2O3 (M = Mg, Sr and Ba) glasses

    NASA Astrophysics Data System (ADS)

    Kumar, K. Upendra; Babu, S. Surendra; Rao, Ch. Srinivasa; Jayasankar, C. K.

    2011-06-01

    Fluorophosphate glasses of composition, P2O5 + K2O + KF + MO + Al2O3 + xEu2O3 (M = Mg, Sr and Ba; x = 0.01, 0.05, 0.1, 1.0, 2.0, 4.0 and 6.0 mol%) were prepared and characterized their optical properties. Crystal-field (CF) analysis revealed a relatively weak CF strength around Eu3+ ions in the Ba based fluorophosphate glasses. The Judd-Ofelt parameters have been estimated from the oscillator strengths of 7F0 → 5D2, 7F0 → 5D4 and 7F0 → 5L6 absorption transitions of Eu3+ ions and were used to evaluate the radiative properties of the 5D0 → 7FJ (J = 0-4) transitions. Considerable variation has been observed in the relative intensity ratio of 5D0 → 7F2 to 5D0 → 7F1 transitions of Eu3+ ions due to change in the alkaline earth metal ions. The decay of the 5D0 level shows single exponential and less sensitive to Eu3+ ions concentration as well as MgO/SrO/BaO modifiers.

  14. Preformance Analysis of NH3-H2O Absorption Cycle

    NASA Astrophysics Data System (ADS)

    Tsujimori, Atsushi; Ozaki, Eiichi

    Different from H2O-LiBr absorption cycle, it is necessary to have rectifier between generator and condenser in NH3-H2O absorption cycle, because there mixes some steam in refrigerant vapor in the process of regenerating refrigerant from the ammonia strong aqueous solution. And in some case ex. partial load or heating, the efficiency of rectifier might decrease, if the flow rate of refrigerant vapor and ammonia aqueous solution decrease. As a result, steam flow into condenser with ammonia refrigerant vapor, which reduces cycle COPs of cooling and heating. Accordingly in order to evaluate the effect of ammonia concentration in refrigerant for the performance of NH3-H2O absorption heat pump, the simple design approach of modeling condenser and evaporator is introduced in this paper. In the model, the calculation of heat rate in condenser and evaporator was simplified considering the characteristic of NH3-H2O liquid-vapor equilibrium. Then the simulation for cycle perforance based on GAX absorption cycle was made using the efficiency of rectifier that established the ammonia concentration in refrigerant and it was derived that 3 [%] decrease of ammonia concentration in refrigerant induced 15 [%] decrcase of cooling COP and 7 [%] decrease of heating COP and that there existed the most suitable circulation ratio for each ammonia concentration in refrigerant.

  15. Structural characterisation of Fe2O3 nanoparticles

    NASA Astrophysics Data System (ADS)

    Hagelstein, Michael; Vinga Szabó, Dorothée; Schlabach, Sabine; Masala, Paolo; Scavini, Marco; Coduri, Mauro; Ferrero, Claudio

    2016-05-01

    The structure of nano-crystalline Fe2O3 particles, synthesized using the microwave plasma technique, has been analysed using synchrotron based X-ray absorption spectroscopy and X-ray powder diffraction, as well as transmission electron microscopy. Furthermore, magnetic properties, the crystal structure, and the microstructures are compared and the potential model character of the samples for structure simulations is discussed.

  16. High performance N2O4/amine elements blowapart

    NASA Technical Reports Server (NTRS)

    1979-01-01

    Hypergolic earth-storable N2O4/Amine propellants are used for a wide range of liquid propulsion system applications. These propellants are highly reactive and can experience reactive stream separation (RSS, i.e., blowapart) which can inhibit intraelement mixing, hence reducing the overall spray mixture ratio and mass distribution, which can result in altered combustion efficiency, gas-side heat transfer coefficient, and stability. An experimental and analytical program was conducted to develop an understanding of the mechanisms controlling RSS. The program and product was development of design criteria for coping with RSS to allow the design of high performing, stable injectors. RSS mechanisms were identified using high speed color photography to observe reactive stream mixing of single element injectors tested with N2O4/MMH, N2O4/A-50, and N2O4/N2H4 propellants. The parametric characterization included modeling of the Space Shuttle Orbital Maneuvering System and Reaction Control System engine injectors.

  17. Multidimentional Normal Mode Calculations for the OH Vibrational Spectra of (H_2O)_3^+, (H_2O)_3^+Ar, H^+(H_2O)_3, and H^+(H_2O)_3Ar

    NASA Astrophysics Data System (ADS)

    Li, Ying-Cheng; Chuang, Hsiao-Han; Tan, Jake Acedera; Takahashi, Kaito; Kuo, Jer-Lai

    2014-06-01

    Recent experimental observations of (H_2O)_3^+, (H_2O)_3^+Ar, H^+(H_2O)_3, and H^+(H_2O)_3Ar clusters in the region 1400-3800 wn show that the OH stretching vibration has distinct characteristics. Multidimensional normal mode calculations were carried out for OH stretching vibrations in the 1200-4000 wn photon energy range. The potential energy and dipole surfaces were evaluated by using first-principles methods. By comparing the calculated frequencies and intensities of OH stretching vibration with experimental spectra, we found that the assignment of OH strecthing of H_3O^+ moiety and free OH strectching vibration have resonable agreement with experimental data. Jeffrey M. Headrick, Eric G. Diken, Richard S. Walters, Nathan I. Hammer, Richard A. Christie, Jun Cui, Evgeniy M. Myshakin, Michael A. Duncan, Mark A. Johnson, Kenneth D. Jordan, Science, 2005, 17, 1765. Kenta Mizuse, Jer-Lai Kuo and Asuka Fujii, Chem. Sci., 2011, 2, 868 Kenta Mizuse and Asuka Fujii, J. Phys. Chem. A, 2013, 117, 929.

  18. Structures and energetics of Ga2O3 polymorphs

    NASA Astrophysics Data System (ADS)

    Yoshioka, S.; Hayashi, H.; Kuwabara, A.; Oba, F.; Matsunaga, K.; Tanaka, I.

    2007-08-01

    First-principles calculations are made for five Ga2O3 polymorphs. The structure of ɛ-Ga2O3 with the space group Pna 21 (No. 33, orthorhombic), which is sometimes called κ-Ga2O3 in the literature, is consistent with experimental reports. The structure of γ-Ga2O3 is optimized within 14 inequivalent configurations of defective spinel structures. Phonon dispersion curves of four polymorphs are obtained. The volume expansivity, bulk modulus, and specific heat at constant volume are computed as a function of temperature within the quasi-harmonic approximation. The Helmholtz free energies of the polymorphs are thus compared. The expansivity shows a relationship of β<ɛ<α<δ, while β<ɛ<δ<α for the bulk modulus. The formation free energies have the tendency β<ɛ<α<δ<γ at low temperatures. With the increase of temperature, the difference in free energy between the β-phase and the ɛ-phase becomes smaller. Eventually the ɛ phase becomes more stable at above 1600 K.

  19. Freezing of heavy water (D2O) nanodroplets.

    PubMed

    Bhabhe, Ashutosh; Pathak, Harshad; Wyslouzil, Barbara E

    2013-07-01

    We follow the freezing of heavy water (D2O) nanodroplets formed in a supersonic nozzle apparatus using position resolved pressure trace measurements, Fourier transform infrared spectroscopy, and small-angle X-ray scattering. For these 3-9 nm radii droplets, freezing starts between 223 and 225 K, at volume based ice nucleation rates Jice,V on the order of 10(23) cm(-3) s(-1) or surface based ice nucleation rates Jice,S on the order of 10(16) cm(-2) s(-1). The temperatures corresponding to the onset of D2O ice nucleation are higher than those reported for H2O by Manka et al. [Manka, A.; Pathak, H.; Tanimura, S.; Wölk, J.; Strey, R.; Wyslouzil, B. E. Phys. Chem. Chem. Phys.2012, 14, 4505]. Although the values of Jice,S scale somewhat better with droplet size than values of Jice,V, the data are not accurate enough to state that nucleation is surface initiated. Finally, using current estimates of the thermophysical properties of D2O and the theoretical framework presented by Murray et al. [Murray, B. J.; Broadley, S. L.; Wilson, T. W.; Bull, S. J.; Wills, R. H.; Christenson, H. K.; Murray, E. J. Phys. Chem. Chem. Phys.2010, 12, 10380], we find that the theoretical ice nucleation rates are within 3 orders of magnitude of the measured rates over an ∼15 K temperature range. PMID:23763363

  20. Recent progress in Ga2O3 power devices

    NASA Astrophysics Data System (ADS)

    Higashiwaki, Masataka; Sasaki, Kohei; Murakami, Hisashi; Kumagai, Yoshinao; Koukitu, Akinori; Kuramata, Akito; Masui, Takekazu; Yamakoshi, Shigenobu

    2016-03-01

    This is a review article on the current status and future prospects of the research and development on gallium oxide (Ga2O3) power devices. Ga2O3 possesses excellent material properties, in particular for power device applications. It is also attractive from an industrial viewpoint since large-size, high-quality wafers can be manufactured from a single-crystal bulk synthesized by melt-growth methods. These two features have drawn much attention to Ga2O3 as a new wide bandgap semiconductor following SiC and GaN. In this review, we describe the recent progress in the research and development on fundamental technologies of Ga2O3 devices, covering single-crystal bulk and wafer production, homoepitaxial thin film growth by molecular beam epitaxy and halide vapor phase epitaxy, as well as device processing and characterization of metal-semiconductor field-effect transistors, metal-oxide-semiconductor field-effect transistors and Schottky barrier diodes.

  1. Equilibrium in the clinoptilolite-H{sub 2}O system

    SciTech Connect

    Carey, J.W.; Bish, D.L.

    1996-07-01

    A thermodynamic formulation for the sorption of H{sub 2}O in clinoptilolite has been obtained from analysis of equilibrium data collected by thermogravimetry on near endmember Ca-, Na-, and K-exchanged natural clinoptilolite (Fish Creek Mountains, Nevada). Temperature and pressure of the experiments ranged from 25 to 250 {degrees}C and 0.2 to 35 mbar H{sub 2}O vapor pressure. Equilibrium of three clinoptilolite species was successfully formulated with the following expression for the Gibbs free energy of hydration as a function of temperature and pressure: {Delta}{mu}{sub Hy}/T = {Delta}{mu}{sub Hy}{sup 0}/T{sub 0} + {Delta}H{sub Hy}{sup 0}(1/T - 1/T{sub 0}) - 3R[ln(T/T{sub 0}) + (T{sub 0}/T - 1)] + R ln[{theta}/(1 - {theta})P] + W{sub 1}/T{theta} + W{sub 2}/T{theta}{sup 2} where R is the gas constant, P is the vapor pressure of H{sub 2}O, W{sub 1} and W{sub 2} are the excess mixing parameters, and {theta} is the ratio H{sub 2}O/(maximum H{sub 2}O) with maximum water contents for the K, Na, and Ca end-members of 13.49, 15.68, and 16.25 wt%, respectively. The molar Gibbs free energy of hydration for calcium, sodium, and potassium clinoptilolite is -36.13 {plus_minus} 3.02, -29.68 {plus_minus} 3.77, and -25.53 {plus_minus} 1.37 kJ/mol H{sub 2}O, respectively. The molar enthalpy of hydration for these phases is -76.92 {plus_minus} 2.88, -74.19 {plus_minus} 3.46, and -67.78 {plus_minus} 1.25 kJ/mol H{sub 2}O. The thermodynamic formulation is applied to the occurrence of clinoptilolite at Yucca Mountain, Nevada, where the proposed emplacement of nuclear waste would lead to heating of clinoptilolite-bearing tuffs. Rock units with abundant clinoptilolite (or by analogy other hydrous phases) would remain significantly cooler than units with anhydrous minerals and would evolve a substantial volume of water. 21 refs., 11 figs., 5 tabs.

  2. Phase evolution of Na2O-Al2O3-SiO2-H2O gels in synthetic aluminosilicate binders.

    PubMed

    Walkley, Brant; San Nicolas, Rackel; Sani, Marc-Antoine; Gehman, John D; van Deventer, Jannie S J; Provis, John L

    2016-04-01

    This study demonstrates the production of stoichiometrically controlled alkali-aluminosilicate gels ('geopolymers') via alkali-activation of high-purity synthetic amorphous aluminosilicate powders. This method provides for the first time a process by which the chemistry of aluminosilicate-based cementitious materials may be accurately simulated by pure synthetic systems, allowing elucidation of physicochemical phenomena controlling alkali-aluminosilicate gel formation which has until now been impeded by the inability to isolate and control key variables. Phase evolution and nanostructural development of these materials are examined using advanced characterisation techniques, including solid state MAS NMR spectroscopy probing (29)Si, (27)Al and (23)Na nuclei. Gel stoichiometry and the reaction kinetics which control phase evolution are shown to be strongly dependent on the chemical composition of the reaction mix, while the main reaction product is a Na2O-Al2O3-SiO2-H2O type gel comprised of aluminium and silicon tetrahedra linked via oxygen bridges, with sodium taking on a charge balancing function. The alkali-aluminosilicate gels produced in this study constitute a chemically simplified model system which provides a novel research tool for the study of phase evolution and microstructural development in these systems. Novel insight of physicochemical phenomena governing geopolymer gel formation suggests that intricate control over time-dependent geopolymer physical properties can be attained through a careful precursor mix design. Chemical composition of the main N-A-S-H type gel reaction product as well as the reaction kinetics governing its formation are closely related to the Si/Al ratio of the precursor, with increased Al content leading to an increased rate of reaction and a decreased Si/Al ratio in the N-A-S-H type gel. This has significant implications for geopolymer mix design for industrial applications. PMID:26911317

  3. Facile template free synthesis of Gd2O(CO3)2·H2O chrysanthemum-like nanoflowers and luminescence properties of corresponding Gd2O3:RE3+ spheres.

    PubMed

    Raju, G Seeta Rama; Pavitra, E; Yu, Jae Su

    2013-08-28

    Trivalent rare-earth (RE(3+) = Eu(3+), Tb(3+), Dy(3+), and Sm(3+)) ions activated Gd2O(CO3)2·H2O chrysanthemum-like flowers are prepared by a modified urea-based homogeneous precipitation via a template free hydrothermal synthesis route. Subsequently, Gd2O3 monodispersed spheres were obtained after calcining at 750 °C. The growth mechanism of the Gd2O(CO3)2·H2O:RE(3+) chrysanthemum-like morphology (homogeneous precipitation) and their transformation to monodispersed spheres (heterogeneous nucleation) are established by taking scanning electron microscope and transmission electron microscope images of the intermediate products. The thermogravimetric analysis, Fourier transform infrared analyses confirmed the decomposition of CO2 and OH groups, and the corresponding XRD patterns exhibited the Gd2O(CO3)2·H2O and cubic Gd2O3 phases. The photoluminescence measurements are used to explore the emission behavior of different RE(3+) ions activated Gd2O3 spheres. The Gd2O3:Eu(3+) shows gorgeous red emission with high purity red color as compared to the commercial Y2O3:Eu(3+) phosphors. Gd2O3:Tb(3+), Gd2O3:Dy(3+) and Gd2O3:Sm(3+) exhibit green, yellow and rich orange emissions, respectively. The Tb(3+)/Eu(3+) co-doped sample shows warm white light by controlling the energy transfer. At minimal parameters, the cathodoluminescence intensity of Gd2O3:Eu(3+) is beyond the experimental limit for 5 kV of accelerating voltage. The CIE chromaticity coordinates were also calculated from the PL and CL spectra of RE(3+) ions to establish their color richness. PMID:23817306

  4. Epitaxial growth of Sc2O3 films on Gd2O3-buffered Si substrates by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Paulraj, Joseph; Wang, Rongping; Sellars, Matthew; Luther-Davies, Barry

    2016-04-01

    We investigated the optimal conditions to prepare high-quality Sc2O3 films on Gd2O3-buffered Si wafers using pulsed laser deposition technique with an aim at developing waveguide devices that can transform the performance of the gradient echo quantum memory based on bulk crystals. Under the optimal conditions, only oxide and Si (2 2 2) peaks appeared in the X-ray diffraction pattern. The Sc2O3 (2 2 2) diffraction peak was located at 2 θ = 31.5° with a full width at half maxima (FWHM) of 0.16°, and its rocking curve had a FWHM of 0.10°. In-plane epitaxial relationship was confirmed by X-ray pole figure where Sc2O3 (1 1 1) was parallel to Si (1 1 1). High-resolution TEM images indicated clear interfaces and perfect lattice images with sharp electron diffraction dots. All these results confirm that the oxide films on Si were single crystalline with high quality.

  5. Giant magnetocaloric effect in magnetically frustrated EuHo2O4 and EuDy2O4 compounds

    NASA Astrophysics Data System (ADS)

    Midya, A.; Khan, N.; Bhoi, D.; Mandal, P.

    2012-09-01

    We have investigated the magnetic and magnetocaloric properties of EuHo2O4 and EuDy2O4 by magnetization and heat capacity measurements down to 2 K. These compounds undergo a field-induced antiferromagnetic to ferromagnetic transition and exhibit a huge entropy change. For a field change of 0-8 T, the maximum magnetic entropy and adiabatic temperature changes are 30 (25) J kg-1 K-1 and 12.7 (16) K, respectively, and the corresponding value of refrigerant capacity is 540 (415) J kg-1 for EuHo2O4 (EuDy2O4). These magnetocaloric parameters also remain large down to lowest temperature measured and are even larger than that for some of the potential magnetic refrigerants reported in the same temperature range. Moreover, these materials are highly insulating and exhibit no thermal and field hysteresis, fulfilling the necessary conditions for a good magnetic refrigerant in the low-temperature region.

  6. Sc2O@C(3v)(8)-C82: A Missing Isomer of Sc2O@C82.

    PubMed

    Tang, Qiangqiang; Abella, Laura; Hao, Yajuan; Li, Xiaohong; Wan, Yingbo; Rodríguez-Fortea, Antonio; Poblet, Josep M; Feng, Lai; Chen, Ning

    2016-02-15

    By introducing CO2 as the oxygen source during the arcing process, a new isomer of Sc2O@C82, Sc2O@C(3v)(8)-C82, previously investigated only by computational studies, was discovered and characterized by mass spectrometry, UV-vis-NIR absorption spectroscopy, cyclic voltammetry, (45)Sc NMR, density functional theory (DFT) calculations, and single-crystal X-ray diffraction. The crystallographic analysis unambiguously elucidated that the cage symmetry was assigned to C(3v)(8) and suggests that Sc2O cluster is disordered inside the cage. The comparative studies of crystallographic data further reveal that the Sc1-O-Sc2 angle is in the range of 131.0-148.9°, much larger than that of the Sc2S@C(3v)(8)-C82, demonstrating a significant flexibility of dimetallic clusters inside the cages. The electrochemical studies show that the electrochemical gap of Sc2O@C(3v)(8)-C82 is 1.71 eV, the largest among those of the oxide cluster fullerenes (OCFs) reported so far, well correlated with its rich abundance in the reaction mixture of OCF synthesis. Moreover, the comparative electrochemical studies suggest that both the dimetallic clusters and the cage structures have major influences on the electronic structures of the cluster fullerenes. Computational studies show that the cluster can rotate and change the Sc-O-Sc angle easily at rather low temperature. PMID:26840749

  7. Oxidative degradation of endotoxin by advanced oxidation process (O3/H2O2 & UV/H2O2).

    PubMed

    Oh, Byung-Taek; Seo, Young-Suk; Sudhakar, Dega; Choe, Ji-Hyun; Lee, Sang-Myeong; Park, Youn-Jong; Cho, Min

    2014-08-30

    The presence of endotoxin in water environments may pose a serious public health hazard. We investigated the effectiveness of advanced oxidative processes (AOP: O3/H2O2 and UV/H2O2) in the oxidative degradation of endotoxin. In addition, we measured the release of endotoxin from Escherichia coli following typical disinfection methods, such as chlorine, ozone alone and UV, and compared it with the use of AOPs. Finally, we tested the AOP-treated samples in their ability to induce tumor necrosis factor alpha (TNF-α) in mouse peritoneal macrophages. The production of hydroxyl radical in AOPs showed superior ability to degrade endotoxin in buffered solution, as well as water samples from Korean water treatment facilities, with the ozone/H2O2 being more efficient compared to UV/H2O2. In addition, the AOPs proved effective not only in eliminating E. coli in the samples, but also in endotoxin degradation, while the standard disinfection methods lead to the release of endotoxin following the bacteria destruction. Furthermore, in the experiments with macrophages, the AOPs-deactivated endotoxin lead to the smallest induction of TNF-α, which shows the loss of inflammation activity, compared to ozone treatment alone. In conclusion, these results suggest that AOPs offer an effective and mild method for endotoxin degradation in the water systems. PMID:25038578

  8. The influence of Cu2O crystal structure on the Cu2O/ZnO heterojunction photovoltaic performance

    NASA Astrophysics Data System (ADS)

    Elfadill, Nezar G.; Hashim, M. R.; Chahrour, Khaled M.; Qaeed, M. A.; Bououdina, M.

    2015-09-01

    Cuprous oxide (Cu2O) films were potentiostatically electrodeposited onto platinum (Pt) film coated onto silicon (Si) wafer from lactic solution at pH 9. The influence of applied potential on Cu2O crystal structure was carefully examined. At higher electrochemical applied potential, a polycrystalline structure was observed, and then as the applied potential decreased, a single crystalline structure oriented along (1 1 1) was obtained. Further decrease in the applied potential leads to the formation of a polycrystalline structure and finally at much lower applied potential, a single crystalline structure growing along (2 0 0) orientation (equivalent to (1 0 0) orientation) was revealed. Cu2O/ZnO heterojunction photodiodes based on these three crystal structures were fabricated and studied under dark and illuminated conditions. The best performance of the solar cell efficiency was achieved by the heterojunction based on (1 1 1) oriented Cu2O film (≈1.45%) compared to other structures (0.34% and 0.25%), which may be attributed to the formation of high quality heterojunction interface due to the heteroepitaxial-like growth of (0 0 2) oriented ZnO.

  9. Impedance spectroscopy study of SiO2-Li2O:Nd2O3 glasses

    SciTech Connect

    Pereia, R.; Gozzo, C B; Guedes, I.; Boatner, Lynn A; Terezo, A J; Costa, M M

    2014-01-01

    In the present study, neodymium-doped lithium silicate glasses have been prepared by the conventional melt-quenching technique. The dielectric properties, electric modulus and electrical conductivity of SiO2-Li2O (SiLi-0Nd) and SiO2-Li2O:Nd2O3 (SiLi-1.35Nd) have been studied from 1 Hz to 1 MHz in the 333 423 K temperature range. At a given temperature and frequency, we observe that the resistivity increases while the conductivity accordingly decreases when neodymium ions are added to the glass matrix. The activation energy of two distinct regions was evaluated from the ln( dc)=f(1/T) plot and was found to be E1(T<363K)=0.61(0.66)eV and E2(T>363K)=1.26(1.09)eV for SiLi-0Nd (SiLi-1,35Nd). The dielectric constant ( Re) decreases while the dielectric loss (tan ( )) increases under Nd2O3 doping. We also observe that for both glasses, Re and tan ( ) tend to increase with increasing temperature and decrease with increasing frequency.

  10. Synthesis and characterization of magnetic diphase ZnFe2O4 /γ-Fe2O3 electrospun fibers

    PubMed Central

    Arias, M.; Pantojas, V.M.; Perales, O.; Otaño, W.

    2011-01-01

    Magnetic nanofibers of ZnFe2O4 / γ-Fe2O3 composite were synthesized by electrospinning from a sol-gel solution containing a molar ratio Fe/Zn of 3. The effects of the calcination temperature on the phase composition, particle size and magnetic properties have been investigated. Zinc ferrite fibers were obtained by calcinating the electrospun fibers in air from 300 °C to 800 °C and characterized by thermogravimetric analyses, Fourier transformed infrared spectroscopy, x-ray photoemission spectroscopy, x-ray diffraction, vibration sample magnetometry and magnetic force microscopy. The resulting fibers, with diameters ranging from 90 to 150 nm, were ferrimagnetic with high saturation magnetization as compared to bulk. Increasing the calcination temperature resulted in an increase in particle size and saturation magnetization. The observed increase in saturation magnetization was most likely due to the formation and growth of ZnFe2O4 /γ-Fe2O3 diphase crystals. The highest saturation magnetization (45 emu/g) was obtained for fibers calcined at 800 °C. PMID:21779141

  11. Intercomparison of six ambient [CH2O] measurement techniques

    NASA Astrophysics Data System (ADS)

    Gilpin, Tim; Apel, Eric; Fried, Alan; Wert, Bryan; Calvert, Jack; Genfa, Zhang; Dasgupta, Purnendu; Harder, Jerry W.; Heikes, Brian; Hopkins, Brian; Westberg, Hal; Kleindienst, Tad; Lee, Yin-Nan; Zhou, Xianliang; Lonneman, William; Sewell, Scott

    1997-09-01

    From May 29 to June 3, 1995 a blind intercomparison of six ambient formaldehyde measurement techniques took place at a field site near the National Center for Atmospheric Research in Boulder, Colorado. The continuous measurement methods intercompared were tunable diode laser absorption spectroscopy, (TDLAS); coil/2,4-dinitrophenylhydrazine, (CDNPH); 1,3-cyclohexanedione-diffusion scrubber (CHDDS); and the coil enzyme method (CENZ). In addition, two different cartridge methods were compared: silica gel-2,4-dinitrophenylhydrazine (DPNH) systems and a C-18-DNPH system. The intercomparison was conducted with spiked zero air (part 1) and ambient air (part 2). The CH2O standards for part 1 were calibrated by several independent methods and delivered to participants via a common glass manifold with potential trace gas interférants common to ambient air (O3, SO2, NO2, isoprene, H2O). The TDLAS system was used to confirm the absolute accuracy of the standards and served as a mission reference for part 1. The ambient phase lasted 44 hours with all participants sampling from a common glass tower. Differences between the ambient [CH2O] observed by the TDLAS and the other continuous methods were significant in some cases. For matched ambient measurement times the average ratios (±1σ) [CH2O]measured/[CH2O]TDLAS were: 0.89±0.12 (CDNPH); 1.30±0.02 (CHDDS); 0.63±0.03 (CENZ). The methods showed similar variations but different absolute values and the divergences appeared to result largely from calibration differences (no gas phase standards were used by groups other than NCAR). When the regressions of the participant [CH2O] values versus the TDLAS values, (measured in part 1), were used to normalize all of the results to the common gas phase standards of the NCAR group, the average ratios (±1σ), [CH2O]corrected/[CH2O]TDLAS for the first measurement period were much closer to unity: 1.04±0.14 (CDNPH), 1.00±0.11 (CHDDS), and 0.82±0.08 (CENZ). With the continuous methods

  12. Silicate-H2O Systems at High Pressure Conditions

    NASA Astrophysics Data System (ADS)

    Tailby, N.; Mavrogenes, J. A.; Hermann, J.; O'Neill, H. S.

    2008-12-01

    Since the discovery of the second critical endpoint (CP2) in the albite-water system, numerous attempts have been made to determine the pressure and temperature of this CP2 and the mutual solubilities within more complex systems. The P-T position of the CP2 has been estimated for many systems: SiO2 (<10 kb/900 °C, Newton and Manning, 2008); NaAlSi3O8 (15 kb/800 °C, Burnham and Davis, 1974; Shen and Keppler, 1997); Pelite (50 kb/1,000 °C, Schmidt et al., 2004), basalt (50 kb/ 1000 °C, Kessel et al., 2004), Peridotite (38 kb/1000 °C, Mibe et al., 2007). A number of experimental techniques have been used to determine phase relations and H2O solubility in experiments. These include in-situ experimental techniques (e.g., HYDAC; Shen and Keppler, 1997), fluid trap techniques (e.g., diamond traps; Stalder et al., 2000), and single crystal weight-loss techniques (e.g., SiO2-H2O techniques employed by Newton and Manning, 2008). None of these techniques is without difficulties, as H2O rich experiments need to overcome huge retrograde fluid solubilities upon quench in order to determine mutual solubilities at experimental conditions. We have developed a new technique to determine "rock"-H2O relationships at high-P conditions, with particular focus on the shape and locus of solvi in pressure temperature space. In this series of experiments, an oxygen fugacity buffer (Re-ReO2) and a sliding H-fugacity sensor (NiO-Ni-Pd mixture) are combined to monitor H2O activity over the entire range of pressure and temperature. Unlike other techniques, the use of sensor capsules does not require textural interpretation of experiments. H2O activity is related to oxygen and hydrogen fugacity by the reaction: H2O = H2 + ½O2 NiO-Ni-Pd mixtures were placed within a ZrO2 jacket and sealed within a welded 2.3 mm Pt capsule. This 2.3 mm Pt sensor capsule was then encased within a larger, thick walled 6 mm diameter Ag capsule. Pelite-H2O mixtures and oxygen buffers were held within this larger

  13. Enhanced Conductivity at the Interface of Li{sub 2}O ratio B{sub 2}O{sub 3} Nanocomposites: Atomistic Models

    SciTech Connect

    Islam, Mazharul M.; Bredow, Thomas; Indris, Sylvio; Heitjans, Paul

    2007-10-05

    A theoretical investigation at density-functional level of Li ion conduction at the interfaces in Li{sub 2}O ratio B{sub 2}O{sub 3} nanocomposites is presented. The structural disorder at the Li{sub 2}O(111) ratio B{sub 2}O{sub 3}(001) interface leads to reduced defect formation energies for Li vacancies and Frenkel defects compared to Li{sub 2}O surfaces. The average activation energy for Li{sup +} diffusion in the interface region is in the range of the values for Li{sub 2}O. It is therefore concluded that the enhanced Li conductivity of Li{sub 2}O ratio B{sub 2}O{sub 3} nanocomposites is mainly due to the increased defect concentration.

  14. Enhancement of Red Persistent Luminescence in Cr3+-Doped ZnGa2O4 Phosphors by Bi2O3 Codoping

    NASA Astrophysics Data System (ADS)

    Zhuang, Yixi; Ueda, Jumpei; Tanabe, Setsuhisa

    2013-05-01

    Bi2O3 was proved to be an effective codopant to enhance red persistent luminescence in Cr3+-doped ZnGa2O4 spinel. The Cr-Bi-codoped ZnGa2O4 phosphors showed about 10 times higher persistent luminescence intensity than the Cr-singly-doped phosphors. The radiance (in mW sr-1m-2) of persistent luminescence in ZnGa2O4:Cr,Bi phosphors was comparable to that in commercialized SrAl2O4:Eu,Dy phosphors. Increases of Cr3+ absorption and photoluminescence were also observed in the Cr-Br-codoped ZnGa2O4 sample. The obtained results suggest that Bi2O3 may play a critical role in stabilizing Cr3+ in ZnGa2O4 spinel.

  15. LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

    NASA Astrophysics Data System (ADS)

    Nefedov, R. A.; Ferapontov, Yu A.; Kozlova, N. P.

    2016-01-01

    Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H2O2 - H2O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li2O2·H2O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li2O2·H2O content on hydrogen peroxide decay contained in liquid phase of LiOH - H2O2 - H2O trinary system under conditions of experiments conducted has been shown.

  16. Growth of corundum-structured In2O3 thin films on sapphire substrates with Fe2O3 buffer layers

    NASA Astrophysics Data System (ADS)

    Suzuki, Norihiro; Kaneko, Kentaro; Fujita, Shizuo

    2013-02-01

    We report the fabrication of rhombohedral corundum-structured indium oxide (α-In2O3) thin films, which can complete a semiconductor quaternary alloy system with α-Al2O3 and α-Ga2O3, on sapphire substrates with α-Fe2O3 buffer layers. X-ray diffraction showed the formation of α-In2O3, and the α-In2O3 film exhibited n-type semiconductor properties with electron concentration of 1.2×1018 cm-3 and electron mobility of 83 cm2/Vs. The α-In2O3 took grain structure with the lateral sizes of 300-600 nm, and in a grain area α-In2O3 grew epitaxially on a sapphire substrate.

  17. High-Efficiency Cu2O-Based Heterojunction Solar Cells Fabricated Using a Ga2O3 Thin Film as N-Type Layer

    NASA Astrophysics Data System (ADS)

    Minami, Tadatsugu; Nishi, Yuki; Miyata, Toshihiro

    2013-04-01

    High-efficiency heterojunction solar cells consisting of a nondoped Ga2O3 thin film as an n-type semiconductor layer and a p-type Cu2O sheet as the active layer as well as the substrate, prepared by thermally oxidizing a Cu sheet, are demonstrated. The use of an n-type Ga2O3 thin film can greatly improve the performance of n-Ga2O3/p-Cu2O heterojunction solar cells. The highest efficiency of 5.38% was obtained in an Al-doped ZnO/Ga2O3/Cu2O heterojunction solar cell fabricated with an n-Ga2O3 thin-film layer prepared at room temperature with a thickness of 75 nm by a pulsed laser deposition method.

  18. Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon.

    PubMed

    Soulard, P; Tremblay, B

    2015-12-14

    The van der Waals complex of H2O with CO2 has attracted considerable theoretical interest as a typical example of a weak binding complex with a dissociation energy less than 3 kcal/mol. Up to now, experimental vibrational data are sparse. We have studied by FTIR the complexes involving CO2 and water molecules in solid neon. Many new absorption bands close to the well known monomers fundamentals give evidence for at least three (CO2)n-(H2O)m complexes, noted n:m. Concentration effects combined with a detailed vibrational analysis allow for the identification of sixteen, twelve, and five transitions for the 1:1, 1:2, and 2:1 complexes, respectively. Careful examination of the far infrared spectral region allows the assignment of several 1:1 and 1:2 intermolecular modes, confirmed by the observation of combinations of intra + intermolecular transitions, and anharmonic coupling constants have been derived. Our results demonstrate the high sensibility of the solid neon isolation to investigate the hydrogen-bonded complexes in contrast with the gas phase experiments for which two quanta transitions cannot be easily observed. PMID:26671379

  19. Effect of nitridation on the aqueous dissolution of Na2O-K2O-CaO-P2O5 metaphosphate glasses.

    PubMed

    Riguidel, Quentin; Muñoz, Francisco

    2011-06-01

    The use of oxynitride glasses is presented as an alternative for the preparation of bioresorbable phosphate glasses with a controlled dissolution rate. This work describes the design of oxynitride phosphate glasses within the systems of composition (50-x)Na(2)O·xCaO·50P(2)O(5) and (25-(x/2))Na(2)O·(25-(x/2))K(2)O·xCaO·50P(2)O(5) (x=5, 10, 15, 20 mol.%) throughout the processing parameters of the ammonolysis reaction and the glass composition. Mixed-alkali sodium-potassium phosphate glasses with low CaO contents present the best characteristics for nitridation. The dissolution rate has been determined by immersion of glass samples in water, at constant temperature of 37 °C, and has been discussed as a function of both modifiers composition and nitrogen content incorporated in the glasses through ammonolysis. All oxynitride glass compositions dissolve congruently and their dissolution rate decreases by more than three orders of magnitude for the highest nitrogen contents. However, it has been demonstrated that nitrogen contents as low as 2-3 wt.% (i.e. a 0.2N/P ratio) are sufficient to decrease the dissolution rate by one order of magnitude with respect to the pure oxide glasses. Novel oxynitride phosphate glasses with a controlled and congruent dissolution are proposed for future applications in biodegradable composite materials, tissue engineering or host matrices for the controlled release of drugs. PMID:21440095

  20. Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon

    NASA Astrophysics Data System (ADS)

    Soulard, P.; Tremblay, B.

    2015-12-01

    The van der Waals complex of H2O with CO2 has attracted considerable theoretical interest as a typical example of a weak binding complex with a dissociation energy less than 3 kcal/mol. Up to now, experimental vibrational data are sparse. We have studied by FTIR the complexes involving CO2 and water molecules in solid neon. Many new absorption bands close to the well known monomers fundamentals give evidence for at least three (CO2)n-(H2O)m complexes, noted n:m. Concentration effects combined with a detailed vibrational analysis allow for the identification of sixteen, twelve, and five transitions for the 1:1, 1:2, and 2:1 complexes, respectively. Careful examination of the far infrared spectral region allows the assignment of several 1:1 and 1:2 intermolecular modes, confirmed by the observation of combinations of intra + intermolecular transitions, and anharmonic coupling constants have been derived. Our results demonstrate the high sensibility of the solid neon isolation to investigate the hydrogen-bonded complexes in contrast with the gas phase experiments for which two quanta transitions cannot be easily observed.

  1. Structural investigation of BaOsbnd B2O3sbnd P2O5 glasses by NMR and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Koudelka, Ladislav; Kalenda, Petr; Mošner, Petr; Černošek, Zdeněk; Montagne, Lionel; Revel, Bertrand

    2016-09-01

    Glasses of the ternary system BaOsbnd B2O3sbnd P2O5 were prepared and studied in broad concentration limits covering the whole vitrification domain: 20-50 mol% BaO, 0-40 mol% B2O3 and 20-60 mol% P2O5. Their structure was studied with combinations of Raman spectroscopy, 31P MAS NMR spectroscopy and 11B MAS NMR spectroscopy. The obtained results are discussed in several compositional lines A: (100-x)Ba(PO3)2sbnd xB2O3, B: 40BaOsbnd yB2O3sbnd (60-y)P2O5, C: (50-z)BaOsbnd zB2O3sbnd 50P2O5, D: (60-w)BaOsbnd wB2O3sbnd 40P2O5 and E: uBaOsbnd 40B2O3sbnd (60-u)P2O5. Boron oxide incorporates into the phosphate network in the form of BO4 and BO3 groups and increases their glass transition temperature. Nevertheless, the increase in Tg is only steep within the region of 0-20 mol% B2O3 reaching a maximum at the glasses with ∼30 mol% B2O3. In the lines A, B and E a decrease in the P2O5 and an increase of B2O3 content results in the shortening of phosphate chains with decreasing P2O5 content; these changes are most pronounced in line B with a constant BaO content. In lines C and D with a constant P2O5 content a decrease in the BaO content results, in contrast, in the reverse transformation of phosphate structural units in the direction Q1 → Q2 → Q3 as detected from Raman spectra and 31P MAS NMR spectra. 11B MAS NMR spectra revealed that only BO4 units are present in the glasses with 0-20 mol% B2O3. In the glasses of the E series the fraction of BO3 units increases with a decreasing P2O5 content. By the decomposition of the 11B MAS NMR spectra it is possible to estimate the fractions of basic structural units formed by boron - B(OP)3O, B(OP)2O2 and BO3 in all the glasses of the glass forming region.

  2. Structural properties of Y2O3–Al2O3 liquids and glasses: An overview

    SciTech Connect

    Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.; Benmore, Chris J.; Weber, J. K.R.; Deschamps, Thierry; Champagnon, Bernard

    2015-01-01

    Liquids in the system Y2O3- Al2O3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining the structure of unequivocally amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y2O3 - Al2O3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y2O3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.

  3. CaO--P2O5--Na2O-based sintering additives for hydroxyapatite (HAp) ceramics.

    PubMed

    Kalita, S J; Bose, S; Hosick, H L; Bandyopadhyay, A

    2004-05-01

    We have assessed the effect of CaO--P2O5--Na2O-based sintering additives on mechanical and biological properties of hydroxyapatite (HAp) ceramics. Five different compositions of sintering additives were selected and prepared by mixing of CaO, P2O5, and Na2CO3 powders. 2.5 wt% of each additive was combined with commercial HAp powder, separately, followed by ball milling, and sintering at 1250 degrees C and 1300 degrees C in a muffle furnace. Green and sintered densities of the compacts were analyzed for the influence of additives on densification of HAp. Phase analyses were carried out using an X-ray diffractometer. Vickers microhardness testing was used to evaluate hardness of sintered compacts of different compositions. A maximum microhardness of 4.6 (+/- 0.28) GPa was attained for a composition with 2.5 wt% addition of CaO:P2O5:Na2O in the ratio of 3:3:4. Results from mechanical property evaluation showed that some of these sintering additives improved failure strength of HAp under compressive loading. Maximum compressive strength was observed for samples with 2.5 wt% addition of CaO. Average failure strength for this set of samples was calculated to be 220 (+/- 50) MPa. Cytotoxicity, and cell attachment studies were carried out using a modified human osteoblast cell line called OPC-1. In vitro results showed that these compositions were non-toxic. Some sintering aids enhanced cell attachment and proliferation, which was revealed from SEM examination of the scaffolds seeded with OPC-1 cells. PMID:14741598

  4. Global and regional emissions estimates for N2O

    NASA Astrophysics Data System (ADS)

    Saikawa, E.; Prinn, R. G.; Dlugokencky, E. J.; Ishijima, K.; Dutton, G. S.; Hall, B. D.; Langenfelds, R.; Tohjima, Y.; Machida, T.; Manizza, M.; Rigby, M. L.; Odoherty, S. J.; Patra, P. K.; Harth, C.; Weiss, R. F.; Krummel, P. B.; van der Schoot, M.; Fraser, P.; Steele, P.; Aoki, S.; Nakazawa, T.; Elkins, J. W.

    2013-12-01

    We present a comprehensive estimate of nitrous oxide (N2O) emissions using observations and models from 1995 to 2008. High-frequency records of tropospheric N2O are available from measurements at Cape Grim, Tasmania; Cape Matatula, American Samoa; Ragged Point, Barbados; Mace Head, Ireland; and at Trinidad Head, California using the Advanced Global Atmospheric Gases Experiment (AGAGE) instrumentation and calibrations. The Global Monitoring Division of the National Oceanic and Atmospheric Administration/Earth System Research Laboratory (NOAA/ESRL) has also discrete air samples collected in flasks and in situ measurements from remote sites across the globe and analyzed them for a suite of species including N2O. In addition to these major networks, we include in situ and aircraft measurements from the National Institute for Environmental Studies (NIES) and flask measurements from the Tohoku University and Commonwealth Scientific and Industrial Research Organization (CSIRO) networks. All measurements show increasing atmospheric mole fractions of N2O, with a varying growth rate of 0.1-0.7%yr-1, resulting in a 7.4% increase in the background atmospheric mole fraction between 1979 and 2011. Using existing emission inventories as well as bottom-up process modeling results, we first create globally-gridded a priori N2O emissions over the 37 yr since 1975. We then use the three-dimensional chemical transport model, Model for Ozone and Related Chemical Tracers version 4 (MOZART v4), and a Bayesian inverse method to estimate global as well as regional annual emissions for five source sectors from 13 regions in the world. This is the first time that all of these measurements from multiple networks have been combined to determine emissions. Our inversion indicates that global and regional N2O emissions have an increasing trend between 1995 and 2008. Despite large uncertainties, a significant increase is seen from the Asian agricultural sector in the recent years, most likely due

  5. Global and regional emissions estimates for N2O

    NASA Astrophysics Data System (ADS)

    Saikawa, E.; Prinn, R. G.; Dlugokencky, E.; Ishijima, K.; Dutton, G. S.; Hall, B. D.; Langenfelds, R.; Tohjima, Y.; Machida, T.; Manizza, M.; Rigby, M.; O'Doherty, S.; Patra, P. K.; Harth, C. M.; Weiss, R. F.; Krummel, P. B.; van der Schoot, M.; Fraser, P. B.; Steele, L. P.; Aoki, S.; Nakazawa, T.; Elkins, J. W.

    2013-07-01

    We present a comprehensive estimate of nitrous oxide ( N2O) emissions using observations and models from 1995 to 2008. High-frequency records of tropospheric N2O are available from measurements at Cape Grim, Tasmania; Cape Matatula, American Samoa; Ragged Point, Barbados; Mace Head, Ireland; and at Trinidad Head, California using the Advanced Global Atmospheric Gases Experiment (AGAGE) instrumentation and calibrations. The Global Monitoring Division of the National Oceanic and Atmospheric Administration/Earth System Research Laboratory (NOAA/ESRL) has also discrete air samples collected in flasks and in situ measurements from remote sites across the globe and analyzed them for a suite of species including N2O. In addition to these major networks, we include in situ and aircraft measurements from the National Institute for Environmental Studies (NIES) and flask measurements from the Tohoku University and Commonwealth Scientific and Industrial Research Organization (CSIRO) networks. All measurements show increasing atmospheric mole fractions of N2O, with a varying growth rate of 0.1-0.7 % yr-1, resulting in a 7.4% increase in the background atmospheric mole fraction between 1979 and 2011. Using existing emission inventories as well as bottom-up process modeling results, we first create globally-gridded a priori N2O emissions over the 37 yr since 1975. We then use the three-dimensional chemical transport model, Model for Ozone and Related Chemical Tracers version 4 (MOZART v4), and a Bayesian inverse method to estimate global as well as regional annual emissions for five source sectors from 13 regions in the world. This is the first time that all of these measurements from multiple networks have been combined to determine emissions. Our inversion indicates that global and regional N2O emissions have an increasing trend between 1995 and 2008. Despite large uncertainties, a significant increase is seen from the Asian agricultural sector in the recent years, most likely

  6. Crystalline and amorphous H2O on Charon

    NASA Astrophysics Data System (ADS)

    Dalle Ore, Cristina M.; Cruikshank, Dale P.; Grundy, Will M.; Ennico, Kimberly; Olkin, Catherine B.; Stern, S. Alan; Young, Leslie A.; Weaver, Harold A.

    2015-11-01

    Charon, the largest satellite of Pluto, is a gray-colored icy world covered mostly in H2O ice, with spectral evidence for NH3, as previously reported (Cook et al. 2007, Astrophys. J. 663, 1406-1419 Merlin, et al. 2010, Icarus, 210, 930; Cook, et al. 2014, AAS/Division for Planetary Sciences Meeting Abstracts, 46, #401.04). Images from the New Horizons spacecraft reveal a surface with terrains of widely different ages and a moderate degree of localized coloration. The presence of H2O ice in its crystalline form (Brown & Calvin 2000 Science 287, 107-109; Buie & Grundy 2000 Icarus 148, 324-339; Merlin et al, 2010) along with NH3 is consistent with a fresh surface.The phase of H2O ice is a key tracer of variations in temperature and physical conditions on the surface of outer Solar System objects. At Charon’s surface temperature H2O is expected to be amorphous, but ground-based observations (e.g., Merlin et al. 2010) show a clearly crystalline signature. From laboratory experiments it is known that amorphous H2O ice becomes crystalline at temperatures of ~130 K. Other mechanisms that can change the phase of the ice from amorphous to crystalline include micro-meteoritic bombardment (Porter et al. 2010, Icarus, 208, 492) or resurfacing processes such as cryovolcanism.New Horizons observed Charon with the LEISA imaging spectrometer, part of the Ralph instrument (Reuter, D.C., Stern, S.A., Scherrer, J., et al. 2008, Space Science Reviews, 140, 129). Making use of high spatial resolution (better than 10 km/px) and spectral resolving power of 240 in the wavelength range 1.25-2.5 µm, and 560 in the range 2.1-2.25 µm, we report on an analysis of the phase of H2O ice on parts of Charon’s surface with a view to investigate the recent history and evolution of this small but intriguing object.This work was supported by NASA’s New Horizons project.

  7. Global and regional emissions estimates for N2O

    NASA Astrophysics Data System (ADS)

    Saikawa, E.; Prinn, R. G.; Dlugokencky, E.; Ishijima, K.; Dutton, G. S.; Hall, B. D.; Langenfelds, R.; Tohjima, Y.; Machida, T.; Manizza, M.; Rigby, M.; O'Doherty, S.; Patra, P. K.; Harth, C. M.; Weiss, R. F.; Krummel, P. B.; van der Schoot, M.; Fraser, P. J.; Steele, L. P.; Aoki, S.; Nakazawa, T.; Elkins, J. W.

    2014-05-01

    We present a comprehensive estimate of nitrous oxide (N2O) emissions using observations and models from 1995 to 2008. High-frequency records of tropospheric N2O are available from measurements at Cape Grim, Tasmania; Cape Matatula, American Samoa; Ragged Point, Barbados; Mace Head, Ireland; and at Trinidad Head, California using the Advanced Global Atmospheric Gases Experiment (AGAGE) instrumentation and calibrations. The Global Monitoring Division of the National Oceanic and Atmospheric Administration/Earth System Research Laboratory (NOAA/ESRL) has also collected discrete air samples in flasks and in situ measurements from remote sites across the globe and analyzed them for a suite of species including N2O. In addition to these major networks, we include in situ and aircraft measurements from the National Institute of Environmental Studies (NIES) and flask measurements from the Tohoku University and Commonwealth Scientific and Industrial Research Organization (CSIRO) networks. All measurements show increasing atmospheric mole fractions of N2O, with a varying growth rate of 0.1-0.7% per year, resulting in a 7.4% increase in the background atmospheric mole fraction between 1979 and 2011. Using existing emission inventories as well as bottom-up process modeling results, we first create globally gridded a priori N2O emissions over the 37 years since 1975. We then use the three-dimensional chemical transport model, Model for Ozone and Related Chemical Tracers version 4 (MOZART v4), and a Bayesian inverse method to estimate global as well as regional annual emissions for five source sectors from 13 regions in the world. This is the first time that all of these measurements from multiple networks have been combined to determine emissions. Our inversion indicates that global and regional N2O emissions have an increasing trend between 1995 and 2008. Despite large uncertainties, a significant increase is seen from the Asian agricultural sector in recent years, most likely

  8. New observations of stratospheric N2O5

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Toon, G. C.; Farmer, C. B.; Norton, R. H.; Namkung, J. S.

    1989-01-01

    The unequivocal detection of N2O5 in the stratosphere was reported by Toon et al. based on measurements of the absorption by the N2O5 bands at 1246 and 1720/cm in solar occulation spectra recorded at sunrise near 47 S latitude by the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment during the Spacelab 3 (SL3) shuttle mission. Additional measurements and analysis of stratospheric N2O5 derived from the ATMOS/SL3 spectra are reported. The primary results are the detection and measurement of N2O5 absorption at sunset in the lower stratosphere, the inversion of a precise (approximately 10 percent) N2O5 sunrise vertical distribution between 25.5 and 37.5 km altitude, and the identification and measurement of absorption by the N2O5 743/cm band at sunrise. Assuming 4.32 x 10(sup -17) and 4.36 x 10(sup -17)/cm/molecule/sq cm respectively for the integrated intensities of the 1246 and 743/cm bands at stratospheric temperatures, retrieved volume mixing ratios in parts per billion by volume (ppbv) at sunrise (47 S latitude) are 1.32 + or - 0.34 at 37.5 km, 1.53 + or - 0.35 at 35.5 km, 1.63 + or - 0.36 at 33.5 km, 1.60 + or - 0.34 at 31.5 km, 1.43 + or - 0.30 at 29.5 km, 1.15 + or - 0.24 at 27.5 km, and 0.73 + or - 0.15 at 25.5 km. Retrieved VMRs in ppbv at sunset (30 N latitude) are 0.13 + or - 0.05 at 29.5 km, 0.14 + or - 0.05 at 27.5 km, and 0.10 + or - 0.04 at 25.5 km. Quoted error limits (1 sigma) include the error in the assumed band intensities (approximately 20 percent). Within the error limits of the measurements, the inferred mixing ratios at sunrise agree with diurnal photochemical model predictions obtained by two groups using current photochemical data. The measured mixing ratios at sunset are lower than the model predictions with differences of about a factor of 2 at 25 km altitude.

  9. Highly-oriented Fe2O3/ZnFe2O4 nanocolumnar heterojunction with improved charge separation for photoelectrochemical water oxidation.

    PubMed

    Luo, Zhibin; Li, Chengcheng; Zhang, Dong; Wang, Tuo; Gong, Jinlong

    2016-07-12

    This paper describes the design and synthesis of a heterojunction photoanode composed of highly-oriented Fe2O3/ZnFe2O4 nanocolumnar arrays with a well-defined morphology by reactive ballistic deposition and atomic layer deposition. This specific structure enhances the charge separation at the Fe2O3/ZnFe2O4 interface, leading to an improved photoelectrochemical performance for water oxidation. PMID:26696447

  10. Three-dimensional Ag{sub 2}O/WO{sub 3}·0.33H{sub 2}O heterostructures for improving photocatalytic activity

    SciTech Connect

    He, Xiaoyu; Hu, Chenguo; Xi, Yi; Zhang, Kaiyou; Hua, Hao

    2014-02-01

    Highlights: • Ag{sub 2}O/WO{sub 3}·0.33H{sub 2}O 3D network heterostructures are prepared via a simple precipitatation method. • Ag{sub 2}O/WO{sub 3}·0.33H{sub 2}O networks exhibit much enhanced photocatalytic activity. • High photocatalytic activity is attributed to its heterostructure and 3D architectures. - Abstract: Three-dimensional Ag{sub 2}O/WO{sub 3}·0.33H{sub 2}O heterostructures were fabricated by loading Ag{sub 2}O nanoparticles on WO{sub 3}·0.33H{sub 2}O 3D networks via a simple chemical precipitation method. The Ag{sub 2}O/WO{sub 3}·0.33H{sub 2}O heterostructures exhibited much enhanced photocatalytic activity for the degradation of methylene blue (MB) under simulated solar light irradiation. The optimal molar ratio of Ag{sub 2}O and WO{sub 3}·0.33H{sub 2}O is 1:2. The outstanding photocatalytic activity of the Ag{sub 2}O/WO{sub 3}·0.33H{sub 2}O can be attributed to its large surface area of the three-dimensional networks, the enhanced sunlight absorption and the prevention of electrons–holes combination from the heterostructures. The experiment result demonstrates that wide band gap semiconductor (WO{sub 3}·0.33H{sub 2}O) modified by narrow band gap metal oxide (Ag{sub 2}O) with 3D architecture will be an effective route to enhance its photocatalytic activity.

  11. Interaction of Nd dopants with broadband emission centers in Bi2O3-B2O3 glass: local energy balance and its influence on optical properties.

    PubMed

    Ishii, Masashi; Fuchi, Shingo; Takeda, Yoshikazu

    2015-10-01

    Chemical and energetic interactions between broadband infrared intrinsic emission centers (IECs) of bismuthates and extrinsic emission centers (EECs) of Nd2O3 dopants were optically and electronically investigated. Although no visible absorption from the IEC was found in untreated Bi2O3-B2O3 glass, it was clearly observed after a moderate thermal treatment of  <200 °C, indicating chemical activity of O-deficient sites as the origin of IECs. On the other hand, Nd2O3 doping chemically stabilized the Bi2O3-B2O3 glass and suppressed IEC formation. By using a microwave measurement sensitive to electric dipoles, we found a 'switching' in local energy balance resulting from the Nd2O3 doping. This was explained by metallization of the O-deficient sites in the Bi2O3-B2O3 glass and multi-phonon excitation of IEC and EEC complexes in the Nd2O3-Bi2O3-B2O3 glass phosphor. Although the electric dipole observed by the microwave measurement was not necessarily caused by IEC, emission properties of the IEC and EEC complexes were consistent with energy balance switching; emissions from IECs after thermal treatment were quenched by EECs with multi-phonon excitation. PMID:26381280

  12. Interaction of Nd dopants with broadband emission centers in Bi2O3-B2O3 glass: local energy balance and its influence on optical properties

    NASA Astrophysics Data System (ADS)

    Ishii, Masashi; Fuchi, Shingo; Takeda, Yoshikazu

    2015-10-01

    Chemical and energetic interactions between broadband infrared intrinsic emission centers (IECs) of bismuthates and extrinsic emission centers (EECs) of Nd2O3 dopants were optically and electronically investigated. Although no visible absorption from the IEC was found in untreated Bi2O3-B2O3 glass, it was clearly observed after a moderate thermal treatment of  <200 °C, indicating chemical activity of O-deficient sites as the origin of IECs. On the other hand, Nd2O3 doping chemically stabilized the Bi2O3-B2O3 glass and suppressed IEC formation. By using a microwave measurement sensitive to electric dipoles, we found a ‘switching’ in local energy balance resulting from the Nd2O3 doping. This was explained by metallization of the O-deficient sites in the Bi2O3-B2O3 glass and multi-phonon excitation of IEC and EEC complexes in the Nd2O3-Bi2O3-B2O3 glass phosphor. Although the electric dipole observed by the microwave measurement was not necessarily caused by IEC, emission properties of the IEC and EEC complexes were consistent with energy balance switching; emissions from IECs after thermal treatment were quenched by EECs with multi-phonon excitation.

  13. The target: H2O on the Moon

    NASA Astrophysics Data System (ADS)

    Green, J.; Wys, J. Negusde; Zuppero, A.

    1992-09-01

    The importance of H2O on the lunar surface has long been identified as a high priority for the existence of a human colony for mining activities and, more recently, for space fuel. Using the Earth as an analog, volcanic activity would suggest the generation of water during lunar history. Evidence of volcanism is found not only in present lunar morphology, but in over 400 locations of lunar transient events cataloged by Middlehurst and Kuiper in the 1960's. These events consisted of sightings since early history of vapor emissions and bright spots or flares. Later infrared scanning by Saari and Shorthill showed 'hot spots', many of which coincided with transient event sites. Many of the locations of Middlehurst and Kuiper were the sites of repeat events, leading to the conclusion that these were possibly volcanic in nature. The detection and use of H2O from the lunar surface is discussed.

  14. Optimal filling fraction of Ta2O5 inverse opals

    NASA Astrophysics Data System (ADS)

    Tubio, C. R.; Guitian, F.; Gil, A.

    2013-12-01

    Tantalum pentoxide (Ta2O5) inverse opals were prepared by combining the self-assembly process and sol-gel chemistry-based opal infiltration. The inverse opal was made by the infiltration of a tantalum(V) ethoxide solution in the interstices of the polystyrene colloidal crystal template, and then removing the original opal template by calcination. The infiltration process as well as the optimal precursor concentration has been investigated in order to obtain Ta2O5 inverse opals with the optimal filling fraction. The effects of processing, template sphere size, morphology, structural properties, filling fraction and composition of the inverse opal are provided by scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy analysis (EDS) and powder X-ray diffraction (XRD). The results correlate the concentration of the precursor with the filling fraction of the template.

  15. Synthesis and Characterization of V2O3 Nanorods

    SciTech Connect

    Santulli, A.; Xu, W; Parise, J; Wu, L; Aronson, M; Zhang, F; Nam, C; Black, C; Tiano, A; Wong, S

    2009-01-01

    In this work, VO2 nanorods have been initially generated as reactive nanoscale precursors to their subsequent conversion to large quantities of highly crystalline V2O3 with no detectable impurities. Structural changes in VO2, associated with the metallic-to-insulating transition from the monoclinic form to the rutile form, have been investigated and confirmed using X-ray diffraction and synchrotron data, showing that the structural transition is reversible and occurs at around 63 C. When this VO2 one-dimensional sample was subsequently heated to 800 C in a reducing atmosphere, it was successfully transformed into V2O3 with effective retention of its nanorod morphology. We have also collected magnetic and transport data on these systems that are comparable to bulk behavior and consistent with trends observed in previous experiments.

  16. Cation self-diffusion in Fe2O3

    NASA Astrophysics Data System (ADS)

    Hoshino, K.; Peterson, N. L.

    Self-diffusion of Fe(59) in single crystals of Fe2O3 parallel to the c-axis has been measured as a function of temperature (1150 to 1340 C) and oxygen partial pressure 0.002 less than or equal to Po2 less than or equal to 1 atm). The oxygen partial pressure dependence of the diffusivity indicates that cation self-diffusion occurs by an interstitial-type mechanism. The simultaneous diffusion of Fe(52) and Fe(59) was measured in Fe2O3 at 1251 C and Po2 = .0191 atm. The small value of the isotope effect (f(DELTA)K = 0.067 + or - 0.016) is consistent with diffusion of Fe ions by an interstitially mechanism.

  17. Antiferromagnetism of UO2⋅2H2O

    USGS Publications Warehouse

    Pankey, T.; Senftle, F.E.; Cuttitta, F.

    1963-01-01

    Magnetic susceptibility measurements have been made on UO2⋅xH2O for x=1.78 to x=2.13, and from 77° to 375°K. As the value of x decreased the susceptibility increased. Both these data and structural arguments imply that the formula of this compound is U(OH)4 rather than the dihydrate form. Based on this concept the data have been corrected for diamagnetism and also small amounts of UO2 and H2O which were present. The molar susceptibility of U4+ in U(OH)4 is nearly an order of magnitude less than in other uranium compounds, and it is suggested that this is probably due to superexchange between adjacent uranium atoms through intervening oxygen atoms.

  18. Poly[di-μ-aqua-di-aqua-bis-(μ7-oxalato-κ(9) O (1):O (1):O (1),O (2):O (2):O (2'):O (2'),O (1'):O (1'))calciumdicaesium].

    PubMed

    Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude

    2013-01-01

    In the title compound, [CaCs2(C2O4)2(H2O)4] n , the Ca(2+) ion, lying on a twofold rotation axis, is coordinated by four O atoms from two oxalate ligands and two bridging water mol-ecules in an octa-hedral geometry. The Cs(+) ion is coordinated by seven O atoms from six oxalate ligands, one bridging water and one terminal water mol-ecule. The oxalate ligand displays a scarce high denticity. The structure contains parallel chain units runnig along [10-1], formed by two edge-sharing Cs polyhedra connected by CsO9 polyhedra connected by a face-sharing CaO6 octahedron. These chains are further linked by the oxalate ligands to build up a three-dimensional framework. O-H⋯O hydrogen bonds involving the water mol-ecules and the carboxyl-ate O atoms enhance the extended structure. PMID:24426991

  19. Structure of Gd2O3 nanoparticles at high temperature

    NASA Astrophysics Data System (ADS)

    Jamnezhad, H.; Jafari, M.

    2016-06-01

    The present study aimed to investigate the structure of Gd2O3 nanoparticles by X-ray diffraction between 25 °C and 1000 °C and compare it with the bulk sample. For the nanoparticles at room temperature, the structure was monoclinic; with an increase in temperature, mixed phases containing the monoclinic and cubic phases were observe between 500 °C and 1000 °C, whereas the bulk sample was transformed from cubic (at room temperature) into hexagonal structures at high pressure. The trends observed for nanoparticles and bulk materials may be different. The scanning electron microscope (SEM) analyses confirmed the existence of Gd2O3 nanoparticles. Moreover, since this material has the magnetic properties, especially during the phase transition, so it was one of the point of our attention in this paper.

  20. The Target: H2O on the Moon

    NASA Technical Reports Server (NTRS)

    Green, J.; Wys, J. Negusde; Zuppero, A.

    1992-01-01

    The importance of H2O on the lunar surface has long been identified as a high priority for the existence of a human colony for mining activities and, more recently, for space fuel. Using the Earth as an analog, volcanic activity would suggest the generation of water during lunar history. Evidence of volcanism is found not only in present lunar morphology, but in over 400 locations of lunar transient events cataloged by Middlehurst and Kuiper in the 1960's. These events consisted of sightings since early history of vapor emissions and bright spots or flares. Later infrared scanning by Saari and Shorthill showed 'hot spots', many of which coincided with transient event sites. Many of the locations of Middlehurst and Kuiper were the sites of repeat events, leading to the conclusion that these were possibly volcanic in nature. The detection and use of H2O from the lunar surface is discussed.

  1. Visible Light Assisted Photocatalytic Hydrogen Generation by Ta2O5/Bi2O3, TaON/Bi2O3, and Ta3N5/Bi2O3 Composites

    DOE PAGESBeta

    Adhikari, Shiba; Hood, Zachary D.; More, Karren Leslie; Ivanov, Ilia N.; Zhang, Lifeng; Gross, Michael; Lachgar, Abdou

    2015-06-15

    Composites comprised of two semiconducting materials with suitable band gaps and band positions have been reported to be effective at enhancing photocatalytic activity in the visible light region of the electromagnetic spectrum. Here, we report the synthesis, complete structural and physical characterizations, and photocatalytic performance of a series of semiconducting oxide composites. UV light active tantalum oxide (Ta2O5) and visible light active tantalum oxynitride (TaON) and tantalum nitride (Ta3N5) were synthesized, and their composites with Bi2O3 were prepared in situ using benzyl alcohol as solvent. The composite prepared using equimolar amounts of Bi2O3 and Ta2O5 leads to the formation ofmore » the ternary oxide, bismuth tantalate (BiTaO4) upon calcination at 1000 °C. The composites and single phase bismuth tantalate formed were characterized by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), Brunauer–Emmett–Teller (BET) surface area measurement, scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV–Vis diffuse reflectance spectroscopy, and photoluminescence. The photocatalytic activities of the catalysts were evaluated for generation of hydrogen using aqueous methanol solution under visible light irradiation (λ ≥ 420 nm). The results show that as-prepared composite photocatalysts extend the light absorption range and restrict photogenerated charge-carrier recombination, resulting in enhanced photocatalytic activity compared to individual phases. The mechanism for the enhanced photocatalytic activity for the heterostructured composites is elucidated based on observed activity, band positions calculations, and photoluminescence data.« less

  2. Dissociation dynamics of core excited N[sub 2]O

    SciTech Connect

    LeBrun, T. DRECAM, SPAM, CEA, CEN Saclay, 9119, Gif sur Yvette Cedex Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 ); Lavollee, M. ); Simon, M.; Morin, P. DRECAM, SPAM, CEA, CEN Saclay, 9119, Gif sur Yvette Cedex )

    1993-02-15

    Fragmentation of N[sub 2]O after selective core excitation of terminal and central nitrogen, has been studied by a multicoincidence technique (PEPIPICO) using synchrotron radiation. We show that dissociation dynamics is dependent upon the excited site, especially in the case of the atomization'' of the molecule. The central nitrogen is always found with very little kinetic energy, except after Nt[r arrow][Pi]* transition. A bent intermediate geometry is proposed to explain this observation.

  3. Mixed alkali effect in Li{sub 2}O-Na{sub 2}O-B{sub 2}O{sub 3} glasses containing Fe{sub 2}O{sub 3}-An EPR and optical absorption study

    SciTech Connect

    Sreekanth Chakradhar, R.P. . E-mail: chakra@cgcri.res.in; Yasoda, B.; Rao, J. Lakshmana . E-mail: jlrao46@yahoo.co.in; Gopal, N.O.

    2006-09-14

    This paper reports the interesting results on mixed alkali effect (MAE) in xLi{sub 2}O-(30-x)Na{sub 2}O-69.5B{sub 2}O{sub 3} (5 {<=} x {<=} 28) glasses containing Fe{sub 2}O{sub 3} studied by electron paramagnetic resonance (EPR) and optical absorption techniques. The EPR spectra in these glasses exhibit three resonance signals at g = 7.60, 4.20 and 2.02. The resonance signal at g = 7.60 has been attributed to Fe{sup 3+} ions in axial symmetry sites whereas the resonance signal at g = 4.20 is due to isolated Fe{sup 3+} ions in rhombic symmetry site. The resonance signal at g = 2.02 is due to Fe{sup 3+} ions coupled by exchange interaction. It is interesting to observe that the number of spins participating in resonance (N) and its paramagnetic susceptibility ({chi}) exhibits the mixed alkali effect with composition. The present study also gives an indication that the size of alkali ions we choose in mixed alkali glasses is also an important contributing factor in showing the mixed alkali effect. It is observed that the variation of N with temperature obeys Boltzmann law. A linear relationship is observed between 1/{chi} and T in accordance with Curie-Weiss law. The paramagnetic Curie temperature ({theta} {sub p}) is negative for the investigated sample, which suggests that the iron ions are antiferromagnetically coupled by negative super exchange interactions at very low temperatures. The optical absorption spectra exhibit only one weak band corresponding to the transition {sup 6}A{sub 1g}(S) {sup {yields}} {sup 4}A{sub 1g}(G); {sup 4}E{sub g}(G) at 446 nm which is a characteristic of Fe{sup 3+} ions in octahedral symmetry.

  4. Detection Of OH+ And H2O+ Towards Orion KL

    NASA Astrophysics Data System (ADS)

    Gupta, Harshal; Rimmer, P.; Pearson, J. C.; Herbst, E.; Yu, S.; Bergin, E. A.; Key Program, HEXOS

    2011-01-01

    The reactive molecular ions, OH+, H2O+, and H3O+, key probes of the oxygen chemistry of the interstellar gas, have been observed toward Orion KL with the Heterodyne Instrument for Far Infrared on board the Herschel Space Observatory. All three N = 1 - 0 fine-structure transitions of OH+ at 909, 971, and 1033 GHz and both fine-structure components of the doublet ortho-H2O+ 111 - 000 transition at 1115 and 1139 GHz were detected, and an upper limit was obtained for H3O+. OH+ and H2O+ are observed purely in absorption, showing a narrow component at the source velocity of 9 km s-1, and a broad blue shifted absorption similar to that reported recently for HF and para-H218O, and attributed to the low velocity outflow of Orion KL. We estimate column densities of OH+ and H2O+ for the 9 km s-1 component of 9 ± 3 x 1012 cm-2 and 7 ± 2 x 1012 cm-2, and those in the outflow of 1.9 ± 0.7 x 1013 cm-2 and 1.0 ± 0.3 x 1013 cm-2. Upper limits of 2.4 x 1012 cm-2 and 8.7 ± 1012 cm-2 were derived for the column densities of ortho and para-H3O+ from transitions near 985 and 1657 GHz. The column densities of the three ions are up to an order of magnitude lower than those obtained from recent observations of W31C and W49N. A higher gas density, despite the assumption of a large ionization rate, may explain the comparatively low column densities of the ions. A part of this work was performed at the Jet Propulsion Laboratory, California Institute of Technology under contract with the National Aeronautics and Space Administration. Copyright 2010© California Institute of Technology. All rights reserved.

  5. High-field magnetization of Dy2O3

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1974-01-01

    The magnetization of powdered samples of Dy2O3 has been measured at temperatures between 1.45 deg and 4.2 K, in applied magnetic fields ranging to 7 Teslas. A linear dependence of magnetization on applied field is observable in high field region, the slope of which is independent of temperature over the range investigated. The extrapolated saturation magnetic moment is 2.77 + or - 0.08 Bohr magnetons per ion.

  6. High-field magnetization of Dy2O3

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1974-01-01

    The magnetization of powdered samples of Dy2O3 has been measured at temperatures between 1.45 and 4.2 K, in applied magnetic fields ranging to 70 kilogauss. A linear dependence of magnetization on applied field is observable in the high-field region, the slope of which is independent of temperature over the range investigated. The extrapolated saturation magnetic moment is about 2.77 Bohr magnetons per ion.

  7. Near Infrared Spectra of H2O/HCN Mixtures

    NASA Technical Reports Server (NTRS)

    Mastrapa, R. M.; Bernstein, M. P.; Sanford, S. A.

    2006-01-01

    Cassini's VIMS has already returned exciting results interpreting spectra of Saturn's icy satellites. The discovery of unidentified features possibly due to CN compounds inspired the work reported here. We wanted to test HCN as a possibility for explaining these features, and also explore how the features of HCN change when mixed with H2O. We have previously noted that mixing H20 and CO2 produces new spectral features and that those features change with temperature and mixing ratio.

  8. Knowledge of the systems H2O-SO3-N2O3. Report 1: The system H2SO4-H2O-N2O3

    NASA Technical Reports Server (NTRS)

    Stopperka, K.; Kilz, F.

    1977-01-01

    The amount of N2O3 being absorbed in 50-100% H2SO4 at 19, 60, and 95 C is directly proportional to the acid concentration and inversely proportional to the temperature. NO+ formation according to the above-formulated equation occurs only at H2SO4 concentrations greater than 52%. Absorption in highly concentrated sulfuric acid results in the formation of crystalline NOHSO4.

  9. The Effect of H2O on Ice Photochemistry

    NASA Astrophysics Data System (ADS)

    Öberg, Karin I.; van Dishoeck, Ewine F.; Linnartz, Harold; Andersson, Stefan

    2010-08-01

    UV irradiation of simple ices is proposed to efficiently produce complex organic species during star formation and planet formation. Through a series of laboratory experiments, we investigate the effects of the H2O concentration, the dominant ice constituent in space, on the photochemistry of more volatile species, especially CH4, in ice mixtures. In the experiments, thin (~40 ML) ice mixtures, kept at 20-60 K, are irradiated under ultra-high vacuum conditions with a broadband UV hydrogen discharge lamp. Photodestruction cross sections of volatile species (CH4 and NH3) and production efficiencies of new species (C2H6, C2H4, CO, H2CO, CH3OH, CH3CHO, and CH3CH2OH) in water-containing ice mixtures are determined using reflection-absorption infrared spectroscopy during irradiation and during a subsequent slow warm-up. The four major effects of increasing the H2O concentration are: (1) an increase of the destruction efficiency of the volatile mixture constituent by up to an order of magnitude due to a reduction of back reactions following photodissociation, (2) a shift to products rich in oxygen, e.g., CH3OH and H2CO, (3) trapping of up to a factor of 5 more of the formed radicals in the ice, and (4) a disproportional increase in the diffusion barrier for the OH radical compared with the CH3 and HCO radicals. The radical diffusion temperature dependencies are consistent with calculated H2O-radical bond strengths. All the listed effects are potentially important for the production of complex organics in H2O-rich icy grain mantles around protostars and should thus be taken into account when modeling ice chemistry.

  10. Magnetoelectric effect in Cr2O3 thin films

    NASA Astrophysics Data System (ADS)

    He, Xi; Wang, Yi; Sahoo, Sarbeswar; Binek, Christian

    2008-03-01

    Magnetoelectric materials experienced a recent revival as promising components of novel spintronic devices [1, 2, 3]. Since the magnetoelectric (ME) effect is relativistically small in traditional antiferromagnetic compounds like Cr2O3 (max. αzz 4ps/m ) and also cross- coupling between ferroic order parameters is typically small in the modern multiferroics, it is a challenge to electrically induce sufficient magnetization required for the envisioned device applications. A straightforward approach is to increase the electric field at constant voltage by reducing the thickness of the ME material to thin films of a few nm. Since magnetism is known to be affected by geometrical confinement thickness dependence of the ME effect in thin film Cr2O3 is expected. We grow (111) textured Cr2O3 films with various thicknesses below 500 nm and study the ME effect for various ME annealing conditions as a function of temperature with the help of Kerr-magnetometry. [1] P. Borisov et al. Phys. Rev. Lett. 94, 117203 (2005). [2] Ch. Binek, B.Doudin, J. Phys. Condens. Matter 17, L39 (2005). [3] R. Ramesh and Nicola A. Spaldin 2007 Nature Materials 6 21.

  11. Intrinsic electrical properties of LuFe2O4

    NASA Astrophysics Data System (ADS)

    Lafuerza, Sara; García, Joaquín; Subías, Gloria; Blasco, Javier; Conder, Kazimierz; Pomjakushina, Ekaterina

    2013-08-01

    We here revisit the electrical properties of LuFe2O4, compound candidate for exhibiting multiferroicity. Measurements of dc electrical resistivity as a function of temperature, electric-field polarization measurements at low temperatures with and without magnetic field, and complex impedance as a function of both frequency and temperature were carried out in a LuFe2O4 single crystal, perpendicular and parallel to the hexagonal c axis, and in several ceramic polycrystalline samples. Resistivity measurements reveal that this material is a highly anisotropic semiconductor, being about two orders of magnitude more resistive along the c axis. The temperature dependence of the resistivity indicates a change in the conduction mechanism at TCO ≈ 320 K from thermal activation above TCO to variable range hopping below TCO. The resistivity values at room temperature are relatively small and are below 5000 Ω cm for all samples but we carried out polarization measurements at sufficiently low temperatures, showing that electric-field polarization curves are a straight line as expected for a paraelectric or antiferroelectric material. Furthermore, no differences are found in the polarization curves when a magnetic field is applied either parallel or perpendicular to the electric field. The analysis of the complex impedance data corroborates that the claimed colossal dielectric constant is a spurious effect mainly derived from the capacitance of the electrical contacts. Therefore, our data unequivocally evidence that LuFe2O4 is not ferroelectric.

  12. Potential energy surface of triplet N2O2

    NASA Astrophysics Data System (ADS)

    Varga, Zoltan; Meana-Pañeda, Rubén; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G.

    2016-01-01

    We present a global ground-state triplet potential energy surface for the N2O2 system that is suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation. The surface is based on multi-state complete-active-space second-order perturbation theory/minimally augmented correlation-consistent polarized valence triple-zeta electronic structure calculations plus dynamically scaled external correlation. In the multireference calculations, the active space has 14 electrons in 12 orbitals. The calculations cover nine arrangements corresponding to dissociative diatom-diatom collisions of N2, O2, and nitric oxide (NO), the interaction of a triatomic molecule (N2O and NO2) with the fourth atom, and the interaction of a diatomic molecule with a single atom (i.e., the triatomic subsystems). The global ground-state potential energy surface was obtained by fitting the many-body interaction to 54 889 electronic structure data points with a fitting function that is a permutationally invariant polynomial in terms of bond-order functions of the six interatomic distances.

  13. Potential energy surface of triplet N2O2.

    PubMed

    Varga, Zoltan; Meana-Pañeda, Rubén; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G

    2016-01-14

    We present a global ground-state triplet potential energy surface for the N2O2 system that is suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation. The surface is based on multi-state complete-active-space second-order perturbation theory/minimally augmented correlation-consistent polarized valence triple-zeta electronic structure calculations plus dynamically scaled external correlation. In the multireference calculations, the active space has 14 electrons in 12 orbitals. The calculations cover nine arrangements corresponding to dissociative diatom-diatom collisions of N2, O2, and nitric oxide (NO), the interaction of a triatomic molecule (N2O and NO2) with the fourth atom, and the interaction of a diatomic molecule with a single atom (i.e., the triatomic subsystems). The global ground-state potential energy surface was obtained by fitting the many-body interaction to 54 889 electronic structure data points with a fitting function that is a permutationally invariant polynomial in terms of bond-order functions of the six interatomic distances. PMID:26772574

  14. An Accurate Potential Energy Surface for H2O

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    We have carried out extensive high quality ab initio electronic structure calculations of the ground state potential energy surface (PES) and dipole moment function (DMF) for H2O. A small adjustment is made to the PES to improve the agreement of line positions from theory and experiment. The theoretical line positions are obtained from variational ro-vibrational calculations using the exact kinetic energy operator. For the lines being fitted, the root-mean-square error was reduced from 6.9 to 0.08 /cm. We were then able to match 30,092 of the 30,117 lines from the HITRAN 96 data base to theoretical lines, and 80% of the line positions differed less than 0.1 /cm. About 3% of the line positions in the experimental data base appear to be incorrect. Theory predicts the existence of many additional weak lines with intensities above the cutoff used in the data base. To obtain results of similar accuracy for HDO, a mass dependent correction to the PH is introduced and is parameterized by simultaneously fitting line positions for HDO and D2O. The mass dependent PH has good predictive value for T2O and HTO. Nonadiabatic effects are not explicitly included. Line strengths for vibrational bands summed over rotational levels usually agree well between theory and experiment, but individual line strengths can differ greatly. A high temperature line list containing about 380 million lines has been generated using the present PES and DMF

  15. Electronic and magnetic properties of electron-doped V2O5 and NaV2O5

    NASA Astrophysics Data System (ADS)

    Bhandari, Churna; Lambrecht, Walter R. L.

    2015-09-01

    Because of its narrow split-off conduction band, doping of V2O5 leads to interesting strongly correlated electrons. We study the effects of doping on V2O5 's electronic and magnetic properties, either by adding electrons compensated by an artificial homogeneous background, or a virtual crystal approximation (VCA), by changing the atomic number ZV, so as to keep charge neutrality, or by explicitly introducing Na as a dopant. The former two are considered as a way to simulate injected charge by gating, the latter occurs in the vanadium bronze NaV2O5 . We also simulate Na1 -xV2O5 using a virtual crystal approximation by changing the atomic number 10 ≤ZNa≤11 . The differences in the band structure, which result from how the electrons added to the band are compensated by positive charge in the three models, are compared. The electronic band structures are calculated using the quasiparticle self-consistent Q S G W method including a lattice polarization correction and the local spin density functional method with Hubbard-U corrections (LSDA+U ). For NaV2O5 , the half-filling leads to a splitting of the up- and down-spin lowest dx y band. The spins are found to prefer an antiferromagnetic ordering along the chain direction. Other spin configurations are shown to have higher energy and the exchange interactions are extracted and compared with literature. The optical conductivities are calculated and compared with experiment. Similar results are found for simply doping the band compensated by a background or virtual crystal approximation. However, the position of the occupied bands depends on the method chosen for compensating the charge. The most realistic way to simulate gating in which the compensating charge is kept away from the V2O5 layer is the VCA with varying ZNa. The splitting between the up- and down-spin bands depends on the filling. We find that below a certain concentration of about 0.88 electrons per V, the FM arrangement becomes preferable over the

  16. Increasing extracellular H2O2 produces a bi-phasic response in intracellular H2O2, with peroxiredoxin hyperoxidation only triggered once the cellular H2O2-buffering capacity is overwhelmed.

    PubMed

    Tomalin, Lewis Elwood; Day, Alison Michelle; Underwood, Zoe Elizabeth; Smith, Graham Robert; Dalle Pezze, Piero; Rallis, Charalampos; Patel, Waseema; Dickinson, Bryan Craig; Bähler, Jürg; Brewer, Thomas Francis; Chang, Christopher Joh-Leung; Shanley, Daryl Pierson; Veal, Elizabeth Ann

    2016-06-01

    Reactive oxygen species, such as H2O2, can damage cells but also promote fundamental processes, including growth, differentiation and migration. The mechanisms allowing cells to differentially respond to toxic or signaling H2O2 levels are poorly defined. Here we reveal that increasing external H2O2 produces a bi-phasic response in intracellular H2O2. Peroxiredoxins (Prx) are abundant peroxidases which protect against genome instability, ageing and cancer. We have developed a dynamic model simulating in vivo changes in Prx oxidation. Remarkably, we show that the thioredoxin peroxidase activity of Prx does not provide any significant protection against external rises in H2O2. Instead, our model and experimental data are consistent with low levels of extracellular H2O2 being efficiently buffered by other thioredoxin-dependent activities, including H2O2-reactive cysteines in the thiol-proteome. We show that when extracellular H2O2 levels overwhelm this buffering capacity, the consequent rise in intracellular H2O2 triggers hyperoxidation of Prx to thioredoxin-resistant, peroxidase-inactive form/s. Accordingly, Prx hyperoxidation signals that H2O2 defenses are breached, diverting thioredoxin to repair damage. PMID:26944189

  17. Reconstructing Final H2O Contents of Hydrated Rhyolitic Glasses: Insights into H2O Degassing and Eruptive Style of Silicic Submarine Volcanoes

    NASA Astrophysics Data System (ADS)

    McIntosh, I. M.; Nichols, A. R.; Tani, K.; Llewellin, E. W.

    2015-12-01

    H2O degassing influences the evolution of magma viscosity and vesicularity during ascent through the crust, and ultimately the eruptive style. Investigating H2O degassing requires data on both initial and final H2O contents. Initial H2O contents are revealed by melt inclusion data, while final H2O contents are found from dissolved H2O contents of volcanic glass. However volcanic glasses, particularly of silicic composition, are susceptible to secondary hydration i.e. the addition of H2O from the surrounding environment at ambient temperature during the time following pyroclast deposition. Obtaining meaningful final H2O data therefore requires distinguishing between the original final dissolved H2O content and the H2O added subsequently during hydration. Since H2O added during hydration is added as molecular H2O (H2Om), and the species interconversion between H2Om and hydroxyl (OH) species is negligible at ambient temperature, the final OH content of the glass remains unaltered during hydration. By using H2O speciation models to find the original H2Om content that would correspond to the measured OH content of the glass, the original total H2O (H2Ot) content of the glass prior to hydration can be reconstructed. These H2O speciation data are obtained using FTIR spectroscopy. In many cases, particularly where vesicular glasses necessitate thin wafers, OH cannot be measured directly and instead is calculated indirectly as OH = H2Ot - H2Om. Here we demonstrate the importance of using a speciation-dependent H2Ot molar absorptivity coefficient to obtain accurate H2Ot and H2O speciation data and outline a methodology for calculating such a coefficient for rhyolite glasses, with application to hydrated silicic pumice from submarine volcanoes in the Japanese Izu-Bonin Arc. Although hydrated pumice from Kurose Nishi and Oomurodashi now contain ~1.0 - 2.5 wt% H2Ot, their pre-hydration final H2O contents were typically ~0.3 - 0.4 wt% H2Ot. Furthermore, we show that pre

  18. Preparation and characterization of thin films of MgO, Al2O3 and MgAl2O4 by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Huang, Ron; Kitai, Adrian H.

    1993-02-01

    MgO, Al2O3 and MgAl2O4 thin films were deposited on silicon substrates at various temperatures by the atomic layer deposition (ALD) method using bis(cyclopentadienyl)magnesium, triethylaluminum, and H2O and were characterized systematically. High-quality polycrystalline MgO films were deposited for a substrate temperature above 500°C, and amorphous thin films were deposited around 400°C. The deposited Al2O3 and MgAl2O4 thin films were characterized as amorphous in structure. Applicability of ALD to complex oxides is discussed.

  19. Infrared spectra and tunneling dynamics of the N{sub 2}–D{sub 2}O and OC–D{sub 2}O complexes in the v{sub 2} bend region of D{sub 2}O

    SciTech Connect

    Zhu, Yu; Zheng, Rui; Li, Song; Yang, Yu; Duan, Chuanxi

    2013-12-07

    The rovibrational spectra of the N{sub 2}–D{sub 2}O and OC–D{sub 2}O complexes in the v{sub 2} bend region of D{sub 2}O have been measured in a supersonic slit jet expansion using a rapid-scan tunable diode laser spectrometer. Both a-type and b-type transitions were observed for these two complexes. All transitions are doubled, due to the heavy water tunneling within the complexes. Assuming the tunneling splittings are the same in K{sub a} = 0 and K{sub a} = 1, the band origins, all three rotational and several distortion constants of each tunneling state were determined for N{sub 2}–D{sub 2}O in the ground and excited vibrational states, and for OC–D{sub 2}O in the excited vibrational state, respectively. The averaged band origin of OC–D{sub 2}O is blueshifted by 2.241 cm{sup −1} from that of the v{sub 2} band of the D{sub 2}O monomer, compared with 1.247 cm{sup −1} for N{sub 2}–D{sub 2}O. The tunneling splitting of N{sub 2}–D{sub 2}O in the ground state is 0.16359(28) cm{sup −1}, which is about five times that of OC–D{sub 2}O. The tunneling splittings decrease by about 26% for N{sub 2}–D{sub 2}O and 23% for OC–D{sub 2}O, respectively, upon excitation of the D{sub 2}O bending vibration, indicating an increase of the tunneling barrier in the excited vibrational state. The tunneling splittings are found to have a strong dependence on intramolecular vibrational excitation as well as a weak dependence on quantum number K{sub a}.

  20. Development and bioactivity evaluation of bioglasses with low Na2O content based on the system Na 2O-CaO-MgO-P 2O 5-SiO 2.

    PubMed

    El-Meliegy, Emad; Hamzawy, Esmat M A; El-Kady, Abeer M; Salama, Aida; El-Rashedi, Ahalam

    2012-09-01

    Osteoconductive bioglasses, free of K(2)O and Al(2)O(3) and with content of Na(2)O lower than 10 mol%, were designed based on the ratio (SiO(2) + MgO)/(P(2)O(5) + CaO + Na(2)O) in the system Na(2)O-CaO-MgO-P(2)O(5)-SiO(2). The developed glasses have shown a strong potential for the formation of hydroxycarbonated apatite (HCA) in vitro. The particles of HCA aggregates tend to be of finer size with increasing the ratio of (SiO(2) + MgO)/(CaO + P(2)O(5) + Na(2)O) in the glass chemical composition indicating significant bioactivity. Critical size bone defects created in the femurs of albino adult female rats, and grafted with the glass particles for 12 weeks post implantation, were completely healed by filling with mineralized bone matrix without infection showing a strong potential for new bone formation in vivo. Osteoblasts and osteocytes were observed close to the surface of the granular implants with active areas of bone deposition, resorption and remodelling. The bioglass with lowest (SiO(2) + MgO)/(CaO + P(2)O(5) + Na(2)O) ratio has shown the highest bioactivity while the bioglass with the highest (SiO(2) + MgO)/(CaO + P(2)O(5) + Na(2)O) has shown the lowest bioactivity. The newly formed bone in vivo has shown a similar structure to that of the original bone as indicated by the histology and microstructural results. In addition, Ca/P molar ratio of the newly formed bone was found to be (~1.67), which is similar to that of the original bone. PMID:22648420

  1. Zero photoelastic and water durable ZnO-SnO-P2O5-B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Saitoh, Akira; Nakata, Kohei; Tricot, Grégory; Chen, Yuanyuan; Yamamoto, Naoki; Takebe, Hiromichi

    2015-04-01

    We report properties of zero birefringent xZnO-(67-x)SnO-(33-y)P2O5-y B2O3 glasses, within 18.5 ≤ x ≤ 22 and y = 0, 3, and 10 mol. %. These compositions of boro-phosphate glasses provide both zero photoelastic constant (PEC) and improved water durability. x = 19 and y = 3 compositions show minimum PEC of -0.002 × 10-12 Pa-1, which can contribute to candidate material for fiber current sensor devise without lead. The structures of zero photoelastic glasses were investigated by Raman scattering and nuclear magnetic resonance spectroscopies. Compositions of zero PEC glasses are explained by the empirical model proposed by Zwanziger et al. [Chem. Mater. 19, 286-290 (2007)].

  2. Spectroscopic investigations of Er3+ :CdO-Bi2 O3-B2O3 glasses.

    PubMed

    Nageswara Raju, C; Adinarayana Reddy, C; Sailaja, S; Seo, Hyo Jin; Sudhakar Reddy, B

    2012-01-01

    This article reports on the optical properties of Er3+ ions doped CdO-Bi2O3-B2O3 (CdBiB) glasses. The materials were characterized by optical absorption and emission spectra. By using Judd-Ofelt theory, the intensity parameters Ω(λ) (λ = 2, 4, 6) and also oscillatory strengths were calculated from the absorption spectra. The results were used to compute the radiative properties of Er3+ :CdBiB glasses. The concentration quenching and energy transfer from Yb3+ -Er3+ were explained. The stimulated emission cross-section, full width at half maximum (FWHM) and FWHM × σpE values are also calculated for all the Er3+ CdBiB glasses. PMID:21932395

  3. H2O Adsorption on Smectites: Application to the Diurnal Variation of H2O in the Martian Atmosphere

    NASA Technical Reports Server (NTRS)

    Zent, Aaron P.; Howard, J.; Quinn, R. C.

    2000-01-01

    Observations of the Martian planetary boundary layer lead to interpretations that are baffling and contradictory. In this paper, we specifically address the question of whether or not water vapor finds a substantial diurnal reservoir in the Martian regolith. To address this issue, we have measured H2O adsorption kinetics on SWy-1, a Na-rich montmorillonite from Wyoming. The highest-temperature (273 K) data equilibrates rapidly. Data gathered at realistic H2O partial pressures and temperatures appropriate to early morning show two phenomena that preclude a significant role for smectites in diurnally exchanging a large column abundance. First, the equilibration timescale is longer than a sol. Second, the equilibrium abundances are a small fraction of that predicted by earlier adsorption isotherms. The explanation for this phenomenon is that smectite clay actually increases its surface area as a function of adsorptive coverage. At Mars-like conditions, we show that the interlayer sites of smectites are likely to be unavailable.

  4. Critical Evaluation and Thermodynamic Optimization of the Na2O-FeO-Fe2O3 System

    NASA Astrophysics Data System (ADS)

    Moosavi-Khoonsari, Elmira; Jung, In-Ho

    2016-02-01

    A complete literature review, critical evaluation, and thermodynamic optimization of experimental phase diagrams and thermodynamic properties of the Na2O-FeO-Fe2O3 system were performed at 1 bar total pressure. A set of optimized model parameters obtained for all phases present in this system reproduces available and reliable thermodynamic properties and phase equilibria within experimental error limits from 298 K (25 °C) to above liquidus temperatures for all compositions and oxygen partial pressures from metallic saturation to 1 atm. The liquid phase was modeled based on the Modified Quasichemical Model by considering the possible formation of NaFeO2 associate in the liquid state. Complicated subsolidus phase relations depending on the oxygen partial pressure and temperature were elucidated, and discrepancies among experimental data were resolved.

  5. Mesospheric H2O and H2O2 densities inferred from in situ positive ion composition measurement

    NASA Technical Reports Server (NTRS)

    Kopp, E.

    1984-01-01

    A model for production and loss of oxonium ions in the high-latitude D-region is developed, based on the observed excess of 34(+) which has been interpreted as H2O2(+). The loss mechanism suggested in the study is the attachment of N2 and/or CO2 in three-body reactions. Furthermore, mesospheric water vapor and H2O2 densities are inferred from measurements of four high-latitude ion compositions, based on the oxonium model. Mixing ratios of hydrogen peroxide of up to two orders of magnitude higher than previous values were obtained. A number of reactions, reaction constants, and a block diagram of the oxonium ion chemistry in the D-region are given.

  6. Effects of H2O and H2O2 on Thermal Desorption of Tritium from Stainless Steel

    SciTech Connect

    Quinlan, M.J.; Shmayda, W.T.; Lim, S.; Salnikov, S.; Chambers, Z.; Pollock, E.; Schroder, W.U.

    2010-03-12

    Tritiated stainless steel was subjected to thermal desorption at various temperatures, different temperature profiles, and in the presence of different helium carrier gas additives. In all cases the identities of the desorbing tritiated species were characterized as either water-soluble or insoluble. The samples were found to contain 1.1 mCi±0.4 mCi. Approximately ninety-five percent of this activity was released in molecular water-soluble form. Additives of H2O or H2O2 to dry helium carrier gas increase the desorption rate and lower the maximum temperature to which the sample must be heated, in order to remove the bulk of the tritium. The measurements validate a method of decontamination of tritiated steel and suggest a technique that can be used to further explore the mechanisms of desorption from tritiated metals.

  7. Photoionization of rotationally cooled H2O and D2O in the region 650-990 A

    NASA Astrophysics Data System (ADS)

    Dehmer, P. M.; Holland, D. M. P.

    1991-03-01

    Room temperature and rotationally cooled relative photoionization cross sections for H2O and D2O were determined in the wavelength region 650-990 A with a wavelength resolution of 0.06-0.11 A. The spectra were normalized to the absolute photoionization cross sections determined by Katayama et al. (1973) with lower resolution. A rotational analysis of the Pi subbands in the (0,6,0) and (0,8,0) bands of a Rydberg transition determined the symmetry of the upper state; in addition, the series was extended to higher principal quantum numbers. The analysis of these and other bands was made difficult both by the large natural linewidths of the rotational transitions and by the absence of transitions to rotational levels with N-prime above 3.

  8. Comparison of the growth kinetics of In2O3 and Ga2O3 and their suboxide desorption during plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Vogt, Patrick; Bierwagen, Oliver

    2016-08-01

    We present a comprehensive study of the In2O3 growth kinetics during plasma-assisted molecular beam epitaxy and compare it to that of the related oxide Ga2O3 [P. Vogt and O. Bierwagen, Appl. Phys. Lett. 108, 072101 (2016)]. The growth rate and desorbing fluxes were measured during growth in-situ by a laser reflectometry set-up and line-of-sight quadrupole mass spectrometer, respectively. We extracted the In incorporation as a function of the provided In flux, different growth temperatures TG, and In-to-O flux ratios r. The data are discussed in terms of the competing formation of In2O3 and desorption of the suboxide In2O and O. The same three growth regimes as in the case of Ga2O3 can be distinguished: (i) In-transport limited, O-rich (ii) In2O-desorption limited, O-rich, and (iii) O-transport limited, In-rich. In regime (iii), In droplets are formed on the growth surface at low TG. The growth kinetics follows qualitatively that of Ga2O3 in agreement with their common oxide and suboxide stoichiometry. The quantitative differences are mainly rationalized by the difference in In2O and Ga2O desorption rates and vapor pressures. For the In2O, Ga2O, and O desorption, we extracted the activation energies and frequency factors by means of Arrhenius-plots.

  9. Isotope fractionations factors of N2O production and reduction by denitrification: a. Laboratory incubation studies using N2O reductase inhibition

    NASA Astrophysics Data System (ADS)

    Well, Reinhard; Weymann, Daniel; Lewicka-Szczebak, Dominika; Rohe, Lena; Flessa, Heinz

    2013-04-01

    Isotopologue signatures of N2O such as δ18O, average δ15N (δ15Nbulk) and 15N site preference (SP = difference in δ15N between the central and peripheral N positions of the asymmetric N2O molecule) can be used to constrain the atmospheric N2O budget and to characterize N2O turnover processes. However, the use of this approach to study N2O dynamics in soils requires knowledge of isotopologue fractionation factors (?) for the various partial processes involved, e.g. N2O production by nitrification or denitrification, and N2O reduction by denitrification. Here we present results from laboratory incubations of soils and aquifer material to determine ?gf N2O production (?prod) and N2O reduction to N2 (?red) during denitrification. ?prod for δ18O, δ15Nbulk and SP was obtained by anaerobic incubation of NO3- amended soils when N2O reduction was inhibited by 10 kPa acetylene. ?red of the respective signatures was derived by comparing treatments with and without inhibition of N2O reduction. We investigated samples from 4 mineral soils, one organic soil and from a sandy aquifer. The mineral soils were incubated under unsaturated conditions in closed or open systems, the organic and aquifer samples as homogenized slurries in a closed system. Results of fractionation factors, process rates and incubation conditions will be presented and discussed in view of previous studies and theoretical considerations.

  10. Interfacial reactions and oxidation behavior of Al 2O 3 and Al 2O 3/Al coatings on an orthorhombic Ti 2AlNb alloy

    NASA Astrophysics Data System (ADS)

    Li, H. Q.; Wang, Q. M.; Gong, J.; Sun, C.

    2011-02-01

    The uniform and dense Al2O3 and Al2O3/Al coatings were deposited on an orthorhombic Ti2AlNb alloy by filtered arc ion plating. The interfacial reactions of the Al2O3/Ti2AlNb and Al2O3/Al/Ti2AlNb specimens after vacuum annealing at 750 °C were studied. In the Al2O3/Ti2AlNb specimens, the Al2O3 coating decomposed significantly due to reaction between the Al2O3 coating and the O-Ti2AlNb substrate. In the Al2O3/Al/Ti2AlNb specimens, a γ-TiAl layer and an Nb-rich zone came into being by interdiffusion between the Al layer and the O-Ti2AlNb substrate. The γ-TiAl layer is chemically compatible with Al2O3, with no decomposition of Al2O3 being detected. No internal oxidation or oxygen and nitrogen dissolution zone was observed in the O-Ti2AlNb alloy. The Al2O3/Al/Ti2AlNb specimens exhibited excellent oxidation resistance at 750 °C.

  11. Effect of Yb2O3 doping on the grain boundary of NiFe2O4-10NiO-based cermets after sintering

    NASA Astrophysics Data System (ADS)

    He, Han-bing

    2015-12-01

    xYb2O3-15(20Ni-Cu)/(85 - x)(NiFe2O4-10NiO) ( x = 0, 0.25, 0.5, 0.75, 1.0, 2.0, and 10.0) cermets for aluminum electrolysis were prepared to investigate the effect of Yb2O3 doping on the grain boundary of the cermets after sintering. The results showed that each interface was very clear and that with increasing Yb2O3 content, most of the Yb was evenly distributed at the grain boundary. Moreover, according to the phase composition and microstructural analysis by X-ray diffraction (XRD), scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDX), and electron probe microanalysis (EPMA), YbFeO3 was produced along the grain boundary. The YbFeO3 was concluded to not only have formed from the interaction between the NiFe2O4 or Fe2O3 component and Yb2O3 at the grain boundary of the cermets, but also from the decomposition of NiFe2O4 into NiO and Fe2O3 and the subsequent reaction of Fe2O3 with Yb2O3. Thus, the production of YbFeO3 resulted in a cermet with high relative density, good electrical conductivity, and good corrosion resistance.

  12. Oxidation of bisphenol A by UV/S2O8(2-): comparison with UV/H2O2.

    PubMed

    Yoon, Sung-Hwan; Jeong, Seongpil; Lee, Seockheon

    2012-01-01

    The UV/S2O8(2-) process was applied to decompose bisphenol A (BPA), which is a representative endocrine-disrupting chemical (EDC), and was comared with the UV/H2O2 process. The BPA degradation efficiency by UV/S2O8(2-) was increased by increasing S2O8(2-) concentration or decreasing BPA concentration. The presence of humic acid caused an inhibitory effect. The BPA oxidation rate by UV/S2O8(2-) was increased in the following order: neutral pH (pH(i) = 7) < acidic pH (pH(i) = 4) < basic pH (pH(i) = 10). The main oxidizing species in the UV/S2O8(2-) system was sulphate radical (SO4(-*)), whereas the main oxidizing species in the UV/H2O2 system was OH radical (OH*). Compared with UV/H2O2, the UV/S2O8(2-) process showed higher performance for not only BPA degradation but also its mineralization, which means that SO4(-*) is a more effective oxidant for BPA than the OH*. The results shown in this study imply that the SO4(-*) -based UV/S2O8(2-) process can be an excellent alternative process for the widely used UV/H2O2 process, with higher remediation performance. PMID:22519095

  13. MgV 2O 5and δLi xV 2O 5: A Comparative Structural Investigation

    NASA Astrophysics Data System (ADS)

    Millet, Patrice; Satto, Christine; Sciau, Philippe; Galy, Jean

    1998-02-01

    The structures of MgV 2O 5and δLiV 2O 5have been determined form X-ray powder diffraction Rietveld analysis at 294 and 83 K. The compounds crystallize in the orthorhombic system, space group Cmcm, with the following cell parameters (Å): at 294 K, aMg=3.6913(2), bMg=9.9710(4), cMg=11.0173(4), aLi= 3.6047(2), bLi=9.9157(5), cLi=11.2479(4); at 83 K, aMg= 3.6928(2), bMg=9.9576(3), cMg=11.0096(4), aLi=3.6031(2), bLi=9.8734(4), cLi=11.2350(4). The general network, with four formulas per unit, is built up by parallel puckered [V 2O 5] nlayers of [VO 5] square pyramids sharing edges and corners alternately shifted by a/2 in the [100] direction and held together by intercalated Mg or Li atoms. The main difference between the two is induced by the higher polarization of the magnesium atoms compared to the lithium atoms, which leads to higher puckering angles of 21.0° and 11.3°, respectively. Both magnesium and lithium atoms are surrounded by four close oxygens making a distorted tetrahedron. Despite the presence of both V 4+and V 5+in δLiV 2O 5, no electronic localization occurs at the crystallographic sites corresponding to these vanadium species. This fact could be attributed to the low energy available to the system during the low-temperature synthesis.

  14. Impedance spectroscopy of V2O5-Bi2O3-BaTiO3 glass-ceramics

    NASA Astrophysics Data System (ADS)

    Al-syadi, Aref M.; Yousef, El Sayed; El-Desoky, M. M.; Al-Assiri, M. S.

    2013-12-01

    The glasses within composition as: (80 - x)V2O5/20Bi2O3/xBaTiO3 with x = 2.5, 5, 7.5 and 10 mol% have been prepared. The glass transition (Tg) increases with increasing BaTiO3 content. Synthesized glasses ceramic containing BaTi4O9, Ba3TiV4O15 nanoparticles of the order of 25-35 nm and 30-46 nm, respectively were estimated using XRD. The dielectric properties over wide ranges of frequencies and temperatures were investigated as a function of BaTiO3 content by impedance spectroscopy measurements. The hopping frequency, ωh, dielectric constant, ɛ', activation energies for the DC conduction, Eσ, the relaxation process, Ec, and stretched exponential parameter β of the glasses samples have been estimated. The, ωh,β, decrease from 51.63 to 0.31 × 106 (s-1), 0.84 to 0.79 with increasing BaTiO3 respectively. Otherwise, the Eσ, increase from 0.279 to 0.306 eV with increasing BaTiO3. The value of dielectric constant equal 9.5·103 for the 2.5BaTiO3/77.5V2O5/20Bi2O3 glasses-ceramic at 330 K for 1 KHz which is ten times larger than that of same glasses composition. Finally the relaxation properties of the investigated glasses are presented in the electric modulus formalism, where the relaxation time and the respective activation energy were determined.

  15. High-pressure induced phase transitions of Y[subscript 2]O[subscript 3] and Y[subscript 2]O[subscript 3]:Eu[superscript 3+

    SciTech Connect

    Wang, Lin; Pan, Yuexiao; Ding, Yang; Yang, Wenge; Mao, Wendy L.; Sinogeikin, Stanislav V.; Meng, Yue; Shen, Guoyin; Mao, Ho-kwang

    2009-02-23

    We investigated high-pressure induced phase transitions in Y{sub 2}O{sub 3} and Eu-doped Y{sub 2}O{sub 3} (Y{sub 2}O:Eu{sup 3+}) using angular dispersive synchrotron x-ray diffraction, Raman spectroscopy, and photoluminescence (PL). With increasing pressure, we observed a series of phase transformations in Y{sub 2}O{sub 3}:Eu{sup 3+}, which followed a structure sequence of cubic {yields} monoclinic {yields} hexagonal, while Y{sub 2}O{sub 3} followed a sequence of cubic {yields} hexagonal. During decompression, both hexagonal structured Y{sub 2}O{sub 3} and Y{sub 2}O{sub 3}:Eu{sup 3+} transformed into monoclinic phases which were quenchable back to ambient pressure. Raman and PL measurements shed additional light on the different phase transition behavior in these two samples.

  16. Effect of Cu2O morphology on photocatalytic hydrogen generation and chemical stability of TiO2/Cu2O composite.

    PubMed

    Zhu, Lihong; Zhang, Junying; Chen, Ziyu; Liu, Kejia; Gao, Hong

    2013-07-01

    Improving photocatalytic activity and stability of TiO2/Cu2O composite is a challenge in generating hydrogen from water. In this paper, the TiO2 film/Cu2O microgrid composite was prepared via a microsphere lithography technique, which possesses a remarkable performance of producing H2 under UV-vis light irradiation, in comparison with pure TiO2 film, Cu2O film and TiO2 film/Cu2O film. More interesting is that in TiO2 film/Cu2O microgrid, photo-corrosion of Cu2O can be retarded. After deposition of Pt on its surface, the photocatalytic activity of TiO2/Cu2O microgrid in producing H2 is improved greatly. PMID:23901536

  17. Optimizing Colorimetric Assay Based on V2O5 Nanozymes for Sensitive Detection of H2O2 and Glucose

    PubMed Central

    Sun, Jiaheng; Li, Chunyan; Qi, Yanfei; Guo, Shuanli; Liang, Xue

    2016-01-01

    Nanozyme-based chemical sensing is a rapidly emerging field of research. Herein, a simple colorimetric assay for the detection of hydrogen peroxide and glucose based on the peroxidase-like activity of V2O5 nanozymes has been established. In this assay, the effects of pH, substrate, nanozyme concentrations and buffer solution have been investigated. It was found that compared with 3,3′,5,5′-tetramethylbenzidine (TMB), the enzyme substrate o-phenylenediamine (OPD) seriously interfered with the H2O2 detection. Under the optimal reaction conditions, the resulting sensor displayed a good response to H2O2 with a linear range of 1 to 500 μM, and a detection limit of 1 μM at a signal-to-noise ratio of 3. A linear correlation was established between absorbance intensity and concentration of glucose from 10 to 2000 μM, with a detection limit of 10 μM. The current work presents a simple, cheap, more convenient, sensitive, and easy handling colorimetric assay. PMID:27110794

  18. Using a Microwave Resonant Cavity to Study Hydrogen Bonding at Phase Transition in H2O and D2O

    NASA Astrophysics Data System (ADS)

    Roberts, Jim; Dahiya, Jai; Ghosh, S.

    2012-10-01

    The resonant microwave cavity is a very sensitive device for detecting small changes in material properties as they are perturbed by temperature, electric and magnetic fields. In this laboratory all states of mater have studied with the resonant cavity, including the plasma state. In this paper we report on an experiment with water as it changes from liquid (disordered) to water ice (ordered) phase. In that hydrogen bonds are involved in this process, we are able to observe their behavior through the dielectric response of H2O as it is cycled from solid to liquid. The transition through the densest state of water near 4^oC indicates that the structure of the water molecules in the ice phase at 0^o C is less compact than that experienced at the most dense temperature of water. If we associate this density with the interaction of the hydrogen bonds, it can be postulated that the distribution of the structure in snowflakes is a consequence of random processes in sharing the hydrogen bonds as the system cycles from the ``disordered'' state to the more ordered state. In this work phase transition from liquid to solid and solid to liquid was studied for H2O and D2O. It was assumed that the bonding of the two molecules behave the same during the transition from ordered to disordered states and in the reverse transition for disordered to ordered states. The apparatus employed in this investigation is discussed briefly.

  19. Using a Microwave Resonant Cavity to Study Hydrogen Bonding at Phase Transition in H2O and D2O

    NASA Astrophysics Data System (ADS)

    Roberts, James; Dahiya, Jai

    2010-10-01

    The resonant microwave cavity is a very sensitive device for detecting small changes in material properties as they are perturbed by temperature, electric and magnetic fields. In this laboratory all states of mater have studied with the resonant cavity, including the plasma state. In this paper we report on an experiment with water as it changes from liquid (disordered) to water ice (ordered) phase. In that hydrogen bonds are involved n this process, we are able to observe behavior in the dielectric response of H2O as it is cycled from solid to liquid. The transition through the densest state of water near 4^oC indicates that the order of the water molecules in the ice phase is less than that experienced at the most dense temperature of water. If we associate this density with the interaction of the hydrogen bonds, it can be postulated that the distribution of the structure in snowflakes is a consequence of random processes in sharing the hydrogen bonds as the system cycles from the disordered state to the more ordered state. Phase transition from liquid to solid and solid to liquid was studied for H2O and D2O. It is expected that the bonding of the two molecules will behave the same during the transition from ordered to disordered states and in the reverse transition. The apparatus used in this investigation will be discussed.

  20. Immiscibility in the NiFe2O4-NiCr2O4 Spinel Binary

    SciTech Connect

    S Ziemniak

    2004-08-13

    The solid solution behavior of the Ni(Fe{sub 1-n}Cr{sub n}){sub 2}O{sub 4} spinel binary is investigated in the temperature range 400-1200 C. Non-ideal solution behavior, as exhibited by non-linear changes in lattice parameter with changes in n, is observed in a series of single-phase solids air-cooled from 1200 C. Air-annealing for one year at 600 C resulted in partial phase separation in a spinel binary having n = 0.5. Spinel crystals grown from NiO, Fe{sub 2}O{sub 3} and Cr{sub 2}O{sub 3} reactants, mixed to give NiCrFeO{sub 4}, by Ostwald ripening in a molten salt solvent, exhibited single phase stability down to about 750 C (the estimated consolute solution temperature, T{sub cs}). A solvus exists below T{sub cs}. The solvus becomes increasingly asymmetric at lower temperatures and extrapolates to n values of 0.2 and 0.7 at 300 C. The extrapolated solvus is shown to be consistent with that predicted using a primitive regular solution model in which free energies of mixing are determined entirely from changes in configurational entropy at room temperature.

  1. H2O masers from low and intermediate luminosity young stellar objects: H2O masers and YSOs

    NASA Astrophysics Data System (ADS)

    Persi, P.; Palagi, F.; Felli, M.

    1994-11-01

    We have used the Medicina 32-m radiotelescope to search for H2O 22.2 GHz maser emission from a sample of 68 red peculiar nebulosities associated with low luminosity (LIR less than 103 solar luminosity)) and intermediate luminosity (LIR approximately 104 solar luminosity) Young Stellar Objects (YSOs). H2O maser emission was detected in 9 sources, with a new detection in IRAS 18265+0028. Comparison with other samples indicates that YSOs have a higher probability of hosting an H2O maser, when they are associated with red peculiar nebulosities. Seven of the detected sources are associated with molecular outflows, which confirms that these two phenomena are strictly correlated. The maser sources associated with the Class I YSOs (IRAS 03225+3034, and IRAS 03245+3002, in the dark clouds L1448 and L1455 respectively) appear overluminous with respect to their IR luminosity. The maser emission shows a remarkable variability on time scales of months and years, which tends to be larger for lower luminosity sources. This is indicative of unsaturated emission in low luminosity sources.

  2. A (3 + 3)-dimensional "hypercubic" oxide-ionic conductor: type II Bi2O3-Nb2O5.

    PubMed

    Ling, Chris D; Schmid, Siegbert; Blanchard, Peter E R; Petříček, Vaclav; McIntyre, Garry J; Sharma, Neeraj; Maljuk, Andrey; Yaremchenko, Aleksey A; Kharton, Vladislav V; Gutmann, Matthias; Withers, Ray L

    2013-05-01

    The high-temperature cubic form of bismuth oxide, δ-Bi2O3, is the best intermediate-temperature oxide-ionic conductor known. The most elegant way of stabilizing δ-Bi2O3 to room temperature, while preserving a large part of its conductivity, is by doping with higher valent transition metals to create wide solid-solutions fields with exceedingly rare and complex (3 + 3)-dimensional incommensurately modulated "hypercubic" structures. These materials remain poorly understood because no such structure has ever been quantitatively solved and refined, due to both the complexity of the problem and a lack of adequate experimental data. We have addressed this by growing a large (centimeter scale) crystal using a novel refluxing floating-zone method, collecting high-quality single-crystal neutron diffraction data, and treating its structure together with X-ray diffraction data within the superspace symmetry formalism. The structure can be understood as an "inflated" pyrochlore, in which corner-connected NbO6 octahedral chains move smoothly apart to accommodate the solid solution. While some oxide vacancies are ordered into these chains, the rest are distributed throughout a continuous three-dimensional network of wide δ-Bi2O3-like channels, explaining the high oxide-ionic conductivity compared to commensurately modulated phases in the same pseudobinary system. PMID:23570580

  3. Short belt-like Ca 2 B 2 O 5 ·H 2 O nanostructures: Hydrothermal formation, FT-IR, thermal decomposition, and optical properties

    NASA Astrophysics Data System (ADS)

    Zhu, Wancheng; Zhang, Xiao; Wang, Xiaoli; Zhang, Heng; Zhang, Qiang; Xiang, Lan

    2011-10-01

    Uniform high crystallinity short belt-like Ca 2B 2O 5·H 2O nanostructures (nanobelts) were facilely synthesized through a room temperature coprecipitation of CaCl 2, H 3BO 3, and NaOH solutions, followed by a mild hydrothermal treatment (180 °C, 12.0 h). By a preferential growth parallel to the (1 0 0) planes, Ca 2B 2O 5·H 2O nanobelts with a length of 1-5 μm, a width of 100-400 nm, and a thickness of 55-90 nm were obtained. The calcination of the nanobelts at 500 °C for 2.0 h led to short Ca 2B 2O 5 nanobelts with well preserved 1D morphology. Calcination at 800 °C led to a mixture of Ca 2B 2O 5 and Ca 3B 2O 6. The products were with belt-like and quasi-polyhedron morphology, while they turned into pore-free micro-rod like and polyhedron morphology when the calcination was taken in the presence of NaCl. NaCl assisted high temperature calcination at 900 °C promoted the formation of Ca 3B 2O 6 in the products. When dispersed in deionized water or absolute ethanol, the Ca 2B 2O 5·H 2O nanobelts and Ca 2B 2O 5 nanobelts showed good transparency from the ultraviolet to the visible region. The as-synthesized Ca 2B 2O 5·H 2O and Ca 2B 2O 5 nanobelts can be employed as novel metal borate nanomaterials for further potential applications in the area of glass fibers, antiwear additive, ceramic coatings, and so on.

  4. Physical, optical and structural properties of xNa2O-(50-x)Bi2O3-10ZnO-40B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Dahiya, Sajjan; Maan, A. S.; Punia, R.; Kundu, R. S.; Murugavel, S.

    2013-02-01

    Glasses with composition xNa2O-(50-x)Bi2O3-10ZnO-40B2O3 with 0 ≤ x≤ 20 have been synthesized by conventional melt quench method. Density and molar volume decreases with increase in Na2O content. The optical absorption studies revealed that the cutoff wavelength decreases and optical band gap (Eopt) increases with increase in Na2O content and the present glass system shows indirect allowed transitions. The IR studies indicate that these glasses are made up of [BiO3] [BiO6], [BO3] and [BO4] basic structural units. Na2O acts a network modifier and modify the glass structure.

  5. Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) → I· + e(-)(H2O)(1-4).

    PubMed

    Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen

    2013-05-16

    Four iodide anionic water clusters of I(-)(H2O)1-4 in two supramolecular complexes of [Fe(phen)3][I2(H2O)3] (1) and [Zn(phen)3][I2(H2O)4.5] (2) have been determined by single-crystal X-ray diffraction analysis. The diffuse reflectance spectra for the solid iodide anionic water clusters of I(-)(H2O)1-4 were investigated, and their absorption bands were demonstrated by denisty functional theory calculation. The electrochemical reaction of I(-)(H2O)1-4 → I· + e(-)(H2O)1-4 with the oxidation potential of Ep = 0.61 eV was first found and reported in two aqueous solutions (1 mmol·dm(-3)) of 1 and 2. PMID:23614806

  6. Isotopomer-selective spectra of a single intact H2O molecule in the Cs(+)(D2O)5H2O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra.

    PubMed

    Wolke, Conrad T; Fournier, Joseph A; Miliordos, Evangelos; Kathmann, Shawn M; Xantheas, Sotiris S; Johnson, Mark A

    2016-02-21

    We report the vibrational signatures of a single H2O molecule occupying distinct sites of the hydration network in the Cs(+)(H2O)6 cluster. This is accomplished using isotopomer-selective IR-IR hole-burning on the Cs(+)(D2O)5(H2O) clusters formed by gas-phase exchange of a single, intact H2O molecule for D2O in the Cs(+)(D2O)6 ion. The OH stretching pattern of the Cs(+)(H2O)6 isotopologue is accurately recovered by superposition of the isotopomer spectra, thus establishing that the H2O incorporation is random and that the OH stretching manifold is largely due to contributions from decoupled water molecules. This behavior enables a powerful new way to extract structural information from vibrational spectra of size-selected clusters by explicitly identifying the local environments responsible for specific infrared features. The Cs(+)(H2O)6 structure was unambiguously assigned to the 4.1.1 isomer (a homodromic water tetramer with two additional flanking water molecules) from the fact that its computed IR spectrum matches the observed overall pattern and recovers the embedded correlations in the two OH stretching bands of the water molecule in the Cs(+)(D2O)5(H2O) isotopomers. The 4.1.1 isomer is the lowest in energy among other candidate networks at advanced (e.g., CCSD(T)) levels of theoretical treatment after corrections for (anharmonic) zero-point energy. With the structure in hand, we then explore the mechanical origin of the various band locations using a local electric field formalism. This approach promises to provide a transferrable scheme for the prediction of the OH stretching fundamentals displayed by water networks in close proximity to solute ions. PMID:26896984

  7. Isotopomer-selective spectra of a single intact H2O molecule in the Cs+(D2O)5H2O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra

    NASA Astrophysics Data System (ADS)

    Wolke, Conrad T.; Fournier, Joseph A.; Miliordos, Evangelos; Kathmann, Shawn M.; Xantheas, Sotiris S.; Johnson, Mark A.

    2016-02-01

    We report the vibrational signatures of a single H2O molecule occupying distinct sites of the hydration network in the Cs+(H2O)6 cluster. This is accomplished using isotopomer-selective IR-IR hole-burning on the Cs+(D2O)5(H2O) clusters formed by gas-phase exchange of a single, intact H2O molecule for D2O in the Cs+(D2O)6 ion. The OH stretching pattern of the Cs+(H2O)6 isotopologue is accurately recovered by superposition of the isotopomer spectra, thus establishing that the H2O incorporation is random and that the OH stretching manifold is largely due to contributions from decoupled water molecules. This behavior enables a powerful new way to extract structural information from vibrational spectra of size-selected clusters by explicitly identifying the local environments responsible for specific infrared features. The Cs+(H2O)6 structure was unambiguously assigned to the 4.1.1 isomer (a homodromic water tetramer with two additional flanking water molecules) from the fact that its computed IR spectrum matches the observed overall pattern and recovers the embedded correlations in the two OH stretching bands of the water molecule in the Cs+(D2O)5(H2O) isotopomers. The 4.1.1 isomer is the lowest in energy among other candidate networks at advanced (e.g., CCSD(T)) levels of theoretical treatment after corrections for (anharmonic) zero-point energy. With the structure in hand, we then explore the mechanical origin of the various band locations using a local electric field formalism. This approach promises to provide a transferrable scheme for the prediction of the OH stretching fundamentals displayed by water networks in close proximity to solute ions.

  8. Reversible Chromatic Response of Polydiacetylene Derivative Vesicles in D2O Solvent.

    PubMed

    Shin, Min Jae; Kim, Jong-Duk

    2016-01-26

    The thermal chromatic sensitivity of polydiacetylenes (PDAs) with 10,12-pentacosadiynoic acid (PCDA) derivatives, which have a hydroxyl group (HEEPCDA) and an amine group (APPCDA), were investigated using D2O and H2O as solvents. The vesicle solution with polymerized HEEPCDA exhibited a reversible chromatic response during the heating and cooling cycle in D2O, but not in H2O. On the other hand, the vesicle solution with the polymerized APPCDA exhibited a reversible chromatic response in H2O during the heating and cooling cycle, but the color of the solution did not change much in D2O. The critical vesicle concentration of HEEPCDA was lower in D2O than in H2O, and the chromatic sensitivity of the polymerized vesicles to temperature was slower in D2O than in H2O. We think that it is due to D2O being a more highly structured solvent than H2O with the hydrogen bonding in D2O stronger than that in H2O. PMID:26730887

  9. The Influence of Na2O on the Solidification and Crystallization Behavior of CaO-SiO2-Al2O3-Based Mold Flux

    NASA Astrophysics Data System (ADS)

    Gao, Jinxing; Wen, Guanghua; Sun, Qihao; Tang, Ping; Liu, Qiang

    2015-08-01

    The reaction between [Al] and SiO2 sharply increased the Al2O3 and decreased SiO2 contents in mold flux during the continuous casting of high-Al steels. These changes converted original CaO-SiO2-based flux into CaO-SiO2-Al2O3-based flux, promoting the crystallization and deteriorating the mold lubrication. Therefore, study on the solidification and crystallization behavior of CaO-SiO2-Al2O3-based mold flux, with the applicable fluidizers, is of importance. The effect of Na2O, predominantly used as the fluidizer in mold flux, on the solidification and crystallization behavior of CaO-SiO2-Al2O3-based mold flux needs to be investigated. In this study, a CaO-SiO2-Al2O3-based mold flux containing 6.5 wt pct Li2O was designed; the effect of Na2O on the solidification and crystallization behavior of these mold fluxes was investigated using the single hot thermocouple technique (SHTT) and the double hot thermocouple technique (DHTT). Moreover, the slag film obtained by a heat flux simulator was analyzed using X-ray diffraction (XRD). The results indicate that the solid fraction of molten slag (Fs) and the crystalline fraction of solid slag (Fc) in the mold slag films decrease with increasing Na2O content from 0 to 2 wt pct. However, Fs and Fc increased when the Na2O content increased from 2 to 6 wt pct. The critical cooling rates initially decreases and then increases with increasing Na2O content. The XRD analysis results show that LiAlO2 and CaF2 were the basic crystals for all the mold fluxes. Increasing the Na2O content both inhibits the Ca2Al2SiO7 formation and promotes the production of Ca12Al14O33, indicating that the mold lubrication deteriorated because of the high melting-point phase formation of Ca2Al2SiO7 in the CaO-SiO2-Al2O3-based mold flux containing 6.5 wt pct Li2O, without Na2O. The strong crystallization tendency also deteriorated the mold lubrication for the mold flux with a higher Na2O content. Therefore, the addition of Na2O was less than 2 wt pct in

  10. Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.

    PubMed

    Tamain, C; Arab-Chapelet, B; Rivenet, M; Legoff, X F; Loubert, G; Grandjean, S; Abraham, F

    2016-01-01

    Americium oxalate single crystals, Am2(C2O4)3(H2O)6·4H2O, were prepared by in situ oxalic acid generation by slow hydrolysis of the diester. Their structure was determined by single-crystal X-ray diffraction and was solved by the direct methods and Fourier difference techniques. The structure (space group P21/c, a = 11.184(4) Å, b = 9.489(4) Å, c = 10.234(4) Å, β = 114.308(8)°, Z = 2) consists of layers formed by six-membered rings of actinide metals connected through oxalate ions. The americium atoms are nine-coordinated by six oxygen atoms from three bidentate oxalate ligands and three water molecules. The distances within the coordination sphere as well as infrared and Raman spectra of several isostructural lanthanide (Ce(III), Pr(III), Nd(III), Sm(III), Gd(III)) and actinide (Pu(III), Am(III)) oxalates were compared to evaluate the similarities and the differences between the two series. PMID:26675037

  11. Molecular dynamics study of V 2O 5 glass

    NASA Astrophysics Data System (ADS)

    Seshasayee, M.; Muruganandam, K.

    1998-01-01

    Structure of V 2O 5 glass has been simulated by constant volume molecular dynamics technique. It was found that the glass is made up of a mixture of corner sharing VO 4, VO 5 and VO 6 polyhedra with VO 5 dominating the matrix, having a 75% share of the total. Angular distribution of OVO bond angle shows VO 4 to be a tetrahedron, VO 5 to be square pyramidal and VO 6 to be an octahedron. Extensive bridging amongst the VO n polyhedra in all directions is observed.

  12. H2O Isotopologues in Extreme OH/IR Stars

    NASA Astrophysics Data System (ADS)

    Justtanont, K.; Barlow, M. J.; Blommaert, J. A. D. L.; Decin, L.; Kerschbaum, F.; Matsuura, M.; Olofsson, H.; Swinyard, B.; Teyssier, D.; Waters, L. B. F. M.; Yates, J.

    2015-08-01

    Using Herschel Space Observatory, we observed isotopologues of H2O in extreme OH/IR stars. We detected strong H216O and H217O while the H218O lines are missing, contrary to the overall galactic oxygen abundance in the interstellar medium and the Sun, where 18O is more abundant than 17O. Theoretical stellar evolution suggests that 18O is being destroyed during the hot-bottom burning. This implies that these OH/IR stars come from a population of intermediate-mass stars which have an initial mass ≥ 5 M⊙.

  13. Advanced H2/O2 space engine parametrics

    NASA Technical Reports Server (NTRS)

    Schneider, J. A.

    1989-01-01

    Engine cycle analyses conducted on a 3000-lbf component testing model of an H2/O2-fueled advanced orbit-transfer vehicle engine employing a dual-expander cycle have yielded pressure and temperature trend predictions. On the basis of the results obtained, the dual-expander cycle is projected to be scalable to thrust levels of as much as 50,000 lbf, with chamber pressures of 2000 psi. The high chamber pressure, in conjunction with the use of a gas-gas injector element, facilitates 10:1-range continuously variable throttling. The preferred thrust level for supporting mission studies would be of the order of 20,000 lbf.

  14. Photodissociation of N2O: excitation of 1A" states.

    PubMed

    Schinke, Reinhard; Schmidt, Johan A

    2012-11-26

    We investigate the contributions of the lowest two (1)A" states in the UV photodissociation of N(2)O employing three-dimensional potential energy surfaces and transition dipole moment functions. Because the transition dipole moments are much smaller than for the 2 (1)A' state, we conclude that excitation of the (1)A" states has a marginal effect. The dense vibrational spectrum of the quasi-bound 2(1)A" state possibly explains some of the tiny, noise-like structures of the measured absorption spectrum. PMID:22536943

  15. Large magnetoelectric coupling in Co4Nb2O9

    PubMed Central

    Fang, Y.; Song, Y. Q.; Zhou, W. P.; Zhao, R.; Tang, R. J.; Yang, H.; Lv, L. Y.; Yang, S. G.; Wang, D. H.; Du, Y. W.

    2014-01-01

    Magnetoelectric materials which simultaneously exhibit electric polarization and magnetism have attracted more and more attention due to their novel physical properties and promising applications for next-generation devices. Exploring new materials with outstanding magnetoelectric performance, especially the manipulation of magnetization by electric field, is of great importance. Here, we demonstrate the cross-coupling between magnetic and electric orders in polycrystalline Co4Nb2O9, in which not only magnetic-field-induced electric polarization but also electric field control of magnetism is observed. These results reveal rich physical phenomenon and potential applications in this compound. PMID:24463631

  16. INTERSTELLAR H{sub 2}O MASERS FROM J SHOCKS

    SciTech Connect

    Hollenbach, David; Elitzur, Moshe; McKee, Christopher F.

    2013-08-10

    We present a model in which the 22 GHz H{sub 2}O masers observed in star-forming regions occur behind shocks propagating in dense regions (preshock density n{sub 0} {approx} 10{sup 6}-10{sup 8} cm{sup -3}). We focus on high-velocity (v{sub s} {approx}> 30 km s{sup -1}) dissociative J shocks in which the heat of H{sub 2} re-formation maintains a large column of {approx}300-400 K gas; at these temperatures the chemistry drives a considerable fraction of the oxygen not in CO to form H{sub 2}O. The H{sub 2}O column densities, the hydrogen densities, and the warm temperatures produced by these shocks are sufficiently high to enable powerful maser action. The observed brightness temperatures (generally {approx} 10{sup 11}-10{sup 14} K) are the result of coherent velocity regions that have dimensions in the shock plane that are 10-100 times the shock thickness of {approx}10{sup 13} cm. The masers are therefore beamed toward the observer, who typically views the shock ''edge-on'', or perpendicular to the shock velocity; the brightest masers are then observed with the lowest line-of-sight velocities with respect to the ambient gas. We present numerical and analytic studies of the dependence of the maser inversion, the resultant brightness temperature, the maser spot size and shape, the isotropic luminosity, and the maser region magnetic field on the shock parameters and the coherence path length; the overall result is that in galactic H{sub 2}O 22 GHz masers, these observed parameters can be produced in J shocks with n{sub 0} {approx} 10{sup 6}-10{sup 8} cm{sup -3} and v{sub s} {approx} 30-200 km s{sup -1}. A number of key observables such as maser shape, brightness temperature, and global isotropic luminosity depend only on the particle flux into the shock, j = n{sub 0} v{sub s} , rather than on n{sub 0} and v{sub s} separately.

  17. Green upconversion in Y2O3:Yb nanopowder

    NASA Astrophysics Data System (ADS)

    Horvat, Darja; Lazar, Dušan; Možina, Janez; Križan, Janez; Diaci, Janez; Terzić, Mira

    2015-01-01

    Green emission lines, in addition to the blue and the red, were observed upon 980 nm excitation in yttrium oxide (Y2O3) nanopowder codoped with Yb and Tm, synthesized by the chemical combustion method. Upconversion emission studies suggest that the number and characteristics of the green lines are influenced by the annealing temperature as well as by the Yb/Tm concentration ratio, opening possibilities for new customized applications. The chromaticity properties of the upconversion spectra were quantified by the Commission Internationale de l'éclairage coordinate analysis.

  18. Hyperpolarizability dispersion measured for (CH3)2O.

    PubMed

    Couling, Vincent W; Shelton, David P

    2015-12-14

    The third-order nonlinear-optical susceptibility of dimethyl ether, (CH3)2O, has been measured in the gas phase over the wavelength range 488 nm < λ < 1064 nm using the technique of gas-phase electric-field-induced second-harmonic generation with periodic phase matching and with N2 as the reference gas. Measurements span a range of temperature, which allows for separation of the temperature-independent second hyperpolarizability term from the temperature-dependent first hyperpolarizability term. The dispersion curves of the isotropically averaged first and second hyperpolarizabilities (β and γ) are deduced. PMID:26671375

  19. Hyperpolarizability dispersion measured for (CH3)2O

    NASA Astrophysics Data System (ADS)

    Couling, Vincent W.; Shelton, David P.

    2015-12-01

    The third-order nonlinear-optical susceptibility of dimethyl ether, (CH3)2O, has been measured in the gas phase over the wavelength range 488 nm < λ < 1064 nm using the technique of gas-phase electric-field-induced second-harmonic generation with periodic phase matching and with N2 as the reference gas. Measurements span a range of temperature, which allows for separation of the temperature-independent second hyperpolarizability term from the temperature-dependent first hyperpolarizability term. The dispersion curves of the isotropically averaged first and second hyperpolarizabilities (β and γ) are deduced.

  20. The thermal stability of sideronatrite and its decomposition products in the system Na2O-Fe2O3-SO2-H2O

    NASA Astrophysics Data System (ADS)

    Ventruti, Gennaro; Scordari, Fernando; Della Ventura, Giancarlo; Bellatreccia, Fabio; Gualtieri, Alessandro F.; Lausi, Andrea

    2013-09-01

    The thermal stability of sideronatrite, ideally Na2Fe3+(SO4)2(OH)·3(H2O), and its decomposition products were investigated by combining thermogravimetric and differential thermal analysis, in situ high-temperature X-ray powder diffraction (HT-XRPD) and Fourier transform infrared spectroscopy (HT-FTIR). The data show that for increasing temperature there are four main dehydration/transformation steps in sideronatrite: (a) between 30 and 40 °C sideronatrite transforms into metasideronatrite after the loss of two water molecules; both XRD and FTIR suggest that this transformation occurs via minor adjustments in the building block. (b) between 120 and 300 °C metasideronatrite transforms into metasideronatrite II, a still poorly characterized phase with possible orthorhombic symmetry, consequently to the loss of an additional water molecule; X-ray diffraction data suggest that metasideronatrite disappears from the assemblage above 175 °C. (c) between 315 and 415 °C metasideronatrite II transforms into the anhydrous Na3Fe(SO4)3 compound. This step occurs via the loss of hydroxyl groups that involves the breakdown of the [Fe3+(SO4)2(OH)]{∞/2-} chains and the formation of an intermediate transient amorphous phase precursor of Na3Fe(SO4)3. (d) for T > 500 °C, the Na3Fe(SO4)3 compound is replaced by the Na-sulfate thenardite, Na2SO4, plus Fe-oxides, according to the Na3Fe3+(SO4)3 → 3/2 Na2(SO4) + 1/2 Fe2O3 + SOx reaction products. The Na-Fe sulfate disappears around 540 °C. For higher temperatures, the Na-sulfates decomposes and only hematite survives in the final product. The understanding of the thermal behavior of minerals such as sideronatrite and related sulfates is important both from an environmental point of view, due to the presence of these phases in evaporitic deposits, soils and sediments including extraterrestrial occurrences, and from the technological point of view, due to the use of these materials in many industrial applications.

  1. Preparation and characterization of oil-soluble In2O3 nanoparticles and In2O3-SnO2 nanocomposites and their calcined thin films

    NASA Astrophysics Data System (ADS)

    Wang, Li-ping; Xu, Xu-dong; Wang, Jia-xing

    2015-05-01

    Oil-soluble In2O3 nanoparticles and In2O3-SnO2 nanocomposites were prepared in oleylamine via decomposition of metal acetylacetonate precursors. Thin films of In2O3 and In2O3-SnO2 were obtained by spin-coating solutions of the oil-soluble In2O3 nanoparticles and In2O3-SnO2 nanocomposites onto substrates and then calcining them. Transmission electron microspectroscopy, scanning electron microspectroscopy, atomic force microspectroscopy, X-ray diffraction, ultraviolet-visible absorption, and photoluminescence spectroscopy were used to investigate the properties of the nanoparticles and thin films. The In2O3 nanoparticles were cubic-phased spheres with a diameter of ~8 nm; their spectra exhibited a broad emission peak centered at 348 nm. The In2O3-SnO2 nanocomposites were co-particles composed of smaller In2O3 particles and larger SnO2 particles; their spectra exhibited a broad emission peak at 355 nm. After the In2O3-SnO2 nanocomposites were calcined at 400°C, the obtained thin films were highly transparent and conductive, with a thickness of 30-40 nm; the surfaces of the thin films were smooth and crack-free.

  2. Indium-free, highly transparent, flexible Cu2O/Cu/Cu2O mesh electrodes for flexible touch screen panels

    PubMed Central

    Kim, Dong-Ju; Kim, Hyo-Joong; Seo, Ki-Won; Kim, Ki-Hyun; Kim, Tae-Wong; Kim, Han-Ki

    2015-01-01

    We report on an indium-free and cost-effective Cu2O/Cu/Cu2O multilayer mesh electrode grown by room temperature roll-to-roll sputtering as a viable alternative to ITO electrodes for the cost-effective production of large-area flexible touch screen panels (TSPs). By using a low resistivity metallic Cu interlayer and a patterned mesh structure, we obtained Cu2O/Cu/Cu2O multilayer mesh electrodes with a low sheet resistance of 15.1 Ohm/square and high optical transmittance of 89% as well as good mechanical flexibility. Outer/inner bending test results showed that the Cu2O/Cu/Cu2O mesh electrode had a mechanical flexibility superior to that of conventional ITO films. Using the diamond-patterned Cu2O/Cu/Cu2O multilayer mesh electrodes, we successfully demonstrated TSPS of the flexible film-film type and rigid glass-film-film type TSPs. The TSPs with Cu2O/Cu/Cu2O mesh electrode were used to perform zoom in/out functions and multi-touch writing, indicating that these electrodes are promising cost-efficient transparent electrodes to substitute for conventional ITO electrodes in large-area flexible TSPs. PMID:26582471

  3. Controlled direct growth of Al2O3-doped HfO2 films on graphene by H2O-based atomic layer deposition.

    PubMed

    Zheng, Li; Cheng, Xinhong; Yu, Yuehui; Xie, Yahong; Li, Xiaolong; Wang, Zhongjian

    2015-02-01

    Graphene has been drawing worldwide attention since its discovery in 2004. In order to realize graphene-based devices, thin, uniform-coverage and pinhole-free dielectric films with high permittivity on top of graphene are required. Here we report the direct growth of Al2O3-doped HfO2 films onto graphene by H2O-based atom layer deposition (ALD). Al2O3-onto-HfO2 stacks benefited the doping of Al2O3 into HfO2 matrices more than HfO2-onto-Al2O3 stacks did due to the micro-molecular property of Al2O3 and the high chemical activity of trimethylaluminum (TMA). Al2O3 acted as a network modifier, maintained the amorphous structure of the film even to 800 °C, and made the film smooth with a root mean square (RMS) roughness of 0.8 nm, comparable to the surface of pristine graphene. The capacitance and the relative permittivity of Al2O3-onto-HfO2 stacks were up to 1.18 μF cm(-2) and 12, respectively, indicating the high quality of Al2O3-doped HfO2 films on graphene. Moreover, the growth process of Al2O3-doped HfO2 films introduced no detective defects into graphene confirmed by Raman measurements. PMID:25519447

  4. Indium-free, highly transparent, flexible Cu2O/Cu/Cu2O mesh electrodes for flexible touch screen panels.

    PubMed

    Kim, Dong-Ju; Kim, Hyo-Joong; Seo, Ki-Won; Kim, Ki-Hyun; Kim, Tae-Wong; Kim, Han-Ki

    2015-01-01

    We report on an indium-free and cost-effective Cu2O/Cu/Cu2O multilayer mesh electrode grown by room temperature roll-to-roll sputtering as a viable alternative to ITO electrodes for the cost-effective production of large-area flexible touch screen panels (TSPs). By using a low resistivity metallic Cu interlayer and a patterned mesh structure, we obtained Cu2O/Cu/Cu2O multilayer mesh electrodes with a low sheet resistance of 15.1 Ohm/square and high optical transmittance of 89% as well as good mechanical flexibility. Outer/inner bending test results showed that the Cu2O/Cu/Cu2O mesh electrode had a mechanical flexibility superior to that of conventional ITO films. Using the diamond-patterned Cu2O/Cu/Cu2O multilayer mesh electrodes, we successfully demonstrated TSPS of the flexible film-film type and rigid glass-film-film type TSPs. The TSPs with Cu2O/Cu/Cu2O mesh electrode were used to perform zoom in/out functions and multi-touch writing, indicating that these electrodes are promising cost-efficient transparent electrodes to substitute for conventional ITO electrodes in large-area flexible TSPs. PMID:26582471

  5. First-principles study of electronic structures of graphene on Y2O3

    NASA Astrophysics Data System (ADS)

    Kaneko, Tomoaki; Ohno, Takahisa

    2016-06-01

    We investigate the structures, stability and electronic properties of graphene adsorbed on Y2O3(111) using first-principles calculations based on density functional theories. When the interface of Y2O3(111) is terminated by an Y-layer, graphene is chemisorbed on Y2O3, resulting in the strong modification of electronic band structures. When the Y2O3(111) surface is terminated with O atoms and extra O atoms, on the other hand, graphene is physisorbed on Y2O3(111). Therefore, an O-rich environment is preferable for the graphene and Y2O3 interface.

  6. N2O seasonal distributions and air-sea exchange in UK estuaries: Implications for the tropospheric N2O source from European coastal waters

    NASA Astrophysics Data System (ADS)

    Barnes, J.; Upstill-Goddard, R. C.

    2011-03-01

    We report measurements of dissolved nitrous oxide (N2O), dissolved inorganic nitrogen, and turbidity in surveys of six UK inner estuaries between February 2000 and October 2002: the Humber, Forth, Tamar, Tyne, Tees, and Tay. We also present dissolved N2O data for the Wash outer estuary from May 1995 and dissolved O2 data for the Forth estuary from June 2001. N2O was always supersaturated relative to air and was highest in the Humber (range 140-6500%) and generally higher at all sites during summer. In estuaries with well defined turbidity maximum zones (TMZs) at low salinity, N2O was maximal in the TMZ, coincident with high NH4+ and/or NO3-. Inspection of the broad relationships between N2O, NH4+, NO3-, NO2-, and O2 revealed a predominantly nitrification source for the N2O in the estuaries studied; denitrification-derived N2O was apparently unimportant and denitrification did not constitute a significant NO3- sink. In the anthropogenically impacted Tees estuary N2O (saturation 140-2000%) was attributed to high NH4+ in sewage and industrial effluent. N2O emissions were thus primarily a function of NH4+ derived from internal resuspension and/or ammonification, or external inputs and were independent of river-borne NO3-. We reevaluated total UK and European estuarine N2O emissions using these and published data, based on an aerially weighted approach that separately identified inner and outer estuaries, and a downward revision of the total European estuarine area used in a recent synthesis. Our revised estimates, ˜1.9 ± 1.2 × 109 g N2O yr-1 for the UK and 6.8 ± 13.2 × 109 g N2O yr-1 for Europe (including UK) are dominated by large (area ˜200-500 km2) anthropogenically impacted macrotidal inner estuaries. By contrast large pristine macrotidal systems, small inner estuaries, and large outer estuaries appear to be comparatively minor N2O sources. The UK estuarine N2O source is <2% of the UK N2O budget. Our revised European estuarine N2O emission is around 2 orders

  7. Molecular complex morpholine-CO 2-H 2O

    NASA Astrophysics Data System (ADS)

    Jiang, Huiming; Zhang, Shufen; Xu, Yingmei

    2009-02-01

    Morpholine absorbs CO 2 and H 2O in air to form a molecular complex: morpholinium-1-morpholinecarboxylate-H 2O. The structure of the complex was characterized by X-ray single crystal diffraction, 1H NMR and FT-IR. The crystal structure was determined to be triclinic, space group P1¯ with a = 6.494(2) Å, b = 8.098(4) Å, c = 13.533(4) Å, α = 96.99(3)°, β = 102.57(2)°, γ = 104.15(3)°, Z = 2. The complex is stabilized via three hydrogen bonds between the three components, N…O electrostatic attraction and O…O interaction (electron transfer). Due to electron transfer of the carbamate ion, the oxygen atom in water molecule is strongly negatively charged and the O sbnd H bond is considerably shorter than that of free water molecules. The formation of the molecular complex is a reversible process and will decompose upon heating. The mechanism of formation and stabilization is further investigated herein.

  8. Al2O3 Scale Development on Iron Aluminides

    SciTech Connect

    Zhang, Xiao-Feng; Thaidigsmann, Katja; Ager, Joel; Hou, Peggy Y.

    2005-11-10

    The structure and phase of the Al{sub 2}O{sub 3} scale that forms on an Fe{sub 3}Al-based alloy (Fe-28Al-5Cr) (at %) was investigated by transmission electron microscopy (TEM) and photoluminescence spectroscopy (PL). Oxidation was performed at 900 C and 1000 C for up to 190 min. TEM revealed that single-layer scales were formed after short oxidation times. Electron diffraction was used to show that the scales are composed of nanoscale crystallites of the {theta}, {gamma}, and {alpha} phases of alumina. Band-like structure was observed extending along three 120{sup o}-separated directions within the surface plane. Textured {theta} and {gamma} grains were the main components of the bands, while mixed {alpha} and transient phases were found between the bands. Extended oxidation produced a double-layered scale structure, with a continuous {alpha} layer at the scale/alloy interface, and a {gamma}/{theta} layer at the gas surface. The mechanism for the formation of Al{sub 2}O{sub 3} scales on iron aluminide alloys is discussed and compared to that for nickel aluminide alloys.

  9. Fe2O3 nanoparticles for airborne organophosphate detection

    NASA Astrophysics Data System (ADS)

    Phillips, Joshua; Soliz, Jennifer; Hauser, Adam

    Dire need for early detection of organophosphates (OP) exists in both civilian (pesticide/herbicide buildup) and military (G/V nerve agents) spheres. Nanoparticle materials are excellent candidates for the detection and/or decontamination of hazardous materials, owing to their large surface to volume ratios and tailored surface functionality. Within this category, metal oxides include structures that are stable with the range of normal environmental conditions (temperature, humidity), but have strong, specific reaction mechanisms (hydrolysis, oxidation, catalysis, stoichiometric reaction) with toxic compounds. In this talk, we will present on the suitability of Fe2O3 nanoparticles as airborne organophosphate detectors. 23 nm particles were exposed to a series of organophosphate compounds (dimethyl methylphosphonate, dimethyl chlorophosphonate, diisopropyl methylphosphonate), and studied by x-ray magnetic circular dichroism and x-ray absorption spectroscopy to confirm the stoichiometric Fe2O3 to FeO mechanism and determine magnetic sensor feasibility. AC Impedance Spectroscopy shows both high sensitivity and selectivity via frequency dependence in both impedance and resistivity, suggesting some feasibility for impedimetric devices. We acknowledge funding under Army Research Office STIR Award #W911F-15-1-0104. J.R.S. acknowledges funding from the Defense Threat Reduction Agency under Projects BA13PHM210 and BA07PRO104. J.R.S. also acknowledges funding under a NRC fellowship.

  10. Crystal Structure of Te 2O 3F 2

    NASA Astrophysics Data System (ADS)

    Ider, A.; Laval, J. P.; Frit, B.; Carré, J.; Bastide, J. P.

    1996-04-01

    Te2O3F2crystallizes with the triclinic symmetry (space groupP-1) and the unit cell parametersa= 515.3(1) pm,b= 625.7(1) pm,c= 688.8(1) pm, α = 98.71(1)°, β = 110.31(1)°, γ = 92.72(1)°,Z= 2. Its structure was solved and refined toRvaluesR1= 0.024 and wR2= 0.059 on the basis of 699 independent reflections recorded on a single crystal with an automatic four-circle diffractometer. The two Te atoms are, respectively, fourfold and fivefold coordinated and their lone pairEis stereochemically active. The bond valence calculation shows a perfect O/F order. The Te(1)O3FEand Te(2)O4FEpolyhedra form, by sharing O-O edges, bipolyhedral units with a very short Te-Te distance (319 pm). These units, by sharing corners, constitute independent sheets parallel tox0y. All the F atoms are nonbridging and orientated, together with the lone pairsE, toward the interlayer space. The structural relationships with the α-TeO2structure have been evidenced and analyzed.

  11. Au-Cu2O core-shell nanowire photovoltaics

    NASA Astrophysics Data System (ADS)

    Oener, S. Z.; Mann, S. A.; Sciacca, B.; Sfiligoj, C.; Hoang, J.; Garnett, E. C.

    2015-01-01

    Semiconductor nanowires are among the most promising candidates for next generation photovoltaics. This is due to their outstanding optical and electrical properties which provide large optical cross sections while simultaneously decoupling the photon absorption and charge carrier extraction length scales. These effects relax the requirements for both the minority carrier diffusion length and the amount of semiconductor needed. Metal-semiconductor core-shell nanowires have previously been predicted to show even better optical absorption than solid semiconductor nanowires and offer the additional advantage of a local metal core contact. Here, we fabricate and analyze such a geometry using a single Au-Cu2O core-shell nanowire photovoltaic cell as a model system. Spatially resolved photocurrent maps reveal that although the minority carrier diffusion length in the Cu2O shell is less than 1 μm, the radial contact geometry with the incorporated metal electrode still allows for photogenerated carrier collection along an entire nanowire. Current-voltage measurements yield an open-circuit voltage of 600 mV under laser illumination and a dark diode turn-on voltage of 1 V. This study suggests the metal-semiconductor core-shell nanowire concept could be extended to low-cost, large-scale photovoltaic devices, utilizing for example, metal nanowire electrode grids coated with epitaxially grown semiconductor shells.

  12. Mesostructured forms of gamma-Al(2)O(3).

    PubMed

    Zhang, Zhaorong; Hicks, Randall W; Pauly, Thomas R; Pinnavaia, Thomas J

    2002-02-27

    gamma-Al2O3 is one of the most extensively utilized metal oxides in heterogeneous catalysis. Conventional forms of this oxide typically exhibit a surface area and pore volume less than 250 m2/g and 0.5 cm3/g, respectively. Previous efforts to prepare mesostructured forms of alumina resulted only in structurally unstable derivatives with amorphous framework walls. The present work reports mesostructured aluminas with walls made of gamma-Al2O3, denoted MSU-gamma. These materials are structurally stable and provide surface areas and pore volumes up to 370 m2/g and 1.5 cm3/g, respectively. The key to obtaining these structures is the formation of a mesostructured surfactant/boehmite precursor, denoted MSU-S/B, assembled through the hydrolysis of an aluminum cation, oligomer, or molecule in the presence of a nonionic surfactant. Mesostructured, gamma-aluminas offer the possibility of improving the catalytic efficiency of many heterogeneous catalytic processes, such as petroleum refining, petrochemical processing, and automobile exhaust control. PMID:11853430

  13. The source of stratospheric NO and N2O

    NASA Technical Reports Server (NTRS)

    Slanger, T. G.

    1984-01-01

    The photodissociation of O3 was investigated as a possible sources of N2O production in the stratosphere. Photolysis was conducted at 1576 A to generate the excited O2 states that react with N2 to form N2O. At this wavelength, there is a quantum yield of two for prompt production of oygen atoms, which is a consequence of the existence of two photodissociative channels giving comparable yields. One of these channels gives O(D1) and O2(b1sigma(+)subg), with a quantum yield of 0.6, whereas the other results in fragmentation of the O3, with production of three ground state oxygen atoms. The O2(b) is generated with vibrational excitation, and there are comparable populations in levels O to 3. These observations are the first to show O2(b) production from any photodissociative process, and were made under conditions in which the kinetics of vibrationally excited O2(b) can be studied. It appears that O3 photodissociation at 1576 A is not a good system for generating the higher electronic states of O2; it is likely that better results will be obtained at 1930 A.

  14. Specific heat capacity of nanoporous Al2O3

    NASA Astrophysics Data System (ADS)

    Huang, Cong-Liang; Feng, Yan-Hui; Zhang, Xin-Xin; Li, Jing; Wang, Ge

    2013-09-01

    Based on Lindemann's criterion, a specific heat capacity model for nanoporous material was proposed by defining the surface-atom layer, to take the surface atoms and the volume atoms separately into account. The height of the surface-atom layer was determined from the experiment, and results show that only the first layer atoms on the surface should be separately considered for nanoporous Al2O3. The shape factor of the pore was also introduced in the model with values between 2 (for cylindrical pore) and 3 (for spherical pore) to characterize the morphology of the pore. It turns out experimentally that the specific heat capacity of the analyzed nanoporous Al2O3 is much larger than that of the bulk, which can be interpreted as due to the fact that the surface atom plays a more important role than the volume one. And the smaller the radius and/or the larger the porosity, which lead to a larger surface-volume ratio, the larger the specific heat capacity becomes. The nanoporous material could be a better heat storage medium than the corresponding bulk with a much lighter weight, smaller volume but higher heat storage capacity.

  15. Quasiparticle bands and spectra of Ga2O3 polymorphs

    NASA Astrophysics Data System (ADS)

    Furthmüller, J.; Bechstedt, F.

    2016-03-01

    Within the framework of density functional theory and Hedin's G W approximation for single-particle excitations, we present quasiparticle band structures and densities of states for two gallium oxide polymorphs: rhombohedral α -Ga2O3 and monoclinic β -Ga2O3 . The gap problem is attacked. In addition, their electron effective mass tensors are given. Solving the Bethe-Salpeter equation we also calculate excitonic optical spectra of the two polymorphs. The treatment of excitonic effects allows for a trustable prediction of optical properties from the band gap to the ultraviolet region. In addition, for few other polymorphs we also discuss the frequency-dependent dielectric tensor within the independent-particle approximation (random phase approximation) and densities of states on density functional level. We demonstrate that apart from subtle details, the overall densities of states and optical spectra, in particular the isotropically averaged spectra, are rather similar for all polymorphs, while the electronic dielectric constants vary with the structure. For all polymorphs, complete sets of elastic constants are given.

  16. Determination of the Evaporation Coefficient of D2O

    SciTech Connect

    Drisdell, Walter S.; Cappa, Christopher D.; Smith, Jared D.; Saykally, Richard J.; Cohen, Ronald C.

    2008-03-26

    The evaporation rate of D{sub 2}O has been determined by Raman thermometry of a droplet train (12-15 {micro}m diameter) injected into vacuum ({approx}10{sup -5} torr). The cooling rate measured as a function of time in vacuum was fit to a model that accounts for temperature gradients between the surface and the core of the droplets, yielding an evaporation coefficient ({gamma}{sub e}) of 0.57 {+-} 0.06. This is nearly identical to that found for H{sub 2}O (0.62 {+-} 0.09) using the same experimental method and model, and indicates the existence of a kinetic barrier to evaporation. The application of a recently developed transition state theory (TST) model suggests that the kinetic barrier is due to librational and hindered translational motions at the liquid surface, and that the lack of an isotope effect is due to competing energetic and entropic factors. The implications of these results for cloud and aerosol particles in the atmosphere are discussed.

  17. Photodissociation of N{sub 2}O: Energy partitioning

    SciTech Connect

    Schmidt, J. A.; Johnson, M. S.; Lorenz, U.; McBane, G. C.; Schinke, R.

    2011-07-14

    The energy partitioning in the UV photodissociation of N{sub 2}O is investigated by means of quantum mechanical wave packet and classical trajectory calculations using recently calculated potential energy surfaces. Vibrational excitation of N{sub 2} is weak at the onset of the absorption spectrum, but becomes stronger with increasing photon energy. Since the NNO equilibrium angles in the ground and the excited state differ by about 70 degree sign , the molecule experiences an extraordinarily large torque during fragmentation producing N{sub 2} in very high rotational states. The vibrational and rotational distributions obtained from the quantum mechanical and the classical calculations agree remarkably well. The shape of the rotational distributions is semi-quantitatively explained by a two-dimensional version of the reflection principle. The calculated rotational distribution for excitation with {lambda}= 204 nm and the translational energy distribution for 193 nm agree well with experimental results, except for the tails of the experimental distributions corresponding to excitation of the highest rotational states. Inclusion of nonadiabatic transitions from the excited to the ground electronic state at relatively large N{sub 2}-O separations, studied by trajectory surface hopping, improves the agreement at high j.

  18. Al2O3-based nanofluids: a review

    PubMed Central

    2011-01-01

    Ultrahigh performance cooling is one of the important needs of many industries. However, low thermal conductivity is a primary limitation in developing energy-efficient heat transfer fluids that are required for cooling purposes. Nanofluids are engineered by suspending nanoparticles with average sizes below 100 nm in heat transfer fluids such as water, oil, diesel, ethylene glycol, etc. Innovative heat transfer fluids are produced by suspending metallic or nonmetallic nanometer-sized solid particles. Experiments have shown that nanofluids have substantial higher thermal conductivities compared to the base fluids. These suspended nanoparticles can change the transport and thermal properties of the base fluid. As can be seen from the literature, extensive research has been carried out in alumina-water and CuO-water systems besides few reports in Cu-water-, TiO2-, zirconia-, diamond-, SiC-, Fe3O4-, Ag-, Au-, and CNT-based systems. The aim of this review is to summarize recent developments in research on the stability of nanofluids, enhancement of thermal conductivities, viscosity, and heat transfer characteristics of alumina (Al2O3)-based nanofluids. The Al2O3 nanoparticles varied in the range of 13 to 302 nm to prepare nanofluids, and the observed enhancement in the thermal conductivity is 2% to 36%. PMID:21762528

  19. Metamagnetic Nematic Phase of Sr3Ru2O7

    NASA Astrophysics Data System (ADS)

    MacKenzie, Andrew

    2008-03-01

    In this talk I will review our group's recent observations that a quantum phase with pronounced electrical transport anisotropies forms in the vicinity of a metamagnetic quantum critical point in Sr3Ru2O7. The behaviour, which is strongly dependent on disorder and is only seen in the highest purity crystals, has phenomenological similarities with prior observations on two-dimensional electron gases in semiconductor devices [1,2]. Its appearance in bulk in Sr3Ru2O7 has allowed us to perform a number of thermodynamic measurements, and also offers the promise of study using modern surface-based spectroscopies such as angle resolved photoemission and spectroscopic imaging scanning tunneling microscopy. References [1] For example M.P. Lilly et al., Phys. Rev. Lett. 82, 394 (1999); ibid 83, 824 (1999) [2] W. Pan et al., Phys. Rev. Lett. 83, 820 (1999). Collaborators: S.A. Grigera^1, R.A. Borzi^1,2, A. Rost^1, J.F. Mercure^1, J. Farrell^1, R.S. Perry^3, A.G. Green^1, M. Allan^1, M. Wang^4, J. Lee^1, F. Baumberger^1, S.J.S Lister^1, S.L. Lee^1, J.C.S. Davis^1,4, Z.X. Shen^5, Y. Maeno^6. ^1 University of St Andrews, Scotland ^2 INFTA, La Plata, Argentina ^3 University of Edinburgh, Scotland ^4 Cornell University, USA ^5 Stanford University, USA ^6 Kyoto University, Japan

  20. TransCom N2O model inter-comparison - Part 2: Atmospheric inversion estimates of N2O emissions

    NASA Astrophysics Data System (ADS)

    Thompson, R. L.; Ishijima, K.; Saikawa, E.; Corazza, M.; Karstens, U.; Patra, P. K.; Bergamaschi, P.; Chevallier, F.; Dlugokencky, E.; Prinn, R. G.; Weiss, R. F.; O'Doherty, S.; Fraser, P. J.; Steele, L. P.; Krummel, P. B.; Vermeulen, A.; Tohjima, Y.; Jordan, A.; Haszpra, L.; Steinbacher, M.; Van der Laan, S.; Aalto, T.; Meinhardt, F.; Popa, M. E.; Moncrieff, J.; Bousquet, P.

    2014-06-01

    This study examines N2O emission estimates from five different atmospheric inversion frameworks based on chemistry transport models (CTMs). The five frameworks differ in the choice of CTM, meteorological data, prior uncertainties and inversion method but use the same prior emissions and observation data set. The posterior modelled atmospheric N2O mole fractions are compared to observations to assess the performance of the inversions and to help diagnose problems in the modelled transport. Additionally, the mean emissions for 2006 to 2008 are compared in terms of the spatial distribution and seasonality. Overall, there is a good agreement among the inversions for the mean global total emission, which ranges from 16.1 to 18.7 TgN yr-1 and is consistent with previous estimates. Ocean emissions represent between 31 and 38% of the global total compared to widely varying previous estimates of 24 to 38%. Emissions from the northern mid- to high latitudes are likely to be more important, with a consistent shift in emissions from the tropics and subtropics to the mid- to high latitudes in the Northern Hemisphere; the emission ratio for 0-30° N to 30-90° N ranges from 1.5 to 1.9 compared with 2.9 to 3.0 in previous estimates. The largest discrepancies across inversions are seen for the regions of South and East Asia and for tropical and South America owing to the poor observational constraint for these areas and to considerable differences in the modelled transport, especially inter-hemispheric exchange rates and tropical convective mixing. Estimates of the seasonal cycle in N2O emissions are also sensitive to errors in modelled stratosphere-to-troposphere transport in the tropics and southern extratropics. Overall, the results show a convergence in the global and regional emissions compared to previous independent studies.

  1. Thermal equation of state of CaFe 2O 4-type MgAl 2O 4

    NASA Astrophysics Data System (ADS)

    Sueda, Yuichiro; Irifune, Tetsuo; Sanehira, Takeshi; Yagi, Takehiko; Nishiyama, Norimasa; Kikegawa, Takumi; Funakoshi, Ken-ichi

    2009-05-01

    In situ X-ray diffraction measurements of CaFe 2O 4-type MgAl 2O 4 have been conducted at pressures up to 42 GPa and temperatures to 2400 K using Kawai-type multianvil apparatus with sintered diamond anvils. Additional measurements have also been conducted at pressures to 12 GPa using diamond anvil cell with helium as a pressure medium at room temperature, and at temperatures to 836 K at the ambient pressure using a high-temperature X-ray diffractometer. The analysis of room-temperature data yielded V0 = 240.1(2) Å 3, K0 = 205(6) GPa, and K0=4.1(3). A fit of the present data to high-temperature Birch-Murnaghan equation of state (EOS) yielded (∂ K0/∂ T) P = -0.030(2) GPa/K and α0 = a0 + b0T with values of a0 = 1.96(13) × 10 -5 K -1 and b0 = 1.64(24) × 10 -8 K -2. The present data set was also fitted to Mie-Grüneisen-Debye (MGD) EOS and we obtained γ0 = 1.73(7), q = 2.03(37), and θ0 = 1546(104) K. Density changes of MORB have been estimated using the newly obtained thermoelastic parameters, assuming that the Al-rich phase in this composition possesses the CaFe 2O 4-type structure under the lower mantle P, T conditions. The calculated densities along geotherms for the normal mantle and subducting cold slabs are both significantly higher than those of typical seismological models, confirming the conclusion of some recent results on MORB by laser-heated diamond anvil cell experiments.

  2. Competition between H2O and (H2O)2 reactions with CH2OO/CH3CHOO.

    PubMed

    Lin, Liang-Chun; Chang, Hung-Tzu; Chang, Chien-Hsun; Chao, Wen; Smith, Mica C; Chang, Chun-Hung; Jr-Min Lin, Jim; Takahashi, Kaito

    2016-02-14

    In this study, we performed ab initio calculations and obtained the bimolecular rate coefficients for the CH2OO/CH3CHOO reactions with H2O/(H2O)2. The energies were calculated with QCISD(T)/CBS//B3LYP/6-311+G(2d,2p) and the partition functions were estimated with anharmonic vibrational corrections by using the second order perturbation theory. Furthermore, we directly measured the rate of the CH2OO reaction with water vapor at high temperatures (348 and 358 K) to reveal the contribution of the water monomer in the CH2OO decay kinetics. We found that the theoretical rate coefficients reproduce the experimental results of CH2OO for a wide range of temperatures. For anti- (syn-) CH3CHOO, we obtained theoretical rate coefficients of 1.60 × 10(-11) (2.56 × 10(-14)) and 3.40 × 10(-14) (1.98 × 10(-19)) cm(3) s(-1) for water dimer and monomer reactions at room temperature. From the detailed analysis of the quantum chemistry and approximations for the thermochemistry calculations, we conclude that our calculated values would be within a factor of 3 of the correct values. Furthermore, at [H2O] = 1 × 10(17) to 5 × 10(17) cm(-3), we estimate that the effective first-order rate coefficients for CH2OO, anti- and syn-CH3CHOO reactions with water vapor will be ∼10(3), ∼10(4), and ∼10(1) s(-1), respectively. Thereby, for Criegee intermediates with a hydrogen atom on the same side as the terminal oxygen atom, the reaction with water vapor will likely dominate the removal processes of these CIs in the atmosphere. PMID:26797528

  3. Identifying N2O formation and emissions from a full-scale partial nitritation reactor.

    PubMed

    Mampaey, Kris E; De Kreuk, Merle K; van Dongen, Udo G J M; van Loosdrecht, Mark C M; Volcke, Eveline I P

    2016-01-01

    In this study, N2O formation and emissions from a full-scale partial nitritation (SHARON) reactor were identified through a three-weeks monitoring campaign during which the off-gas was analysed for N2O, O2, CO2 and NO. The overall N2O emission was 3.7% of the incoming ammonium load. By fitting the N2O emission to a theoretical gas stripping profile, the N2O emissions could be assigned to aerobically formed N2O and N2O formed under anoxic conditions. This was further substantiated by liquid N2O measurements. Under standard operation, 70% of the N2O emission was attributed to anoxic N2O formation. Dedicated experiments revealed that low dissolved oxygen concentrations (<1.0 gO2·m(-3)) and longer anoxic periods resulted in an increased N2O emission. Minimising or avoiding anoxic conditions has the highest effect in lowering the N2O emissions. As an additional result, the use of the off-gas N2O concentration measurements to monitor the gas-liquid mass transfer rate coefficient (kLa) during dynamic reactor operation was demonstrated. PMID:26558709

  4. The orientational relationship between monoclinic β-Ga2O3 and cubic NiO

    NASA Astrophysics Data System (ADS)

    Nakagomi, Shinji; Kubo, Shohei; Kokubun, Yoshihiro

    2016-07-01

    The orientational relationship between β-Ga2O3 and NiO was studied by X-ray diffraction measurements and cross-sectional high resolution transmission electron microscopy. A β-Ga2O3 thin film was formed on a (100) NiO layer on a (100) MgO substrate by gallium evaporation in an oxygen plasma. It was found that the resulting β-Ga2O3 had a four-fold domain structure satisfying both (100) β-Ga2O3 ‖ (100) NiO and (010) β-Ga2O3 ‖ {011} NiO. A γ-Ga2O3 layer was observed at the interface between the β-Ga2O3 and the NiO. An NiO film was also formed on a (100) β-Ga2O3 single-crystal substrate by the sol-gel method. An epitaxial (100) NiO film was formed on a (100) β-Ga2O3 substrate, and satisfied (011) NiO ‖ (010) β-Ga2O3. The crystal orientations of β-Ga2O3 on (100) NiO and NiO on (100) β-Ga2O3 can be explained using atomic arrangement models of the (100) plane of NiO and the (100) plane of β-Ga2O3.

  5. Life and failure mechanism prediction of eco-friendly P2O5-SnO2-B2O3 glass frits

    NASA Astrophysics Data System (ADS)

    Choi, Hyoung-Seuk; Choi, Duck-Kyun

    2013-09-01

    Glass frits are used widely in the VFD, PDP, LCD, and OLED displays, solar cells, and automobiles. It is essential for glass frits to exhibit material properties such as low melting temperatures and coefficient of thermal expansion close to glass to prevent thermal shock and to lower the thermal stress. Glass frit containing 60%-85% of PbO lowers the melting temperature. However, PbO causes environmental pollution. In this study, we developed P2O5-SnO2-B2O3 glass frits and carried out life tests on these systems. In addition, life tests were also carried out on Pb-containing glass frits (VFD) for comparison to predict the life of the P2O5-SnO2-B2O3 systems. Subsequently, the failure mechanisms of VFD and Pb-free P2O5-SnO2-B2O3 glass frits were analyzed.

  6. Magnetic properties of CoFe2O4 and ZnFe2O4 nanoparticles synthesized by novel chemical route

    NASA Astrophysics Data System (ADS)

    Kharat, S. P.; Darvade, T. C.; Gaikwad, S. K.; Baraskar, B. G.; Kakade, S. G.; Kambale, R. C.; Kolekar, Y. D.

    2016-05-01

    CoFe2O4 and ZnFe2O4 nanoparticles were synthesized by modified and cost effective sol-gel autocombustion method. X-ray diffraction study confirms the spinel phase formation of face centered cubic lattice with space group Fd3m and without any impurity. Magnetic measurements demonstrate that the CoFe2O4 shows saturation magnetization of 2.73 µB/f.u. where as ZnFe2O4 shows paramagnetic behavior. Magnetic behavior of CoFe2O4 and ZnFe2O4 is confirmed from Mössbauer studies. Effect of sintering on structural, magnetic and cation occupancy of substituted cobalt ferrite is discussed in this paper.

  7. Ab initio investigation of phase stability of Y2Ti2O7 and Y2Zr2O7 under high pressure

    SciTech Connect

    Xiao, Haiyan Y.; Gao, Fei; Weber, William J.

    2009-12-31

    The phase stabilities of Y2Ti2O7 and Y2Zr2O7 under high pressure were investigated by ab initio methods. Pyrochlore-structured Y2Ti2O7 and defect-fluorite Y2Zr2O7 exhibit different responses to high pressure. Both the defect-fluorite and defect-cotunnite structures are energetically more stable at high pressure in Y2Ti2O7, but comparison with experimental results suggest that only the transformation to the defect-fluorite structure is kinetically favored. For Y2Zr2O7, the defect-fluorite phase should undergo a structural transformation to the defect-cotunnite state under high pressure.

  8. Hydrothermal synthesis and characterization of the lutetium borate-nitrate Lu2B2O5(NO3)2·2H2O

    NASA Astrophysics Data System (ADS)

    Ortner, Teresa S.; Wurst, Klaus; Hejny, Clivia; Huppertz, Hubert

    2016-01-01

    The lutetium diborate-dinitrate Lu2B2O5(NO3)2·2H2O was discovered through a hydrothermal synthesis from Lu(NO3)3·H2O and H3BO3. The compound crystallizes in the space group P 1 ̅ (no. 2) with the lattice parameters a=789.52(5), b=988.62(6), c=1460.33(8) pm, α=90.83(1), β=101.75(1), and γ=110.02(1)° (Z=4). Isolated [B2O5]4- units show coplanar alignment and the coordinating [NO3]- groups are stacked perpendicular to the borate plane. Thereby, a novel, open arrangement solely built up from diborate and nitrate groups at a 1:1 ratio is formed. Additionally, Lu2B2O5(NO3)2·2H2O is characterized by vibrational spectroscopy (IR/Raman).

  9. Numerical study of the structural and vibrational properties of amorphous Ta2O5 and TiO2-doped Ta2O5

    NASA Astrophysics Data System (ADS)

    Damart, T.; Coillet, E.; Tanguy, A.; Rodney, D.

    2016-05-01

    Using classical molecular dynamics simulations, we synthesized amorphous Ta2O5 and amorphous TiO2-doped Ta2O5. We show that Ta2O5 is composed primarily of six-folded Ta atoms forming octahedra that are either organized in chain-like structures or share edges or faces. When Ta2O5 is doped with TiO2, Ti atoms form equally five- and six-folded polyhedra that perturb but do not break the network structure of the glass. Performing a vibrational eigenmode analysis and projecting the eigenmodes on the rocking, stretching, and bending motions of the Ta-2O and Ta-3O bonds, we provide an atomic-scale analysis that substantiates the interpretations of Raman spectra of amorphous Ta2O5. This eigenmode analysis also reveals the key role played by Ti atoms in the 5 to 12 THz range.

  10. Photodissociation spectroscopy of Ca{sup +}(H{sub 2}O) and Ca{sup +}(D{sub 2}O)

    SciTech Connect

    Scurlock, C.T.; Reddic, E.; Duncan, M.A.

    1996-12-31

    Electronic spectra are observed for the mono-solvated metal cation complexes Ca{sup +}-H{sub 2}O and Ca{sup +}-D{sub 2}O using Resonance Enhanced Photodissociation Spectroscopy. The clusters are produced in a laser vaporization/supersonic expansion source and the mass-analyzed product ion is observed using a time-of-flight mass spectrometer. Both Ca{sup +} and CaOH{sup +} (or CaOD{sup +}) dissociation products are observed on sharp resonances. The observed features are assigned to the (2){sup 2}B{sub 2}{l_arrow}X{sup 2}A, and (2){sup 2}B{sub 1}{l_arrow}X{sup 1}A, transitions, with vibrational progressions in the Ca-OH, stretching mode. Spectroscopic constants are Ca{sup +}-H{sub 2}O: (2){sup 2}B{sub 2}{l_arrow}X{sup 2}A{sub 1} (T{sub 0}= 21,464 cm{sup -1}, {Delta}G{sub 1/2}=357.9 cm{sup -1}) and (2){sup 2}B{sub 2}{l_arrow}X{sup 2}A{sub 1} (T{sub 0}=22,273 cm{sup -1}, {Delta}G{sub 1/2}335.9 cm{sup -1}); and Ca{sup +}-D{sub 2}O: (2){sup 2}B{sub 2}{l_arrow}X{sup 2}A{sub 1} (T{sub 0}=21,447 cm{sup -1}, {Delta}G{sub {1/2}}=350.9 cm{sup -1}) and (2){sup 2}B{sub 2}{l_arrow}X{sup 2}A{sub 1} (T{sub 0}=22,261 cm{sup -1}, {Delta}G{sub {1/2}}=324.1 cm{sup -1}). These transitions are rotationally resolved about the a- principal axis, and confirm the structure of the complex to possess C{sub 2v} symmetry. In addition the Ca{sup +}-OH{sub 2} bond distance is determined to be 2.22 {Angstrom} and the H-O-H bond angle 106.8{degrees} in the ground state.

  11. Influence of operational key parameters on the photocatalytic decolorization of Rhodamine B dye using Fe2+/H2O2/Nb2O5/UV system.

    PubMed

    Hashemzadeh, Fatemeh; Rahimi, Rahmatollah; Gaffarinejad, Ali

    2014-04-01

    The present research deals with the development of a new heterogeneous photocatalysis and Fenton hybrid system for the removal of color from textile dyeing wastewater as Rhodamine B (RhB) solutions by using Fe(2+)/H2O2/Nb2O5 as a photocatalytic system. The application of this photocatalytic system for the decolorization of dye contaminants is not reported in the literature yet. Different parameters like dye concentration, Nb2O5/Fe(2+) catalyst amount, pH, and H2O2 concentration have been studied. The optimum conditions for the decolorization of the dye were initial concentration of 10 mg L(-1) of dye, pH 4, and Nb2O5/Fe(2+) catalyst concentration of 0.5 g L(-1)/50 mg L(-1). The optimum value of H2O2 concentration for the conditions used in this study was 700 mg L(-1). Moreover, the efficiency of the Nb2O5/photo-Fenton hybrid process in comparison to photo-Fenton alone and a dark Fenton process as a control experiment to decolorize the RhB solution has been investigated. The combination of photo-Fenton and Nb2O5 catalysts has been proved to be the most effective for the treatment of such type of wastewaters. The results revealed that the RhB dye was decolorized in a higher percent (78 %) by the Nb2O5/photo-Fenton hybrid process (Fe(2+)/H2O2/Nb2O5/UV) than by the photo-Fenton process alone (37 %) and dark Fenton process (14 %) after 120 min of treatment. Moreover, the Nb2O5 catalyst as a heterogeneous part of the photocatalytic system was demonstrated to have good stability and reusability. PMID:24374619

  12. Can the intramolecular distribution of 15N in N2O be used to source partition N2O emitted from soil

    NASA Astrophysics Data System (ADS)

    Decock, Charlotte; Six, Johan

    2014-05-01

    N2O is a potent greenhouse gas and plays an important role in the depletion of stratospheric ozone. Hence, many efforts are now geared towards quantifying and mitigating N2O emissions from soil in various ecosystems. This requires an in-depth understanding of the mechanisms and processes underlying N2O emissions, which has been methodologically challenging. Recently, it has been suggested that the intramolecular distribution of 15N in the N2O molecule (known as site preference or SP) can indicate which processes contribute to N2O fluxes. Here, we follow a framework of important validation steps to review the potential of SP to source partition N2O emitted from soils. In individual studies, significant effects of soil moisture content and soil type on SP values from soil-emitted N2O have been observed, supporting that SP could be a useful tool to source-partition N2O emitted from soil. While process-specific SP values based on pure culture studies have been used in isotope mixing and fractionation models to source partition N2O in environmental samples, effects of confounding factors such as unaccounted pathways, microbial community composition, process rate, and soil heterogeneity remain poorly quantified. This urges continued research to determine SP values for distinct N2O producing and consuming processes under controlled laboratory conditions for soils from a variety of ecosystems and environments. As mechanisms underlying N2O production and consumption are plentiful and complex, we recommend the creation of large isotope databases complemented with the development of more advanced models that take into account δ15N and δ18O of precursors, variability of overall isotope effects, and bulk δ15N, δ18O, and SP of N2O, as well as traditional proxies such as soil moisture content and C and N availability.

  13. 40 CFR 721.10018 - Calcium hydroxide oxide silicate (Ca6(OH)2O2(Si2O5)3).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Calcium hydroxide oxide silicate (Ca6... New Uses for Specific Chemical Substances § 721.10018 Calcium hydroxide oxide silicate (Ca6(OH)2O2... substance identified as calcium hydroxide oxide silicate (Ca6(OH)2O2(Si2O5)3) (PMN P-01-442; CAS No....

  14. Dependence of catalytic properties of Al/Fe2O3 thermites on morphology of Fe2O3 particles in combustion reactions

    NASA Astrophysics Data System (ADS)

    Zhao, Ningning; He, Cuicui; Liu, Jianbing; Gong, Hujun; An, Ting; Xu, Huixiang; Zhao, Fengqi; Hu, Rongzu; Ma, Haixia; Zhang, Jinzhong

    2014-11-01

    Three Fe2O3 particle samples with the same crystal structure but different morphologies were prepared by the hydrothermal method and then combined with Al nanoparticles to produce Al/Fe2O3 thermites using ultrasonic mixing. The properties of Fe2O3 and Al/Fe2O3 were studied using a combination of experimental techniques including scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). The influences of the three Al/Fe2O3 thermites on the combustion properties of the AP/HTPB (ammonium perchlorate/hydroxyl-terminated polybutadiene) composite propellant were investigated in comparison to those of Fe2O3. The results show that the Al/Fe2O3 thermites are better than Fe2O3 in enhancing the combustion performance of AP/HTPB. Furthermore, the surface area, which depends on size and mophology, of Fe2O3 particles was found to play a vital role in improving the burning rate of the thermites-containing propellant formulation, with the smallest particles with the largest surface-to-volume (S/V) ratio performing the best. The enhanced catalytic property of the granular-shape Fe2O3 and the corresponding thermite is attributed to the large specific surface area of Fe2O3. The different thermal behaviors of these three superthemites were supposed to be attributed to the surface site of Fe2O3 particles. This work provides a better understanding on the catalytic properties of thermites that are important for combustion applications.

  15. 40 CFR 721.10018 - Calcium hydroxide oxide silicate (Ca6(OH)2O2(Si2O5)3).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Calcium hydroxide oxide silicate (Ca6... New Uses for Specific Chemical Substances § 721.10018 Calcium hydroxide oxide silicate (Ca6(OH)2O2... substance identified as calcium hydroxide oxide silicate (Ca6(OH)2O2(Si2O5)3) (PMN P-01-442; CAS No....

  16. Formation Mechanism of CuAlO2 Prepared by Rapid Thermal Annealing of Al2O3/Cu2O/Sapphire Sandwich Structure

    NASA Astrophysics Data System (ADS)

    Shih, C. H.; Tseng, B. H.

    Single-phase CuAlO2 films were successfully prepared by thin-film reaction of an Al2O3/Cu2O/sapphire sandwich structure. We found that the processing parameters, such as heating rate, holding temperature and annealing ambient, were all crucial to form CuAlO2 without second phases. Thermal annealing in pure oxygen ambient with a lower temperature ramp rate might result in the formation of CuAl2O4 in addition to CuAlO2, since part of Cu2O was oxidized to form CuO and caused the change in reaction path, i.e. CuO + Al2O3 → CuAl2O4. Typical annealing conditions successful to prepare single-phase CuAlO2 would be to heat the sample with a temperature rampt rate higher than 7.3 °C/sec and hold the temperature at 1100 °C in air ambient. The formation mechanism of CuAlO2 has also been studied by interrupting the reaction after a short period of annealing. TEM observations showed that the top Al2O3 layer with amorphous structure reacted immediately with Cu2O to form CuAlO2 in the early stage and then the remaining Cu2O reacted with the sapphire substrate.

  17. Reconstructing the history of water ice formation from HDO/H2O and D2O/HDO ratios in protostellar cores

    NASA Astrophysics Data System (ADS)

    Furuya, K.; van Dishoeck, E. F.; Aikawa, Y.

    2016-02-01

    Recent interferometer observations have found that the D2O/HDO abundance ratio is higher than that of HDO/H2O by about one order of magnitude in the vicinity of low-mass protostar NGC 1333-IRAS 2A, where water ice has sublimated. Previous laboratory and theoretical studies show that the D2O/HDO ice ratio should be lower than the HDO/H2O ice ratio, if HDO and D2O ices are formed simultaneously with H2O ice. In this work, we propose that the observed feature, D2O/HDO > HDO/H2O, is a natural consequence of chemical evolution in the early cold stages of low-mass star formation as follows: 1) majority of oxygen is locked up in water ice and other molecules in molecular clouds, where water deuteration is not efficient; and 2) water ice formation continues with much reduced efficiency in cold prestellar/protostellar cores, where deuteration processes are highly enhanced as a result of the drop of the ortho-para ratio of H2, the weaker UV radiation field, etc. Using a simple analytical model and gas-ice astrochemical simulations, which traces the evolution from the formation of molecular clouds to protostellar cores, we show that the proposed scenario can quantitatively explain the observed HDO/H2O and D2O/HDO ratios. We also find that the majority of HDO and D2O ices are likely formed in cold prestellar/protostellar cores rather than in molecular clouds, where the majority of H2O ice is formed. This work demonstrates the power of the combination of the HDO/H2O and D2O/HDO ratios as a tool to reveal the past history of water ice formation in the early cold stages of star formation, and when the enrichment of deuterium in the bulk of water occurred. Further observations are needed to explore if the relation, D2O/HDO > HDO/H2O, is common in low-mass protostellar sources.

  18. Growth characteristics of corundum-structured α-(AlxGa1-x)2O3/Ga2O3 heterostructures on sapphire substrates

    NASA Astrophysics Data System (ADS)

    Kaneko, Kentaro; Suzuki, Kenta; Ito, Yoshito; Fujita, Shizuo

    2016-02-01

    We report improved growth conditions for corundum-structured α-(AlxGa1-x)2O3, followed by the growth characteristics of α-(AlxGa1-x)2O3/Ga2O3 heterostructures with the use of mist chemical vapor deposition (CVD) technology. Higher growth temperatures, 700-800 °C, were effective for better crystalline quality especially for higher Al composition x. Coherent growth of α-(AlxGa1-x)2O3 was achieved for x=0.03 and 0.11 with the film thickness of about 100 nm. The type-I band lineup was expected for the heterostructure.

  19. Effect of Nd2O3 Additive on Microstructure and Tribological Properties of Plasma-Sprayed NiCr-Cr2O3 Composite Coatings

    NASA Astrophysics Data System (ADS)

    Chen, Jie; An, Yulong; Zhao, Xiaoqin; Yan, Fengyuan; Zhou, Huidi; Chen, Jianmin

    2014-02-01

    Four types of NiCr-Cr2O3 composite coatings doped with different mass fraction of Nd2O3 were deposited by atmospheric plasma spraying. The microstructure and phase composition of as-sprayed coatings were analyzed by scanning electron microscope (SEM) and X-ray diffraction (XRD). Furthermore, their friction and wear behaviors at 20 and 600 °C under unlubricated condition were evaluated using CSM high temperature tribometer. The results showed that Nd2O3 could refine microstructure of NiCr-Cr2O3 composite coating and make Cr2O3 distribution more uniform in the coating, which leads to the increase of average microhardness. In addition, NiCr-Cr2O3 composite coatings doped with Nd2O3 had better wear resistance than that without Nd2O3 at experimental temperatures. Especially, the coating containing 8 wt.% Nd2O3 showed the best wear resistance at 20 and 600 °C, which was attributed to the refined microstructure and improved microhardness. At 20 °C, the wear mechanism of the coating was abrasive wear, brittle fracture and splat detachment. At 600 °C, the wear mechanism was adhesion wear and plastic deformation.

  20. Unraveling the Origin of Structural Disorder in High Temperature Transition Al2O3: Structure of θ-Al2O3

    SciTech Connect

    Kovarik, Libor; Bowden, Mark E.; Shi, Dachuan; Washton, Nancy M.; Anderson, Amity; Hu, Jian Z.; Lee, Jaekyoung; Szanyi, Janos; Kwak, Ja Hun; Peden, Charles HF

    2015-09-22

    The crystallography of transition Al2O3 has been extensively studied in the past due to the advantageous properties of the oxide in catalytic and a range of other technological applications. However, existing crystallographic models are insufficient to describe the structure of many important Al2O3 polymorphs due to their highly disordered nature. In this work, we investigate structure and disorder in high-temperature treated transition Al2O3, and provide a structural description for θ-Al2O3 by using a suite of complementary imaging, spectroscopy and quantum calculation techniques. Contrary to current understanding, our high-resolution imaging shows that θ-Al2O3 is a disordered composite phase of at least two different end members. By correlating imaging and spectroscopy results with DFT calculations, we propose a model that describes θ-Al2O3 as a disordered intergrowth of two crystallographic variants at the unit cell level. One variant is based on β-Ga2O3, and the other on a monoclinic phase that is closely-related to δ-Al2O3. The overall findings and interpretations afford new insight into the origin of poor crystallinity in transition Al2O3, and also provide new perspectives on structural complexity that can emerge from intergrowth of closely related structural polymorphs.

  1. Evaluation of Misfit Relaxation in α-Ga2O3 Epitaxial Growth on α-Al2O3 Substrate

    NASA Astrophysics Data System (ADS)

    Kaneko, Kentaro; Kawanowa, Hitoshi; Ito, Hiroshi; Fujita, Shizuo

    2012-02-01

    Corundum-structured α-Ga2O3 epitaxial thin films were grown on c-plane α-Al2O3 (sapphire) substrates by a mist chemical vapor deposition method. To reveal the defect structures, the α-Ga2O3 film was observed by high-resolution transmission electron microscopy (TEM). We found that the α-Ga2O3 thin film was in-plane compressive stressed from the α-Al2O3 substrate. Although misfit dislocations were periodically generated at the α-Ga2O3/α-Al2O3 interface owing to the large lattice mismatches between α-Ga2O3 and α-Al2O3, 3.54% (c-axis) and 4.81% (a-axis), most of the misfit dislocations did not thread through the layer. An extra-half plane was {bar 2110} consisting only of Ga. Screw dislocations were not confirmed, i.e., the density was under 107 cm-2. The threading dislocation density was 7 ×1010 cm-2.

  2. Phase Stability and Pressure Dependence of Defect Formation in Gd2Ti2O7 and Gd2Zr2O7 Pyrochlore

    SciTech Connect

    Zhang,F.; Wang, J.; Lian, J.; Lang, M.; Becker, U.; Ewing, R.

    2008-01-01

    We report dramatically different behaviors between isostructural Gd2Ti2O7 and Gd2Zr2O7 pyrochlore at pressures up to 44 GPa, in which the substitution of Ti for Zr significantly increases structural stability. Upon release of pressure, the Gd2Ti2O7 becomes amorphous. In contrast, the high-pressure phase of Gd2Zr2O7 transforms to a disordered defect-fluorite structure. First-principle calculations for both compositions revealed that the response of pyrochlore to high pressure is controlled by the intrinsic energetics of defect formation.

  3. Advanced treatment of oil recovery wastewater from polymer flooding by UV/H2O2/O3 and fine filtration.

    PubMed

    Guang-Meng, Ren; De-Zhi, Sun; Chunk, Jong Shik

    2006-01-01

    In order to purify oil recovery wastewater from polymer flooding (ORWPF) in tertiary oil recovery in oil fields, advanced treatment of UV/H2O2/O3 and fine filtration were investigated. The experimental results showed that polyacrylamide and oil remaining in ORWPF after the conventional treatment process could be effectively removed by UV/H2O2/O3 process. Fine filtration gave a high performance in eliminating suspended solids. The treated ORWPF can meet the quality requirement of the wastewater-bearing polymer injection in oilfield and be safely re-injected into oil reservoirs for oil recovery. PMID:20050544

  4. High-pressure X-ray diffraction and Raman spectroscopy of CaFe2O4-type β-CaCr2O4

    NASA Astrophysics Data System (ADS)

    Zhai, Shuangmeng; Yin, Yuan; Shieh, Sean R.; Shan, Shuangming; Xue, Weihong; Wang, Ching-Pao; Yang, Ke; Higo, Yuji

    2016-04-01

    In situ high-pressure synchrotron X-ray diffraction and Raman spectroscopic studies of orthorhombic CaFe2O4-type β-CaCr2O4 chromite were carried out up to 16.2 and 32.0 GPa at room temperature using multi-anvil apparatus and diamond anvil cell, respectively. No phase transition was observed in this study. Fitting a third-order Birch-Murnaghan equation of state to the P-V data yields a zero-pressure volume of V 0 = 286.8(1) Å3, an isothermal bulk modulus of K 0 = 183(5) GPa and the first pressure derivative of isothermal bulk modulus K 0' = 4.1(8). Analyses of axial compressibilities show anisotropic elasticity for β-CaCr2O4 since the a-axis is more compressible than the b- and c-axis. Based on the obtained and previous results, the compressibility of several CaFe2O4-type phases was compared. The high-pressure Raman spectra of β-CaCr2O4 were analyzed to determine the pressure dependences and mode Grüneisen parameters of Raman-active bands. The thermal Grüneisen parameter of β-CaCr2O4 is determined to be 0.93(2), which is smaller than those of CaFe2O4-type CaAl2O4 and MgAl2O4.

  5. Isotopic signature of N(2)O produced by marine ammonia-oxidizing archaea.

    PubMed

    Santoro, Alyson E; Buchwald, Carolyn; McIlvin, Matthew R; Casciotti, Karen L

    2011-09-01

    The ocean is an important global source of nitrous oxide (N(2)O), a greenhouse gas that contributes to stratospheric ozone destruction. Bacterial nitrification and denitrification are thought to be the primary sources of marine N(2)O, but the isotopic signatures of N(2)O produced by these processes are not consistent with the marine contribution to the global N(2)O budget. Based on enrichment cultures, we report that archaeal ammonia oxidation also produces N(2)O. Natural-abundance stable isotope measurements indicate that the produced N(2)O had bulk δ(15)N and δ(18)O values higher than observed for ammonia-oxidizing bacteria but similar to the δ(15)N and δ(18)O values attributed to the oceanic N(2)O source to the atmosphere. Our results suggest that ammonia-oxidizing archaea may be largely responsible for the oceanic N(2)O source. PMID:21798895

  6. Highly sensitive alcohol sensor based on a single Er-doped In2O3 nanoribbon

    NASA Astrophysics Data System (ADS)

    Qin, Zhaojun; Liu, Yingkai; Chen, Weiwu; Ai, Peng; Wu, Yuemei; Li, Shuanghui; Yu, Dapeng

    2016-02-01

    Pure In2O3 NBs and Er-In2O3 NBs have been successfully synthesized by carbon thermal reduction. The doping of Er leads the optimal temperature of the In2O3 to decrease. The response of the Er-In2O3 sensor to 100 ppm of alcohol is 4.8 at 220 °C, which is twice larger than that of the pure In2O3 sensor. It is also found that the doping of Er has increased the performance of the sensors. Moreover, Er-In2O3 sensor has a fast response (recovery) time to different concentration of alcohol at 220 °C. In addition, the mechanism of pure In2O3 sensor and Er-In2O3 sensor are discussed.

  7. Intermediate magnetization state and competing orders in Dy2Ti2O7 and Ho2Ti2O7

    PubMed Central

    Borzi, R. A.; Gómez Albarracín, F. A.; Rosales, H. D.; Rossini, G. L.; Steppke, A.; Prabhakaran, D.; Mackenzie, A. P.; Cabra, D. C.; Grigera, S. A.

    2016-01-01

    Among the frustrated magnetic materials, spin-ice stands out as a particularly interesting system. Residual entropy, freezing and glassiness, Kasteleyn transitions and fractionalization of excitations in three dimensions all stem from a simple classical Hamiltonian. But is the usual spin-ice Hamiltonian a correct description of the experimental systems? Here we address this issue by measuring magnetic susceptibility in the two most studied spin-ice compounds, Dy2Ti2O7 and Ho2Ti2O7, using a vector magnet. Using these results, and guided by a theoretical analysis of possible distortions to the pyrochlore lattice, we construct an effective Hamiltonian and explore it using Monte Carlo simulations. We show how this Hamiltonian reproduces the experimental results, including the formation of a phase of intermediate polarization, and gives important information about the possible ground state of real spin-ice systems. Our work suggests an unusual situation in which distortions might contribute to the preservation rather than relief of the effects of frustration. PMID:27558021

  8. Intermediate magnetization state and competing orders in Dy2Ti2O7 and Ho2Ti2O7.

    PubMed

    Borzi, R A; Gómez Albarracín, F A; Rosales, H D; Rossini, G L; Steppke, A; Prabhakaran, D; Mackenzie, A P; Cabra, D C; Grigera, S A

    2016-01-01

    Among the frustrated magnetic materials, spin-ice stands out as a particularly interesting system. Residual entropy, freezing and glassiness, Kasteleyn transitions and fractionalization of excitations in three dimensions all stem from a simple classical Hamiltonian. But is the usual spin-ice Hamiltonian a correct description of the experimental systems? Here we address this issue by measuring magnetic susceptibility in the two most studied spin-ice compounds, Dy2Ti2O7 and Ho2Ti2O7, using a vector magnet. Using these results, and guided by a theoretical analysis of possible distortions to the pyrochlore lattice, we construct an effective Hamiltonian and explore it using Monte Carlo simulations. We show how this Hamiltonian reproduces the experimental results, including the formation of a phase of intermediate polarization, and gives important information about the possible ground state of real spin-ice systems. Our work suggests an unusual situation in which distortions might contribute to the preservation rather than relief of the effects of frustration. PMID:27558021

  9. Correlation among electronic polarizability, optical basicity and interaction parameter of Bi 2O 3-B 2O 3 glasses

    NASA Astrophysics Data System (ADS)

    Zhao, Xinyu; Wang, Xiaoli; Lin, Hai; Wang, Zhiqiang

    2007-03-01

    For optical basicity and electronic polarizability, the previous studies basically concentrate on the wavelength range of the visible light region. However, heavy metal oxides glasses have a reputation of being good materials for infrared region. In this study, new data of the average electronic polarizability of the oxide ion α, optical basicity Λ and Yamashita-Kurosawa's interaction parameter A of Bi 2O 3-B 2O 3 glasses have been calculated in a wavelength range from 404.66 to 1083.03 nm. The present investigation suggests that both α and Λ increase gradually with increasing wave number, and A decreases with increasing wave number. Furthermore, close correlations are studied among α, Λ, A and refractive index n in this paper. Particularly, it has been found that a quantitative relationship between electronic polarizability and optical basicity is observed in a wavelength range from 404.66 to 1083.03 nm. Our present study extends over a wide range of α, Λ and A values.

  10. Antarctic ozone depletion chemistry - Reactions of N2O5 with H2O and HCl on ice surfaces

    NASA Technical Reports Server (NTRS)

    Tolbert, Margaret A.; Rossi, Michel J.; Golden, David M.

    1988-01-01

    In a study concerning Antarctic ozone depletion, reactions of dinitrogen pentoxide with water and hydrochloric acid were studied on ice surfaces in a Knudsen cell flow reactor. The N2O5 reacted on ice at 185 K to form condensed-phase nitric acid (HNO3). This reaction may provide a sink for odd nitrogen, NO(x), during the polar winter, a requirement in nearly all models of Antarctic ozone depletion. The reaction of N2O5 on HCl-ice surfaces at 185 K produced gaseous nitryl chloride (ClNO2) and condensed-phase HNO3 and proceeded until all of the HCl within the ice was depleted. The ClNO2 which did not react or condense on ice at 185 K, can be readily photolyzed in the Antarctic spring to form atomic chlorine for catalytic ozone destruction cycles. The other photolysis product, gaseous nitrogen dioxide may be important in the partitioning of NO(x) between gaseous and condensed phases in the Antarctic winter.

  11. H 2O in basalt and basaltic andesite glass inclusions from four subduction-related volcanoes

    NASA Astrophysics Data System (ADS)

    Sisson, T. W.; Layne, G. D.

    1993-06-01

    Total dissolved H 2O and major element abundances were measured in basalt and basaltic andesite glass inclusions in olivine phenocrysts from Quaternary eruptions of four subduction-related volcanoes to test the hypothesis that low-MgO high-alumina basalts contain high H 2O at depth [1] and to reveal any petrogenetically significant correlations between arc basalt compositions and H 2O contents. Total dissolved H 2O (combined molecular H 2O and OH groups) measured by ion microprobe in mafic glass inclusions from the 1974 eruption of Fuego, Guatemala, reaches 6.2 wt.%. Dissolved H 2O contents decrease in more evolved Fuego glasses. Correlations of H 2O with MgO, Na 2O, K 2O, S and Cl indicate that aqueous fluid exsolution during magma ascent forced crystallization and differentiation of residual liquids. Low-K 2O magnesian high-alumina basalt glass inclusions from the 3 ka eruption of Black Crater (Medicine Lake volcano, California) have low H 2O contents, near 0.2 wt.%, which are consistent with the MORB-like character of these and other primitive lavas of the Medicine Lake region. Basalt and basaltic andesite glass inclusions from Copco Cone and Goosenest volcano on the Cascade volcanic front north of Mt. Shasta have H 2O contents of up to 3.3 wt.%. The range of H 2O contents in Cascade mafic magmas is too large to have resulted solely from enrichment by crystallization and indicates the participation of an H 2O-rich component in magma generation or crustal-level modification. Whereas fluid-absent melting of amphibole-bearing peridotite can account for the H 2O in most mafic arc liquids, the very high H 2O/alkali ratios of the 1974 Fuego eruptives suggest that an aqueous fluid was involved in the generation of Fuego basalts.

  12. Production of N2O/+/ by reaction of metastable O2/+/ ions with N2

    NASA Technical Reports Server (NTRS)

    Ajello, J. M.; Rayermann, P.

    1975-01-01

    Photoionization mass spectrometry examination of the production of N2O(+) was undertaken to determine whether N2(+) or O2(+) ions are responsible for onset of N2O(+). It appears that the N2(+) ion does not contribute significantly to the production of N2O(+) in this experiment. Therefore, it is clear that excited O2(+) is responsible for the formation of N2O(+) near the appearance potential of these ions.

  13. Co-precipitation synthesis of Y2O2SO4:Eu3+ nanophosphor and comparison of photoluminescence properties with Y2O3:Eu3+ and Y2O2S:Eu3+ nanophosphors

    NASA Astrophysics Data System (ADS)

    Lian, Jingbao; Qin, Hua; Liang, Ping; Liu, Feng

    2015-10-01

    Eu3+ ions activated yttrium oxysulfate (Y2O2SO4:Eu3+) nanophosphor has been successfully synthesized by a co-precipitation method from commercially available Y(NO3)3·6H2O, Eu(NO3)3·6H2O, (NH4)2SO4 and NH3·H2O as the starting materials. Detailed characterizations of the synthetic products were obtained by differential thermal analysis, thermogravimetry and derivative thermogravimetry (DTA-TG-DTG), Fourier transform infrared spectroscopy (FT-IR), X-ray diffractometry (XRD), transmission electron microscopy (TEM), and photoluminescence (PL) spectroscopy. The results revealed that the precursor was composed of amorphous yttrium hydroxide sulfate when (NH4)2SO4 was introduced in the reaction system. Moreover, the precursor could be converted into pure Y2O2SO4 phase by calcining at 800 °C for 2 h in air and pure Y2O2S phase could be obtained by calcining Y2O2SO4 at 800 °C for 1 h in hydrogen atmosphere. The as-synthesized Y2O2SO4 phosphor particles are quasi-spherical in shape, slight aggregation and about 20-30 nm in size. PL spectra of the Y2O2SO4:Eu3+ nanophosphor under 270 nm ultraviolet (UV) light excitation show a red emission at 620 nm as the most prominent peak, which attributes to the 5D0→7F2 transition of Eu3+ ions. The quenching concentration of Eu3+ ions was 5 mol%, and its corresponding fluorescence lifetime was 1.49 ms according to the linear fitting result. Furthermore, the Y2O3 nanophosphor was synthesized by similar reaction and comparison of PL properties among three kinds of Eu3+ activated nanophosphors was also systematically discussed.

  14. 40 CFR 1065.370 - CLD CO2 and H2O quench verification.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 34 2013-07-01 2013-07-01 false CLD CO2 and H2O quench verification... POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Calibrations and Verifications Nox and N2o Measurements § 1065.370 CLD CO2 and H2O quench verification. (a) Scope and frequency. If you use a CLD analyzer to...

  15. 12Cao-7Al2o3 Electride Hollow Cathode

    NASA Technical Reports Server (NTRS)

    Rand, Lauren P. (Inventor); Williams, John D. (Inventor); Martinez, Rafael A. (Inventor)

    2016-01-01

    The use of the electride form of 12CaO-7Al.sub.2O.sub.3, or C12A7, as a low work function electron emitter in a hollow cathode discharge apparatus is described. No heater is required to initiate operation of the present cathode, as is necessary for traditional hollow cathode devices. Because C12A7 has a fully oxidized lattice structure, exposure to oxygen does not degrade the electride. The electride was surrounded by a graphite liner since it was found that the C12A7 electride converts to it's eutectic (CA+C3A) form when heated (through natural hollow cathode operation) in a metal tube.

  16. Surface phase diagram for Cr_2O_3(0001)

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Smith, John R.

    2004-03-01

    Surface phases of Cr_2O3 (0001) as a function of ambient oxygen pressure and temperature were computed by ab initio density-functional theory for a solid surface^1. The surface can be (1×1) or (√3×√3) Cr-terminated, (1×1) O-terminated, and (1×1) or (√3×√3) (O=Cr)-terminated. This is the first theory of the chromyl (O=Cr) termination. The terminations critically depend on the environment, i.e., on the temperature and on the ambient oxygen partial pressure. The first-principles phase diagram is compared with a substantial number of experimental observations of surface phases. 1. Xiao-Gang Wang and John R. Smith, Phys. Rev. B 68, 201402(R) (2003).

  17. Utilization of membranes for H2O recycle system

    NASA Technical Reports Server (NTRS)

    Ohya, H.; Oguchi, M.

    1986-01-01

    Conceptual studies of closed ecological life support systems (CELSS) carried out at NAL in Japan for a water recycle system using membranes are reviewed. The system will treat water from shower room, urine, impure condensation from gas recycle system, and so on. The H2O recycle system is composed of prefilter, ultrafiltration membrane, reverse osmosis membrane, and distillator. Some results are shown for a bullet train of toilet-flushing water recycle equipment with an ultraviltration membrane module. The constant value of the permeation rate with a 4.7 square meters of module is about 70 1/h after 500th of operation. Thermovaporization with porous polytetrafluorocarbon membrane is also proposed to replce the distillator.

  18. Intermolecular potential for thermal H2O-He collisions

    NASA Technical Reports Server (NTRS)

    Palma, Amedeo; Green, Sheldon; Defrees, D. J.; Mclean, A. D.

    1988-01-01

    Theoretical potentials for rotational excitation of H2O by He were constructed via several methods, all of which start with a large basis set SCF interaction. The semiempirical Hartree-Fock with damped dispersion model adds a damped long-range attraction with parameters adjusted to fit experimental total differential cross sections. Purely ab initio potentials add correlation energies obtained via perturbation theory (MP2 and MP4) or a variational method (ICF1). Scattering calculations were performed on all surfaces to compare wih available beam scattering and pressure broadening data and to assess sensitivity of state-to-state rates to uncertainties in the potential. From comparison with the limited experimental data, the ICF1 surface appears to be marginally better than the MP4 surface. Thermal rates calculated from this surface should be accurate to better than 50 percent, at least for the larger, more important rates.

  19. Doping and defects by design: Ga2O3

    NASA Astrophysics Data System (ADS)

    Lany, Stephan

    Density functional supercell calculations are widely employed to describe the defect physics in semiconductors and insulators. Due to a variety of challenges such as finite size effects for charged defects and the band gap error of DFT, results were often controversial in the past. With developments over the past decade, defect theory should hopefully be truly predictive, and be able to guide experimental efforts. The present work on n-type doping in Ga2O3 compares different potential doping routes via anion-site doping with F, and cation site doping with group IV elements (C, Si, Ge, Sn). The study addresses dopant solubility, electrical activity, and compensation by native defects, including non-equilibrium effects due to supersaturated dopant concentrations and the mechanism of dopant-defect pair formation. Supported by DOE-SC-BES as part of an Energy Frontier Research Center.

  20. NO and N2O detection employing cavity enhanced technique

    NASA Astrophysics Data System (ADS)

    Wojtas, J.; Medrzycki, R.; Rutecka, B.; Mikolajczyk, J.; Nowakowski, M.; Szabra, D.; Gutowska, M.; Stacewicz, T.; Bielecki, Z.

    2012-06-01

    The article describes an application of cavity enhanced absorption spectroscopy for nitric oxide and nitrous oxide detection. Both oxides are important greenhouse gases that are of large influence on environment, living organisms and human health. These compounds are also biomarkers of some human diseases. They determine the level of acid rain, and can be used for characterization of specific explosive materials. Therefore the sensitive detectors of these gases are of great importance for many applications: from routine air monitoring in industrial and intensive traffic areas, to detection of explosives in airports, finally for medicine investigation, for health care, etc. Our compact detection system provides opportunity for simultaneous measure of both NO and N2O concentration at ppb level. Its sensitivity is comparable with sensitivities of instruments based on other methods, e.g. gas chromatography or mass spectrometry.

  1. Theoretical studies of photoexcitation and ionization in H2O

    NASA Technical Reports Server (NTRS)

    Diercksen, G. H. F.; Kraemer, W. P.; Rescigno, T. N.; Bender, C. F.; Mckoy, B. V.; Langhoff, S. R.; Langhoff, P. W.

    1982-01-01

    Theoretical studies using Franck-Condon and static-exchange approximations are reported for the complete dipole excitation and ionization spectrum in H2O, where (1) large Cartesian Gaussian basis sets are used to represent the required discrete and continuum electronic eigenfunctions at the ground state equilibrium geometry, and (2) previously devised moment-theory techniques are employed in constructing the continuum oscillator-strength densities from the calculated spectra. Comparisons are made of the calculated excitation and ionization profiles with recent experimental photoabsorption studies and corresponding spectral assignments, electron impact-excitation cross sections, and dipole and synchrotron-radiation studies of partial-channel photoionization cross sections. The calculated partial-channel cross sections are found to be atomic-like, and dominated by 2p-kd components. It is suggested that the latter transition couples with the underlying 1b(1)-kb(1) channel, accounting for a prominent feature in recent synchrotron-radiation measurements.

  2. H2O at the Phoenix landing site.

    PubMed

    Smith, P H; Tamppari, L K; Arvidson, R E; Bass, D; Blaney, D; Boynton, W V; Carswell, A; Catling, D C; Clark, B C; Duck, T; Dejong, E; Fisher, D; Goetz, W; Gunnlaugsson, H P; Hecht, M H; Hipkin, V; Hoffman, J; Hviid, S F; Keller, H U; Kounaves, S P; Lange, C F; Lemmon, M T; Madsen, M B; Markiewicz, W J; Marshall, J; McKay, C P; Mellon, M T; Ming, D W; Morris, R V; Pike, W T; Renno, N; Staufer, U; Stoker, C; Taylor, P; Whiteway, J A; Zent, A P

    2009-07-01

    The Phoenix mission investigated patterned ground and weather in the northern arctic region of Mars for 5 months starting 25 May 2008 (solar longitude between 76.5 degrees and 148 degrees ). A shallow ice table was uncovered by the robotic arm in the center and edge of a nearby polygon at depths of 5 to 18 centimeters. In late summer, snowfall and frost blanketed the surface at night; H(2)O ice and vapor constantly interacted with the soil. The soil was alkaline (pH = 7.7) and contained CaCO(3), aqueous minerals, and salts up to several weight percent in the indurated surface soil. Their formation likely required the presence of water. PMID:19574383

  3. First Principle Predictions of Isotopic Shifts in H2O

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    We compute isotope independent first and second order corrections to the Born-Oppenheimer approximation for water and use them to predict isotopic shifts. For the diagonal correction, we use icMRCI wavefunctions and derivatives with respect to mass dependent, internal coordinates to generate the mass independent correction functions. For the non-adiabatic correction, we use scaled SCF/CIS wave functions and a generalization of the Handy method to obtain mass independent correction functions. We find that including the non-adiabatic correction gives significantly improved results compared to just including the diagonal correction when the Born-Oppenheimer potential energy surface is optimized for H2O-16. The agreement with experimental results for deuterium and tritium containing isotopes is nearly as good as our best empirical correction, however, the present correction is expected to be more reliable for higher, uncharacterized levels.

  4. Infrared spectrum and predissociation dynamics of H2O+ -Ar.

    PubMed

    Dopfer, O; Engel, V

    2004-12-22

    The infrared (IR) spectrum and vibrational predissociation of the proton-bound H(2)O(+)-Ar ionic complex are investigated within an ab initio and quantum dynamical study. For this purpose, a two-dimensional potential energy surface (2D PES) is determined as a function of the HO-H and OH-Ar coordinates. This PES is then employed in a wave-packet calculation to determine spectral properties of the system and to calculate the IR absorption spectrum. The vibrational energy levels and relative IR intensities agree well with the experimental spectrum reported earlier. On the other hand, the predissociation lifetimes in the nanosecond regime derived from the 2D PES are in disagreement with the experimental observations, indicating the importance of the neglected degrees of freedom for a correct description of the dynamics of the complex. PMID:15606253

  5. High Performance N2O4/Amine Elements

    NASA Technical Reports Server (NTRS)

    Falk, A. Y.

    1976-01-01

    An analytical and experimental investigation was conducted to develop an understanding of the mechanisms that cause reactive stream separation, commonly called blowapart, for hypergolic propellants. The investigation was limited to the N2O4/MMH propellant combination and to a range of engine-operating conditions applicable to the space tug and space shuttle attitude control and orbital maneuvering engines. Primary test variables were: chamber pressure (1 to 20 atm), fuel injection temperature (283 to 400 K)m and propellant injection velocity (9 to 50 m/s). The injector configuration studied was the unlike doublet. The reactive stream separation experiments were conducted using special combustors designed to permit photography of the near-injector spray combustion flow field. Analysis of color motion pictures provided the means of determining the occurrence of reactive stream separation.

  6. Experiments on H2-O2 MHD power generation

    NASA Astrophysics Data System (ADS)

    Smith, J. M.

    1980-06-01

    MHD power generation experiments utilizing a cesium-seeded H2-O2 working fluid have been carried out using a diverging area Hall duct having an entrance Mach number of 2. The experiments are conducted in a high-field strength cryomagnet facility at field strengths up to 5 tesla. The effects of power takeoff location, axial duct location within the magnetic field, generator loading, B-field strength, and electrode breakdown voltage were investigated. For the operating conditions of these experiments it is found that the power output increases with the square of the B-field and can be limited by choking of the channel or interelectrode voltage breakdown which occurs at Hall fields greater than 50 volts/insulator.

  7. Magnetic properties of Dy2Ti2O7

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1973-01-01

    Measurements were made of the magnetization, differential magnetic susceptibility, and magnetic entropy of powered samples of Dy2Ti2O7. The saturation magnetic moment is 4.7 + or - 0.2 Bohr magnetons per Dy ion, instead of 10 as predicted by Hund's rules. A temperature-independent magnetization is observed in the saturation region. Absolute values of magnetic entropy have been obtained for temperatures from 1.25 to 20 K, in applied fields up to 10.4 tesla. The magnetic entropy approaches a maximum value consistent with a ground-state multiplicity of 2. Low field magnetization and differential susceptibility data show a transition to antiferromagnetism near 1.35 K. A construction of the magnetic specific heat from the zero field entropy shows an anomaly near the same temperature.

  8. Experiments on H2-O2MHD power generation

    NASA Technical Reports Server (NTRS)

    Smith, J. M.

    1980-01-01

    Magnetohydrodynamic power generation experiments utilizing a cesium-seeded H2-O2 working fluid were carried out using a diverging area Hall duct having an entrance Mach number of 2. The experiments were conducted in a high-field strength cryomagnet facility at field strengths up to 5 tesla. The effects of power takeoff location, axial duct location within the magnetic field, generator loading, B-field strength, and electrode breakdown voltage were investigated. For the operating conditions of these experiments, it is found that the power output increases with the square of the B-field and can be limited by choking of the channel or interelectrode voltage breakdown which occurs at Hall fields greater than 50 volts/insulator. Peak power densities of greater than 100 MW/cu M were achieved.

  9. Ferroelectricity in high-density H2O ice.

    PubMed

    Caracas, Razvan; Hemley, Russell J

    2015-04-01

    The origin of longstanding anomalies in experimental studies of the dense solid phases of H2O ices VII, VIII, and X is examined using a combination of first-principles theoretical methods. We find that a ferroelectric variant of ice VIII is energetically competitive with the established antiferroelectric form under pressure. The existence of domains of the ferroelectric form within anti-ferroelectric ice can explain previously observed splittings in x-ray diffraction data. The ferroelectric form is stabilized by density and is accompanied by the onset of spontaneous polarization. The presence of local electric fields triggers the preferential parallel orientation of the water molecules in the structure, which could be stabilized in bulk using new high-pressure techniques. PMID:25854247

  10. Characterization of ultrafast microstructuring of alumina (Al2O3)

    NASA Astrophysics Data System (ADS)

    Perrie, Walter; Rushton, Anne; Gill, Matthew; Fox, Peter; O'Neill, William

    2005-03-01

    Alumina ceramic, Al2O3, presents a challenge to laser micro-structuring due to its neglible linear absorption coefficient in the optical region coupled with its physical properties such as extremely high melting point and high thermal conductivity. In this work, we demonstrate clean micro-structuring of alumina using NIR (λ=775 nm) ultrafast optical pulses with 180 fs duration at 1kHz repetition rate. Sub-picosecond pulses can minimise thermal effects along with collateral damage when processing conditions are optimised, consequently, observed edge quality is excellent in this regime. We present results of changing micro-structure and morphology during ultrafast processing along with measured ablation rates and characteristics of developing surface relief. Initial crystalline phase (alpha Al2O3) is unaltered by femtosecond processing. Multi-pulse ablation threshold fluence Fth ~ 1.1 Jcm-2 and at low fluence ~ 3 Jcm-2, independent of machined depth, there appears to remain a ~ 2μm thick rapidly re-melted layer. On the other hand, micro-structuring at high fluence F ~ 21 Jcm-2 shows no evidence of melting and the machined surface is covered with a fine layer of debris, loosely attached. The nature of debris produced by femtosecond ablation has been investigated and consists mainly of alumina nanoparticles with diameters from 20 nm to 1 micron with average diameter ~ 300 nm. Electron diffraction shows these particles to be essentially single crystal in nature. By developing a holographic technique, we have demonstrated periodic micrometer level structuring on polished samples of this extremely hard material.

  11. A HIFI view on circumstellar H2O in M-type AGB stars: radiative transfer, velocity profiles, and H2O line cooling

    NASA Astrophysics Data System (ADS)

    Maercker, M.; Danilovich, T.; Olofsson, H.; De Beck, E.; Justtanont, K.; Lombaert, R.; Royer, P.

    2016-06-01

    Aims: We aim to constrain the temperature and velocity structures, and H2O abundances in the winds of a sample of M-type asymptotic giant branch (AGB) stars. We further aim to determine the effect of H2O line cooling on the energy balance in the inner circumstellar envelope. Methods: We use two radiative-transfer codes to model molecular emission lines of CO and H2O towards four M-type AGB stars. We focus on spectrally resolved observations of CO and H2O from HIFI aboard the Herschel Space Observatory. The observations are complemented by ground-based CO observations, and spectrally unresolved CO and H2O observations with PACS aboard Herschel. The observed line profiles constrain the velocity structure throughout the circumstellar envelopes (CSEs), while the CO intensities constrain the temperature structure in the CSEs. The H2O observations constrain the o-H2O and p-H2O abundances relative to H2. Finally, the radiative-transfer modelling allows to solve the energy balance in the CSE, in principle including also H2O line cooling. Results: The fits to the line profiles only set moderate constraints on the velocity profile, indicating shallower acceleration profiles in the winds of M-type AGB stars than predicted by dynamical models, while the CO observations effectively constrain the temperature structure. Including H2O line cooling in the energy balance was only possible for the low-mass-loss-rate objects in the sample, and required an ad hoc adjustment of the dust velocity profile in order to counteract extreme cooling in the inner CSE. H2O line cooling was therefore excluded from the models. The constraints set on the temperature profile by the CO lines nevertheless allowed us to derive H2O abundances. The derived H2O abundances confirm previous estimates and are consistent with chemical models. However, the uncertainties in the derived abundances are relatively large, in particular for p-H2O, and consequently the derived o/p-H2O ratios are not well constrained.

  12. Experimental Studies on the Formation of D2O and D2O2 by Implantation of Energetic D+ Ions into Oxygen Ices

    NASA Astrophysics Data System (ADS)

    Bennett, Chris J.; Ennis, Courtney P.; Kaiser, Ralf I.

    2014-02-01

    The formation of water (H2O) in the interstellar medium is intrinsically linked to grain-surface chemistry; thought to involve reactions between atomic (or molecular) hydrogen with atomic oxygen (O), molecular oxygen (O2), and ozone (O3). Laboratory precedent suggests that H2O is produced efficiently when O2 ices are exposed to H atoms (~100 K). This leads to the sequential generation of the hydroxyperoxyl radical (HO2), then hydrogen peroxide (H2O2), and finally H2O and a hydroxyl radical (OH); despite a barrier of ~2300 K for the last step. Recent detection of the four involved species toward ρ Oph A supports this general scenario; however, the precise formation mechanism remains undetermined. Here, solid O2 ice held at 12 K is exposed to a monoenergetic beam of 5 keV D+ ions. Products formed during the irradiation period are monitored through FTIR spectroscopy. O3 is observed through seven archetypal absorptions. Three additional bands found at 2583, 2707, and 1195 cm -1 correspond to matrix isolated DO2 (ν1) and D2O2 (ν1, ν5), and D2O (ν2), respectively. During subsequent warming, the O2 ice sublimates, revealing a broad band at 2472 cm-1 characteristic of amorphous D2O (ν1, ν3). Sublimating D2, D2O, D2O2, and O3 products were confirmed through their subsequent detection via quadrupole mass spectrometry. Reaction schemes based on both thermally accessible and suprathermally induced chemistries were developed to fit the observed temporal profiles are used to elucidate possible reaction pathways for the formation of D2-water. Several alternative schemes to the hydrogenation pathway (O2→HO2→H2O2→H2O) were identified; their astrophysical implications are briefly discussed.

  13. I + (H2O)2 → HI + (H2O)OH Forward and Reverse Reactions. CCSD(T) Studies Including Spin-Orbit Coupling.

    PubMed

    Wang, Hui; Li, Guoliang; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F

    2016-03-01

    The potential energy profile for the atomic iodine plus water dimer reaction I + (H2O)2 → HI + (H2O)OH has been explored using the "Gold Standard" CCSD(T) method with quadruple-ζ correlation-consistent basis sets. The corresponding information for the reverse reaction HI + (H2O)OH → I + (H2O)2 is also derived. Both zero-point vibrational energies (ZPVEs) and spin-orbit (SO) coupling are considered, and these notably alter the classical energetics. On the basis of the CCSD(T)/cc-pVQZ-PP results, including ZPVE and SO coupling, the forward reaction is found to be endothermic by 47.4 kcal/mol, implying a significant exothermicity for the reverse reaction. The entrance complex I···(H2O)2 is bound by 1.8 kcal/mol, and this dissociation energy is significantly affected by SO coupling. The reaction barrier lies 45.1 kcal/mol higher than the reactants. The exit complex HI···(H2O)OH is bound by 3.0 kcal/mol relative to the asymptotic limit. At every level of theory, the reverse reaction HI + (H2O)OH → I + (H2O)2 proceeds without a barrier. Compared with the analogous water monomer reaction I + H2O → HI + OH, the additional water molecule reduces the relative energies of the entrance stationary point, transition state, and exit complex by 3-5 kcal/mol. The I + (H2O)2 reaction is related to the valence isoelectronic bromine and chlorine reactions but is distinctly different from the F + (H2O)2 system. PMID:26562487

  14. Formaldehyde (CH/sub 2/O) concentrations in the blood of humans and Fischer-344 rats exposed to CH/sub 2/O under controlled conditions

    SciTech Connect

    Heck, H.d'A.; Casanova-Schmitz, M.; Dodd, P.B.; Schachter, E.N.; Witek, T.J.; Tosun, T.

    1985-01-01

    The effect of exposure to formaldehyde (CH/sub 2/O) on the CH/sub 2/O concentration of the blood was determined. Eight male F-344 rats were exposed to 14.4 +/- 2.4 ppm of CH/sub 2/O for 2 hours and the blood was collected immediately after exposure. Formaldehyde concentrations in the blood were determined by gas chromatography/mass spectrometry. The blood of eight rats unexposed to CH/sub 2/O was collected and analyzed in the same manner. Measured CH/sub 2/O concentrations (..mu..g/g of blood) were: controls, 2.24 +/- 0.07; exposed, 2.25 +/- 0.07 (mean +/- S.E.). Formaldehyde concentrations in human blood were determined by analyzing samples of venous blood collected before and after exposure of six human volunteers (4 M, 2 F) to 1.9 +/- 0.1 ppm of CH/sub 2/O for 40 min. Average CH/sub 2/O concentrations (..mu..g/g of blood) were: before exposure, 2.61 +/- 0.14; after exposure, 2.77 +/- 0.28. In neither experiment was there a statistically significant effect of exposure on the average CH/sub 2/O concentration of the blood. However, human subjects differed significantly with respect to their blood CH/sub 2/O concentrations, and significant differences (either an increase or a decrease) were found between the CH/sub 2/O concentrations of the blood taken before and after exposure from some of the subjects, suggesting that blood CH/sub 2/O concentrations may vary with time.

  15. Observations of H2O in Titan's atmosphere with Herschel

    NASA Astrophysics Data System (ADS)

    Moreno, R.; Lellouch, E.; Lara, L. M.; Courtin, R.; Hartogh, P.; Rengel, M.

    2012-04-01

    Disk averaged observations of several H2O far infrared lines in Titan’s atmosphere were performed with the Herschel Space Observatory, as part of the guaranteed time key program "Water and related chemistry in the Solar System" (HssO, see Hartogh et al 2011). Two instruments were used: (i) HIFI, a heterodyne instrument (R~ 106 ) in the sub-millimeter, which measured the H2O(110-101) rotational transition at 557 GHz on June 10 and Dec. 31, 2010 (ii) PACS, a photoconductor spectrometer (R~103) which measured three water lines at 108.1, 75.4 and 66.4 microns on June 22, 2010. Additional PACS measurements at 66.4 microns on Dec. 15 and 22, 2010 and on July 09, 2011, do not show any significant line intensity variation with time, nor between the leading/trailing sides (i.e. longitude). Spectra were analyzed with a line-by-line radiative transfer code accounting for spherical geometry (Moreno et al. 2011). This model considers the H2O molecular opacity from JPL catalog (Pickett et al. 1998) and also includes collision-induced opacities N2-N2, N2-CH4 and CH4-CH4 (Borysow and Frommhold 1986, 1987, Borysow and Tang 1993). Far infrared aerosol opacities derived by CIRS were included, following Anderson and Samuelson (2011) for their vertical distribution and spectral dependencies. Analysis of the 557 GHz narrow line (FWHM ~ 2 MHz) indicates that it originates at altitudes above 300 km, while lines measured with PACS probe mainly deeper levels (80-150 km). The HIFI and PACS observations are fitted simultaneously, considering a vertical distribution of H2O mixing ratio which follows a power law dependency q=q0(P/P0)n, where q0 is the mixing ratio at some reference pressure level P0, taken near the expected condensation level. Model fits will be presented, and compared with previously proposed H2O vertical distributions. We show in particular that both the steep profile proposed by Lara et al. (1996) (and adopted by Coustenis et al. (1998) to model the first detection of H2O

  16. Complex peroxyuranates. Synthesis and structural assessment of alkali-metal and ammonium dioxoperoxy(sulfato)aquouranates(VI), A/sub 2/(UO/sub 2/(O/sub 2/)SO/sub 4/(H/sub 2/O)) (A = NH/sub 4/, Na), and alkali-metal and ammonium dioxoperoxy(oxalato)uranate(VI) hydrates, A/sub 2/(UO/sub 2/(O/sub 2/)C/sub 2/O/sub 4/). H/sub 2/O

    SciTech Connect

    Bhattacharjee, M.; Chaudhuri, M.K.; Purkayastha, R.N.D.

    1986-07-02

    Yellow microcrystalline alkali-metal and ammonium dioxoperoxy(sulfato)aquouranates(VI), A/sub 2/(UO/sub 2/(O/sub 2/)SO/sub 4/(H/sub 2/O)) (A = NH/sub 4/, Na), and alkali-metal and ammonium dioxoperoxy(oxalato)uranate(VI) hydrates, A/sub 2/(UO/sub 2/(O/sub 2/)C/sub 2/O/sub 4/).H/sub 2/O (A = NH/sub 4/, Na, K), have been synthesized from the reaction of the product obtained by treating an aqueous solution of UO/sub 2/(NO/sub 3/)/sub 2/.6H/sub 2/O with alkali-metal or ammonium hydroxide, AOH, with 30% H/sub 2/O/sub 2/ and aqueous sulfuric acid and oxalic acid solution, respectively, in the mole ratio UO/sub 2/(NO/sub 3/)/sub 2/.6H/sub 2/O:H/sub 2/O/sub 2/:SO/sub 4//sup 2 -/ or C/sub 2/O/sub 4//sup 2 -/ of 1:111:5 or 1, at pH 6 maintained by the addition of the corresponding alkali-metal or ammonium hydroxide. Precipitation was completed by the addition of ethanol. IR and laser Raman spectra suggest that the O/sub 2//sup 2 -/ and SO/sub 4//sup 2 -/ ions in (UO/sub 2/(O/sub 2/)SO/sub 4/(H/sub 2/O))/sup 2 -/ are bonded to the UO/sub 2//sup 2 +/ center in a bridging and in a monodentate manner, respectively, while both the O/sub 2//sup 2 -/ and C/sub 2/O/sub 4//sup 2 -/ ions in (UO/sub 2/(O/sub 2/)C/sub 2/O/sub 4/)/sup 2 -/ bind the uranyl center in bidentate chelated fashion. The complex peroxyuranates are diamagnetic and insoluble. The A/sub 2/(UO/sub 2/(O/sub 2/)SO/sub 4/(H/sub 2/O)) compounds, unlike A/sub 2/(UO/sub 2/(O/sub 2/)C/sub 2/O/sub 4/).H/sub 2/O, are stable up to 110 /sup 0/C. Whereas H/sub 2/O in A/sub 2/(UO/sub 2/(O/sub 2/SO/sub 4/(H/sub 2/O)) is coordinated to the UO/sub 2//sup 2 +/ center, it occurs as a water of crystallization in the corresponding peroxy oxalato compounds. 20 references, 3 tables.

  17. The effect of soil pH on N2O/(N2O+N2) product ratio of denitrification depends on soil NO3- concentration

    NASA Astrophysics Data System (ADS)

    Senbayram, Mehmet; Dittert, Klaus; Well, Reinhard; Lewicka-Szczebak, Dominika; Lammel, Joachim; Bakken, Lars

    2015-04-01

    Globally, agricultural soils account for about 60% of the atmospheric N2O emissions and denitrification in soil is the major source of atmospheric N2O, which contributes to global warming and destruction of stratospheric ozone. Denitrification is the microbially mediated process of dissimilatory nitrate reduction that may produce not only N2O but also nitric oxide (NO), and molecular nitrogen (N2). The major controls on denitrification rates are soil NO3, O2, and labile C levels. Typically, when soils become more anoxic, larger proportions of N2O produced in denitrification are further reduced to N2 before leaving the soil. Microbial ecology may possibly find solutions to this major environmental problem of agricultural systems once mechanisms controlling the product ratio of denitrification (N2O/N2O+N2) are better understood. Recent investigations of these gaseous microbial products provided the evidence for a negative effect of soil acidity on the N2O/N2O+N2 product ratio. However, in an earlier study, we showed that, regardless of soil type, higher NO3- concentrations in soil may also retard the reduction of N2O to N2. In this context, the positive effect of higher soil pH on the N2O/(N2O+N2) product ratio in soils with high NO3- content is still poorly understood. Therefore, we set up a number of incubation experiments in order to test short-term and long-term effects of soil pH and NO3- concentration on denitrification rates and the product stoichiometry of denitrification. We measured N2O, NO as well as elemental N2 in soils with pH levels ranging 4.1 to pH 6.9 collected from a long-term liming experiment. In a continuous flow incubation system we evacuated and flushed all vessels with He. Then, fresh He was directed through an inlet in the lid at a flow rate of 15-30 ml min-1. Gas samples were analyzed twice a day for N2O by ECD and for N2 by TCD detectors. Denitrification rates increased significantly with increasing soil pH, however, during the initial

  18. Zeta-Fe2O3--A new stable polymorph in iron(III) oxide family.

    PubMed

    Tuček, Jiří; Machala, Libor; Ono, Shigeaki; Namai, Asuka; Yoshikiyo, Marie; Imoto, Kenta; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Zbořil, Radek

    2015-01-01

    Iron(III) oxide shows a polymorphism, characteristic of existence of phases with the same chemical composition but distinct crystal structures and, hence, physical properties. Four crystalline phases of iron(III) oxide have previously been identified: α-Fe2O3 (hematite), β-Fe2O3, γ-Fe2O3 (maghemite), and ε-Fe2O3. All four iron(III) oxide phases easily undergo various phase transformations in response to heating or pressure treatment, usually forming hexagonal α-Fe2O3, which is the most thermodynamically stable Fe2O3 polymorph under ambient conditions. Here, from synchrotron X-ray diffraction experiments, we report the formation of a new iron(III) oxide polymorph that we have termed ζ-Fe2O3 and which evolved during pressure treatment of cubic β-Fe2O3 (Ia3 space group) at pressures above 30 GPa. Importantly, ζ-Fe2O3 is maintained after pressure release and represents the first monoclinic Fe2O3 polymorph (I2/a space group) that is stable at atmospheric pressure and room temperature. ζ-Fe2O3 behaves as an antiferromagnet with a Néel transition temperature of ~69 K. The complex mechanism of pressure-induced transformation of β-Fe2O3, involving also the formation of Rh2O3-II-type Fe2O3 and post-perovskite-Fe2O3 structure, is suggested and discussed with respect to a bimodal size distribution of precursor nanoparticles. PMID:26469883

  19. Zeta-Fe2O3 - A new stable polymorph in iron(III) oxide family

    NASA Astrophysics Data System (ADS)

    Tuček, Jiří; Machala, Libor; Ono, Shigeaki; Namai, Asuka; Yoshikiyo, Marie; Imoto, Kenta; Tokoro, Hiroko; Ohkoshi, Shin-Ichi; Zbořil, Radek

    2015-10-01

    Iron(III) oxide shows a polymorphism, characteristic of existence of phases with the same chemical composition but distinct crystal structures and, hence, physical properties. Four crystalline phases of iron(III) oxide have previously been identified: α-Fe2O3 (hematite), β-Fe2O3, γ-Fe2O3 (maghemite), and ɛ-Fe2O3. All four iron(III) oxide phases easily undergo various phase transformations in response to heating or pressure treatment, usually forming hexagonal α-Fe2O3, which is the most thermodynamically stable Fe2O3 polymorph under ambient conditions. Here, from synchrotron X-ray diffraction experiments, we report the formation of a new iron(III) oxide polymorph that we have termed ζ-Fe2O3 and which evolved during pressure treatment of cubic β-Fe2O3 ( space group) at pressures above 30 GPa. Importantly, ζ-Fe2O3 is maintained after pressure release and represents the first monoclinic Fe2O3 polymorph (I2/a space group) that is stable at atmospheric pressure and room temperature. ζ-Fe2O3 behaves as an antiferromagnet with a Néel transition temperature of ~69 K. The complex mechanism of pressure-induced transformation of β-Fe2O3, involving also the formation of Rh2O3-II-type Fe2O3 and post-perovskite-Fe2O3 structure, is suggested and discussed with respect to a bimodal size distribution of precursor nanoparticles.

  20. Identification and isolation of active N2O reducers in rice paddy soil

    PubMed Central

    Ishii, Satoshi; Ohno, Hiroki; Tsuboi, Masahiro; Otsuka, Shigeto; Senoo, Keishi

    2011-01-01

    Dissolved N2O is occasionally detected in surface and ground water in rice paddy fields, whereas little or no N2O is emitted to the atmosphere above these fields. This indicates the occurrence of N2O reduction in rice paddy fields; however, identity of the N2O reducers is largely unknown. In this study, we employed both culture-dependent and culture-independent approaches to identify N2O reducers in rice paddy soil. In a soil microcosm, N2O and succinate were added as the electron acceptor and donor, respectively, for N2O reduction. For the stable isotope probing (SIP) experiment, 13C-labeled succinate was used to identify succinate-assimilating microbes under N2O-reducing conditions. DNA was extracted 24 h after incubation, and heavy and light DNA fractions were separated by density gradient ultracentrifugation. Denaturing gradient gel electrophoresis and clone library analysis targeting the 16S rRNA and the N2O reductase gene were performed. For culture-dependent analysis, the microbes that elongated under N2O-reducing conditions in the presence of cell-division inhibitors were individually captured by a micromanipulator and transferred to a low-nutrient medium. The N2O-reducing ability of these strains was examined by gas chromatography/mass spectrometry. Results of the SIP analysis suggested that Burkholderiales and Rhodospirillales bacteria dominated the population under N2O-reducing conditions, in contrast to the control sample (soil incubated with only 13C-succinate). Results of the single-cell isolation technique also indicated that the majority of the N2O-reducing strains belonged to the genera Herbaspirillum (Burkholderiales) and Azospirillum (Rhodospirillales). In addition, Herbaspirillum strains reduced N2O faster than Azospirillum strains. These results suggest that Herbaspirillum spp. may have an important role in N2O reduction in rice paddy soils. PMID:21677691

  1. Identification and isolation of active N2O reducers in rice paddy soil.

    PubMed

    Ishii, Satoshi; Ohno, Hiroki; Tsuboi, Masahiro; Otsuka, Shigeto; Senoo, Keishi

    2011-12-01

    Dissolved N(2)O is occasionally detected in surface and ground water in rice paddy fields, whereas little or no N(2)O is emitted to the atmosphere above these fields. This indicates the occurrence of N(2)O reduction in rice paddy fields; however, identity of the N(2)O reducers is largely unknown. In this study, we employed both culture-dependent and culture-independent approaches to identify N(2)O reducers in rice paddy soil. In a soil microcosm, N(2)O and succinate were added as the electron acceptor and donor, respectively, for N(2)O reduction. For the stable isotope probing (SIP) experiment, (13)C-labeled succinate was used to identify succinate-assimilating microbes under N(2)O-reducing conditions. DNA was extracted 24  h after incubation, and heavy and light DNA fractions were separated by density gradient ultracentrifugation. Denaturing gradient gel electrophoresis and clone library analysis targeting the 16S rRNA and the N(2)O reductase gene were performed. For culture-dependent analysis, the microbes that elongated under N(2)O-reducing conditions in the presence of cell-division inhibitors were individually captured by a micromanipulator and transferred to a low-nutrient medium. The N(2)O-reducing ability of these strains was examined by gas chromatography/mass spectrometry. Results of the SIP analysis suggested that Burkholderiales and Rhodospirillales bacteria dominated the population under N(2)O-reducing conditions, in contrast to the control sample (soil incubated with only (13)C-succinate). Results of the single-cell isolation technique also indicated that the majority of the N(2)O-reducing strains belonged to the genera Herbaspirillum (Burkholderiales) and Azospirillum (Rhodospirillales). In addition, Herbaspirillum strains reduced N(2)O faster than Azospirillum strains. These results suggest that Herbaspirillum spp. may have an important role in N(2)O reduction in rice paddy soils. PMID:21677691

  2. A kinetic study of the reactions of Fe+ with N2O, N2, O2, CO2 and H2O, and the ligand-switching reactions Fe+.X + Y --> Fe+.Y + X (X = N2, O2, CO2; Y = O2, H2O).

    PubMed

    Vondrak, T; Woodcock, K R I; Plane, J M C

    2006-01-28

    A series of reactions involving Fe(+) ions were studied by the pulsed laser ablation of an iron target, with detection of ions by quadrupole mass spectrometry at the downstream end of a fast flow tube. The reactions of Fe(+) with N(2)O, N(2) and O(2) were studied in order to benchmark this new technique. Extending measurements of the rate coefficient for Fe(+) + N(2)O from 773 K to 185 K shows that the reaction exhibits marked non-Arrhenius behaviour, which appears to be explained by excitation of the N(2)O bending vibrational modes. The recombination of Fe(+) with CO(2) and H(2)O in He was then studied over a range of pressure and temperature. The data were fitted by RRKM theory combined with ab initio quantum calculations on Fe(+).CO(2) and Fe(+).H(2)O, yielding the following results (120-400 K and 0-10(3) Torr). For Fe(+) + CO(2): k(rec,0) = 1.0 x 10(-29) (T/300 K)(-2.31) cm(6) molecule(-2) s(-1); k(rec,infinity) = 8.1 x 10(-10) cm(3) molecule(-1) s(-1). For Fe(+) + H(2)O: k(rec,0) = 5.3 x 10(-29) (T/300 K)(-2.02) cm(6) molecule(-2) s(-1); k(rec,infinity) = 2.1 x 10(-9) (T/300 K)(-0.41) cm(3) molecule(-1) s(-1). The uncertainty in these rate coefficients is determined using a Monte Carlo procedure. A series of exothermic ligand-switching reactions were also studied at 294 K: k(Fe(+).N(2) + O(2)) = (3.17 +/- 0.41) x 10(-10), k(Fe(+).CO(2) + O(2)) = (2.16 +/- 0.35) x 10(-10), k(Fe(+).N(2) + H(2)O) = (1.25 +/- 0.14) x 10(-9) and k(Fe(+).O(2) + H(2)O) = (8.79 +/- 1.30) x 10(-10) cm(3) molecule(-1) s(-1), which are all between 36 and 52% of their theoretical upper limits calculated from long-range capture theory. Finally, the role of these reactions in the chemistry of meteor-ablated iron in the upper atmosphere is discussed. The removal rates of Fe(+) by N(2), O(2), CO(2) and H(2)O at 90 km altitude are approximately 0.1, 0.07, 3 x 10(-4) and 1 x 10(-6) s(-1), respectively. The initially formed Fe(+).N(2) and Fe(+).O(2) are converted into the H(2)O complex at

  3. Equation of state and thermodynamic properties of pure D[sub 2]O and D[sub 2]O + H[sub 2]O mixtures in and beyond the critical regions

    SciTech Connect

    Kiselev, S.B.; Abdulagatov, I.M.; Harvey, A.H. . Physical and Chemical Properties Div.)

    1999-03-01

    A parametric crossover model is adapted to represent the thermodynamic properties of pure D[sub 2]O in the extended critical region. The crossover equation of state for D[sub 2]O incorporates scaling laws asymptotically close to the critical point and is transformed into a regular classical expansion far from the critical point. An isomorphic generalization of the law of corresponding states is applied to the prediction of thermodynamic properties and the phase behavior of D[sub 2]O + H[sub 2]O mixtures over a wide region around the focus of vapor liquid critical points. A comparison is made with experimental data for pure D[sub 2]O and for the D[sub 2]O + H[sub 2]O mixture. The equation of state yields a good representation of thermodynamic property data in the range of temperatures 0.8[Tc](x)[le]T[le]1.5[Tc](x) and densities 0.35[rho][sub c](x)[le][rho][le]1.65 [rho][sub c](x).

  4. Equation of state and thermodynamic properties of pure D{sub 2}O and D{sub 2}O + H{sub 2}O mixtures in and beyond the critical regions

    SciTech Connect

    Kiselev, S.B.; Abdulagatov, I.M.; Harvey, A.H.

    1999-03-01

    A parametric crossover model is adapted to represent the thermodynamic properties of pure D{sub 2}O in the extended critical region. The crossover equation of state for D{sub 2}O incorporates scaling laws asymptotically close to the critical point and is transformed into a regular classical expansion far from the critical point. An isomorphic generalization of the law of corresponding states is applied to the prediction of thermodynamic properties and the phase behavior of D{sub 2}O + H{sub 2}O mixtures over a wide region around the focus of vapor liquid critical points. A comparison is made with experimental data for pure D{sub 2}O and for the D{sub 2}O + H{sub 2}O mixture. The equation of state yields a good representation of thermodynamic property data in the range of temperatures 0.8{Tc}(x){le}T{le}1.5{Tc}(x) and densities 0.35{rho}{sub c}(x){le}{rho}{le}1.65 {rho}{sub c}(x).

  5. Zero-point entropy of the spinel spin glasses CuGa2O4 and CuAl2O4

    NASA Astrophysics Data System (ADS)

    Fenner, L. A.; Wills, A. S.; Bramwell, S. T.; Dahlberg, M.; Schiffer, P.

    2009-01-01

    The zero-point entropy of a spin glass is a difficult property to experimentally determine and interpret. Spin glass theory provides various predictions, including unphysical ones, for the value of the zero-point entropy, however experimental results have been lacking. We have investigated the magnetic properties and zero-point entropy of two spinel Cu2+ based spin glasses, CuGa2O4 and CuAl2O4. Dc- and ac-susceptibility and specific heat measurements show many characteristic spin glass features for both materials. The spin glass freezing temperature is determined to be Tf = 2.89 ± 0.05 K for CuGa2O4 and Tf = 2.30 ± 0.05 K for CuAl2O4. By integrating the specific heat data we have found that CuGa2O4 and CuAl2O4 have zero-point entropies of S0 = 4.96 JK-1mol-1 and S0 = 4.76 JK-1mol-1 respectively. These values are closest to the prediction for a Sherrington-Kirkpatrick XY spin glass, however they are notably higher than all of the theoretical predictions. This indicates that CuGa2O4 and CuAl2O4 have a greater degeneracy in their ground states than any of the spin glass models.

  6. Ionic liquid-assisted solvothermal synthesis of hollow Mn2O3 anode and LiMn2O4 cathode materials for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    He, Xin; Wang, Jun; Jia, Haiping; Kloepsch, Richard; Liu, Haidong; Beltrop, Kolja; Li, Jie

    2015-10-01

    Mn-based Mn2O3 anode and LiMn2O4 cathode materials are prepared by a solvothermal method combined with post annealing process. Environmentally friendly ionic liquid 1-Butyl-3-methylimidazolium tetrafluoroborate as both structure-directing agent and fluorine source is used to prepare hollow polyhedron MnF2 precursor. Both target materials Mn2O3 anode and LiMn2O4 cathode have the morphology of the MnF2 precursor. The Mn2O3 anode using carboxymethyl cellulose as binder could deliver slight better electrochemical performance than the one using poly (vinyldifluoride) as binder. The former has an initial charge capacity of 800 mAh g-1 at a current density of 101.8 mA g-1, and exhibits no obvious capacity decay for 150 cycles at 101.8 mA g-1. The LiMn2O4 cathode material prepared with molten salt assistant could display much better electrochemical performance than the one prepared without molten salt assistance. In particular, it has an initial discharge capacity of 117.5 mAh g-1 at a current density of 0.5C and good rate capability. In the field of lithium ion batteries, both the Mn2O3 anode and LiMn2O4 cathode materials could exhibit enhanced electrochemical performance due to the well formed morphology based on the ionic liquid-assisted solvothermal method.

  7. The growth of Al2O3/YAG:Ce melt growth composite by the vertical Bridgman technique using an a-axis Al2O3 seed

    NASA Astrophysics Data System (ADS)

    Yoshimura, Masafumi; Sakata, Shin-ichi; Yamada, Seiya; Taishi, Toshinori; Hoshikawa, Keigo

    2015-10-01

    Al2O3/Y3Al5O12 (YAG):Ce melt growth composites (MGCs) were grown by the vertical Bridgman (VB) method using an a-axis [112¯0] Al2O3 seed, and the crystallographic orientations and optical properties of the grown MGCs were investigated. It was found that a crack-free MGC ingot could be grown from the Al2O3 seed. In the MGC grown using the Al2O3 seed, the position of the seeding interface was almost the same to the initial position of the top of the seed. By means of electron backscatter diffraction (EBSD) analysis, it was found that the crystallographic orientation of the Al2O3 phase in the grown MGC corresponded to the a-axis Al2O3 seed, while YAG phases with several different orientations were observed. The light-conversion properties of the MGCs grown using an a axis Al2O3 seed for application to white light emitting diodes (LEDs) were quite similar to those grown using an MGC seed. It was also found that it was possible to grow larger diameter, 2-in., Ce-doped MGC ingots with similar crystallographic properties with the VB method using a small Al2O3 seed.

  8. SOLID SOLUTION EFFECTS ON THE THERMAL PROPERTIES IN THE MgAl2O4-MgGa2O4

    SciTech Connect

    O'Hara, Kelley; Smith, Jeffrey D; Sander, Todd P.; Hemrick, James Gordon

    2013-01-01

    Solid solution eects on thermal conductivity within the MgO-Al2O3-Ga2O3 system were studied. Samples with systematically varied additions of MgGa2O4 to MgAl2O4 were prepared and the laser ash technique was used to determine thermal diusivity at temperatures between 200C and 1300C. Heat capacity as a function of temperature from room temperature to 800C was also determined using dierential scanning calorimetry. Solid solution in the MgAl2O4-MgGa2O4 system decreases the thermal conductivity up to 1000C. At 200C thermal conductivity decreased 24% with a 5 mol% addition of MgGa2O4 to the system. At 1000C the thermal conductivity decreased 13% with a 5 mol% addition. Steady state calculations showed a 12.5% decrease in heat ux with 5 mol% MgGa2O4 considered across a 12 inch thickness.

  9. First-principles study of electronic properties of La2Hf2O7 and Gd2Hf2O7

    SciTech Connect

    Li, Ni; Xiao, H. Y.; Zu, Xiaotao T.; Wang, Lumin M.; Ewing, R. C.; Lian, Jie; Gao, Fei

    2007-09-15

    The structural and electronic properties of A2Hf2O7 (A=La and Gd) pyrochlore compounds are investigated by means of first-principles total energy calculations. Also, the formation energies of defects are calculated, and the results can be used to explain the stability of pyrochlores. Hybridizations between A 5p and O 2s and between A 5d and O 2p states are observed, but the interaction between A 5p and O 2s orbitals is much stronger in Gd2Hf2O7 than that in La2Hf2O7. Gd2Hf2O7 compound shows much different density of state distribution from that of La2Hf2O7. Mulliken overlap population analysis shows that the A-O48f and A-O8b bonds in Gd2Hf2O7 are more ionic than the corresponding bonds in La2Hf2O7, while the Hf-O48f bond in Gd2Hf2O7 is more covalent. These calculations suggest that A-O48f and A-O8b bonds may play important roles in their responses to irradiation-induced amorphization observed experimentally.

  10. Deposition of luminescent Y2O3:Eu3+ on ferromagnetic mesoporous CoFe2O4@mSiO2 nanocomposites.

    PubMed

    Ren, Xiaozhen; Tong, Lizhu; Chen, Xiaodong; Ding, Hong; Yang, Xuwei; Yang, Hua

    2014-06-14

    Luminescent Y2O3:Eu(3+) particles have been deposited on the surface of ferromagnetic mesoporous CoFe2O4@mSiO2 nanoparticles by a co-precipitation method, obtaining multifunctional CoFe2O4@mSiO2@Y2O3:Eu(3+) nanocomposites. XRD, SEM, TEM, EDX, XPS, N2-adsorption-desorption, FT-IR, VSM and PL were used to characterized the samples. The results reveal that the nanocomposites display typical mesoporous characteristics with high surface areas (BET), large pore volumes and core-shell structures. The composites show ferromagnetic properties and red luminescence from the (5)D0-(7)F2 transition at 610 nm. The size and the magnetic and luminescence properties of the composites could be tuned by systematically varying the experimental parameters, such as the annealing temperature, the mass ratio of CoFe2O4@mSiO2 to Y2O3:Eu(3+), and the volume of TEOS. A possible quenching mechanism of the luminescent Y2O3:Eu(3+) by the ferromagnetic CoFe2O4 is proposed. The high BET and large pore volume may give the composite potential application in controlled drug release. PMID:24741669

  11. Self-sufficing H2O2-responsive nanocarriers through tumor-specific H2O2 production for synergistic oxidation-chemotherapy.

    PubMed

    Li, Junjie; Ke, Wendong; Wang, Lei; Huang, Mingming; Yin, Wei; Zhang, Ping; Chen, Qixian; Ge, Zhishen

    2016-03-10

    One of distinct features in tumor tissues is the elevated concentration of reactive oxygen species (ROS) during tumor immortality, proliferation and metastasis. However, ROS-responsive materials are rarely utilized in the field of in vivo tumoral ROS-responsive applications due to the fact that the intrinsic ROS level in the tumors could not escalate to an adequate level that the developed materials can possibly respond. Herein, palmitoyl ascorbate (PA) as a prooxidant for hydrogen peroxide (H2O2) production in tumor tissue is strategically compiled into a H2O2-responsive camptothecin (CPT) polymer prodrug micelle, which endowed the nanocarriers with self-sufficing H2O2 stimuli in tumor tissues. Molecular oncology manifests the hallmarks of tumoral physiology with deteriorating propensity in eliminating hazardous ROS. H2O2 production was demonstrated to specifically sustain in tumors, which not only induced tumor cell apoptosis by elevated oxidation stress but also served as autochthonous H2O2 resource to trigger CPT release for chemotherapy. Excess H2O2 and released CPT could penetrate into cells efficiently, which showed synergistic cytotoxicity toward cancer cells. Systemic therapeutic trial revealed potent tumor suppression of the proposed formulation via synergistic oxidation-chemotherapy. This report represents a novel nanomedicine platform combining up-regulation of tumoral H2O2 level and self-sufficing H2O2-responsive drug release to achieve novel synergistic oxidation-chemotherapy. PMID:26806789

  12. Kinetic control in the synthesis of metastable polymorphs: Bixbyite-to-Rh2O3(II)-to-corundum transition in In2O3

    NASA Astrophysics Data System (ADS)

    Bekheet, Maged F.; Schwarz, Marcus R.; Kroll, Peter; Gurlo, Aleksander

    2015-09-01

    An example for kinetic control of a solid-state phase transformation, in which the system evolves via the path with the lowest activation barrier rather than ending in the thermodynamically most favorable state, has been demonstrated. As a case study, the phase transitions of indium sesquioxide (In2O3) have been guided by theoretical calculations and followed in situ under high-pressure high-temperature conditions in multi-anvil assemblies. The corundum-type rh-In2O3 has been synthesized from stable bixbyite-type c-In2O3 in two steps: first generating orthorhombic Rh2O3-II-type o‧-In2O3 which is thermodynamically stable at 8.5 GPa/850 °C and, thereafter, exploiting the preferred kinetics in the subsequent transformation to the rh-In2O3 during decompression. This synthesis strategy of rh-In2O3 was confirmed ex situ in a toroid-type high-pressure apparatus at 8 GPa and 1100 °C. The pressure-temperature phase diagrams have been constructed and the stability fields of In2O3 polymorphs and the crystallographic relationship between them have been discussed.

  13. Isotope signatures of N2O emitted from vegetable soil: Ammonia oxidation drives N2O production in NH4(+)-fertilized soil of North China.

    PubMed

    Zhang, Wei; Li, Yuzhong; Xu, Chunying; Li, Qiaozhen; Lin, Wei

    2016-01-01

    Nitrous oxide (N2O) is a potent greenhouse gas. In North China, vegetable fields are amended with high levels of N fertilizer and irrigation water, which causes massive N2O flux. The aim of this study was to determine the contribution of microbial processes to N2O production and characterize isotopic signature effects on N2O source partitioning. We conducted a microcosm study that combined naturally abundant isotopologues and gas inhibitor techniques to analyze N2O flux and its isotopomer signatures [δ(15)N(bulk), δ(18)O, and SP (intramolecular (15)N site preference)] that emitted from vegetable soil after the addition of NH4(+) fertilizers. The results show that ammonia oxidation is the predominant process under high water content (70% water-filled pore space), and nitrifier denitrification contribution increases with increasing N content. δ(15)N(bulk) and δ(18)O of N2O may not provide information about microbial processes due to great shifts in precursor signatures and atom exchange, especially for soil treated with NH4(+) fertilizer. SP and associated two end-member mixing model are useful to distinguish N2O source and contribution. Further work is needed to explore isotopomer signature stability to improve N2O microbial process identification. PMID:27387280

  14. Isotope signatures of N2O emitted from vegetable soil: Ammonia oxidation drives N2O production in NH4+-fertilized soil of North China

    PubMed Central

    Zhang, Wei; Li, Yuzhong; Xu, Chunying; Li, Qiaozhen; Lin, Wei

    2016-01-01

    Nitrous oxide (N2O) is a potent greenhouse gas. In North China, vegetable fields are amended with high levels of N fertilizer and irrigation water, which causes massive N2O flux. The aim of this study was to determine the contribution of microbial processes to N2O production and characterize isotopic signature effects on N2O source partitioning. We conducted a microcosm study that combined naturally abundant isotopologues and gas inhibitor techniques to analyze N2O flux and its isotopomer signatures [δ15Nbulk, δ18O, and SP (intramolecular 15N site preference)] that emitted from vegetable soil after the addition of NH4+ fertilizers. The results show that ammonia oxidation is the predominant process under high water content (70% water-filled pore space), and nitrifier denitrification contribution increases with increasing N content. δ15Nbulk and δ18O of N2O may not provide information about microbial processes due to great shifts in precursor signatures and atom exchange, especially for soil treated with NH4+ fertilizer. SP and associated two end-member mixing model are useful to distinguish N2O source and contribution. Further work is needed to explore isotopomer signature stability to improve N2O microbial process identification. PMID:27387280

  15. Preparation of BaTiO3/Cu2O and BaTiO3/Cu2O/Au Complexes: Their Photocatalytic and Antipathogenic Effect.

    PubMed

    Cho, Sung-Woo; Nam, Dae-Hyun; Kim, Lee-Han; Jung, Dongwoon

    2016-05-01

    BaTiO3/Cu2O and BaTiO3/Cu2O/Au complexes were prepared from CuCl2, HAuCl4 solution, and BaTiO3 by the solution method. BaTiO3 particles were dispersed in a CuCl2 solution, and the BaTiO3/CuO complex was produced through crystallization of CuO onto the BaTiO3 surface by hydrolysis of CuCl2 in the first stage. After the reaction, CuO was reduced to Cu2O by treatment with glucose, thereby yielding the BaTiO3/Cu2O complex. The BaTiO3/Cu2O/Au complex was prepared by treating the BaTiO3/Cu2O particles with HAuCl4. Under visible light, the obtained BaTiO3/Cu2O0/Au complex showed higher photocatalytic activity than the Degussa P-25sample. In addition, the BaTiO3/Cu2O complex showed excellent antipathogenic effect. PMID:27483887

  16. Coherent V{sub 2}O{sub 3} precipitates in {alpha}-Al{sub 2}O{sub 3} co-implanted with vanadium and oxygen

    SciTech Connect

    Gea, L.A.; Boatner, L.A.; Budai, J.D.; Rankin, J. |

    1994-12-31

    The oxides of vanadium VO{sub 2} and V{sub 2}O{sub 3} are of fundamental and practical interest since they undergo structural phase transitions during which large variations in their optical and electronic properties are observed. In the present work, the authors report the formation of buried precipitates of V{sub 2}O{sub 3} in sapphire by ion implantation and thermal annealing. It was found that the co-implantation of oxygen and vanadium was required in order to form nanophase V{sub 2}O{sub 3} precipitates. Additionally, these precipitates, which formed only following an anneal of the co-implanted sample under reducing conditions, are coherent with the sapphire lattice. Two epitaxial relationships were observed: (0001)V{sub 2}O{sub 3}//(0001) {alpha}-Al{sub 2}O{sub 3} and (11--20)V{sub 2}O{sub 3}//(0001) {alpha}-Al{sub 2}O{sub 3}. This finding is in agreement with results obtained elsewhere for thin films of V{sub 2}O{sub 3} deposited on c-axis-oriented sapphire.

  17. Catalytic performance of V2O5-MoO3/γ-Al2O3 catalysts for partial oxidation of n-hexane1

    NASA Astrophysics Data System (ADS)

    Mahmoudian, R.; Khodadadi, Z.; Mahdavi, Vahid; Salehi, Mohammed

    2016-01-01

    In the current study, a series of V2O5-MoO3 catalyst supported on γ-Al2O3 with various V2O5 and MoO3 loadings was prepared by wet impregnation technique. The characterization of prepared catalysts includes BET surface area, powder X-ray diffraction (XRD), and oxygen chemisorptions. The partial oxidation of n-hexane by air over V2O5-MoO3/γ-Al2O3 catalysts was carried out under flow condition in a fixed bed glass reactor. The effect of V2O5 loading, temperature, MoO3 loading, and n-hexane LHSV on the n-hexane conversion and the product selectivity were investigated. The partial oxygenated products of n-hexane oxidation were ethanol, acetic anhydride, acetic acid, and acetaldehyde. The 10% V2O5-1%MoO3/γ-Al2O3 was found in most active and selective catalyst during partial oxidation of n-hexane. The results indicated that by increasing the temperature, the n-hexane conversion increases as well, although the selectivity of the products passes through a maximum by increasing the temperature.

  18. ClNO2 and nitrate (NO3-) formation via N2O5 uptake to particles: Derivation of N2O5 uptake coefficients from ambient datasets

    NASA Astrophysics Data System (ADS)

    Phillips, Gavin J.; Thieser, Jim; Tang, Ming J.; Sobanski, Nicolas; Fachinger, Johannes; Drewnick, Frank; Lelieveld, Jos; Crowley, John N.

    2015-04-01

    We present estimates of the uptake coefficient of N2O5, γ(N2O5), using ambient measurements of the trace gases N2O5 and ClNO2 and particle composition and surface area at the Kleiner Feldberg observatory, near Frankfurt, SW Germany, during the PARADE campaign (summer 2011). Three methods used to extract γ(N2O5) from the datasets were found to be in reasonable agreement, generating values between 0.001 and 0.4. γ(N2O5) displayed a significant dependence on relative humidity (RH), the largest values obtained, as expected, at high RH. No significant dependence of γ(N2O5) on particle organic content or sulphate-to-organic ratio was observed. The variability in γ(N2O5) is however large, indicating that humidity is not the sole factor determining the uptake coefficient. There is also an indication that the yield of ClNO2 with respect to N2O5 uptake is larger with lower concentrations of PM1 total organics. Our results will be compared to existing uptake coefficients from laboratory studies and those derived from field-observations.

  19. Modeling of the solubilities of NiO/NiAl2O4 and FeO/FeAl2O4 in cryolite melts at 1300 K

    NASA Astrophysics Data System (ADS)

    Zhang, Yunshu; Wu, Xiaoxia; Rapp, Robert A.

    2004-02-01

    Experiments to measure the solubilities of NiO/NiAl2O4 and FeO/FeAl2O4 were performed, and the results confirmed existing literature values. The solubilities of NiAl2O4 and FeAl2O4 in Al2O3-saturated cryolite melts at 1300 K were modeled thermodynamically in terms of the Ni-containing complexes Na2NiF4 and Na4NiF6, and the Fe-containing solutes FeF2, Na2FeF4, and Na4FeF6. The experimental solubility data were fitted to multiple simultaneous equilibria. Equilibrium constants and ΔG f 0 values for the formation reactions of the these solutes were thereby estimated. The solubilities of NiO/NiAl2O4 and FeO/FeAl2O4 and solute distributions in Al2O3-undersaturated cryolite melts were calculated for a number of melt compositions from the present model. The existence of several competitive solute species is inherent to highly buffered ionic cryolite solutions where the traditional log-log methodology had previously failed to identify dominant single solutes. In such solutions, individual solutes of oxides are not likely to dominate over a wide composition range so that a more global modeling is required. The principal solute species identified in the present study exhibit reasonable three-dimensional (3-D) anion geometries.

  20. 40 CFR 721.10018 - Calcium hydroxide oxide silicate (Ca6(OH)2O2(Si2O5)3).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10018 Calcium hydroxide oxide silicate (Ca6(OH)2O2(Si2O5)3). (a) Chemical substance and significant new uses subject to reporting. (1) The...

  1. Highly Facet-Dependent Photocatalytic Properties of Cu2 O Crystals Established through the Formation of Au-Decorated Cu2 O Heterostructures.

    PubMed

    Yuan, Guo-Zhi; Hsia, Chi-Fu; Lin, Zhen-Wen; Chiang, Chieh; Chiang, Yun-Wei; Huang, Michael H

    2016-08-22

    This work confirms the presence of a large facet-dependent photocatalytic activity of Cu2 O crystals through sparse deposition of gold particles on Cu2 O cubes, octahedra, and rhombic dodecahedra. Au-decorated Cu2 O rhombic dodecahedra and octahedra showed greatly enhanced photodegradation rates of methyl orange resulting from a better separation of the photogenerated electrons and holes, with the rhombic dodecahedra giving the best efficiency. Au-Cu2 O core-shell rhombic dodecahedra also displayed a better photocatalytic activity than pristine rhombic dodecahedra. However, Au-deposited Cu2 O cubes, pristine cubes, and Au-deposited small nanocubes bound by entirely {100} facets are all photocatalytically inactive. X-ray photoelectron spectra (XPS) showed identical copper peak positions for these Au-decorated crystals. Remarkably, electron paramagnetic resonance (EPR) measurements indicated a higher production of hydroxyl radicals for the photoirradiated Cu2 O rhombic dodecahedra than for the octahedra, but no radicals were produced from photoirradiated Cu2 O cubes. The Cu2 O {100} face may present a high energy barrier through its large band edge bending and/or electrostatic repulsion, preventing charge carriers from reaching to this surface. The conventional photocatalysis model fails in this case. The facet-dependent photocatalytic differences should be observable in other semiconductor systems whenever a photoinduced charge-transfer process occurs across an interface. PMID:27470656

  2. H2O2 levels in rainwater collected in south Florida and the Bahama Islands

    NASA Technical Reports Server (NTRS)

    Zika, R.; Saltzman, E.; Chameides, W. L.; Davis, D. D.

    1982-01-01

    Measurements of H2O2 in rainwater collected in Miami, Florida, and the Bahama Islands area indicate the presence of H2O2 concentration levels ranging from 100,000 to 700,000 M. No systematic trends in H2O2 concentration were observed during an individual storm, in marked contrast to the behavior of other anions for example, NO3(-), SO4(-2), and Cl(-). The data suggest that a substantial fraction of the H2O2 found in precipitation is generated by aqueous-phase reactions within the cloudwater rather than via rainout and washout of gaseous H2O2.

  3. Structural investigation in the TiB{sub 2}-(Na{sub 2}O.B{sub 2}O{sub 3}.Al{sub 2}O{sub 3}) system

    SciTech Connect

    Buixaderas, Elena; Maria Anghel, Elena; Petrescu, Simona; Osiceanu, Petre

    2010-09-15

    Composites in the TiB{sub 2}-Na{sub 2}O.B{sub 2}O{sub 3}.Al{sub 2}O{sub 3} systems, TiB{sub 2}-MBA (MB stands for sodium metaborate and A is Al{sub 2}O{sub 3}), were prepared by self-propagating high-temperature synthesis (SHS), in simultaneous mode. Selection of these compositions was ruled by the interesting properties of both TiB{sub 2} and double borates of alkali metal and aluminum. The structure of the obtained materials was evaluated by micro-Raman spectroscopy, from room temperature up to 600 {sup o}C, and X-ray photoelectron spectroscopy (XPS). Formation of the TiB{sub 2} and TiO{sub 2-x}B{sub x} phases along with TiO{sub 2} as rutile were identified as titanium speciation in the grain phase embedded in a sodium aluminum borate matrix. Integration of the Raman spectra of the grain phases revealed a TiB{sub 2} content of 16.99% and 23.32% for the two composite investigated 2TiB{sub 2}.2MBA and 3TiB{sub 2}.5MBA. A constrained-width model for the spectral deconvolution of the high-frequency Raman band was forwarded to calculate the proportion of tetrahedral boron atoms (7.424%) in the blank borate matrix Na{sub 2}B{sub 2}O{sub 4}.Al{sub 2}O{sub 3} in solid phase. - Graphical abstract: Deconvolution of the reduced Raman spectrum of the grain phase in TiB{sub 2}-(Na{sub 2}O.B{sub 2}O{sub 3}.Al{sub 2}O{sub 3}) composite along with its Raman micrographs collected at room temperature.

  4. Redetermination of [Gd(NO3)3(H2O)4]·2H2O

    PubMed Central

    Taha, Ziyad A.; Ajlouni, Abdulaziz; Hijazi, Ahmed K.; Kühn, Fritz E.; Herdtweck, Eberhardt

    2012-01-01

    The crystal structure of the title compound, tetra­aqua­tris­(nitrato-κ2 O,O′)gadolinium(III) dihydrate, was redetermined from single-crystal X-ray data. In comparison with the first determination [Ma et al. (1991 ▶). Wuji Huaxue Xuebao, 7, 351–353], all H atoms could be located, accompanied with higher accuracy and precision. The GdIII atom shows a ten-coordination with three nitrate ligands behaving in a bidentate manner and the other positions being occupied by four water mol­ecules, forming a distorted bicapped square anti­prism. Two nitrate ions coordinate to the metal atom with similar bond lengths while the third shows a more asymmetric bonding behaviour. An intricate network of O—H⋯O hydrogen bonds, including the lattice water mol­ecules, stabilizes the crystal packing. PMID:22807698

  5. Transport properties of PbO-P2O5-ZnO-Li2O glass system

    NASA Astrophysics Data System (ADS)

    Lakshmikantha, R.; Rajaramakrishna, R.; Ayachit, N. H.; Anavekar, R. V.

    2012-06-01

    The electrical conductivity of Li+ ion conducting lead zinc phosphate glasses have been carried out both as a function of temperature and frequency in the temperature range 458-510K and over frequencies 40 Hz to 10 MHz. The dc conductivities show Arrhenius behavior and show compositional dependence. The σ decreases with increase in Li2O content. The ac conductivity behavior has been analyzed using Almond-West power law using a single exponent. The exponent 's' obtained from the power law fits is found to have values ranging from 0.74 - 0.80 in these glasses and shows moderate temperature dependence, which is attributed to high degree of modification in the glass network.

  6. Redetermination of [Pr(NO3)3(H2O)4]·2H2O

    PubMed Central

    Decadt, Roel; Van Der Voort, Pascal; Van Driessche, Isabel; Van Deun, Rik; Van Hecke, Kristof

    2012-01-01

    The structure of the title compound, tetra­aqua­tris­(nitrato-κ2 O,O′)praseodymium(III) dihydrate, was redetermined. The structure models derived from the previous determinations [Rumanova et al. (1964 ▶). Kristallografiya, 9, 642–654; Fuller & Jacobson (1976 ▶). Cryst. Struct. Commun. 5, 349–352] were confirmed, but now with all H atoms unambiguously located, revealing a complex O—H⋯O hydrogen-bonding network, extending throughout the whole structure. In the title compound, the coordination environment of the PrIII atom can best be described as a distorted bicapped square anti­prism defined by three bidentate nitrate anions and four water mol­ecules. Additionally, two lattice water mol­ecules are observed in the crystal packing. The title compound is isotypic with several other lanthanide-containing nitrate analogues. PMID:22807700

  7. Thermodynamics and Kinetics of the Formation of Al2O3/ MgAl2O4/MgO in Al-Silica Metal Matrix Composite

    NASA Astrophysics Data System (ADS)

    Sreekumar, V. M.; Ravi, K. R.; Pillai, R. M.; Pai, B. C.; Chakraborty, M.

    2008-04-01

    The formation of Al2O3, MgAl2O4, and MgO has been widely studied in different Al base metal matrix composites, but the studies on thermodynamic aspects of the Al2O3/ MgAl2O4/MgO phase equilibria have been limited to few systems such as Al/Al2O3 and Al/SiC. The present study analyzes the Al2O3/MgAl2O4 and MgAl2O4/MgO equilibria with respect to the temperature and the Mg content in Al/SiO2 system using an extended Miedema model. There is a linear and parabolic variation in Mg with respect to the temperature for MgAl2O4/MgO and Al2O3/MgAl2O4 equilibria, respectively, and the influence of Si and Cu in the two equilibria is not appreciable. The experimental verification has been limited to MgAl2O4/MgO equilibria due to the high Mg content (≥0.5 wt pct) required for composite processing. The study has been carried out on two varieties of Al/SiO2 composites, i.e., Al/Silica gel and Al/Micro silica processed by liquid metallurgy route (stir casting route). MgO is found to be more stable compared to MgAl2O4 at Mg levels ≥5 and 1 wt pct in Al/Silica gel and Al/Micro silica composites, respectively, at 1073 K. MgO is also found to be more stable at lower Mg content (3 wt pct) in Al/Silica gel composite with decreasing particle size of silica gel from 180 micron to submicron and nanolevels. The MgO to MgAl2O4 transformation has taken place through a series of transition phases influenced by the different thermodynamic and kinetic parameters such as holding temperature, Mg concentration in the alloy, holding time, and silica particle size.

  8. TransCom N2O model inter-comparison, Part II: Atmospheric inversion estimates of N2O emissions

    NASA Astrophysics Data System (ADS)

    Thompson, R. L.; Ishijima, K.; Saikawa, E.; Corazza, M.; Karstens, U.; Patra, P. K.; Bergamaschi, P.; Chevallier, F.; Dlugokencky, E.; Prinn, R. G.; Weiss, R. F.; O'Doherty, S.; Fraser, P. J.; Steele, L. P.; Krummel, P. B.; Vermeulen, A.; Tohjima, Y.; Jordan, A.; Haszpra, L.; Steinbacher, M.; Van der Laan, S.; Aalto, T.; Meinhardt, F.; Popa, M. E.; Moncrieff, J.; Bousquet, P.

    2014-02-01

    This study examines N2O emission estimates from 5 different atmospheric inversion frameworks. The 5 frameworks differ in the choice of atmospheric transport model, meteorological data, prior uncertainties and inversion method but use the same prior emissions and observation dataset. The mean emissions for 2006 to 2008 are compared in terms of the spatial distribution and seasonality. Overall, there is a good agreement among the inversions for the mean global total emission, which ranges from 16.1 to 18.7 Tg N yr-1 and is consistent with previous estimates. Ocean emissions represent between 31% and 38% of the global total compared to widely varying previous estimates of 24% to 38%. Emissions from the northern mid to high latitudes are likely to be more important, with a consistent shift in emissions from the tropics and subtropics to the mid to high latitudes in the Northern Hemisphere; the emission ratio for 0-30° N to 30-90° N ranges from 1.5 to 1.9 compared with 2.9 to 3.0 in previous estimates. The largest discrepancies across inversions are seen for the regions of South and East Asia and for tropical and South America owing to the poor observational constraint for these areas and to considerable differences in the modelled transport, especially inter-hemispheric exchange rates and tropical convection. Estimates of the seasonal cycle in N2O emissions are also sensitive to errors in modelled stratosphere-to-troposphere transport in the tropics and southern extra-tropics. Overall, the results show a convergence in the global and regional emissions compared to previous independent studies.

  9. Simultaneous mapping of H 2O and H 2O 2 on Mars from infrared high-resolution imaging spectroscopy

    NASA Astrophysics Data System (ADS)

    Encrenaz, T.; Greathouse, T. K.; Richter, M. J.; Bézard, B.; Fouchet, T.; Lefèvre, F.; Montmessin, F.; Forget, F.; Lebonnois, S.; Atreya, S. K.

    2008-06-01

    New maps of martian water vapor and hydrogen peroxide have been obtained in November-December 2005, using the Texas Echelon Cross Echelle Spectrograph (TEXES) at the NASA Infra Red Telescope facility (IRTF) at Mauna Kea Observatory. The solar longitude L was 332° (end of southern summer). Data have been obtained at 1235-1243 cm -1, with a spectral resolution of 0.016 cm -1 ( R=8×10). The mean water vapor mixing ratio in the region [0°-55° S; 345°-45° W], at the evening limb, is 150±50 ppm (corresponding to a column density of 8.3±2.8 pr-μm). The mean water vapor abundance derived from our measurements is in global overall agreement with the TES and Mars Express results, as well as the GCM models, however its spatial distribution looks different from the GCM predictions, with evidence for an enhancement at low latitudes toward the evening side. The inferred mean H 2O 2 abundance is 15±10 ppb, which is significantly lower than the June 2003 result [Encrenaz, T., Bézard, B., Greathouse, T.K., Richter, M.J., Lacy, J.H., Atreya, S.K., Wong, A.S., Lebonnois, S., Lefèvre, F., Forget, F., 2004. Icarus 170, 424-429] and lower than expected from the photochemical models, taking in account the change in season. Its spatial distribution shows some similarities with the map predicted by the GCM but the discrepancy in the H 2O 2 abundance remains to be understood and modeled.

  10. OPTICAL PROPERTIES OF N-DOPED Cu2O THIN FILMS DEPOSITED BY RF-MAGNETRON SPUTTERING Cu2O TARGET

    NASA Astrophysics Data System (ADS)

    Lai, Guozhong; Wu, Yangwei; Lin, Limei; Qu, Yan; Lai, Fachun

    2014-05-01

    N-doped Cu2O films were deposited on quartz substrates by reactive magnetron sputtering a Cu2O target. The optical constants and thicknesses of the films with different nitrogen partial pressure (NPP) were retrieved from transmittance data by an optical model which combines the Forouhi-Bloomer model with modified Drude model. The results show that when NPP increases from 0.0 to 0.033 Pa, the optical gap decreases from 2.14 to 1.95 eV. Additionally, an optical absorption process in the infrared region below the optical band gap was observed for N-doped Cu2O films, which was not found in the pure Cu2O film. This is because an intermediate band (IB) in the band gap results from nitrogen doping. It is believed that N-doped Cu2O film with suitable NPP could be used to enhance the energy conversion efficiency for photovoltaic cells.

  11. Comparison of the frequencies of NH3, CO2, H2O, N2O, CO, and CH4 as infrared calibration standards

    NASA Technical Reports Server (NTRS)

    Brown, L. R.; Toth, R. A.

    1985-01-01

    The absolute accuracies of infrared calibration standards for the line positions have been investigated using a 0.0056-kayser-resolution (unapodized) Fourier-transform spectrum recorded from 550 to 5000 kayser. The spectrum has been obtained using a multicell arrangement containing the various molecular species. Detailed comoparisons reveal that standards for CO2, CH4, and N2O obtained from laser research and NH3 from Fourier-transform spectrometer research are consistent within the accuracies of the present data (+ or 0.0001 kayser). However, certain N2O, H2O, and CO values in the 1100-to 2300 kayser region are systematically high by 0.0001 to 0.0004 kayser. Correction factors for the H2O and CO standards are obtained to bring these into agreement with the laser values. In addition, corrected values for the 2nu-2 and nu-1 bands of N2O at 9 microns are reported.

  12. Nqrs Data for C8H5Li2O4.5 [C8H4Li2O4·1/2(H2O)] (Subst. No. 1059)

    NASA Astrophysics Data System (ADS)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C8H5Li2O4.5 [C8H4Li2O4·1/2(H2O)] (Subst. No. 1059)

  13. Comparative study of gamma ray shielding and some properties of PbO-SiO2-Al2O3 and Bi2O3-SiO2-Al2O3 glass systems

    NASA Astrophysics Data System (ADS)

    Singh, K. J.; Kaur, Sandeep; Kaundal, R. S.

    2014-03-01

    Gamma-ray shielding properties have been estimated in terms of mass attenuation coefficient, half value layer and mean free path values, whereas, structural studies have been performed in terms of density, optical band gap, glass transition temperature and longitudinal ultrasonic velocity parameters. X-ray diffraction, UV-visible, DSC and ultrasonic techniques have been used to explore the structural properties of PbO-SiO2-Al2O3 and Bi2O3-SiO2-Al2O3 glass systems.

  14. Energy transport in photoexcited crystals of K3[Tb(C2O4)3(H2O)].2H2O: Transfer from Tb3+ to Nd3+ and Eu3+

    NASA Astrophysics Data System (ADS)

    Kahwa, Ishenkumba A.; Parkes, Charmaine C.; McPherson, Gary L.

    1995-10-01

    The luminescence decay dynamics of Tb3+(5D4) and Eu(5D0) in triclinic (P1¯) crystalline K3[Ln(C2O4)3(H2O)].2H2O solids was studied between 10 and 298 K in order to establish the energy-transport characteristics. The luminescence decay rate of Tb3+ (740 s-1 for Ln=Tb3+) is temperature independent for the pure terbium complex; with introduction of Ln3+ dopants (e.g., Ln=Nd, Eu) faster decay rates which are temperature dependent are obtained. For the Eu3+ dopant, excitation buildup on the Eu3+(5D0) decay curve upon Tb3+(5D4) excitation confirms that energy transfer from Tb3+(5D4) to Ln3+ is active. The temperature dependence of the energy-transfer process in the K3[Eu0.83Tb0.17(C2O4)3(H2O)].2H2O mixed complex is well described by a relatively simple empirical expression based on Boltzmann's statistical dynamics of Eu3+ electronic energy among the 7FJ (J=0,1,2) terms. The limiting Eu3+-Tb3+ transfer rates are ~5.4×103 and 5.3×104 s-1 at 77 and 298 K, respectively. Energy migration on the terbium sublattice was confirmed by comparing Huber's [Phys. Rev. B 20, 2707 (1979)] trapping functions for K3[Eu0.4Tb0.6(C2O4)3(H2O)].2H2O and K3[Eu0.4Tb0.1Gd0.5(C2O4)3(H2O)].2H2O (Gd3+ serving as a scatterer for Tb3+ excitation). Although the structure of the complexes features a one-dimensional zigzag array of Ln3+ ions, energy transport is diffusive and not one dimensional.

  15. Electrodeposition and characterization of Ni-Y 2O 3 composite

    NASA Astrophysics Data System (ADS)

    Tian, Liangliang; Xu, Jincheng

    2011-06-01

    Nano-sized Y 2O 3 particles were codeposited with nickel by electrolytic plating from a nickel sulfate bath. The effects of the incorporated Y 2O 3 on the structure, morphology and mechanical properties (including microhardness, friction coefficient and wear resistant) of Ni-Y 2O 3 composite coatings were studied. It is observed that the addition of nano-sized Y 2O 3 particles shows apparent influence on the reduction potential and pH of the electrolyte. The incorporated Y 2O 3 increases from 1.56 wt.% to 4.4 wt.% by increasing the Y 2O 3 concentration in the plating bath from 20 to 80 g/l. XRD results reveal that the incorporated Y 2O 3 particles favour the crystal faces (2 0 0) and (2 2 0). SEM and AFM images demonstrate that the addition of Y 2O 3 particles causes a smooth and compact surface. The present study also shows that the codeposited Y 2O 3 particles in deposits decrease the friction coefficient and simultaneously reduce the wear weight loss. Ni-Y 2O 3 composite coatings reach their best microhardness and tribological properties at Y 2O 3 content 4.4 wt.% under the experiment conditions.

  16. Trapped charge densities in Al2O3-based silicon surface passivation layers

    NASA Astrophysics Data System (ADS)

    Jordan, Paul M.; Simon, Daniel K.; Mikolajick, Thomas; Dirnstorfer, Ingo

    2016-06-01

    In Al2O3-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al2O3 layers are grown by atomic layer deposition with very thin (˜1 nm) SiO2 or HfO2 interlayers or interface layers. In SiO2/Al2O3 and HfO2/Al2O3 stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured in pure Al2O3. In Al2O3/SiO2/Al2O3 or Al2O3/HfO2/Al2O3 stacks, very high total charge densities of up to 9 × 1012 cm-2 are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al2O3 layer thickness between silicon and the HfO2 or the SiO2 interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al2O3 layers opens the possibility to engineer the field-effect passivation in the solar cells.

  17. Novel microelectrode-based online system for monitoring N2O gas emissions during wastewater treatment.

    PubMed

    Marques, Ricardo; Oehmen, Adrian; Pijuan, Maite

    2014-11-01

    Clark-type nitrous oxide (N2O) microelectrodes are commonly used for measuring dissolved N2O levels, but have not previously been tested for gas-phase applications, where the N2O emitted from wastewater systems can be directly quantified. In this study, N2O microelectrodes were tested and validated for online gas measurements, and assessed with respect to their temperature, gas flow, composition dependence, gas pressure, and humidity. An exponential correlation between temperature and sensor signal was found, whereas gas flow, composition, pressure, and humidity did not have any influence on the signal. Two of the sensors were tested at different N2O concentration ranges (0-422.3, 0-50, 0-10, and 0-2 ppmv N2O) and exhibited a linear response over each range. The N2O emission dynamics from two laboratory scale sequencing batch reactors performing ammonia or nitrite oxidation were also monitored using one of the microsensors and results were compared with two other analytical methods. Results show that N2O emissions were accurately described with these microelectrodes and support their application for assessing gaseous N2O emissions from wastewater treatment systems. Advantages of the sensors as compared to conventional measurement techniques include a wider quantification range of N2O fluxes, and a single measurement system that can assess both liquid and gas-phase N2O dynamics. PMID:25317738

  18. [Effects of applying controlled release fertilizers on N2O emission from a lateritic red soil].

    PubMed

    Du, Ya-qin; Zheng, Li-xing; Fan, Xiao-lin

    2011-09-01

    Static closed chamber technique and contrast method were adopted to study the effects of three coated compound fertilizers (N:P2O5:K2O = 19:8.6:10.5, high N; 14.4:14.4:14.4, balanced NPK; and 12.5:9.6:20.2, high K) on the NO2O emission from a lateritic red soil under the condition of no crop planting, taking uncoated compound fertilizers (N:P2O5:K2O = 20:9:11, high N; 15:15:15, balanced NPK; and 13:10:21, high K) as the contrasts. Different formula of fertilizer NPK induced significant difference in the N2O emission. Under the application of uncoated compound fertilizers, the cumulative N2O emission was in the order of balanced NPK > or = high N > high K. Applying coated compound fertilizers decreased the N2O emission significantly, and the emission amount under the application of high N, balanced NPK, and high K was 34.4%, 30.5%, and 89.3% of the corresponding uncoated compound fertilizers, respectively. Comparing with the application of uncoated compound fertilizers, applying coated compound fertilizers also decreased the daily N2O flux significantly, and delayed and shortened the N2O peak, suggesting that coated fertilizers could reduce soil nitrogen loss and the global warming potential induced by N2O emission. PMID:22126050

  19. Isotopomer Analysis of N2O Produced During Waste Water Treatment

    NASA Astrophysics Data System (ADS)

    Toyoda, S.; Fujiwara, A.; Yoshida, N.

    2007-12-01

    Nitrous oxide (N2O) is an important trace gas in the atmosphere since it is radiatively active in the troposphere and also a precursor of nitric oxide which catalytically destroys ozone in the stratosphere. Isotopomer ratios (elemental N and O isotope ratios and site-specific N isotope ratios in asymmetric molecule of NNO) have been studied to understand its complex geochemical cycle. Microbial processes such as nitrification and denitrification are the largest N2O sources, and pure culture incubation studies showed that intramolecular 15N-site preference (SP) in N2O can differentiate the two N2O producing processes, hydroxylamine oxidation and nitrite reduction. However, there have been still few studies on N2O isotopomer ratios in complex bacterial systems. In this paper, we investigated the isotopomer ratios in N2O produced in waste water treatment system in order to evaluate characteristics of N2O emitted from human sewage and to understand N2O dynamics in microbial consortia (activated sludge). Water and gas samples were collected step by step in two different treatment systems in a sewage plant in Tokyo. High dissolved N2O concentration (up to 7600%\\ saturation) was observed in biological reaction tanks and isotopomer ratios confirmed active N2O production by microbes. Moreover, isotopomer ratios showed large variations throughout the whole treatment system and suggested that N2O is produced in settling and chlorination steps as well as biological reaction steps.

  20. Improvement of structural and electrical properties of Cu2O films with InN epilayers

    NASA Astrophysics Data System (ADS)

    Pan, Yang; Wang, Zheng; Peng, Ting; Wu, Kemin; Wu, Hao; Liu, Chang

    2011-11-01

    Epitaxial single crystalline Cu2O thin films were synthesized by thermal oxidation of Cu films, which were deposited on InN/sapphire using electron beam evaporation. Cu2O on InN shows a better crystalline quality than that on GaN due to a 30° in-plane rotation between Cu2O and InN, which results in a smaller lattice mismatch. As-oxidized Cu2O on GaN or on InN shows an n-type conducting behavior, however, as-oxidized Cu2O on InN presents a higher resistance and a lower electron concentration. A transition from n- to p-type is found after the Cu2O thin films are annealed at 500 °C in vacuum. A less Cu2+ absorption of the Cu2O/InN plays an important role to determine the conductive type.

  1. An unusual density evolution between SrCdB2O5 polymorphs.

    PubMed

    Zhang, Xingwen; Zhou, Zhengyang; Wu, Hongping; Pan, Shilie; Lei, Chen; Liu, Lu; Yang, Zhihua

    2015-09-28

    Owing to the effect of atomic vibrations, a high-temperature phase usually features a relatively smaller density when compared with a low-temperature phase. In this work, a new SrCdB2O5 phase has been discovered. According to the crystallization temperature from low to high, the new SrCdB2O5 phase can be regarded as the high-temperature β-SrCdB2O5 phase. The density of β-SrCdB2O5 is obviously larger than that of α-SrCdB2O5, meanwhile β-SrCdB2O5 is energetically favored. This unusual density evolution phenomenon has been investigated. In addition, the Pb(2+)-doped compounds, PbxSr1-xCdB2O5 (x = 0.125, 0.25, 0.375, 0.5), have also been investigated by powder refinement. PMID:26266583

  2. Transit of H2O2 across the endoplasmic reticulum membrane is not sluggish.

    PubMed

    Appenzeller-Herzog, Christian; Bánhegyi, Gabor; Bogeski, Ivan; Davies, Kelvin J A; Delaunay-Moisan, Agnès; Forman, Henry Jay; Görlach, Agnes; Kietzmann, Thomas; Laurindo, Francisco; Margittai, Eva; Meyer, Andreas J; Riemer, Jan; Rützler, Michael; Simmen, Thomas; Sitia, Roberto; Toledano, Michel B; Touw, Ivo P

    2016-05-01

    Cellular metabolism provides various sources of hydrogen peroxide (H2O2) in different organelles and compartments. The suitability of H2O2 as an intracellular signaling molecule therefore also depends on its ability to pass cellular membranes. The propensity of the membranous boundary of the endoplasmic reticulum (ER) to let pass H2O2 has been discussed controversially. In this essay, we challenge the recent proposal that the ER membrane constitutes a simple barrier for H2O2 diffusion and support earlier data showing that (i) ample H2O2 permeability of the ER membrane is a prerequisite for signal transduction, (ii) aquaporin channels are crucially involved in the facilitation of H2O2 permeation, and (iii) a proper experimental framework not prone to artifacts is necessary to further unravel the role of H2O2 permeation in signal transduction and organelle biology. PMID:26928585

  3. Effects of substrates on N2O emissions in an anaerobic ammonium oxidation (anammox) reactor.

    PubMed

    Jin, Yue; Wang, Dunqiu; Zhang, Wenjie

    2016-01-01

    N2O emission in the anaerobic ammonium oxidation (anammox) process is of growing concern. In this study, effects of substrate concentrations on N2O emissions were investigated in an anammox reactor. Extremely high N2O emissions of 1.67 % were led by high NH4-N concentrations. Results showed that N2O emissions have a positive correlation with NH4-N concentrations in the anammox reactor. Reducing NH4-N concentrations by recycling pump resulted in decreasing N2O emissions. In addition, further studies were performed to identify a key biological process that is contributed to N2O emissions from the anammox reactor. Based on the results obtained, Nitrosomonas, which can oxidize ammonia to nitrite, was deemed as the main sources of N2O emissions. PMID:27376009

  4. Ag/α-Fe2O3 hollow microspheres: Preparation and application for hydrogen peroxide detection

    NASA Astrophysics Data System (ADS)

    Kang, Xinyuan; Wu, Zhiping; Liao, Fang; Zhang, Tingting; Guo, Tingting

    2015-09-01

    In this paper, we demonstrated a simple approach for preparing α-Fe2O3 hollow spheres by mixing ferric nitrate aqueous and glucose in 180 °C. The glucose was found to act as a soft template in the process of α-Fe2O3 hollow spheres formation. Ag/α-Fe2O3 hollow nanocomposite was obtained under UV irradiation without additional reducing agents or initiators. Synthesized Ag/α-Fe2O3 hollow composites exhibited remarkable catalytic performance toward H2O2 reduction. The electrocatalytic activity mechanism of Ag/α-Fe2O3/GCE were discussed toward the reduction of H2O2 in this paper.

  5. Local structure around rare-earth ions in B2O3 glass at high pressure

    NASA Astrophysics Data System (ADS)

    Funabiki, Fuji; Matsuishi, Satoru; Hosono, Hideo

    2013-06-01

    Melt quenching of B2O3 with less than 25 mol. % rare-earth oxide (RE2O3) at ambient pressure results in a milky white glass because of liquid-liquid phase separation into B2O3 and RE2O3.3B2O phases. In contrast, we have found that melt quenching under GPa-order pressure realizes a transparent RE-doped B2O3 glass. This study investigates the local structure around the RE ions in the B2O3 glass prepared at 3 GPa using optical measurements and electron-spin-echo envelope modulation spectroscopy. It is shown that the RE-rich microparticles disappear and the RE ions are isolated from each other in a highly symmetric crystal field formed by triangular and tetrahedral boron units. This result is consistent with that extrapolated from the data for RE-doped sodium borate glasses.

  6. Hydrogen-bond-directed assemblies of [La(18-crown-6)(H2O)4](BiCl6)·3H2O and [Nd(18-crown-6)(H2O)4](BiCl6)·3.5H2O regulated by different symmetries

    NASA Astrophysics Data System (ADS)

    Zhang, Shi-Yong; Li, Jian; Zeng, Ying; Wen, He-Rui; Du, Zi-Yi

    2016-12-01

    The reactions of La2O3 or Nd2O3 with BiCl3 and 18-crown-6 in the presence of excessive hydrochloric acid afforded two ion-pair compounds, namely [La(18-crown-6)(H2O)4](BiCl6)·3H2O (1) and [Nd(18-crown-6)(H2O)4](BiCl6)·3.5H2O (2). Although these two compounds contain similar building blocks, they exhibit two distinct hydrogen-bonded networks, which are mainly induced by the slightly different geometries of their large-sized cationic [Ln(18-crown-6)(H2O)4]3+ components.

  7. Controlled synthesis and magnetic properties of bimagnetic spinel ferrite CoFe2O4 and MnFe2O4 nanocrystals with core-shell architecture.

    PubMed

    Song, Qing; Zhang, Z John

    2012-06-20

    A combination of hard phase CoFe(2)O(4) and soft phase MnFe(2)O(4) as the bimagnetic nanocrystals in a core-shell architecture has been synthesized, and their magnetic properties have been systematically studied. Both HRTEM and EDS results confirmed the formation of bimagnetic core-shell structured nanocrystals. On the basis of the systematic and comparative studies of the magnetic properties of a mechanical mixture of pure CoFe(2)O(4) and MnFe(2)O(4) nanocrystals, chemically mixed Co(1-x)Mn(x)Fe(2)O(4) nanocrystals, and bimagnetic core-shell CoFe(2)O(4)@MnFe(2)O(4) and MnFe(2)O(4)@CoFe(2)O(4) nanocrystals, the bimagnetic core-shell nanocrystals show very unique magnetic properties, such as the blocking temperature and coercivity. Our results show that the coercivity correlates with the volume fraction of the soft phase as the theoretical hard-soft phase model has suggested. Furthermore, switching the hard phase CoFe(2)O(4) from the core to the shell shows great changes in the coercivity of the nanocrystals. The bimagnetic core-shell nanocrystals evidently demonstrate the rational design capability to separately control the blocking temperature and the coercivity in magnetic nanocrystals by varying the materials, their combination, and the volume ratio between the core and the shell and by switching hard or soft phase materials between the core and shell. Such controls via a bimagnetic core-shell architecture are highly desirable for magnetic nanocrystals in various applications. PMID:22621435

  8. Synthesis crystal structure and ionic conductivity of Ca 0.5Bi 3V 2O 10 and Sr 0.5Bi 3V 2O 10

    NASA Astrophysics Data System (ADS)

    Porob, Digamber G.; Guru Row, T. N.

    2004-12-01

    Two new compounds Ca 0.5Bi 3V 2O 10 and Sr 0.5Bi 3V 2O 10 have been synthesized in the ternary system: MO-Bi 2O 3-V 2O 5 system ( M=M 2+). The crystal structure of Sr 0.5Bi 3V 2O 10 has been determined from single crystal X-ray diffraction data, space group P1¯ and Z=2, with cell parameters a=7.1453(3) Å, b=7.8921(3) Å, c=9.3297(3) Å, α=106.444(2)°, β=94.088(2)°, γ=112.445(2)°, V=456.72(4) Å 3. Ca 0.5Bi 3V 2O 10 is isostructural with Sr 0.5Bi 3V 2O 10, with, a=7.0810(2) Å, b=7.8447(2) Å, c=9.3607(2) Å, α=106.202(1)°, β=94.572(1)°, γ=112.659(1)°, V=450.38(2) Å 3 and its structure has been refined by Rietveld method using powder X-ray data. The crystal structure consists of infinite chains of (Bi 2O 2) along c-axis formed by linkage of BiO 8 and BiO 6 polyhedra interconnected by MO 8 polyhedra forming 2D layers in ac plane. The vanadate tetrahedra are sandwiched between these layers. Conductivity measurements give a maximum conductivity value of 4.54×10 -5 and 3.63×10 -5 S cm -1 for Ca 0.5Bi 3V 2O 10 and Sr 0.5Bi 3V 2O 10, respectively at 725 °C.

  9. Structure and thermal behaviour of ScK(C 2O 4) 2(H 2O) 2 and InRb 1- x(H 3O) x(C 2O 4) 2(H 2O) 2ṡ0.5(H 2O): Two members of a family of open-framework oxalates with isotypic helical structures and zeolite-like properties

    NASA Astrophysics Data System (ADS)

    Mahé, Nathalie; Audebrand, Nathalie

    2006-08-01

    Two new mixed oxalates with an open architecture, ScK(C 2O 4) 2(H 2O) 2 ( I) and InRb 0.77(H 3O) 0.23(C 2O 4) 2(H 2O) 2ṡ0.5(H 2O) ( II), have been synthesised from precipitation methods at ambient temperature. They crystallize in hexagonal system, space group P622 (No. 180), Z=3, with the following unit-cell parameters for I: a=8.8667(2) Å, c=11.4908(4) Å, V=782.36(4) Å, for II: a=9.0148(3) Å, c=11.4645(3) Å, V=806.86(4) Å. The two structures belong to a family of isotypic helical anionic open-frameworks built from square antiprismatic coordinated metals and bischelating oxalates. The counter-cations K + and Rb +/H 3O + are located in the tunnels of the framework. The thermal decomposition process has demonstrated zeolite-like properties associated with weakly-bonded water molecules located in the voids of the framework.

  10. Differential regulation of TRPV1 channels by H2O2: implications for diabetic microvascular dysfunction

    PubMed Central

    DelloStritto, Daniel J.; Connell, Patrick J.; Dick, Gregory M.; Fancher, Ibra S.; Klarich, Brittany; Fahmy, Joseph N.; Kang, Patrick T.; Chen, Yeong-Renn; Damron, Derek S.; Thodeti, Charles K.

    2016-01-01

    We demonstrated previously that TRPV1-dependent coupling of coronary blood flow (CBF) to metabolism is disrupted in diabetes. A critical amount of H2O2 contributes to CBF regulation; however, excessive H2O2 impairs responses. We sought to determine the extent to which differential regulation of TRPV1 by H2O2 modulates CBF and vascular reactivity in diabetes. We used contrast echocardiography to study TRPV1 knockout (V1KO), db/db diabetic, and wild type C57BKS/J (WT) mice. H2O2 dose-dependently increased CBF in WT mice, a response blocked by the TRPV1 antagonist SB366791. H2O2-induced vasodilation was significantly inhibited in db/db and V1KO mice. H2O2 caused robust SB366791-sensitive dilation in WT coronary microvessels; however, this response was attenuated in vessels from db/db and V1KO mice, suggesting H2O2-induced vasodilation occurs, in part, via TRPV1. Acute H2O2 exposure potentiated capsaicin-induced CBF responses and capsaicin-mediated vasodilation in WT mice, whereas prolonged luminal H2O2 exposure blunted capsaicin-induced vasodilation. Electrophysiology studies re-confirms acute H2O2 exposure activated TRPV1 in HEK293A and bovine aortic endothelial cells while establishing that H2O2 potentiate capsaicin-activated TRPV1 currents, whereas prolonged H2O2 exposure attenuated TRPV1 currents. Verification of H2O2-mediated activation of intrinsic TRPV1 specific currents were found in isolated mouse coronary endothelial cells from WT mice and decreased in endothelial cells from V1KO mice. These data suggest prolonged H2O2 exposure impairs TRPV1-dependent coronary vascular signaling. This may contribute to microvascular dysfunction and tissue perfusion deficits characteristic of diabetes. PMID:26907473

  11. Interfacial tension between immiscible melts in the system K2O - FeO - Fe2O3 - Al2O3 - SiO2

    NASA Astrophysics Data System (ADS)

    Kaehn, J.; Veksler, I. V.; Franz, G.; Dingwell, D. B.

    2009-12-01

    Interfacial tension is a very important parameter of the kinetics of phase nucleation, dissolution and growth. Excess surface energy contributes to the energy barrier for phase nucleation, and works as the main driving force for minimization of phase contact surfaces in heterogeneous systems. Immiscible silicate melts have been found to form in a broad range of basaltic, dacitic and rhyolitic magmas (Philpotts, 1982). However, liquid-liquid interfaces remain poorly studied in comparison with crystal-melt and vapor-melt interfaces. Here we present first experimental measurements of interfacial tension between synthetic Fe-rich and silica-rich immiscible melts composed of Fe oxides, K2O, alumina and silica. According to Naslund (1983), the miscibility gap in the 5-oxide system expands with increasing fO2 and becomes widest in air (fO2 = 0.2). Our goal was to estimate the maximal liquid-liquid interfacial tension for the immiscible liquids composed of silica and Fe oxides. Therefore, we have chosen the most contrasting liquid compositions that coexist in air at and above 1465 °C. Silica-rich and Fe-rich conjugate liquids at these conditions contain 73 and 17 wt. % SiO2, and 14 and 80 wt. % FeOt, respectively. These starting compositions were synthesized by fusion of reagent-grade oxides and K2CO3 at 1600 °C. In addition to interfacial tension, we have measured density and surface tension of individual coexisting liquids. All the measurements were done at 1500, 1527 and 1550 °C. Density was measured by the Archimedean method; surface and interfacial tensions were calculated from the maximal pool on a vertical cylinder (a 3-mm Pt rod attached to a high precision balance). We found interfacial tension between the immiscible liquids to decrease with increasing temperature from 16.4±2 mN/m at 1500 °C to 8.2±0.8 mN/m at 1550 °C. These values are approximately 2 orders of magnitude lower than typical interfacial tensions between silicate melts and crystals (Wanamaker

  12. La2O2CO3 Encapsulated La2O3 Nanoparticles Supported on Carbon as Superior Electrocatalysts for Oxygen Reduction Reaction.

    PubMed

    Gu, Weiwei; Liu, Jingjun; Hu, Mingan; Wang, Feng; Song, Ye

    2015-12-01

    Constructing nanoscale hybrid materials with unique interfacial structures by using various metal oxides and carbon supports as building blocks are of great importance to develop highly active, economical hybrid catalysts for oxygen reduction reaction (ORR). In this work, La2O2CO3 encapsulated La2O3 nanoparticles on a carbon black (La2O2CO3@La2O3/C) were fabricated via chemical precipitation in an aqueous solution containing different concentrations of cetyltrimethyl ammonium bromide (CTAB), followed by calcination at 750 °C. At a given CTAB concentration 24.8 mmol/L, the obtained lanthanum compound nanoparticles reach the smallest particle size (7.1 nm) and are well-dispersed on the carbon surface. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) results demonstrate the formation of La2O2CO3 located on the surface of La2O3 nanoparticles in the hybrid. The synthesized La2O2CO3@La2O3/C hybrid exhibits a significantly enhanced electrocatalytic activity in electrocatalysis experiments relative to pure La2O3, La2O2CO3, and carbon in an alkaline environment, by using the R(R)DE technique. Moreover, its long-term stability also outperforms that obtained by commercial Pt/C catalysts (E-TEK). The exact origin of the fast ORR kinetics is mainly ascribed to the La2O2CO3 layer sandwiched at the interface of carbon and La2O3, which contributes favorable surface-adsorbed hydroxide (-OH(-)(ad)) substitution and promotes active oxygen adsorption at the interfaces. The unique covalent -C-O-C(═O)-O-La-O- bonds, formed at the interfaces between La2O2CO3 and carbon, can act as active sites for the improved ORR kinetics over this hybrid catalyst. Therefore, the fabrication of lanthanum compound-based hybrid material with an unique interfacial structure maybe open a new way to develop carbon-supported metal oxides as next-generation of ORR catalysts. PMID:26619261

  13. Photoelectron spectroscopic study of the hydrated nucleoside anions: Uridine-(H2O)n=0-2, cytidine-(H2O)n=0-2, and thymidine-(H2O)n=0,1

    NASA Astrophysics Data System (ADS)

    Li, Xiang; Wang, Haopeng; Bowen, Kit H.

    2010-10-01

    The hydrated nucleoside anions, uridine-(H2O)n=0-2, cytidine-(H2O)n=0-2, and thymidine-(H2O)n=0,1, have been prepared in beams and studied by anion photoelectron spectroscopy in order to investigate the effects of a microhydrated environment on parent nucleoside anions. Vertical detachment energies (VDEs) were measured for all eight anions, and from these, estimates were made for five sequential anion hydration energies. Excellent agreement was found between our measured VDE value for thymidine-(H2O)1 and its calculated value in the companion article by S. Kim and H. F. Schaefer III.

  14. Understanding hydrothermal transformation from Mn2O3 particles to Na0.55Mn2O4·1.5H2O nanosheets, nanobelts, and single crystalline ultra-long Na4Mn9O18 nanowires

    PubMed Central

    Park, Yohan; Woo Lee, Sung; Kim, Ki Hyeon; Min, Bong-Ki; Kumar Nayak, Arpan; Pradhan, Debabrata; Sohn, Youngku

    2015-01-01

    Manganese oxides are one of the most valuable materials for batteries, fuel cells and catalysis. Herein, we report the change in morphology and phase of as-synthesized Mn2O3 by inserting Na+ ions. In particular, Mn2O3 nanoparticles were first transformed to 2 nm thin Na0.55Mn2O4·1.5H2O nanosheets and nanobelts via hydrothermal exfoliation and Na cation intercalation, and finally to sub-mm ultra-long single crystalline Na4Mn9O18 nanowires. This paper reports the morphology and phase-dependent magnetic and catalytic (CO oxidation) properties of the as-synthesized nanostructured Na intercalated Mn-based materials. PMID:26667348

  15. High-pressure Synchrotron X-ray Diffraction Study of the Pyrochlores Ho2Ti2O7 Y2Ti2O7 and Tb2Ti2O7

    SciTech Connect

    P Scott; A Midgley; O Musaev; D Muthu; S Singh; R Suryanarayanan; A Revcolevschi; A Sood; M Kruger

    2011-12-31

    Synchrotron-based X-ray diffraction was used to study the phase diagrams and determine the compressibilities of the pyrochlore rare-earth titanates Ho{sub 2}Ti{sub 2}O{sub 7}, Y{sub 2}Ti{sub 2}O{sub 7} and Tb{sub 2}Ti{sub 2}O{sub 7} to {approx}50 GPa. The bulk moduli of the cubic phase of these materials were calculated to be 213 {+-} 2, 204 {+-} 3 and 199 {+-} 1 GPa, respectively. The onset of a structural phase change from cubic to monoclinic was observed near 37, 42 and 39 GPa, respectively. The bulk modulus for the high pressure monoclinic phase of Y{sub 2}Ti{sub 2}O{sub 7} has been determined to be 185 {+-} 3 GPa.

  16. Technetium incorporation into hematite (alpha-Fe2O3).

    PubMed

    Skomurski, Frances N; Rosso, Kevin M; Krupka, Kenneth M; McGrail, B Pete

    2010-08-01

    Quantum-mechanical methods were used to evaluate mechanisms for possible structural incorporation of Tc species into the model iron oxide, hematite (alpha-Fe2O3). Using periodic supercell models, energies for charge-neutral incorporation of Tc4+ or TcO4- ions were calculated using either a Tc4+/Fe2+ substitution scheme on the metal sublattice, or by insertion of TcO4- as an interstitial species within a hypothetical vacancy cluster. Although pertechnetate incorporation is found to be invariably unfavorable, incorporation of small amounts of Tc4+ (at least 2.6 wt %) is energetically feasible. Energy minimized bond distances around this impurity are provided to aid in future spectroscopic identification of these impurity species. The calculations also show that Fe2+ and Tc4+ prefer to cluster in the hematite lattice, attributed to less net Coulombic repulsion relative to that of Fe3+-Fe3+. These modeling predictions are generally consistent with observed selective association of Tc with iron oxide under reducing conditions, and in residual waste solids from underground storage tanks at the U.S. Department of Energy Hanford Site (Washington, U.S.). Here, even though relatively high pH and oxidizing conditions are dominant, Tc incorporation into iron oxides and (oxy)hydroxides is prospectively enabled by prior reduction of TcO4- to Tc4+ via interaction with radiolytic species. PMID:20666557

  17. Vanadium magnetoelectric multipoles in V2O3

    NASA Astrophysics Data System (ADS)

    Lovesey, S. W.; Fernández-Rodríguez, J.; Blanco, J. A.; Sivia, D. S.; Knight, K. S.; Paolasini, L.

    2007-01-01

    We establish the contributions made by the vanadium anapole, and other magnetoelectric multipoles, to the electron ground state of V2O3 in its antiferromagnetic modification. To this end, observations made by resonant x-ray Bragg diffraction are analyzed in terms of a scattering amplitude derived within the atomic model. The amplitude is a coherent sum of E1-E2 and E2-E2 resonance events that is fully compliant with the established chemical (I2/a) and magnetic space groups. One set of values for the V multipoles are found to give a totally satisfactory account of all data collected at two space-group forbidden Bragg reflections in the two polarization channels σ'σ and π'σ ( σ primary polarization, and σ' and π' secondary polarizations). Derived estimates of the V anapole (E1-E2) and V octupole (E2-E2) are good to within a few percent, and the E1-E2 event alone is shown not to adequately describe the diffraction data.

  18. The thermodynamic properties of hydrated -Al2O3 nanoparticles

    SciTech Connect

    Spencer, Elinor; Huang, Baiyu; Parker, Stewart F.; Kolesnikov, Alexander I; Ross, Dr. Nancy; Woodfield, Brian

    2013-01-01

    In this paper we report a combined calorimetric and inelastic neutron scattering (INS) study of hydrated -Al2O3 ( -alumina) nanoparticles. These complementary techniques have enabled a comprehensive evaluation of the thermodynamic properties of this technological and industrially important metal oxide to be achieved. The isobaric heat capacity (Cp) data presented herein provide further critical insights into the much-debated chemical composition of -alumina nanoparticles. Furthermore, the isochoric heat capacity (Cv) of the surface water, which is so essential to the stability of all metal-oxides at the nanoscale, has been extracted from the high-resolution INS data and differs significantly from that of ice Ih due to the dominating influence of strong surface-water interactions. This study also encompassed the analysis of four -alumina samples with differing pore diameters [4.5 (1), 13.8 (2), 17.9 (3), and 27.2 nm (4)], and the results obtained allow us to unambiguously conclude that the water content and pore size have no influence on the thermodynamic behaviour of hydrated -alumina nanoparticles.

  19. Instabilities of coupled Cu2O5 ladders

    NASA Astrophysics Data System (ADS)

    Schuetz, Florian; Marston, Brad

    2008-03-01

    The spin-ladder compound Sr14-xCaxCu24O41 has a complex phase diagram including charge-density-wave order as well as unconventional superconductivity under high pressure. Due to its quasi-one-dimensional natureootnotetextS. Lee, J. B. Marston, J. O. Fjaerestad, Phys. Rev. B 72, 075126. fundamental questions about the high-Tc cuprates might be more easily addressed in this context. However, due to the spatial proximity of neighboring ladders inter-ladder Coulomb repulsion as well as hopping between ladders might still be important. Using the functional renormalization groupootnotetextM. Salmhofer and C. Honerkamp, Prog. Theor. Physics 105, 1 (2001). and an analysis of generalized susceptibilities ootnotetextD. Zanchi and H. J. Schulz, Phys. Rev. B 61, 13609 (2000); C. J. Halboth and W. Metzner, Phys. Rev. Lett. 85, 5162 (2000)., we study a model of coupled Cu2O5 ladders ootnotetextK. Wohlfeld, A. M. Oles, and G. A. Sawatzky, Phys. Rev. B 75, 180501(R) (2007).. We investigate instabilities towards charge, spin, and pairing order as a function of hole doping, inter-ladder hopping, and interaction strength starting from experimentally relevant hopping parametersootnotetextT. F. A. Müller, et al., Phys. Rev. B 57, R12655 (1998)..