In-situ BrO measurements in the upper troposphere / lower stratosphere. Validation of the ENVISAT satellite measurements and photochemical model studies

Energy Technology Data Exchange (ETDEWEB)

Hrechanyy, S.

2007-04-15

and SCOUT-O3 in the 15-20 km altitude regime are at the low side of comparable DOAS measurements a CLaMS study of the evolution of Bry from the source gases has been carried out. For this purpose an ensemble of trajectories rising from the lower troposphere to the TTL within 6 to more than 90 days were initialized with observed mixing ratios in the boundary layer of all important organic bromine source gases and the free-up of Bry by chemical and photochemical reactions was simulated. Bromoform, CHBr3, was found to be the main source of inorganic bromine at the tropopause. The derived tropospheric lifetime of bromoform is 33 days. The modelled BrO mixing ratio at the tropopause (less than 2.5 pptv) is consistent with HALOX measurements which do not detect significant amounts of BrO there (<1-2 pptv). Therefore measurements of more than 4 pptv (as retrieved from SCIAMACHY) can only be explained trough processes not included in the model. (orig.)

Retrieval of stratospheric and tropospheric BrO profiles and columns using ground-based zenith-sky DOAS observations at Harestua, 60° N

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J. A. Pyle

2007-09-01

Full Text Available A profiling algorithm based on the optimal estimation method is applied to ground-based zenith-sky UV-visible measurements from Harestua, Southern Norway (60° N, 11° E in order to retrieve BrO vertical profiles. The sensitivity of the zenith-sky observations to the tropospheric BrO detection is increased by using for the spectral analysis a fixed reference spectrum corresponding to clear-sky noon summer conditions. The information content and retrieval errors are characterized and it is shown that the retrieved stratospheric profiles and total columns are consistent with correlative balloon and satellite observations, respectively. Tropospheric BrO columns are derived from profiles retrieved at 80° solar zenith angle during sunrise and sunset for the 2000–2006 period. They show a marked seasonality with mean column value ranging from 1.52±0.62×1013 molec/cm² in late winter/early spring to 0.92±0.38×1013 molec/cm² in summer, which corresponds to 1.0±0.4 and 0.6±0.2 pptv, respectively, if we assume that BrO is uniformly mixed in the troposphere. These column values are also consistent with previous estimates made from balloon, satellite, and other ground-based observations. Daytime (10:30 LT tropospheric BrO columns are compared to the p-TOMCAT 3-D tropospheric chemical transport model (CTM for the 2002–2003 period. p-TOMCAT shows a good agreement with the retrieved columns except in late winter/early spring where an underestimation by the model is obtained. This finding could be explained by the non-inclusion of sea-ice bromine sources in the current version of p-TOMCAT. Therefore the model cannot reproduce the possible transport of air-masses with enhanced BrO concentration due to bromine explosion events from the polar region to Harestua. The daytime stratospheric BrO columns are compared to the SLIMCAT stratospheric 3-D-CTM. The model run used in this study, which assumes 21.2 pptv for the Bry loading (15 pptv for long

The chemistry of bromine in the stratosphere: Influence of a new rate constant for the reaction BrO + HO2

Science.gov (United States)

Pirre, Michel; Marceau, Francois J.; Lebras, Georges; Maguin, Francoise; Poulet, Gille; Ramaroson, Radiela

1994-01-01

The impact of new laboratory data for the reaction BrO + HO2 yields HOBr + O2 in the depletion of global stratospheric ozone has been estimated using a one-dimensional photochemical model taking into account the heterogeneous reaction on sulphate aerosols which converts N2O5 into HNO3. Assuring an aerosol loading 2 times as large as the 'background' and a reaction probability of 0.1 for the above heterogeneous reaction, the 6 fold increase in the measured rate constant for the reaction of BrO with HO2 increases the computed depletion of global ozone produced by 20 ppt of total bromine from 2.01 percent to 2.36 percent. The use of the higher rate constant increases the HOBr mixing ratio and makes the bromine partitioning and the ozone depletion very sensitive to the branching ratio of the potential channel forming HBr in the BrO + HO2 reaction.

Pathways for the OH + Br2 → HOBr + Br and HOBr + Br → HBr + BrO Reactions.

Science.gov (United States)

Wang, Hongyan; Qiu, Yudong; Schaefer, Henry F

2016-02-11

The OH radical reaction with Br2 and the subsequent reaction HOBr + Br are of exceptional importance to atmospheric chemistry and environmental chemistry. The entrance complex, transition state, and exit complex for both reactions have been determined using the coupled-cluster method with single, double, and perturbative triple excitations CCSD(T) with correlation consistent basis sets up to size cc-pV5Z and cc-pV5Z-PP. Coupled cluster effects with full triples (CCSDT) and full quadruples (CCSDTQ) are explicitly investigated. Scalar relativistic effects, spin-orbit coupling, and zero-point vibrational energy corrections are evaluated. The results from the all-electron basis sets are compared with those from the effective core potential (ECP) pseudopotential (PP) basis sets. The results are consistent. The OH + Br2 reaction is predicted to be exothermic 4.1 ± 0.5 kcal/mol, compared to experiment, 3.9 ± 0.2 kcal/mol. The entrance complex HO···BrBr is bound by 2.2 ± 0.2 kcal/mol. The transition state lies similarly well below the reactants OH + Br2. The exit complex HOBr···Br is bound by 2.7 ± 0.6 kcal/mol relative to separated HOBr + Br. The endothermicity of the reaction HOBr + Br → HBr + BrO is 9.6 ± 0.7 kcal/mol, compared with experiment 8.7 ± 0.3 kcal/mol. For the more important reverse (exothermic) HBr + BrO reaction, the entrance complex BrO···HBr is bound by 1.8 ± 0.6 kcal/mol. The barrier for the HBr + BrO reaction is 6.8 ± 0.9 kcal/mol. The exit complex (Br···HOBr) for the HBr + BrO reaction is bound by 1.9 ± 0.2 kcal/mol with respect to the products HOBr + Br.

Characteristics of tropospheric ozone depletion events in the Arctic spring: analysis of the ARCTAS, ARCPAC, and ARCIONS measurements and satellite BrO observations

Directory of Open Access Journals (Sweden)

J.-H. Koo

2012-10-01

Full Text Available Arctic ozone depletion events (ODEs are caused by halogen catalyzed ozone loss. In situ chemistry, advection of ozone-poor air mass, and vertical mixing in the lower troposphere are important factors affecting ODEs. To better characterize the ODEs, we analyze the combined set of surface, ozonesonde, and aircraft in situ measurements of ozone and bromine compounds during the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS, the Aerosol, Radiation, and Cloud Processes affecting Arctic Climate (ARCPAC, and the Arctic Intensive Ozonesonde Network Study (ARCIONS experiments (April 2008. Tropospheric BrO columns retrieved from satellite measurements and back trajectory calculations are also used to investigate the characteristics of observed ODEs. In situ observations from these field experiments are inadequate to validate tropospheric BrO columns derived from satellite measurements. In view of this difficulty, we construct an ensemble of tropospheric column BrO estimates from two satellite (OMI and GOME-2 measurements and with three independent methods of calculating stratospheric BrO columns. Furthermore, we select analysis methods that do not depend on the absolute magnitude of column BrO, such as time-lagged correlation analysis of ozone and tropospheric column BrO, to understand characteristics of ODEs. Time-lagged correlation analysis between in situ (surface and ozonesonde measurements of ozone and satellite derived tropospheric BrO columns indicates that the ODEs are due to either local halogen-driven ozone loss or short-range (∼1 day transport from nearby regions with ozone depletion. The effect of in situ ozone loss is also evident in the diurnal variation difference between low (10th and 25th percentiles and higher percentiles of surface ozone concentrations at Alert, Canada. Aircraft observations indicate low-ozone air mass transported from adjacent high-BrO regions. Correlation analyses of ozone

Airborne Measurements of BrO and the Sum of HOBr and Br2 over the Tropical West Pacific from 1 to 15 Km During the CONvective TRansport of Active Species in the Tropics (CONTRAST) Experiment

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Chen, Dexian; Huey, L. Gregory; Tanner, David J.; Salawitch, Ross J.; Anderson, Daniel C.; Wales, Pamela A.; Pan, Laura L.; Atlas, Elliot L.; Hornbrook, Rebecca S.; Apel, Eric C.;

A theoretical study of the atmospherically important radical-radical reaction BrO + HO2; the product channel O2(a1Δg) + HOBr is formed with the highest rate.

Science.gov (United States)

Chow, Ronald; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

2016-11-09

A theoretical study has been made of the BrO + HO 2 reaction, a radical-radical reaction which contributes to ozone depletion in the atmosphere via production of HOBr. Reaction enthalpies, activation energies and mechanisms have been determined for five reaction channels. Also rate coefficients have been calculated, in the atmospherically important temperature range 200-400 K, for the two channels with the lowest activation energies, both of which produce HOBr: (R1a) HOBr(X 1 A') + O 2 (X 3 Σ) and (R1b) HOBr(X 1 A') + O 2 (a 1 Δ g ). The other channels considered are: (R2) BrO + HO 2 → HBr + O 3 , (R3) BrO + HO 2 → OBrO + OH and (R4) BrO + HO 2 → BrOO + OH. For all channels, geometry optimization and frequency calculations were carried out at the M06-2X/AVDZ level, while relative energies of the stationary points on the reaction surface were improved at a higher level (BD(TQ)/CBS or CCSD(T)/CBS). The computed standard reaction enthalpies (ΔH) for channels (R1a), (R1b), (R2), (R3) and (R4) are -47.5, -25.0, -4.3, 14.9 and 5.9 kcal mol -1 , and the corresponding computed activation energies (ΔE) are 2.53, -3.07, 11.83, 35.0 and 37.81 kcal mol -1 . These values differ significantly from those obtained in earlier work by Kaltsoyannis and Rowley (Phys. Chem. Chem. Phys., 2002, 4, 419-427), particularly for channel (R1b), and reasons for this are discussed. In particular, the importance of obtaining an open-shell singlet wavefunction, rather than a closed-shell singlet wavefunction, for the transition state of this channel is emphasized. Rate coefficient calculations from computed potential energy surfaces were made for BrO + HO 2 for the first time. Although channel (R1a) is the most exothermic, channel (R1b) has the lowest barrier height, which is negative (at -3.07 kcal mol -1 ). Most rate coefficient calculations were therefore made for (R1b). A two transition state model has been used, involving an outer and an inner transition state. The inner transition

Transport Properties of the Organic Conductor (TMTSF)2BrO4: Evidence of Variable Range Hopping

DEFF Research Database (Denmark)

Mortensen, Kell; Jacobsen, Claus Schelde; Bechgaard, Klaus

1984-01-01

A study of d.c. and microwave conductivity and thermoelectric power of the organic conductor (TMTSF)2BrO4 is presented. The transport properties are in qualitative agreement with charge transport via variable-range hopping among localized states. The localization is attributed to the anions, which...

Structural Basis for Endosomal Targeting by the Bro1 Domain

Science.gov (United States)

Kim, Jaewon; Sitaraman, Sujatha; Hierro, Aitor; Beach, Bridgette M.; Odorizzi, Greg; Hurley, James H.

2010-01-01

Summary Proteins delivered to the lysosome or the yeast vacuole via late endosomes are sorted by the ESCRT complexes and by associated proteins, including Alix and its yeast homolog Bro1. Alix, Bro1, and several other late endosomal proteins share a conserved 160 residue Bro1 domain whose boundaries, structure, and function have not been characterized. The crystal structure of the Bro1 domain of Bro1 reveals a folded core of 367 residues. The extended Bro1 domain is necessary and sufficient for binding to the ESCRT-III subunit Snf7 and for the recruitment of Bro1 to late endosomes. The structure resembles a boomerang with its concave face filled in and contains a triple tetratricopeptide repeat domain as a substructure. Snf7 binds to a conserved hydrophobic patch on Bro1 that is required for protein complex formation and for the protein-sorting function of Bro1. These results define a conserved mechanism whereby Bro1 domain-containing proteins are targeted to endosomes by Snf7 and its orthologs. PMID:15935782

Remote sensing of volcanic CO2, HF, HCl, SO2, and BrO in the downwind plume of Mt. Etna

Science.gov (United States)

Butz, André; Solvejg Dinger, Anna; Bobrowski, Nicole; Kostinek, Julian; Fieber, Lukas; Fischerkeller, Constanze; Giuffrida, Giovanni Bruno; Hase, Frank; Klappenbach, Friedrich; Kuhn, Jonas; Lübcke, Peter; Tirpitz, Lukas; Tu, Qiansi

2017-01-01

Remote sensing of the gaseous composition of non-eruptive, passively degassing volcanic plumes can be a tool to gain insight into volcano interior processes. Here, we report on a field study in September 2015 that demonstrates the feasibility of remotely measuring the volcanic enhancements of carbon dioxide (CO2), hydrogen fluoride (HF), hydrogen chloride (HCl), sulfur dioxide (SO2), and bromine monoxide (BrO) in the downwind plume of Mt. Etna using portable and rugged spectroscopic instrumentation. To this end, we operated the Fourier transform spectrometer EM27/SUN for the shortwave-infrared (SWIR) spectral range together with a co-mounted UV spectrometer on a mobile platform in direct-sun view at 5 to 10 km distance from the summit craters. The 3 days reported here cover several plume traverses and a sunrise measurement. For all days, intra-plume HF, HCl, SO2, and BrO vertical column densities (VCDs) were reliably measured exceeding 5 × 1016, 2 × 1017, 5 × 1017, and 1 × 1014 molec cm-2, with an estimated precision of 2.2 × 1015, 1.3 × 1016, 3.6 × 1016, and 1.3 × 1013 molec cm-2, respectively. Given that CO2, unlike the other measured gases, has a large and well-mixed atmospheric background, derivation of volcanic CO2 VCD enhancements (ΔCO2) required compensating for changes in altitude of the observing platform and for background concentration variability. The first challenge was met by simultaneously measuring the overhead oxygen (O2) columns and assuming covariation of O2 and CO2 with altitude. The atmospheric CO2 background was found by identifying background soundings via the co-emitted volcanic gases. The inferred ΔCO2 occasionally exceeded 2 × 1019 molec cm-2 with an estimated precision of 3.7 × 1018 molec cm-2 given typical atmospheric background VCDs of 7 to 8 × 1021 molec cm-2. While the correlations of ΔCO2 with the other measured volcanic gases confirm the detection of volcanic CO2 enhancements, correlations were found of variable

Bombyx mori nucleopolyhedrovirus nucleic acid binding proteins BRO-B and BRO-E associate with host T-cell intracellular antigen 1 homologue BmTRN-1 to influence protein synthesis during infection.

Science.gov (United States)

Kotani, Eiji; Muto, Sayaka; Ijiri, Hiroshi; Mori, Hajime

2015-07-01

Previous reports have indicated that the Bombyx mori nucleopolyhedrovirus (BmNPV) nucleic acid binding proteins BRO-B and BRO-E are expressed during the early stage of infection and that the BRO family likely supports the regulation of mRNA; however, no study has directly examined the function of BRO family proteins in virus-permissive cells. Here, we show that BRO-B and BRO-E associate with cellular T-cell intracellular antigen 1 homologue (BmTRN-1), a translational regulator, and other cellular translation-related proteins in silkworm cells during viral infection. We created BM-N cells that expressed BRO-B/E to study molecular interactions between BmTRN-1 and BRO-B/E and how they influenced protein synthesis. Fluorescent microscopy revealed that BmTRN-1 was localized in cytoplasmic foci during BmNPV infection. Immunofluorescence studies confirmed that BmTRN-1 and BRO-B/E were colocalized in the amorphous conspicuous cytoplasmic foci. Reporter gene studies revealed that co-expression of BRO-B/E synergistically led to a significant decrease in protein synthesis from a designed transcript carrying the 5'untranslated region of a cellular mRNA with no significant change of transcript abundance. Additionally, RNA interference-mediated knockdown of BmTRN-1 resulted in a marked inhibition of the ability of BRO-B/E to regulate the transcript. These results suggested that the association of BmTRN-1 with BRO-B/E is responsible for the inhibitory regulation of certain mRNAs at the post-transcriptional level and add an additional mechanism for how baculoviruses control protein synthesis during infection.

Periodic changes in the oxidation states of the center ion in the cobalt-histidine complex induced by the BrO3- - SO32- pH-oscillator

Science.gov (United States)

Kurin-Csörgei, Krisztina; Poros, Eszter; Csepiova, Julianna; Orbán, Miklós

2018-05-01

The coupling of acid-base type pH-dependent equilibria to pH-oscillators expanded significantly the number and type of species which can participate in oscillatory chemical processes. Here, we report a new version of oscillatory phenomena that can appear in coupled oscillators. Oscillations in the oxidation states of the center ion bound in a chelate complex were generated in a combined system, when the participants of the oscillator as dynamical unit and the components of the complex formation interacted with each other through redox reaction. It was demonstrated, when the BrO3- - SO32- pH-oscillator and the Co2+ - histidine complex were mixed in a continuous stirred tank reactor, periodic changes in the pH were accompanied with periodic transitions in the oxidation number of the cobalt ion between +2 and +3. The oscillatory build up and removal of the Co(III)-complex were followed by recording the light absorption at the wavelength characteristic for this species with simultaneous monitoring the pH-oscillations. The dual role of the SO32- ion in the explanation of this observation was pointed out. Its partial and consecutive total oxidations by BrO3- give rise to and maintain sustained pH-oscillations in the combined system and its presence induces the rapid conversion of the Co2+ to a highly inert Co(III)-histidine chelate when the system jumps to and remains in the high pH-state. The oscillatory cycle is completed when the Co(III)-complex is washed out from the reactor and the reagents are replenished by the flow during the time the system spends in the acidic range of pH. The idea, to couple a core oscillator to an equilibrium through a redox reaction that takes place between the constituents of the oscillator and the target species of the linked subsystem, may be generally used to bring about forced oscillations in many other combined chemical systems.

An i.r. investigation on some calcium aluminate hydrates, Ca2Al(OH)6+X-.yH2O (= 3CaO.Al2O3.CaX2.nH2O, X- = univalent anion)

NARCIS (Netherlands)

Houtepen, C.J.M.; Stein, H.N.

1976-01-01

The i.r. spectra of some hydrated and dehydrated calcium aluminate hydrates of the type Ca2Al(OH)6+X-·yH2O with X- = Cl-, Br-, J-, ClO3-, NO3-, ClO4- (y = 2) and X- = BrO3-, JO3- (2

Long-Term Observations of Atmospheric CO2, O3 and BrO over the Transitioning Arctic Ocean Pack-ice: The O-Buoy Chemical Network

Science.gov (United States)

Matrai, P.

2016-02-01

Autonomous, sea ice-tethered O-Buoys have been deployed (2009-2016) across the Arctic sea ice for long-term atmospheric measurements (http://www.o-buoy.org). O-Buoys (15) provide in-situ concentrations of three sentinel atmospheric chemicals, ozone, CO2 and BrO, as well as meteorological parameters and imagery, over the frozen ocean. O-Buoys were designed to transmit daily data over a period of 2 years while deployed in sea ice, as part of automated ice-drifting stations that include snow/ice measurement systems (e.g. Ice Mass Balance buoys) and oceanographic measurements (e.g. Ice Tethered Profilers). Seasonal changes in Arctic atmospheric chemistry are influenced by changes in the characteristics and presence of the sea ice vs. open water as well as air mass trajectories, especially during the winter-spring and summer-fall transitions when sea ice is melting and freezing, respectively. The O-Buoy Chemical Network provides the unique opportunity to observe these transition periods in real-time with high temporal resolution, and to compare them with those collected on land-based monitoring stations located. Due to the logistical challenges of measurements over the Arctic Ocean region, most long term, in-situ observations of atmospheric chemistry have been made at coastal or island sites around the periphery of the Arctic Ocean, leaving large spatial and temporal gaps that O-Buoys overcome. Advances in floatation, communications, power management, and sensor hardware have been made to overcome the challenges of diminished Arctic sea ice. O-Buoy data provide insights into enhanced seasonal, interannual and spatial variability in atmospheric composition, atmospheric boundary layer control on the amount of halogen activation, enhancement of the atmospheric CO2 signal over the more variable and porous pack ice, and to develop an integrated picture of the coupled ocean/ice/atmosphere system. As part of the Arctic Observing Network, we provide data to the community (www.aoncadis.org).

The 1988 Arctic Survey, Diurnal Study (Sunrise and Sunset) and Peak Altitude (22 km) Flights for the In Situ Detection of ClO and BrO from the NASA ER-2 Aircraft

Science.gov (United States)

Anderson, James G.

1996-01-01

Two critical areas of research were addressed successfully by this research. The first involves NASA ER-2 airborne observations of ClO and BrO radical destruction of ozone within the arctic vortex. The second involves the analysis of diurnal variations in ClO, to test the production and loss rates of ClO that constitutes the test for coupling reactions between the chlorine and nitrogen systems. We discuss results from this research in order.

Poly[[aqua(μ2-4,4′-bipyridine-κ2N:N′[μ3-3-bromo-2-(carboxylatomethylbenzoato-κ3O1:O1′:O2]cadmium] monohydrate

Directory of Open Access Journals (Sweden)

Yangmei Liu

2012-08-01

Full Text Available In the title compound, {[Cd(C9H5BrO4(C10H8N2(H2O]·H2O}n, the CdII atom has a distorted octahedral coordination geometry. Two N atoms from two 4,4′-bipyridine (bipy ligands occupy the axial positions, while the equatorial positions are furnished by three carboxylate O atoms from three 3-bromo-2-(carboxylatomethylbenzoate (bcb ligands and one O atom from a water molecule. The bipy and bcb ligands link the CdII atoms into a three-dimensional network. O—H...O hydrogen bonds and π–π interactions between the pyridine and benzene rings [centroid–centroid distance = 3.736 (4 Å] are present in the crystal.

A large-scale intercomparison of stratospheric vertical distributions of NO2 and BrO retrieved from the SCIAMACHY limb measurements and ground-based twilight observations

Science.gov (United States)

Rozanov, Alexei; Hendrick, Francois; Lotz, Wolfhardt; van Roozendael, Michel; Bovensmann, Heinrich; Burrows, John P.

This study is devoted to the intercomparison of NO2 and BrO vertical profiles obtained from the satellite and ground-based measurements. Although, the ground-based observations are performed only at selected locations, they have a great potential to be used for the validation of satellite measurements since continuous long-term measurement series performed with the same instruments are available. Thus, long-term trends in the observed species can be analyzed and intercompared. Previous intercomparisons of the vertical distributions of NO2 and BrO retrieved from SCIAMACHY limb measurements at the University of Bremen and obtained at IASB-BIRA by applying a profiling technique to ground-based zenith-sky DOAS observations have shown a good agreement between the results of completely different measurement techniques. However, only a relatively short time period of one year was analyzed so far which do not allow investigating seasonal variations and trends. Furthermore, some minor discrepancies are still to be analyzed. In the current study, several years datasets obtained at Observatoire de Haute-Provence (OHP) in France and in Harestua in Norway will be compared to the retrievals of SCIAMACHY limb measurements. Seasonal and annual variations will be analyzed and possible reasons for the remaining discrepancies will be discussed.

Chlorination of tyrosyl residues in peptides and proteins by hypochlorous acid

International Nuclear Information System (INIS)

Kettle, A.J.; Chapman, A.L.P.; Senthilmohan, R.; Vile, G.F.; Chai, L.L.

1998-01-01

Full text: Hypochlorous acid (HOCI) is the major strong oxidant produced by neutrophils. These granulocytic cells use HOCI to kill bacteria and it is also proposed to promote inflammation. Previously, it was shown that HOCI converts tyrosyl residues in proteins to 3-chlorotyrosine. This chlorinated molecule is an ideal biomarker for determining the precise roles HOCI plays in bacterial killing and inflammatory tissue damage. We have investigated the reaction of HOCI with tyrosyl residues in peptides and proteins to establish whether or not chlorinated products in addition to 3-chlorotyrosine are formed. When 200μM HOCI was added to 500μg/ml of bovine serum albumin both 3-chlorotyrosine and 3,5-dichlorotyrosine were formed. The monochlorinated amino acid was the predominant product and its formation was complete by 20 minutes whereas levels of 3,5-dichlorotyrosine continued to increase for up to an hour. Amounts of both chlorinated products increased with increasing concentrations of HOCI until a plateau was reached at about 800μM. At all concentrations of HOCI a substantial amount of the tyrosine that had reacted was unaccounted for as either 3-chlorotyrosine or 3,5-dichlorotyrosine. Similar results were obtained with small peptides containing tyrosine. Sub-stoichiometric concentrations of HOCI converted tyrosyl residues in GGYR to 3-chlorotyrosine. At higher concentrations of HOCI, chlorination was rapid and both 3-chlorotyrosine and 3,5-dichlorotyrosine were produced but they accounted for less than 50% of the products. To identify the additional products of the reaction, we reacted HOCI with tyrosine analogues including N-acetyltyrosine, phydroxyphenylacetic acid, and 4-propylphenol. Separation of the reaction mixture by HPLC revealed that numerous products were formed besides mono and dichlorinated derivatives of the parent compounds. Analysis of the products by gas chromatography/mass spectrometry strongly indicated that mono and dichlorinated

The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release

Energy Technology Data Exchange (ETDEWEB)

Sette, Paola; Mu, Ruiling; Dussupt, Vincent; Jiang, Jiansheng; Snyder, Greg; Smith, Patrick; Xiao, Tsan Sam; Bouamr, Fadila (NIH)

2011-12-07

Alix and cellular paralogs HD-PTP and Brox contain N-terminal Bro1 domains that bind ESCRT-III CHMP4. In contrast to HD-PTP and Brox, expression of the Bro1 domain of Alix alleviates HIV-1 release defects that result from interrupted access to ESCRT. In an attempt to elucidate this functional discrepancy, we solved the crystal structures of the Bro1 domains of HD-PTP and Brox. They revealed typical 'boomerang' folds they share with the Bro1 Alix domain. However, they each contain unique structural features that may be relevant to their specific function(s). In particular, phenylalanine residue in position 105 (Phe105) of Alix belongs to a long loop that is unique to its Bro1 domain. Concurrently, mutation of Phe105 and surrounding residues at the tip of the loop compromise the function of Alix in HIV-1 budding without affecting its interactions with Gag or CHMP4. These studies identify a new functional determinant in the Bro1 domain of Alix.

Surface modification of η-Al{sub 2}O{sub 3} by SiO{sub 2} impregnation to enhance methanol dehydration activity

Energy Technology Data Exchange (ETDEWEB)

Jo, Ho Yong; Park, Jin Won [Dept. of Chemistry and Biomolecular Engineering, Yonsei University, Seoul (Korea, Republic of); Jung, Heon; Jung, Kwang Deog [Clean Energy Research Center, Korea Institute of Science and Technology, Seoul (Korea, Republic of)

2017-03-15

Silica impregnated η-Al{sub 2}O{sub 3} catalysts (Si(number)Al) were prepared for methanol dehydration, with the number indicating the Si wt % added to η-Al{sub 2}O{sub 3}. The Si(0.25)Al and Si(0.50)Al catalysts with the greatest number of acid sites had the highest methanol dehydration activities among the prepared catalysts. Si addition up to 0.5 wt % increased the number of the acid sites, which was slightly decreased by further Si addition. The number of weak acid sites correlated well with the catalytic activity for methanol dehydration, but was not enough to explain the higher activity of the catalysts containing silica compared with η-Al{sub 2}O{sub 3}. The acid sites of the Si(1.0)Al catalyst were less than those of the η-Al{sub 2}O{sub 3} catalyst but the two had similar activity. Si addition primarily increased the Lewis acid sites, although it generated a few new BrO. With Strokensted acid sites and chemical hydrogen bonded sites. Nonetheless, it was apparent that the increase of Lewis acid sites was the main reason for the enhancement of η-Al{sub 2}O{sub 3} activity by SiO{sub 2} addition. On the other hand, the new BrO. With Strokensted and Lewis acid sites and the chemical hydrogen bonded sites created by Si addition should not be neglected.

Bromate Reduction by Iron(II during Managed Aquifer Recharge: A Laboratory-Scale Study

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Feifei Wang

2018-03-01

Full Text Available The removal of bromate (BrO3− as a byproduct of ozonation in subsequent managed aquifer recharge (MAR systems has so far gained little attention. This preliminary study with anoxic batch experiments was executed to explore the feasibility of chemical BrO3− reduction in Fe-reducing zones of MAR systems and to estimate potential inhibition by NO3−. Results show that the reaction rate was affected by initial Fe2+/BrO3− ratios and by pH. The pH dropped significantly due to the hydrolysis of Fe3+ to hydrous ferric oxide (HFO flocs. These HFO flocs were found to adsorb Fe2+, especially at high Fe2+/BrO3− ratios, whereas at low Fe2+/BrO3− ratios, the mass sum loss of BrO3− and Br− indicated intermediate species formation. Under MAR conditions with relatively low BrO3− and Fe2+ concentrations, BrO3− can be reduced by naturally occurring Fe2+, as the extensive retention time in MAR systems will compensate for the slow reaction kinetics of low BrO3− and Fe2+ concentrations. Under specific flow conditions, Fe2+ and NO3− may co-occur during MAR, but NO3− hardly competes with BrO3−, since Fe2+ prefers BrO3− over NO3−. However, it was found that when NO3− concentration exceeds BrO3− concentration by multiple orders of magnitude, NO3− may slightly inhibit BrO3− reduction by Fe2+.

Formation of bromate and halogenated disinfection byproducts during chlorination of bromide-containing waters in the presence of dissolved organic matter and CuO

KAUST Repository

Liu, Chao; Croue, Jean-Philippe

2015-01-01

Previous studies showed that significant bromate (BrO3-) can be formed via the CuO-catalyzed disproportionation of hypobromous acid (HOBr) pathway. In this study, the influence of CuO on the formation of BrO3- and halogenated disinfection byproducts (DBPs) (e.g., trihalomethanes, THMs and haloacetic acids, HAAs) during chlorination of six dissolved organic matter (DOM) isolates was investigated. Only in the presence of slow reacting DOM (from treated Colorado River water, i.e., CRW-BF-HPO), significant BrO3- formation is observed, which competes with bromination of DOM (i.e., THM and HAA formation). Reactions between HOBr and 12 model compounds in the presence of CuO indicates that CuO-catalyzed HOBr disproportionation is completely inhibited by fast reacting phenols, while it predominates in the presence of practically unreactive compounds (acetone, butanol, propionic, and butyric acids). In the presence of slow reacting di- and tri-carboxylic acids (oxalic, malonic, succinic, and citric acids), BrO3- formation varies, depending on its competition with bromoform and dibromoacetic acid formation (i.e., bromination pathway). The latter pathway can be enhanced by CuO due to the activation of HOBr. Therefore, increasing CuO dose (0-0.2 g L-1) in a reaction system containing chlorine, bromide, and CRW-BF-HPO enhances the formation of BrO3-, total THMs and HAAs. Factors including pH and initial reactant concentrations influence the DBP formation. These novel findings have implications for elevated DBP formation during transportation of chlorinated waters in copper-containing distribution systems.

Formation of bromate and halogenated disinfection byproducts during chlorination of bromide-containing waters in the presence of dissolved organic matter and CuO

KAUST Repository

Liu, Chao

2015-12-02

Previous studies showed that significant bromate (BrO3-) can be formed via the CuO-catalyzed disproportionation of hypobromous acid (HOBr) pathway. In this study, the influence of CuO on the formation of BrO3- and halogenated disinfection byproducts (DBPs) (e.g., trihalomethanes, THMs and haloacetic acids, HAAs) during chlorination of six dissolved organic matter (DOM) isolates was investigated. Only in the presence of slow reacting DOM (from treated Colorado River water, i.e., CRW-BF-HPO), significant BrO3- formation is observed, which competes with bromination of DOM (i.e., THM and HAA formation). Reactions between HOBr and 12 model compounds in the presence of CuO indicates that CuO-catalyzed HOBr disproportionation is completely inhibited by fast reacting phenols, while it predominates in the presence of practically unreactive compounds (acetone, butanol, propionic, and butyric acids). In the presence of slow reacting di- and tri-carboxylic acids (oxalic, malonic, succinic, and citric acids), BrO3- formation varies, depending on its competition with bromoform and dibromoacetic acid formation (i.e., bromination pathway). The latter pathway can be enhanced by CuO due to the activation of HOBr. Therefore, increasing CuO dose (0-0.2 g L-1) in a reaction system containing chlorine, bromide, and CRW-BF-HPO enhances the formation of BrO3-, total THMs and HAAs. Factors including pH and initial reactant concentrations influence the DBP formation. These novel findings have implications for elevated DBP formation during transportation of chlorinated waters in copper-containing distribution systems.

Effective removal of bromate in nitrate-reducing anoxic zones during managed aquifer recharge for drinking water treatment: Laboratory-scale simulations.

Science.gov (United States)

Wang, Feifei; van Halem, Doris; Ding, Lei; Bai, Ying; Lekkerkerker-Teunissen, Karin; van der Hoek, Jan Peter

2018-03-01

The removal of bromate (BrO 3 - ) as a by-product of ozonation in subsequent managed aquifer recharge (MAR) systems, specifically in anoxic nitrate (NO 3 - )-reducing zones, has so far gained little attention. In this study, batch reactors and columns were used to explore the influence of NO 3 - and increased assimilable organic carbon (AOC) due to ozonation pre-treatment on BrO 3 - removal in MAR systems. 8 m column experiments were carried out for 10 months to investigate BrO 3 - behavior in anoxic NO 3 - -reducing zones of MAR systems. Anoxic batch experiments showed that an increase of AOC promoted microbial activity and corresponding BrO 3 - removal. A drastic increase of BrO 3 - biodegradation was observed in the sudden absence of NO 3 - in both batch reactors and columns, indicating that BrO 3 - and NO 3 - competed for biodegradation by denitrifying bacteria and NO 3 - was preferred as an electron acceptor under the simultaneous presence of NO 3 - and BrO 3 - . However, within 75 days' absence of NO 3 - in the anoxic column, BrO 3 - removal gradually decreased, indicating that the presence of NO 3 - is a precondition for denitrifying bacteria to reduce BrO 3 - in NO 3 - -reducing anoxic zones. In the 8 m anoxic column set-up (retention time 6 days), the BrO 3 - removal achieved levels as low as 1.3 μg/L, starting at 60 μg/L (98% removal). Taken together, BrO 3 - removal is likely to occur in vicinity of NO 3 - -reducing anoxic zones, so MAR systems following ozonation are potentially effective to remove BrO 3 - . Copyright © 2017. Published by Elsevier Ltd.

The BRO proteins of Bombyx mori nucleopolyhedrovirus are nucleocytoplasmic shuttling proteins that utilize the CRM1-mediated nuclear export pathway

International Nuclear Information System (INIS)

Kang, Won Kyung; Kurihara, Masaaki; Matsumoto, Shogo

2006-01-01

The BRO proteins of Bombyx mori nucleopolyhedrovirus (BmNPV) display a biphasic pattern of intracellular localization during infection. At early times, they reside in the nucleus but then show both cytoplasmic and nuclear localization as the infection proceeds. Therefore, we examined the possibility of nuclear export. Using inhibitors, we reveal that BmNPV BRO proteins shuttle between the nucleus and cytoplasm. Mutations on the leucine-rich region of BRO proteins resulted in nuclear accumulation of transiently expressed proteins, suggesting that this region functions as a CRM1-dependent nuclear export signal (NES). On the contrary, mutant BRO-D with an altered NES did not show nuclear accumulation in infected cells, although protein production seemed to be reduced. RT-PCR analysis showed that the lower level of protein production was due to a reduction in RNA synthesis. Taken together, our results suggest that BRO proteins are nucleocytoplasmic shuttling proteins that utilize the CRM1-mediated nuclear export pathway

Adsorption characteristics of trace levels of bromate in drinking water by modified bamboo-based activated carbons.

Science.gov (United States)

Chen, Ho-Wen; Chuang, Yen Hsun; Hsu, Cheng-Feng; Huang, Winn-Jung

2017-09-19

This study was undertaken to investigate the adsorption kinetics and isotherms of bromate (BrO 3 - ) on bamboo charcoals that are activated with nitrogen and water vapor. Bamboo-based activated carbon (AC) was dipped in acid and oxidized in a mixture of potassium permanganate and sulfuric acid. Oxidation treatment considerably improved the physicochemical properties of AC, including purity, pore structure and surface nature, significantly enhancing BrO 3 - adsorption capacity. AC with many oxygenated groups and a high mesopore volume exhibited a particularly favorable tendency for BrO 3 - adsorption. Its adsorption of BrO 3 - is best fitted using Langmuir isotherm, and forms a monolayer. A kinetic investigation revealed that the adsorption of BrO 3 - by the ACs involved chemical sorption and was controlled by intra-particle diffusion. The competitive effects of natural organic matter (NOM) on AC were evaluated, and found to reduce the capacity of carbon to adsorb BrO 3 - . Residual dissolved ozone reacted with AC, reducing its capacity to absorb BrO 3 - . Proper dosing and staging of the ozonation processes can balance the ozone treatment efficiency, BrO 3 - formation, and the subsequent removal of BrO 3 - .

The Biomedical Resource Ontology (BRO) to enable resource discovery in clinical and translational research.

Science.gov (United States)

Tenenbaum, Jessica D; Whetzel, Patricia L; Anderson, Kent; Borromeo, Charles D; Dinov, Ivo D; Gabriel, Davera; Kirschner, Beth; Mirel, Barbara; Morris, Tim; Noy, Natasha; Nyulas, Csongor; Rubenson, David; Saxman, Paul R; Singh, Harpreet; Whelan, Nancy; Wright, Zach; Athey, Brian D; Becich, Michael J; Ginsburg, Geoffrey S; Musen, Mark A; Smith, Kevin A; Tarantal, Alice F; Rubin, Daniel L; Lyster, Peter

2011-02-01

The biomedical research community relies on a diverse set of resources, both within their own institutions and at other research centers. In addition, an increasing number of shared electronic resources have been developed. Without effective means to locate and query these resources, it is challenging, if not impossible, for investigators to be aware of the myriad resources available, or to effectively perform resource discovery when the need arises. In this paper, we describe the development and use of the Biomedical Resource Ontology (BRO) to enable semantic annotation and discovery of biomedical resources. We also describe the Resource Discovery System (RDS) which is a federated, inter-institutional pilot project that uses the BRO to facilitate resource discovery on the Internet. Through the RDS framework and its associated Biositemaps infrastructure, the BRO facilitates semantic search and discovery of biomedical resources, breaking down barriers and streamlining scientific research that will improve human health. Copyright © 2010 Elsevier Inc. All rights reserved.

Rejection of Bromide and Bromate Ions by a Ceramic Membrane.

Science.gov (United States)

Moslemi, Mohammadreza; Davies, Simon H; Masten, Susan J

2012-12-01

Effects of pH and the addition of calcium chloride (CaCl(2)) on bromate (BrO(3) (-)) and bromide (Br(-)) rejection by a ceramic membrane were investigated. Rejection of both ions increased with pH. At pH 8, the rejection of BrO(3) (-) and Br(-) was 68% and 63%, respectively. Donnan exclusion appears to play an important role in determining rejection of BrO(3) (-) and Br(-). In the presence of CaCl(2), rejection of BrO(3) (-) and Br(-) ions was greatly reduced, confirming the importance of electrostatic interactions in determining rejection of BrO(3) (-) and Br(-). The effect of Ca(2+) is so pronounced that in most natural waters, rejection of both BrO(3) (-) and Br(-) by the membrane would be extremely small.

Enhanced bromate formation during chlorination of bromide-containing waters in the presence of CuO: Catalytic disproportionation of hypobromous acid

KAUST Repository

Liu, Chao

2012-10-16

Bromate (BrO3 -) in drinking water is traditionally seen as an ozonation byproduct from the oxidation of bromide (Br-), and its formation during chlorination is usually not significant. This study shows enhanced bromate formation during chlorination of bromide-containing waters in the presence of cupric oxide (CuO). CuO was effective to catalyze hypochlorous acid (HOCl) or hypobromous acid (HOBr) decay (e.g., at least 104 times enhancement for HOBr at pH 8.6 by 0.2 g L-1 CuO). Significant halate concentrations were formed from a CuO-catalyzed hypohalite disproportionation pathway. For example, the chlorate concentration was 2.7 ± 0.2 μM (225.5 ± 16.7 μg L-1) after 90 min for HOCl (Co = 37 μM, 2.6 mg L-1 Cl2) in the presence of 0.2 g L-1 CuO at pH 7.6, and the bromate concentration was 6.6 ± 0.5 μM (844.8 ± 64 μg L -1) after 180 min for HOBr (Co = 35 μM) in the presence of 0.2 g L-1 CuO at pH 8.6. The maximum halate formation was at pHs 7.6 and 8.6 for HOCl or HOBr, respectively, which are close to their corresponding pKa values. In a HOCl-Br--CuO system, BrO3 - formation increases with increasing CuO doses and initial HOCl and Br- concentrations. A molar conversion (Br - to BrO3 -) of up to (90 ± 1)% could be achieved in the HOCl-Br--CuO system because of recycling of Br - to HOBr by HOCl, whereas the maximum BrO3 - yield in HOBr-CuO is only 26%. Bromate formation is initiated by the formation of a complex between CuO and HOBr/OBr-, which then reacts with HOBr to generate bromite. Bromite is further oxidized to BrO3 - by a second CuO-catalyzed process. These novel findings may have implications for bromate formation during chlorination of bromide-containing drinking waters in copper pipes. © 2012 American Chemical Society.

Removal of bromide and bromate from drinking water using granular activated carbon.

Science.gov (United States)

Zhang, Yong-Qing; Wu, Qing-Ping; Zhang, Ju-Mei; Yang, Xiu-Hua

2015-03-01

Granular activated carbon (GAC) was used to remove bromide (Br⁻) and bromate (BrO(3)(-)) from drinking water in both bench- and pilot-scale experiments. The present study aims to minimize BrO(3)(-) formation and eliminate BrO(3)(-) generated during the ozonation of drinking water, particularly in packaged drinking water. Results show that the Br⁻ and BrO(3)(-) levels in GAC-treated water decreased in both bench- and pilot-scale experiments. In the bench-scale experiments, when the empty bed contact time (EBCT) was 5 min, the highest reduction rates of Br(-) in the mineral and ultrapure water were found to be 74.9% and 91.2%, respectively, and those of BrO(3)(-) were 94.4% and 98.8%, respectively. The GAC capacity for Br⁻ and BrO(3)(-) removal increased with the increase in EBCT. Reduction efficiency was better in ultrapure water than in mineral water. In the pilot-scale experiments, the minimum reduction rates of Br⁻ and BrO(3)(-) were 38.5% and 73.2%, respectively.

1-O-Acetyl-3,4,6-tri-O-benzyl-2-C-bromomethyl-2-deoxy-α-d-glucopyranose

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Henok H. Kinfe

2013-01-01

Full Text Available In the title compound, C30H33BrO6, the pyranose ring adopts a chair conformation. Two of the O-benzyl phenyl rings lie almost perpendicular to C/C/C/O plane formed by the ring atoms not attached to these O-benzyl phenyl rings, and form dihedral angles of 85.1 (2 and 64.6 (2°, while the third O-benzyl phenyl ring is twisted so that it makes a dihedral angle 34.9 (2° to this C/C/C/O plane. This twist is ascribed to the formation of an S(8 loop stabilized by a weak intramolecular C—H...O hydrogen bond.

Correction of inaccuracies to article of Stanisław Brożek, „Does Polish soil classification, V edition, refer to all soils in our country“ published in the Soil Science Annual, vol. 63 no. 3/2012: 49–56

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Marcinek Jerzy

2014-03-01

Full Text Available The paper presents correction of inaccuracies to the article entitled .Does Polish soil classification, V edition, refer to all soils in our country. by Stanisław Brożek published in Soil Science Annual, vol. 63, No. 3/2012: 49.56. The article of Stanisław Brożek is not a discussion paper but only a collection of numerous remarks, mostly non-professional, on .Polish soil classification. ed. 5, 2011 (SgP5. Since the article of Stanisław Brożek contains a lot of mistakes and inaccuracies arising from misunderstanding merits of a soil classification, as well as SgP5‘s text assessed, therefore in our paper wider merits discussion has not been taken. Correction of the erroneous statements of Author which relate to SgP5 were shown instead. Moreover, this paper is necessary as the Author is not a specialist in the field of soil classification, and his article was published in a pedological scientific journal.

An overview of advanced reduction processes for bromate removal from drinking water: Reducing agents, activation methods, applications and mechanisms.

Science.gov (United States)

Xiao, Qian; Yu, Shuili; Li, Lei; Wang, Ting; Liao, Xinlei; Ye, Yubing

2017-02-15

Bromate (BrO 3 - ) is a possible human carcinogen regulated at a strict standard of 10μg/L in drinking water. Various techniques to eliminate BrO 3 - usually fall into three main categories: reducing bromide (Br - ) prior to formation of BrO 3 - , minimizing BrO 3 - formation during the ozonation process, and removing BrO 3 - from post-ozonation waters. However, the first two approaches exhibit low degradation efficiency and high treatment cost. The third workaround has obvious advantages, such as high reduction efficiency, more stable performance and easier combination with UV disinfection, and has therefore been widely implemented in water treatment. Recently, advanced reduction processes (ARPs), the photocatalysis of BrO 3 - , have attracted much attention due to improved performance. To increase the feasibility of photocatalytic systems, the focus of this work concerns new technological developments, followed by a summary of reducing agents, activation methods, operational parameters, and applications. The reaction mechanisms of two typical processes involving UV/sulfite homogeneous photocatalysis and UV/titanium dioxide heterogeneous photocatalysis are further summarized. The future research needs for ARPs to reach full-scale potential in drinking water treatment are suggested accordingly. Copyright © 2016. Published by Elsevier B.V.

Ion Chromatographic Method with Post-Column Fuchsin Reaction for Measurement of Bromate in Chlorinated Water

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Homer C. Genuino

2009-06-01

Full Text Available An ion chromatographic method that employs a post-column reaction with fuchsin and spectrophotometric detection was optimized for measuring bromate (BrO3- in water. BrO3- is converted to Br2 by sodium metabisulfite and then reacted with acidic fuchsin to form a red-colored product that strongly absorbs at 530 nm. The reaction of BrO3- and fuchsin reagent is optimum at pH 3.5 and 65 oC. The method has a limit of quantitation of 4.5 µg L-1 and is linear up to 150 µg L-1 BrO3-. Recoveries from spiked samples were high ranging from 95 to 102 % using external standard calibration and 87 to 103 % using standard addition method. Intra-batch and inter-batch reproducibility studies of the method resulted to RSD values ranging from 0.62 to 2.01 % and percent relative error of 0.12 to 2.94 % for BrO3- concentrations of 10 µg L-1 and 50 µg L-1. This method is free of interferences from common inorganic anions at levels typically found in chlorinated tap drinking water without preconcentration. The optimized method can be applied to trace analysis of bromate in chlorinated tap drinking water samples.

Laboratory Studies of Stratospheric Bromine Chemistry: Kinetics of the Reactions of Bromine Monoxide with Nitrogen Dioxide and Atomic Oxygen.

Science.gov (United States)

Thorn, Robert Peyton, Jr.

A laser flash photolysis - long path absorption technique has been employed to study the kinetics of the reaction rm BrO + NO_2 + M{k _{16}atopto} products as a function of temperature (248-346 K), pressure (16 -800 Torr), and buffer gas identity (rm N _2,CF_4). 351 nm photolysis of rm NO_2/Br_2/N_2 mixtures generated BrO. The BrO decay in the presence of excess NO_2 was followed by UV absorption at 338.3 nm. The reaction is in the falloff regime between third and second order over the entire range of conditions investigated. This is the first study where temperature dependent measurements of k_{16} (P,T) have been reported at pressures greater than 12 Torr; hence, these results help constrain choices of k_{16}(P,T) for use in modeling stratospheric BrO_{rm x} chemistry. The kinetics of the important stratospheric reaction rm BrO+O(^3P)_sp{to }{k_{14}}Br+O_2 in N_2 buffer gas have been studied as a function of temperature (233-328 K) and pressure (25 -150 Torr) using a novel dual laser flash photolysis/long path absorption/resonance fluorescence technique. 248 nm pulsed laser photolysis of rm Br_2/O _3/N_2 mixtures produces O atoms in excess over Br_2. After a delay sufficient for BrO to be generated, a 532 nm laser pulse photolyses a small fraction of the O_3 to generate O(^3P). The decay of O(^3P) in the presence of an excess, known concentration of BrO, as determined by UV absorption at 338.3 nm and by numerical simulation, is then followed by time-resolved atomic resonance fluorescence spectroscopy. The experimental results have shown the reaction kinetics to be independent of pressure, to increase with decreasing temperature, and to be faster than suggested by the only previous (indirect) measurement. The resulting Anhenius expression for k_{14}(T) is given below.rm k_{14 }(T) = 1.64times 10^{-11} exp (263/T) cm^3 molecule ^{-1} s^{-1} The absolute accuracy of k_{14 }(T) at any temperature within the range studied is estimated to be +/-25%. Possible kinetic

Electrochemical behavior and assembly of tetranuclear Dawson-derived sandwich compound [Cd4(H2O)2(As2W15O56)2]16- on 4-aminobenzoic acid modified glassy carbon electrode

International Nuclear Information System (INIS)

Bi Lihua; Shen Yan; Jiang Junguang; Wang Erkang; Dong Shaojun

2005-01-01

The transition metal-substituted heteropolyoxoanion, Cd 4 (H 2 O) 2 (As 2 W 15 O 56 ) 2 12- (As 4 W 30 Cd 4 ), is one of the trivacant Dawson derivatives. Its redox electrochemistry has been studied in acid buffer solutions using cyclic voltammetry. It exhibited three steps of four-electron redox waves attributed to redox processes of the tungsten-oxo framework. Through layer-by-layer assembly, the compound was first successfully immobilized on a 4-aminobenzoic acid modified glassy carbon electrode surface by alternate deposition with a quaternized poly(4-vinylpyridine) partially complexed with [Os(bpy) 2 Cl] 2+/+ (denoted as QPVP-Os). Thus, prepared multilayer films have been characterized by cyclic voltammetry (CV), X-ray photoelectron spectroscopy (XPS) and UV-vis spectroscopy (UV-vis). The electrocatalytic activities of the multilayer films containing As 4 W 30 Cd 4 have been investigated on the reduction of three substrates of important analytical interests, NO 2 - , BrO 3 - and IO 3 - . And with the increase of the number of As 4 W 30 Cd 4 layers, the catalytic current towards the reduction of BrO 3 - was enhanced and the catalytic potential shifted positively

Treatment of Aqueous Bromate by Superparamagnetic BiOCl-Mediated Advanced Reduction Process

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Xiaowei Liu

2017-05-01

Full Text Available Bromate ( BrO 3 − contamination in drinking water is a growing concern. Advanced reduction processes (ARPs are reportedly promising in relieving this concern. In this work, UV/superparamagnetic BiOCl (BiOCl loaded onto superparamagnetic hydroxyapatite assisted with small molecule carboxylic acid (formate, citrate, and acetate, a carboxyl anion radical ( CO 2 • − -based ARP, was proposed to eliminate aqueous BrO 3 − . Formate and citrate were found to be ideal CO 2 • − precursor, and the latter was found to be safe for practical use. BrO 3 − (10 μg·L−1, WHO guideline for drinking water can be completely degraded within 3 min under oxygen-free conditions. In this process, BrO 3 − degradation was realized by the reduction of CO 2 • − (major role and formyloxyl radical (minor role in bulk solution. The formation mechanism of radicals and the transformation pathway of BrO 3 − were proposed based on data on electron paramagnetic resonance monitoring, competitive kinetics, and degradation product analysis. The process provided a sustainable decontamination performance (<5% deterioration for 10 cycles and appeared to be more resistant to common electron acceptors (O2, NO 3 − , and Fe3+ than hydrated electron based-ARPs. Phosphate based-superparamagnetic hydroxyapatite, used to support BiOCl in this work, was believed to be applicable for resolving the recycling problem of other metal-containing catalyst.

Removal of BrO₃⁻ from drinking water samples using newly developed agricultural waste-based activated carbon and its determination by ultra-performance liquid chromatography-mass spectrometry.

Science.gov (United States)

Naushad, Mu; Khan, Mohammad R; ALOthman, Zeid A; AlSohaimi, Ibrahim; Rodriguez-Reinoso, Francisco; Turki, Turki M; Ali, Rahmat

2015-10-01

Activated carbon was prepared from date pits via chemical activation with H3PO4. The effects of activating agent concentration and activation temperature on the yield and surface area were studied. The optimal activated carbon was prepared at 450 °C using 55 % H3PO4. The prepared activated carbon was characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, thermogravimetric-differential thermal analysis, and Brunauer, Emmett, and Teller (BET) surface area. The prepared date pit-based activated carbon (DAC) was used for the removal of bromate (BrO3 (-)). The concentration of BrO3 (-) was determined by ultra-performance liquid chromatography-mass tandem spectrometry (UPLC-MS/MS). The experimental equilibrium data for BrO3 (-) adsorption onto DAC was well fitted to the Langmuir isotherm model and showed maximum monolayer adsorption capacity of 25.64 mg g(-1). The adsorption kinetics of BrO3 (-) adsorption was very well represented by the pseudo-first-order equation. The analytical application of DAC for the analysis of real water samples was studied with very promising results.

Chemical speciation analysis for bromine in tap water by ion chromatography/inductively coupled plasma-mass spectrometry and electrospray ionization-mass spectrometry

International Nuclear Information System (INIS)

Kurata, Keigo; Suzuki, Yoshinari; Furuta, Naoki

2010-01-01

Bromide compounds in tap water were measured by using a hyphenated technique of ion chromatography coupled with inductively coupled plasma - mass spectrometry (IC/ICP-MS) and electrospray ionization mass spectrometry (ESI-MS). We identified bromide ion (Br - ), bromate ion (BrO 3 - ), bromochloroacetic acid (BCAA), dibromoacetic acid (DBAA) and bromodichloroacetic acid (BDCAA) by standard addition methods with IC/ICP-MS. Moreover, we identified BCAA and BDCAA by ESI-MS after separation with IC. Br - , BrO 3 - , BCAA, DBAA and BDCAA in tap water collected from around Tokyo area were quantified by IC/ICP-MS. The maximum concentration of BrO 3 - (1.8 ng mL -1 ) was observed in tap water collected from Bunkyo-ku, although this concentration was lower than 10 ng mL -1 , which is the regulated concentration in Japan. DBAA, which is regulated by United States Environmental Protection Agency, was detected in tap water collected from all sites, except for Ome. However, since BrO 3 - and DBAA are toxic, it is necessary to continue monitoring bromide compounds in tap water. (author)

Method for the fast determination of bromate, nitrate and nitrite by ultra performance liquid chromatography-mass spectrometry and their monitoring in Saudi Arabian drinking water with chemometric data treatment.

Science.gov (United States)

Khan, Mohammad Rizwan; Wabaidur, Saikh Mohammad; Alothman, Zeid Abdullah; Busquets, Rosa; Naushad, Mu

2016-05-15

A rapid, sensitive and precise method for the determination of bromate (BrO3(-)), nitrate (NO3(-)) and nitrite (NO2(-)) in drinking water was developed with Ultra performance Liquid Chromatography-Mass Spectrometry (UPLC-ESI/MS). The elution of BrO3(-), NO3(-) and NO2(-) was attained in less than two minutes in a reverse phase column. Quality parameters of the method were established; run-to-run and day-to-day precisions were water from Saudi Arabia (Jeddah, Dammam and Riyadh areas) and commercial bottled water (from well or unknown source) after mere filtration steps. The quantified levels of NO3(-) were not found to pose a risk. In contrast, BrO3(-) was found above the maximum contaminant level established by the US Environmental Protection Agency in 25% and 33% of the bottled and metropolitan waters, respectively. NO2(-) was found at higher concentrations than the aforementioned limits in 70% and 92% of the bottled and metropolitan water samples, respectively. Therefore, remediation measures or improvements in the disinfection treatments are required. The concentrations of BrO3(-), NO3(-) and NO2(-) were mapped with Principal Component analysis (PCA), which differentiated metropolitan water from bottled water through the concentrations of BrO3(-) and NO3(-) mainly. Furthermore, it was possible to discriminate between well water; blend of well water and desalinated water; and desalinated water. The point or source (region) was found to not be distinctive. Copyright © 2016. Published by Elsevier B.V.

Preparation and properties of uranyl bromate monohydrate

International Nuclear Information System (INIS)

Weigel, F.

1983-01-01

Uranyl bromate monohydrate UO 2 (BrO 3 ) 2 .H 2 O was obtained as a greenish-yellow solid by the metathesis of a uranyl sulfate solution with a stoichiometric amount of barium bromate solution. On evaporation of the supernatant of the precipitated BaSO 4 a greenish-yellow syrup was obtained which, on dehydration with anhydrous carbon tetrachloride, yielded a free-flowing greenish-yellow powder with stoichiometry UO 2 (BrO 3 ) 2 .H 2 O. Powder diffraction diagrams of UO 2 (BrO 3 ) 2 .H 2 O obtained using the Guinier method yielded an orthorhombic lattice (space group, Pbcn (no. 60)) with a = 8.533 +- 0.003 A, b = 7.639 +- 0.003 A and c = 12.293 +- 0.004 A; the X-ray density was 4.507 g cm -3 . The compound was characterized by chemical analysis, IR spectroscopy and differential thermal analysis. (Auth.)

Ground-based remote sensing of volcanic CO2 and correlated SO2, HF, HCl, and BrO, in safe-distance from the crater

Science.gov (United States)

Butz, Andre; Solvejg Dinger, Anna; Bobrowski, Nicole; Kostinek, Julian; Fieber, Lukas; Fischerkeller, Constanze; Giuffrida, Giovanni Bruno; Hase, Frank; Klappenbach, Friedrich; Kuhn, Jonas; Lübcke, Peter; Tirpitz, Lukas; Tu, Qiansi

2017-04-01

Remote sensing of CO2 enhancements in volcanic plumes can be a tool to estimate volcanic CO2 emissions and thereby, to gain insight into the geological carbon cycle and into volcano interior processes. However, remote sensing of the volcanic CO2 is challenged by the large atmospheric background concentrations masking the minute volcanic signal. Here, we report on a demonstrator study conducted in September 2015 at Mt. Etna on Sicily, where we deployed an EM27/SUN Fourier Transform Spectrometer together with a UV spectrometer on a mobile remote sensing platform. The spectrometers were operated in direct-sun viewing geometry collecting cross-sectional scans of solar absorption spectra through the volcanic plume by operating the platform in stop-and-go patterns in 5 to 10 kilometers distance from the crater region. We successfully detected correlated intra-plume enhancements of CO2 and volcanic SO2, HF, HCl, and BrO. The path-integrated volcanic CO2 enhancements amounted to about 0.5 ppm (on top of the ˜400 ppm background). Key to successful detection of volcanic CO2 was A) the simultaneous observation of the O2 total column which allowed for correcting changes in the CO2 column caused by changes in observer altitude and B) the simultaneous measurement of volcanic species co-emitted with CO2 which allowed for discriminating intra-plume and extra-plume observations. The latter were used for subtracting the atmospheric CO2 background. The field study suggests that our remote sensing observatory is a candidate technique for volcano monitoring in safe distance from the crater region.

Field and Satellite Observations of the Formation and Distribution of Arctic Atmospheric Bromine Above a Rejuvenated Sea Ice Cover

Science.gov (United States)

Nghiem, Son V.; Rigor, Ignatius G.; Richter, Andreas; Burrows, John P.; Shepson, Paul B.; Bottenheim, Jan; Barber, David G.; Steffen, Alexandra; Latonas, Jeff; Wang, Feiyue;

Horizontal and vertical structure of reactive bromine events probed by bromine monoxide MAX-DOAS

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W. R. Simpson

2017-08-01

Full Text Available Heterogeneous photochemistry converts bromide (Br− to reactive bromine species (Br atoms and bromine monoxide, BrO that dominate Arctic springtime chemistry. This phenomenon has many impacts such as boundary-layer ozone depletion, mercury oxidation and deposition, and modification of the fate of hydrocarbon species. To study environmental controls on reactive bromine events, the BRomine, Ozone, and Mercury EXperiment (BROMEX was carried out from early March to mid-April 2012 near Barrow (Utqiaġvik, Alaska. We measured horizontal and vertical gradients in BrO with multiple-axis differential optical absorption spectroscopy (MAX-DOAS instrumentation at three sites, two mobile and one fixed. During the campaign, a large crack in the sea ice (an open lead formed pushing one instrument package ∼ 250 km downwind from Barrow (Utqiaġvik. Convection associated with the open lead converted the BrO vertical structure from a surface-based event to a lofted event downwind of the lead influence. The column abundance of BrO downwind of the re-freezing lead was comparable to upwind amounts, indicating direct reactions on frost flowers or open seawater was not a major reactive bromine source. When these three sites were separated by ∼ 30 km length scales of unbroken sea ice, the BrO amount and vertical distributions were highly correlated for most of the time, indicating the horizontal length scales of BrO events were typically larger than ∼ 30 km in the absence of sea ice features. Although BrO amount and vertical distribution were similar between sites most of the time, rapid changes in BrO with edges significantly smaller than this ∼ 30 km length scale episodically transported between the sites, indicating BrO events were large but with sharp edge contrasts. BrO was often found in shallow layers that recycled reactive bromine via heterogeneous reactions on snowpack. Episodically, these surface-based events propagated aloft when

Toxicity of bromate to striped bass ichthyoplankton (Morone saxatilis) and juvenile spot (Leiostomus xanthurus).

Science.gov (United States)

Richardson, L B; Burton, D T; Rhoderick, J C

1981-10-01

Striped bass (Morone saxatillis) eggs (12 h after fertilization) and larvae (4 d after hatching) and juvenile spot (Leiostomus xanthurus) were exposed to a series of bromate concentrations for 4, 10, and 10 d, respectively, using static replacement bioassay techniques. Three-dimensional mortality response surfaces were constructed by computerized probit regression techniques. Newly hatched striped bass prolarvae were most sensitive to bromate and had a 96-h LC50 of 30.8 mg/l (as BrO3-). Four-day-old striped bass larvae were less sensitive, with 2- to 10-d LC50s ranging from 605.0 to 92.6 mg/l BrO3-, respectively. Juvenile spot were least sensitive, with 1- to 10-d LC50s ranging from 698.0 to 278.6 mg/l BrO3-, respectively.

2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-ylacetic acid

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Pil Ja Seo

2012-01-01

Full Text Available The title compound, C13H13BrO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropylsulfanyl-1-benzofuran-2-ylacetate. In the crystal, the carboxyl groups are involved in intermolecular O—H...O hydrogen bonds, which link the molecules into dimers. These dimers are further packed into stacks along the c axis by intermolecular C—H...π interactions, and by slipped π–π interactions between the furan rings of adjacent molecules [centroid–centroid distance = 3.472 (2 Å, interplanar distance = 3.398 (2 Å and slippage = 0.713 (2 Å].

An exemplary case of a bromine explosion event linked to cyclone development in the Arctic

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A.-M. Blechschmidt

2016-02-01

Full Text Available Intense, cyclone-like shaped plumes of tropospheric bromine monoxide (BrO are regularly observed by GOME-2 on board the MetOp-A satellite over Arctic sea ice in polar spring. These plumes are often transported by high-latitude cyclones, sometimes over several days despite the short atmospheric lifetime of BrO. However, only few studies have focused on the role of polar weather systems in the development, duration and transport of tropospheric BrO plumes during bromine explosion events. The latter are caused by an autocatalytic chemical chain reaction associated with tropospheric ozone depletion and initiated by the release of bromine from cold brine-covered ice or snow to the atmosphere. In this manuscript, a case study investigating a comma-shaped BrO plume which developed over the Beaufort Sea and was observed by GOME-2 for several days is presented. By making combined use of satellite data and numerical models, it is shown that the occurrence of the plume was closely linked to frontal lifting in a polar cyclone and that it most likely resided in the lowest 3 km of the troposphere. In contrast to previous case studies, we demonstrate that the dry conveyor belt, a potentially bromine-rich stratospheric air stream which can complicate interpretation of satellite retrieved tropospheric BrO, is spatially separated from the observed BrO plume. It is concluded that weather conditions associated with the polar cyclone favoured the bromine activation cycle and blowing snow production, which may have acted as a bromine source during the bromine explosion event.

Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

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Wataru Furukawa

2014-10-01

Full Text Available In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5 Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4 Å], generating a three-dimensional network.

The reaction O((3)P) + HOBr: Temperature dependence of the rate constant and importance of the reaction as an HOBr stratospheric loss process

Science.gov (United States)

Nesbitt, F. L.; Monks, P. S.; Payne, W. A.; Stief, L. J.; Toumi, R.

1995-01-01

The absolute rate constant for the reaction O((3)P) + HOBr has been measured between T = 233K and 423K using the discharge-flow kinetic technique coupled to mass spectrometric detection. The value of the rate coefficient at room temperature is (2.5 +/- 0.6) x 10(exp -11)cu cm/molecule/s and the derived Arrhenius expression is (1.4 +/- 0.5) x 10(exp -10) exp((-430 +/- 260)/T)cu cm/molecule/s. From these rate data the atmospheric lifetime of HOBr with respect to reaction with O((3)P) is about 0.6h at z = 25 km which is comparable to the photolysis lifetime based on recent measurements of the UV cross section for HOBr. Implications for HOBr loss in the stratosphere have been tested using a 1D photochemical box model. With the inclusion of the rate parameters and products for the O + HOBr reaction, calculated concentration profiles of BrO increase by up to 33% around z = 35 km. This result indicates that the inclusion of the O + HOBr reaction in global atmospheric chemistry models may have an impact on bromine partitioning in the middle atmosphere.

Amazônia virtual no game Brasil Ragnarök online: representações, construção e circulação de sentidos sobre a região

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Luciana Miranda Costa

2017-01-01

Full Text Available Este artigo tem como objetivo analisar representações amazônicas presentes em Brasil Ragnarök Online (BRO, um jogo digital on-line para milhares de participantes simultâneos. Em 2009 foi lançado um conteúdo adicional ao jogo, uma cidade virtual intitulada Brasilis. Trata-se de uma representação do Brasil contendo inúmeros elementos lúdicos, audiovisuais e narrativos que referenciam aspectos culturais, naturais e históricos do país, sobretudo da região amazônica, foco desta pesquisa. Para a análise, foram utilizadas as propostas metodológicas relativas aos games: retórica processual (BOGOST, 2007; 2008; modelo de jogo digital (PINHEIRO, 2007; e hermenêutica dinâmica (TEIXEIRA, 2007. A partir da análise, verificou-se que os sentidos construídos em BRO reforçam estereótipos sobre a Amazônia, de modo a apresentar circularidades com sentidos já existentes e vigentes na sociedade, sobretudo relacionados à exploração e colonização da região. Apesar disso, entende-se que os jogos digitais configuram-se como uma mídia potencial para valorização, resistência e debate acerca da Amazônia.

Mercury oxidation from bromine chemistry in the free troposphere over the southeastern US

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S. Coburn

2016-03-01

Full Text Available The elevated deposition of atmospheric mercury over the southeastern United States is currently not well understood. Here we measure partial columns and vertical profiles of bromine monoxide (BrO radicals, a key component of mercury oxidation chemistry, to better understand the processes and altitudes at which mercury is being oxidized in the atmosphere. We use data from a ground-based MAX-DOAS instrument located at a coastal site ∼  1 km from the Gulf of Mexico in Gulf Breeze, FL, where we had previously detected tropospheric BrO (Coburn et al., 2011. Our profile retrieval assimilates information about stratospheric BrO from the WACCM chemical transport model (CTM, and uses only measurements at moderately low solar zenith angles (SZAs to estimate the BrO slant column density contained in the reference spectrum (SCDRef. The approach has 2.6 degrees of freedom, and avoids spectroscopic complications that arise at high SZA; knowledge about SCDRef further helps to maximize sensitivity in the free troposphere (FT. A cloud-free case study day with low aerosol load (9 April 2010 provided optimal conditions for distinguishing marine boundary layer (MBL: 0–1 km and free-tropospheric (FT: 1–15 km BrO from the ground. The average daytime tropospheric BrO vertical column density (VCD of ∼  2.3  ×  1013 molec cm−2 (SZA  <  70° is consistent with our earlier reports on other days. The vertical profile locates essentially all tropospheric BrO above 4 km, and shows no evidence for BrO inside the MBL (detection limit  <  0.5 pptv. BrO increases to  ∼  3.5 pptv at 10–15 km altitude, consistent with recent aircraft observations. Our case study day is consistent with recent aircraft studies, in that the oxidation of gaseous elemental mercury (GEM by bromine radicals to form gaseous oxidized mercury (GOM is the dominant pathway for GEM oxidation throughout the troposphere above Gulf

(5S,6R-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

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Winai Ieawsuwan

2011-10-01

Full Text Available The title compound, C15H15BrO2, was synthesized by a Brønsted acid-catalysed domino electrocyclization-halogenation reaction. The five-membered ring is essentially planar (r.m.s. deviation 0.006 Å and forms a dihedral angle of 72.7 (3° with the attached phenyl ring. The six-membered heterocycle adopts a half-chair conformation. The crystal packing is stabilized by a C—H...O contact.

Phytotoxicity of chiral herbicide bromacil: Enantioselectivity of photosynthesis in Arabidopsis thaliana

Energy Technology Data Exchange (ETDEWEB)

Chen, Zunwei; Zou, Yuqin; Wang, Jia [MOE Key Laboratory of Environmental Remediation & Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Li, Meichao [Research Center of Analysis and Measurement, Zhejiang University of Technology, Hangzhou 310032 (China); Wen, Yuezhong, E-mail: wenyuezhong@zju.edu.cn [MOE Key Laboratory of Environmental Remediation & Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China)

2016-04-01

With the wide application of chiral herbicides and the frequent detection of photosystem II (PSII) herbicides, it is of great importance to assess the direct effects of PSII herbicides on photosynthesis in an enantiomeric level. In the present study, the enantioselective phytotoxicity of bromacil (BRO), typical photosynthesis inhibition herbicide, on Arabidopsis thaliana was investigated. The results showed that S-BRO exhibited a greater inhibition of electron transmission in photosystem I (PSI) of A. thaliana than R-BRO by inhibiting the transcription of fnr 1. S-BRO also changed the chlorophyll fluorescence parameters Y (II), Y (NO), and Y (NPQ) to a greater extent than R-Bro. Transcription of genes psbO2, Lhcb3 and Lhcb6 was down-regulated in an enantioselective rhythm and S-BRO caused more serious influence, indicating that S-BRO did worse damage to the photosystem II (PSII) of A. thaliana than R-BRO. This study suggested that S-BRO disturbed the photosynthesis of plants to a larger extent than R-BRO and provided a new sight to evaluate the phytotoxicity of chiral herbicides. - Highlights: • It is necessary to assess the direct effects of PSII herbicides on photosynthesis. • Phytotoxicity of bromacil is investigated in an enantiomeric level. • Bromacil disturbed enantioselectively the photosystem II of Arabidopsis thaliana. • S-bromacil caused severer damage to photosynthesis of Arabidopsis than R-bromacil. • Photosynthesis should be considered for phytotoxicity assessment of herbicides.

Phytotoxicity of chiral herbicide bromacil: Enantioselectivity of photosynthesis in Arabidopsis thaliana

International Nuclear Information System (INIS)

Chen, Zunwei; Zou, Yuqin; Wang, Jia; Li, Meichao; Wen, Yuezhong

2016-01-01

With the wide application of chiral herbicides and the frequent detection of photosystem II (PSII) herbicides, it is of great importance to assess the direct effects of PSII herbicides on photosynthesis in an enantiomeric level. In the present study, the enantioselective phytotoxicity of bromacil (BRO), typical photosynthesis inhibition herbicide, on Arabidopsis thaliana was investigated. The results showed that S-BRO exhibited a greater inhibition of electron transmission in photosystem I (PSI) of A. thaliana than R-BRO by inhibiting the transcription of fnr 1. S-BRO also changed the chlorophyll fluorescence parameters Y (II), Y (NO), and Y (NPQ) to a greater extent than R-Bro. Transcription of genes psbO2, Lhcb3 and Lhcb6 was down-regulated in an enantioselective rhythm and S-BRO caused more serious influence, indicating that S-BRO did worse damage to the photosystem II (PSII) of A. thaliana than R-BRO. This study suggested that S-BRO disturbed the photosynthesis of plants to a larger extent than R-BRO and provided a new sight to evaluate the phytotoxicity of chiral herbicides. - Highlights: • It is necessary to assess the direct effects of PSII herbicides on photosynthesis. • Phytotoxicity of bromacil is investigated in an enantiomeric level. • Bromacil disturbed enantioselectively the photosystem II of Arabidopsis thaliana. • S-bromacil caused severer damage to photosynthesis of Arabidopsis than R-bromacil. • Photosynthesis should be considered for phytotoxicity assessment of herbicides.

Radiolysis of nitrite, bromate and permanganate ions and their binary mixtures in aqueous solutions at pH 10

International Nuclear Information System (INIS)

Dedgaonkar, V.G.; Kulkarni, S.A.; Mahajan, C.T.

1981-01-01

#betta#-radiolysis of pure systems viz. nitrite, bromate and permanganate and their binary mixtures (MNO 4- /NO 2- , MnO 4- /BrO 3- ) in aqueous solution at pH 10 is studied as a function of dose and concentration. In pure systems the G(NO 3- ), G(Br - ) and G(-MnO 4- ) increase with increasing concentration. The first two show an identical limiting value of approximately 0.5 while the last increases from 0.68 below 10 4 M and reaches 2.5 at 10 - 2 M concentration. Presence of 10 - 1 M BrO 3- or 10 - 2 M NO 2- reduces the G(-MnO 4- ) from 1.07 for the pure 10 - 3 M permanganate solution to 0.2 and 0.7 respectively. A mechanism based on the competitive kinetics is envisaged to explain the observed results. (author)

Transfer of energy from irradiated crystals to redox reactions: iodide/bromate and nitrite/bromate systems

International Nuclear Information System (INIS)

Arnikar, H.J.; Madhava Rao, B.S.; Bedekar, M.J.

1978-01-01

Earlier it had been shown by the authors that some of the redox reactions, which do not take place at room temperature can be induced by γ radiation. The yields are proportional to the dose. Results reported here show that instead of direct irradiation, the energy stored in irradiated crystals in the form of F and hole centres can be available, in part, in effecting redox reactions. The mechanism of such an energy transfer is discussed with reference to reactions in the I - +BrO 3 - and NO 2 - +BrO 3 - systems due to the addition of irradiated NaCl. (author)

Kinetics of the Reactions of O((sup 3)P) and Cl((sup 2)P) with HBr and Br2

Science.gov (United States)

Nicovich, J. M.; Wine, P. H.

1997-01-01

A laser flash photolysis-resonance fluorescence technique has been employed to study the kinetics of reactions (1)-(4) as a function of temperature. (1) O((sup 3)P) + Br2 yields BrO + Br((sup 2)P(sub 3/2)) at 255-350 K; (2) Cl((sup 2)P) + Br2 yields BrCl + Br((sup 2)P(sub 3/2)) at 298-401 K; (3) O((sup 3)P) + HBr yields OH + Br((sup 2)P(sub J)) at 250-402 K; (4) Cl((sup 2)P) + HBr yields HCl + Br((sup 2)P(sub J)) at 257-404 K. In all cases, the concentration of the excess reagent, i.e, HBr or Br2, was measured in situ in the slow flow system by UV-visible photometry. Heterogeneous dark reactions between XBr (X equals H or Br) and the photolytic precursors for Cl((sup 2)P) and O((sup 3)P) (Cl2 and O3, respectively) were avoided by injecting minimal amounts of precursor into the reaction mixture immediately upstream from the reaction zone. The following Arrhenius expressions summarize our results (errors are 2 sigma and represent precision only, units are cu cm/(molecule.s): k(sub 1) = (1.76 +/- 0.80) x 10(exp -11 exp[(40 +/- 100)/T]; k(sub 2) = (2.40 +/- 1.25) x 12(exp -10) exp[-(144 +/- 176)/T]; k(sub 3) = (5.11 +/- 2.82) x 10(exp -12) exp[-(1450 +/- 160)/T]; k(sub 4) = (2.25 +/- 0.56) x 10(exp -11) exp[-(400 +/- 80)/T]. The consistency (or lack thereof) of our results with those reported in previous kinetics and dynamics studies of reactions (1)-(4) is discussed.

(E-1-(2-Bromophenyl-3-(2,5-dimethoxyphenylprop-2-en-1-one

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Jerry P. Jasinski

2010-08-01

Full Text Available The title compound, C17H15BrO3, is a chalcone with the 2-bromophenyl and 2,5-dimethoxyphenyl rings bonded at opposite ends of a propene group. The dihedral angle between the mean planes of the ortho-bromo and ortho,meta-dimethoxy-substituted benzene rings is 77.3 (1°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromophenyl and 2,5-dimethoxyphenyl rings are 58.6 (1 and 30.7 (4°, respectively. Weak C—H...O, C—H...Br and π–π stacking intermolecular interactions [centroid–centroid distance = 3.650 (2 Å] are present in the structure.

Reuse of sewage sludge as a catalyst in ozonation – Efficiency for the removal of oxalic acid and the control of bromate formation

International Nuclear Information System (INIS)

Wen, Gang; Pan, Zhi-Hui; Ma, Jun; Liu, Zheng-Qian; Zhao, Lei; Li, Jun-Jing

2012-01-01

Highlights: ► Sewage sludge was converted into catalyst (SBC) and characterized. ► SBC can enhance oxalic acid degradation in ozonation. ► Surface reaction mechanism is responsible for enhancement of ozonation by SBC. ► SBC can control the formation of bromate in ozonation. ► Several combined reasons for the control of bromate formation are proposed. - Abstract: Sewage derived sludge is produced with an annual amount increase of 2% all over the world and it is an urgent issue to be addressed by human being. In the present study, sludge was converted into sludge-based catalyst (SBC) with ZnCl 2 as activation agent and characterized by several methods (e.g., scanning electron microscope, X-ray photoelectron spectroscope and Fourier transform infrared spectroscope). Then it was used as a catalyst to enhance the removal of refractory organic matter, oxalic acid, and to control the formation of bromate (BrO 3 − ) in bench semi-continuous ozonation experiments. The effects of various operating parameters on the control of BrO 3 − formation were investigated. Furthermore, the mechanism for the enhancement of organic matter removal and the control of BrO 3 − formation was discussed as well. Results indicate that the combination of SBC with ozone shows a strong synergistic effect, resulting in a notable improvement on oxalic acid removal. A crucial surface reaction mechanism for the enhancement of organic matter removal is proposed on the basis of negative effect of higher pH and no inhibition effect of tert-butanol. The control for BrO 3 − formation was demonstrated and the reason for its control in the process of O 3 /SBC is the combined effect of SBC reductive properties, ozone exposure decrease and hydrogen peroxide concentration increase.

5-(4-Bromophenyl-2-(3,4-methylenedioxyphenyl-3-methylsulfanyl-1-benzofuran

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Hong Dae Choi

2009-10-01

Full Text Available The title compound, C22H15BrO3S, crystallizes with four molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four molecules of 20.8 (2, 17.8 (2, 23.5 (4 and 23.9 (4°. The dihedral angles between the 3,4-methylenedioxyphenyl ring and the benzofuran plane are 13.5 (2, 7.1 (2, 18.6 (3 and 14.2 (3° in the four molecules. The crystal structure is stabilized by weak nonclassical intermolecular C—H...O hydrogen bonds. The crystal structure also exhibits intermolecular aromatic π–π interactions between the benzene and furan rings and between the 4-bromophenyl and 3,4-methylenedioxyphenyl rings from molecules of the same type; the centroid–centroid distances are 3.92 (1 and 3.79 (1, 3.91 (1, 3.77 (1 and 3.77 (1, and 3.79 (1 and 3.75 (1Å in the four molecules.

pH-oscillations in the bromate-sulfite reaction in semibatch and in gel-fed batch reactors

Science.gov (United States)

Poros, Eszter; Kurin-Csörgei, Krisztina; Szalai, István; Rábai, Gyula; Orbán, Miklós

2015-06-01

The simplest bromate oxidation based pH-oscillator, the two component BrO3--SO32- flow system was transformed to operate under semibatch and closed arrangements. The experimental preconditions of the pH-oscillations in semibatch configuration were predicted by model calculations. Using this information as guideline large amplitude (ΔpH˜3), long lasting (11-24 h) pH-oscillations accompanied with only a 20% increase of the volume in the reactor were measured when a mixture of Na2SO3 and H2SO4 was pumped into the solution of BrO3- with a very low rate. Batch-like pH-oscillations, similar in amplitude and period time appeared when the sulfite supply was substituted by its dissolution from a gel layer prepared previously in the reactor in presence of high concentration of Na2SO3. The dissolution vs time curve and the pH-oscillations in the semibatch and closed systems were successfully simulated. Due to the simplicity in composition and in experimental technique, the semibatch and batch-like BrO3--SO32- pH-oscillators may become superior to their CSTR (continuous flow stirred tank reactor) version in some present and future applications.

12,12′-[2,2′-Oxybis(ethane-2,1-diylbis(oxy]bis[(Rp-4-bromo[2.2]paracyclophane

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Bing Hong

2011-04-01

Full Text Available The title compound, C36H36Br2O3, was synthesized from (Rp-4-bromo-12-hydroxy[2.2]paracyclophane and oxydiethane-2,1-diyl bis(4-methylbenzenesulfonate. The crystal packing exhibits a short O...Br interaction [Br...O = 3.185 (3 Å] and a weak intermolecular C—H...O contact.

Avaliação do modelo J2000/JAMS para modelagem hidrológica em bacias hidrográficas brasileiras

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Aline Ribeiro Machado

Full Text Available RESUMO: A gestão de recursos hídricos no Brasil é prejudicada pela carência de informações hidrológicas, que pode ser suprida pelos modelos hidrológicos que simulam o comportamento das bacias hidrográficas. Entretanto, muitos modelos não geram bons resultados quando executados fora da área de estudo onde foram criados. Por isso, devido à sua adaptabilidade, o modelo J2000 inserido no framework Jena Adaptable Modelling System (JAMS foi avaliado para simulação de duas bacias hidrográficas inseridas na zona de afloramento do Sistema Aquífero Guarani, a Bacia Hidrográfica do Ribeirão da Onça (BRO e a Microbacia do Córrego Cavalheiro (BCC, nos municípios de Brotas e Analândia, respectivamente, no estado de São Paulo. O framework JAMS apresentou-se como um sistema simplificado para uso, flexível diante das adaptações necessárias para compatibilização com as características climatológicas e hidrológicas das áreas de estudo. O modelo J2000 mostrou-se eficiente na predição da resposta hidrológica das bacias hidrográficas, apresentando um coeficiente de Nash-Sutcliffe (NSE de 0,76 e 0,81, para os períodos de calibração e validação da BRO; e 0,76 e 0,56, para os períodos de calibração e validação da BCC, respectivamente. O erro absoluto, calculado pelo valor da raiz do erro quadrático médio, foi considerado baixo por apresentar valores de 0,14 e 0,18 m³.s-1 para os períodos de calibração e validação da BRO; e 0,02 e 0,03 m³s-1 para os períodos de calibração e validação da BCC, respectivamente. Portanto, o J2000/JAMS mostrou-se como um candidato potencial para modelagem hidrológica de bacias hidrográficas do estado de São Paulo, podendo ser utilizado para estudos sobre as relações entre a localização do uso do solo na bacia hidrográfica e a geração de escoamento.

Halogen speciation in volcanic plumes - Development of compact denuder sampling techniques with in-situ derivatization followed by gas chromatography-mass spectrometry and their application at Mt. Etna, Mt. Nyiragongo and Mt. Nyamulagira in 2015.

Science.gov (United States)

Rüdiger, Julian; Bobrowski, Nicole; Hoffmann, Thorsten

2016-04-01

Volcanoes are a large source for several reactive atmospheric trace gases including sulfur and halogen containing species. The detailed knowledge of volcanic plume chemistry can give insights into subsurface processes and can be considered as a useful geochemical tool for monitoring of volcanic activity, especially halogen to sulfur ratios (e.g. Bobrowski and Giuffrida, 2012; Donovan et al., 2014). The reactive bromine species bromine monoxide (BrO) is of particular interest, because BrO as well as SO2 are readily measurable by UV spectrometer at a safe distance. Furthermore it is formed in the plume by a multiphase reaction mechanism under depletion of ozone in the plume. The abundance of BrO changes as a function of the reaction time and therefore distance from the vent as well as the spatial position in the plume. The precursor substance for the formation of BrO is HBr with Br2as an intermediate product. The reaction of HBr to BrO involves heterogeneous reactions involving aerosol particles, while Br2 reacts directly with O3 to form BrO in a UV radiation induced mechanism. Due to the lack of analytical approaches for the species analysis of halogens (HBr, Br2, Br, BrCl, HOBr) there are still uncertainties about the magnitude of volcanic halogen emissions and in particular their speciation and therefore also in the understanding of the bromine chemistry in volcanic plumes (Bobrowski et al., 2007). In this study a gas diffusion denuder sampling method using a 1,3,5-trimethoxybenzene (1,3,5-TMB) coating for the derivatization of reactive halogen species (Rüdiger et al., 2015) was characterized by reaction chamber experiments. The coating proved to be suitable to collect selectively gaseous bromine species with oxidation states of +1 or 0 (such as Br2, BrCl, BrO(H) and BrONO2), while being ignorant to HBr (OS -1). The reaction of 1,3,5-TMB with reactive bromine species gives 1-bromo-2,4,6-trimethoxybenzene (1-bromo-2,4,6-TMB) - other halogens give corresponding

Off-axis Doas Measurements At Observatoire De Haute Provence During 2001

Science.gov (United States)

Roozendael, M. Van; de Mazière, M.; Fayt, C.; Hendrick, F.; Hermans, C.

Since December 2000, a ground-based off-axis DOAS spectrometer has been operated by BIRA-IASB in the South of France at the Observatoire de Haute Provence (OHP, 44°N). The design of the instrument allows automated observations of the scattered light alternatively in the zenith direction and at 10° above the horizon (off-axis geometry). The spectrometer is polarised and follows the azimuth of the sun. Its temperature is regulated and it is equipped with a Princeton Instruments/ Hammamatsu cooled diode array detector. Observations are made every 5 minutes in the 320-390 nm range. The analysis of the spectra recorded between January and December 2001 demonstrates the sensitivity of the measurements to tropospheric contents of NO2, HCHO, O3 and BrO. Results show a large seasonality in the HCHO content with maximum values in summer. The tropospheric BrO column is found to be stable over the year in the range of approximately 1.5-2 x1013 molec/cm2, roughly consistent with GOME observations at Northern mid-latitudes. Large increases of the BrO concentration are observed in summer likely due to local pollution in the vicinity of the station.

Observations of bromine monoxide transport in the Arctic sustained on aerosol particles

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P. K. Peterson

2017-06-01

Full Text Available The return of sunlight in the polar spring leads to the production of reactive halogen species from the surface snowpack, significantly altering the chemical composition of the Arctic near-surface atmosphere and the fate of long-range transported pollutants, including mercury. Recent work has shown the initial production of reactive bromine at the Arctic surface snowpack; however, we have limited knowledge of the vertical extent of this chemistry, as well as the lifetime and possible transport of reactive bromine aloft. Here, we present bromine monoxide (BrO and aerosol particle measurements obtained during the March 2012 BRomine Ozone Mercury EXperiment (BROMEX near Utqiaġvik (Barrow, AK. The airborne differential optical absorption spectroscopy (DOAS measurements provided an unprecedented level of spatial resolution, over 2 orders of magnitude greater than satellite observations and with vertical resolution unable to be achieved by satellite methods, for BrO in the Arctic. This novel method provided quantitative identification of a BrO plume, between 500 m and 1 km aloft, moving at the speed of the air mass. Concurrent aerosol particle measurements suggest that this lofted reactive bromine plume was transported and maintained at elevated levels through heterogeneous reactions on colocated supermicron aerosol particles, independent of surface snowpack bromine chemistry. This chemical transport mechanism explains the large spatial extents often observed for reactive bromine chemistry, which impacts atmospheric composition and pollutant fate across the Arctic region, beyond areas of initial snowpack halogen production. The possibility of BrO enhancements disconnected from the surface potentially contributes to sustaining BrO in the free troposphere and must also be considered in the interpretation of satellite BrO column observations, particularly in the context of the rapidly changing Arctic sea ice and snowpack.

Hydrothermal syntheses and characterization of two layered molybdenum selenites, Rb2(MoO3)3SeO3 and Tl2(MoO3)3SeO3

International Nuclear Information System (INIS)

Dussack, L.L.; Harrison, W.T.A.; Jacobson, A.J.

1996-01-01

The hydrothermal syntheses of Rb 2 (MoO 3 ) 3 SeO 3 , and Tl 2 (MoO 3 ) 3 SeO 3 are described. These compounds have structures built up from hexagonal-WO 3 -type sheets and are isostructural with the previously reported Cs 2 (MoO 3 ) 3 SeO 3 and (NH 4 ) 2 (MoO 3 ) 3 SeO 3 . Powder X-ray, thermogravimetric, and spectroscopic data are presented and discussed

Raman spectroscopic study of structure and crystallisation behaviour of MoO3-La2O3-B2O3 and MoO3-ZnO-B2O3 glasses

Science.gov (United States)

Aleksandrov, L.; Komatsu, T.; Nagamine, K.; Oishi, K.

2011-03-01

In this study, we focus on the structure and crystallization behavior of MoO3-La2O3-B2O3 and MoO3-ZnO-B2O3 glasses. Glasses of both systems were prepared by a melt-quenching method. The thermal stability of the glasses was examined using differential thermal anaysis (DTA) measurements, and the crystalline phases formed by heat treatments were identified by X-ray diffraction (XRD) analysis. Raman scattering spectra at room temperature for the glasses and crystallized samples were measured with a laser microscope operated with an Ar+ (wavelength: 488 nm) laser. DTA measurements indicated that the thermal stability against crystallization of the glasses decreases drastically with increasing MoO3 content. XRD analysis confirmed that crystallization at 600°C for 3 h of glass with the nominal composition of 50MoO3-25La2O3-25B2O3 resulted in the formation of monoclinic LaMoBO6. Crystallization of 50ZnO-xMoO3-(50-x)B2O3 glasses formed triclinic α-ZnMoO4 as an initial crystalline phase. Moreover, for 30 mol% MoO3 glass, transmission electron microscopy observations showed the formation of α-ZnMoO4 nanocrystals with a diameter of ~ 5 nm. Raman bands at 860, 930 and 950 cm-1 suggested that the coordination state of Mo6+ ions in the glasses were mainly (MoO4)2- tetrahedral units. Therefore, MoO3-containing glasses have good potential for optical applications.

Nd(BrO3)3-Yb(BrO3)3-H2O and Nd2(SeO4)3-Yb2(SeO4)3-H2O systems at 25 deg C

International Nuclear Information System (INIS)

Serebrennikov, V.V.; Batyreva, V.A.; Tsybukova, T.N.

1981-01-01

Using the methods of isothermal solubility the Nd(BrO 3 ) 3 - Yb(BrO 3 ) 3 -H 2 O and Nd 2 (SeO 4 ) 3 -Yb 2 (SeO 4 ) 3 -H 2 O systems are studied at 25 deg C. The compositions of the solid phases are determined by the method of ''residues''. The formation of two series of solid solutions in both systems is established. Besides, there is a crystallization region of Nd 2 (SeO 4 ) 3 in the system of selenates. The solubility diagrams of the systems are presented [ru

UV-VIS Spectroscopy Applied to Stratospheric Chemistry, Methods and Results

Energy Technology Data Exchange (ETDEWEB)

Karlsen, K.

1996-03-01

This paper was read at the workshop ``The Norwegian Climate and Ozone Research Programme`` held on 11-12 March 1996. Numerous observations and modeling have shown with a very high degree of certainty that the man-made emissions of chlorofluorocarbons (CFC) and halons are responsible for the Antarctica ozone hole. It is also evident that the ozone layer of the Northern Hemisphere has suffered a certain decline over the last 10-15 years, possibly because of CFC and halons. 20-30% of the observed reduction is ascribed to coupled chlorine and bromine chemistry via a catalytic cycle resulting in the net conversion of 2O{sub 3} to 3O{sub 2}. But the details are not fully understood. The author plans to assemble a UV-VIS spectrometer for measuring the species OClO and BrO and to compare and discuss measured diurnal variations of OClO and BrO with model calculations. The use of Differential Optical Absorption Spectroscopy (DOAS) is discussed and some results from late 1995 presented. 6 refs., 2 figs.

Investigation of radiation shielding properties for MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) glasses

Science.gov (United States)

Sayyed, M. I.; Çelikbilek Ersundu, M.; Ersundu, A. E.; Lakshminarayana, G.; Kostka, P.

2018-03-01

In this work, glasses in the MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) system, which show a great potential for optoelectronic applications, were used to evaluate their resistance under high energy ionizing radiations. The basic shielding quantities for determining the penetration of radiation in glass, such as mass attenuation coefficient (μ/ρ), half value layer (HVL), mean free path (MFP) and exposure buildup factor (EBF) values were investigated within the energy range 0.015 MeV ‒ 15 MeV using XCOM program and variation of shielding parameters were compared with different glass systems and ordinary concrete. From the derived results, it was determined that MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) glasses show great potentiality to be used under high energy radiations. Among the studied glass compositions, Bi2O3 and WO3 containing glasses were found to possess superior gamma-ray shielding effectiveness.

Raman and Fluorescence Spectroscopy of CeO2, Er2O3, Nd2O3, Tm2O3, Yb2O3, La2O3, and Tb4O7

Directory of Open Access Journals (Sweden)

Jianlan Cui

2015-01-01

Full Text Available To better understand and ascertain the mechanisms of flotation reagent interaction with rare earth (RE minerals, it is necessary to determine the physical and chemical properties of the constituent components. Seven rare earth oxides (CeO2, Er2O3, Nd2O3, Tm2O3, Yb2O3, La2O3, and Tb4O7 that cover the rare earth elements (REEs from light to heavy REEs have been investigated using Raman spectroscopy. Multiple laser sources (wavelengths of 325 nm, 442 nm, 514 nm, and 632.8 nm for the Raman shift ranges from 100 cm−1 to 5000 cm−1 of these excitations were used for each individual rare earth oxide. Raman shifts and fluorescence emission have been identified. Theoretical energy levels for Er, Nd, and Yb were used for the interpretation of fluorescence emission. The experimental results showed good agreement with the theoretical calculation for Er2O3 and Nd2O3. Additional fluorescence emission was observed with Yb2O3 that did not fit the reported energy level diagram. Tb4O7 was observed undergoing laser induced changes during examination.

Mid-latitude Ozone Depletion Events Caused by Halogens from the Great Salt Lake in Utah

Science.gov (United States)

Fibiger, D. L.; Goldberger, L.; Womack, C.; McDuffie, E. E.; Dube, W. P.; Franchin, A.; Middlebrook, A. M.; Thornton, J. A.; Brown, S. S.

2017-12-01

Halogens are highly reactive chemicals and play an important role in atmospheric chemistry. They can be involved in many cycles which influence the oxidizing capacity of the atmosphere, including through destruction of ozone (O3). While the influence of halogens on O3 is well documented in the arctic, there are very few observations of O3 depletion driven by halogens in the mid-latitudes. To date, the most comprehensive study observed co-occurring plumes of BrO and depleted O3 near the Dead Sea in 1997. During the Utah Wintertime Fine Particulate Study (UWFPS) in winter 2017, simultaneous measurements of a comprehensive suite of halogen measurements by I- chemical ionization mass spectrometry and O3 from cavity ring-down spectroscopy, both at 1-second time resolution, were taken on a NOAA Twin Otter Aircraft over the Great Salt Lake and in the surrounding valleys. Many O3 depletion events were observed over the lake with O3 values sometimes below the instrument detection limit of 0.5 ppbv. Corresponding increases in BrO and/or ClO were observed. Many of these events were caused by extremely high levels of halogens (up to 1 ppmv Cl2) emitted from the U.S. Magnesium plant on the edge of the lake. The O3 depletion caused by U.S. Magnesium was usually isolated to a distinct vertical layer, but in other cases O3 depletion was vertically mixed and the origin of halogen activation was not immediately clear. The most complete O3 depletion was observed over the lake, but there were smaller events of a few ppbv observed in the adjacent valleys, including the highly populated Salt Lake Valley, with corresponding plumes of BrO and ClO, due to transport from the lake. Additionally, meteorology played a role in the observed O3 depletion. The strongest O3 depletion was observed during inversion events, when there is a low boundary layer and little mixing out of the air above the lake. During non-inversion conditions, only small depletions were observed, covering a much smaller

Photocatalytic mineralization of glyphosate in a small-scale plug flow simulation reactor by UV/TiO2.

Science.gov (United States)

Chen, Jian Q; Hu, Zhi J; Wang, Nan X

2012-01-01

The present work involves the photocatalytic mineralization of glyphosate on a plug flow reactor by UV/TiO(2). The effect of catalyst loading shows an optimal value (0.4 g L(-1)) which is necessary to mineralize glyphosate. The kinetic rate of glyphosate mineralization decreases with the increasing initial concentration of glyphosate, and the data can be described using the first-order model. An alkaline environment is conducive to glyphosate mineralization. The mineralization efficiency increases with elevated flow rate to 114 mL min(-1), which is followed by a decrease with a further increase in flow rate due to the reduction of the residence time. The presence of external oxidants (K(2)S(2)O(8), H(2)O(2) and KBrO(3)) and photosencitizer (humic acid) can significantly enhance glyphosate mineralization. Photocatalysis oxidation ability of the three studied oxidants decrease in the order of: S(2)O(8)(2-) > BrO(3)(-) > H(2)O(2). Finally, the Langmuir-Hinshelwood (L-H) model was used to rationalize the mechanisms of reactions occurring on TiO(2) surfaces and L-H model constants were also determined. Copyright © Taylor & Francis Group, LLC

Luminescence and energy transfer of Tb3+-doped BaO-Gd2O3-Al2O3-B2O3-SiO2 glasses.

Science.gov (United States)

Zuo, Chenggang; Huang, Jinze; Liu, Shaoyou; Xiao, Anguo; Shen, Youming; Zhang, Xiangyang; Zhou, Zhihua; Zhu, Ligang

2017-12-05

Transparent Tb 3+ -doped BaO-Gd 2 O 3 -Al 2 O 3 -B 2 O 3 -SiO 2 glasses with the greater than 4g/cm 3 were prepared by high temperature melting method and its luminescent properties have been investigated by measured UV-vis transmission, excitation, emission and luminescence decay spectra. The transmission spectrum shows there are three weak absorption bands locate at about 312, 378 and 484nm in the glasses and it has good transmittance in the visible spectrum region. Intense green emission can be observed under UV excitation. The effective energy transfer from Gd 3+ ion to Tb 3+ ion could occur and sensitize the luminescence of Tb 3+ ion. The green emission intensity of Tb 3+ ion could change with the increasing SiO 2 /B 2 O 3 ratio in the borosilicate glass matrix. With the increasing concentration of Tb 3+ ion, 5 D 4 → 7 F J transitions could be enhanced through the cross relaxation between the two nearby Tb 3+ ions. Luminescence decay time of 2.12ms from 546nm emission is obtained. The results indicate that Tb 3+ -doped BaO-Gd 2 O 3 -Al 2 O 3 -B 2 O 3 -SiO 2 glasses would be potential scintillating material for applications in X-ray imaging. Copyright © 2017 Elsevier B.V. All rights reserved.

Polar boundary layer bromine explosion and ozone depletion events in the chemistry-climate model EMAC v2.52: implementation and evaluation of AirSnow algorithm

Science.gov (United States)

Falk, Stefanie; Sinnhuber, Björn-Martin

2018-03-01

Ozone depletion events (ODEs) in the polar boundary layer have been observed frequently during springtime. They are related to events of boundary layer enhancement of bromine. Consequently, increased amounts of boundary layer volume mixing ratio (VMR) and vertical column densities (VCDs) of BrO have been observed by in situ observation, ground-based as well as airborne remote sensing, and from satellites. These so-called bromine explosion (BE) events have been discussed serving as a source of tropospheric BrO at high latitudes, which has been underestimated in global models so far. We have implemented a treatment of bromine release and recycling on sea-ice- and snow-covered surfaces in the global chemistry-climate model EMAC (ECHAM/MESSy Atmospheric Chemistry) based on the scheme of Toyota et al. (2011). In this scheme, dry deposition fluxes of HBr, HOBr, and BrNO3 over ice- and snow-covered surfaces are recycled into Br2 fluxes. In addition, dry deposition of O3, dependent on temperature and sunlight, triggers a Br2 release from surfaces associated with first-year sea ice. Many aspects of observed bromine enhancements and associated episodes of near-complete depletion of boundary layer ozone, both in the Arctic and in the Antarctic, are reproduced by this relatively simple approach. We present first results from our global model studies extending over a full annual cycle, including comparisons with Global Ozone Monitoring Experiment (GOME) satellite BrO VCDs and surface ozone observations.

Polar boundary layer bromine explosion and ozone depletion events in the chemistry–climate model EMAC v2.52: implementation and evaluation of AirSnow algorithm

Directory of Open Access Journals (Sweden)

S. Falk

2018-03-01

Full Text Available Ozone depletion events (ODEs in the polar boundary layer have been observed frequently during springtime. They are related to events of boundary layer enhancement of bromine. Consequently, increased amounts of boundary layer volume mixing ratio (VMR and vertical column densities (VCDs of BrO have been observed by in situ observation, ground-based as well as airborne remote sensing, and from satellites. These so-called bromine explosion (BE events have been discussed serving as a source of tropospheric BrO at high latitudes, which has been underestimated in global models so far. We have implemented a treatment of bromine release and recycling on sea-ice- and snow-covered surfaces in the global chemistry–climate model EMAC (ECHAM/MESSy Atmospheric Chemistry based on the scheme of Toyota et al. (2011. In this scheme, dry deposition fluxes of HBr, HOBr, and BrNO3 over ice- and snow-covered surfaces are recycled into Br2 fluxes. In addition, dry deposition of O3, dependent on temperature and sunlight, triggers a Br2 release from surfaces associated with first-year sea ice. Many aspects of observed bromine enhancements and associated episodes of near-complete depletion of boundary layer ozone, both in the Arctic and in the Antarctic, are reproduced by this relatively simple approach. We present first results from our global model studies extending over a full annual cycle, including comparisons with Global Ozone Monitoring Experiment (GOME satellite BrO VCDs and surface ozone observations.

UMOWA BROKERSKA JAKO UMOWA O CZYNNOŚCI POŚREDNICTWA UBEZPIECZENIOWEGO

OpenAIRE

Pokrzywniak, Jakub

2002-01-01

The aim of the article is to designate those characteristics of a brokerage contract that distinguish it from other types of contracts. The author begins by analysing the notion of insurance mediation on the basis of its legal definition as well as the practice o f the market. In consequence, he uses the notion in its strict sense, i.e. in reference to concluding transactions, and not denoting any form of consulting, especially risk management. Since the main area of insurance bro...

The scavenging of the precursors of the solvated electrons fom the positron lifetime spectroscopy and the Doppler broadening of annihilation line shape technique

International Nuclear Information System (INIS)

Abbe, J.C.; Duplatre, G.; Maddock, A.G.; Haessler, A.

1979-01-01

The electron scavenging properties in water of two series of solutes are investigated, using the positron as a probe. For a better interpretation of the data, both the lifetime specroscopy and the Doppler broadening of annihilation line shape technique are used. All solutes inhibit the positronium (Ps) formation, by the scavenging of electron. The first series consists of the halate ions, that should follow the Hunt linear relation between the rate constant for reaction with the solvated electrons, ksub(e - sub(aq)+S) and that for its precursors(s), 1/C 37 . The Ps inhibition constants, k, are 0.14, 1.44 and 3.45M -1 for ClO 3 - , BrO 3 - and IO 3 - respectively. This sequence is quantitatively consistent with that of the respective ksub(e - sub(aq)+S). The second series includes the SeO 4 -- , Te(OH) 6 and BrO 4 - species, and the Ps inhibition constants are 5.62, 10.5 and 14.3 respectively. Theses values are much higher than expected from the ksub(e - sub(aq)+S) constants, on basis of the Hunt relation, in agreement with previous results from pulse radiolysis experiments

HNbO3 and HTaO3: new cubic perovskites prepared from LiNbO3 and LiTaO3 via ion exchange

International Nuclear Information System (INIS)

Rice, C.E.; Jackel, J.L.

1982-01-01

The synthesis of HNbO 3 and HTaO 3 from LiNbO 3 via ion exchange in hot aqueous acid solutions is reported. This reaction is accompanied by a topotactic structural transformation from the rhombohedral LiNbO 3 structure to the cubic perovskite structure; cell constants are a = 3.822(1) angstrom for HNbO 3 and 3.810(2) angstrom for HTaO 3 . These new compounds have been characterized by powder X-ray diffraction, thermogravimetric analysis, and solid-state NMR. They are electronic insulators and have low ionic conductivity. Evidence of partially proton-exchange phases Li/sub 1-x/H/sub x/MO 3 was also seen. The possible significance of this ion exchange reaction for devices using LiNbO 3 or LiTaO 3 is discussed

Produção de cultivares de brócolis de inflorescência única em condições de altas temperaturas

OpenAIRE

Seabra Junior,Santino; Neves,Jucimar F; Dias,Leonardo DE; Silva,Leandro B; Nodari,Ivan DE

2014-01-01

Este trabalho teve como objetivo avaliar o desempenho de cultivares de brócolis tipo inflorescência única produzidas em condições de altas temperaturas, de junho a setembro de 2012, em Cáceres-MT. O estudo foi conduzido utilizando-se delineamento em blocos casualizados, composto por quatro repetições e quinze cultivares de brócolis (Shiguemori, Lord Summer, Marathon, Imperial, Avenger, Salinas, Brócolis de Cabeça, Bozano, Legacy, BRO 68, ...

Oxyhalogen-Sulfur Chemistry: Kinetics and Mechanism of Oxidation ...

African Journals Online (AJOL)

The oxidation of N-acetylthiourea (ACTU) by acidic bromate has been studied by observing formation of bromine in excess bromate conditions. The reaction displays an induction period before formation of bromine. The stoichiometry of the reaction was determined to be 4:3: 4BrO3 ...

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

International Nuclear Information System (INIS)

Ling Jie; Albrecht-Schmitt, Thomas E.

2007-01-01

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

Parâmetros físico-químicos incomuns em água de abastecimento público de um município da região nordeste do Estado de São Paulo (Brasil | Unusual physico-chemical parameters in the public water supply of a town in the northeast of the São Paulo State (Brazil

Directory of Open Access Journals (Sweden)

Sergio Dovidauskas

2017-02-01

Full Text Available Amostras de águas de abastecimento público (n = 4347 de 88 municípios do nordeste do Estado de São Paulo (Brasil foram analisadas em 21 parâmetros físico-químicos: temperatura, condutividade (por condutimetria, cloro residual livre (colorimetria com N,N-dietil-p-fenilenodiamina, pH (potenciometria, cor aparente (espectrofotometria, turbidez (nefelometria, e concentrações de Li+, Na+, NH4+, K+, Ca2+, Mg2+, F-, ClO2-, BrO3-, Cl-, Br-, ClO3-, NO3-, PO43- e SO42- (cromatografia de íons. Os resultados foram submetidos à análise multivariada de dados. A análise de componentes principais das medianas de 12 variáveis (pH, condutividade, Li+, Na+, K+, Ca2+, Mg2+, Cl-, ClO3-, NO3-, PO43-, SO42- dos 88 municípios indicou Ibitinga como local com água de características físico-químicas únicas, caracterizada pelas concentrações relativas mais altas de sulfato, cloreto, lítio e sódio, e aos valores maiores de pH e condutividade. Em adição, Ibitinga foi o único município que apresentou sistematicamente brometo na composição da água. Uma segunda análise de componentes principais envolvendo as amostras de Ibitinga indicou uma amostra com concentrações mais altas de cloreto e sulfato, e quatro amostras nas quais a presença de nitrato foi característica. Análises de agrupamento hierárquico exibiram a formação dos mesmos grupos produzidos nas duas análises de componentes. A validação dos métodos cromatográficos também é apresentada. ================================================ Public water supply samples (n = 4347 from 88 municipalities in the northeast of the State of São Paulo (Brazil were analysed in 21 physico-chemical parameters: temperature, conductivity (by conductimetry, free residual chlorine (colorimetry with N,N-diethyl-p-phenylenediamine, pH (potentiometry, apparent color (spectrophotometry, turbidity (nephelometry, and concentrations of Li+, Na+, NH4+, K+, Ca2+, Mg2+, F-, ClO2-, BrO3-, Cl-, Br-, ClO3

Absolute rate constants for the reaction of NO with a series of peroxy radicals in the gas at 295 K

DEFF Research Database (Denmark)

Sehested, J.; Nielsen, O.J.; Wallington, T.J.

1993-01-01

The rate constants for the reaction of NO with a series of peroxy radicals: CH3O2, C2H5O2, (CH3)3CCH2O2, (CH3)3CC(CH3)2CH2O2, CH2FO2, CH2ClO2, CH2BrO2, CHF2O2, CF2ClO2, CHF2CF2O2, CF3CF2O2, CFCl2CH2O2 and CF2ClCH2O2 were measured at 298 K and a total pressure of 1 atm. The rate constants were...

Phase equilibria in the system Li2O - MoO3 - Sc2O3

International Nuclear Information System (INIS)

Safonov, V.V.; Chaban, N.G.; Porotnikov, N.V.

1984-01-01

Using the methods of DTA and X-ray phase analysis, interaction of components in the system Li 2 O-MoO 3 -Sc 2 O 3 in concentration range, adjacent to the vertex of MoO 3 , has been studied. Projection of the Li 2 MoO 4 -MoO 3 -Sc 2 (MoO 4 ) 3 system liquidus on concentrational triangle of the compositions Li 2 O-MoO 3 -Sc 2 O 3 , which consists of the fields of primary separation of Li 2 MoO 4 , Li 2 Mo 5 O 17 , Li 2 Mo 4 O 13 , MoO 3 , Sc 2 (MoO 4 ) 3 , Li 3 Sc(MoO 4 ) 3 and LiSc(MoO 4 ) 2 , is built

Ab initio hybrid DFT calculations of BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces

Energy Technology Data Exchange (ETDEWEB)

Eglitis, Roberts I., E-mail: rieglitis@gmail.com

2015-12-15

Highlights: • Surface energies for AO{sub 3}-term (111) surfaces are larger than for Ti (Zr)-term surfaces. • A increase of Ti−O (Zr−O) bond covalency near the ABO{sub 3} (111) surface relative to the bulk is observed. • The ABO{sub 3} (111) surface energy is larger than the earlier calculated (001) surface energy. • Band gap for PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces becomes smaller, but for BaTiO{sub 3} (111) larger with respect to the bulk . - Abstract: The results of ab initio calculations for polar BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces using the CRYSTAL code are presented. By means of the hybrid B3LYP approach, the surface relaxation has been calculated for two possible B (B = Ti or Zr) or AO{sub 3} (A = Ba, Pb or Sr) BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surface terminations. According to performed B3LYP calculations, all atoms of the first surface layer, for both terminations, relax inwards. The only exception is a small outward relaxation of the PbO{sub 3}-terminated PbTiO{sub 3} (111) surface upper layer Pb atom. B3LYP calculated surface energies for BaO{sub 3}, PbO{sub 3}, SrO{sub 3} and PbO{sub 3}-terminated BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces are considerably larger than the surface energies for Ti (Zr)-terminated (111) surfaces. Performed B3LYP calculations indicate a considerable increase of Ti−O (Zr−O) chemical bond covalency near the BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surface relative to the BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} bulk. Calculated band gaps at the Γ-point near the PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} (111) surfaces are reduced, but near BaTiO{sub 3} (111) surfaces increased, with respect to the BaTiO{sub 3}, PbTiO{sub 3}, SrZrO{sub 3} and PbZrO{sub 3} bulk band gap at the Γ-point values.

Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

Science.gov (United States)

Tas, E.; Peleg, M.; Pedersen, D. U.; Matveev, V.; Pour Biazar, A.; Luria, M.

2006-12-01

The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS) chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. The simulations showed that the high BrO levels measured frequently at the Dead Sea could only partially be attributed to the highly concentrated Br- present in the Dead Sea water. Furthermore, the RBS activity at the Dead Sea cannot solely be explained by a pure gas phase mechanism. This paper presents a chemical mechanism which can account for the observed chemical activity at the Dead Sea, with the addition of only two heterogeneous processes: the "Bromine Explosion" mechanism and the heterogeneous decomposition of BrONO2. Ozone frequently dropped below a threshold value of ~1 to 2 ppbv at the Dead Sea evaporation ponds, and in such cases, O3 became a limiting factor for the production of BrOx (BrO+Br). The entrainment of O3 fluxes into the evaporation ponds was found to be essential for the continuation of RBS activity, and to be the main reason for the jagged diurnal pattern of BrO observed in the Dead Sea area, and for the positive correlation observed between BrO and O3 at low O3 concentrations. The present study has shown that the heterogeneous decomposition of BrONO2 has a great potential to affect the RBS activity in areas influenced by anthropogenic emissions, mainly due to the positive correlation between the rate of this process and the levels of NO2. Further investigation of the influence of the decomposition of BrONO2 may be especially important in understanding the RBS activity at mid-latitudes.

Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

Directory of Open Access Journals (Sweden)

E. Tas

2006-01-01

Full Text Available The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. The simulations showed that the high BrO levels measured frequently at the Dead Sea could only partially be attributed to the highly concentrated Br− present in the Dead Sea water. Furthermore, the RBS activity at the Dead Sea cannot solely be explained by a pure gas phase mechanism. This paper presents a chemical mechanism which can account for the observed chemical activity at the Dead Sea, with the addition of only two heterogeneous processes: the "Bromine Explosion" mechanism and the heterogeneous decomposition of BrONO2. Ozone frequently dropped below a threshold value of ~1 to 2 ppbv at the Dead Sea evaporation ponds, and in such cases, O3 became a limiting factor for the production of BrOx (BrO+Br. The entrainment of O3 fluxes into the evaporation ponds was found to be essential for the continuation of RBS activity, and to be the main reason for the jagged diurnal pattern of BrO observed in the Dead Sea area, and for the positive correlation observed between BrO and O3 at low O3 concentrations. The present study has shown that the heterogeneous decomposition of BrONO2 has a great potential to affect the RBS activity in areas influenced by anthropogenic emissions, mainly due to the positive correlation between the rate of this process and the levels of NO2. Further investigation of the influence of the decomposition of BrONO2 may be especially important in understanding the RBS activity at mid-latitudes.

Conductivity of A- and B-site doped LaAlO3, LaGaO3, LaScO3 and LaInO3 perovskites

DEFF Research Database (Denmark)

Lybye, D.; Poulsen, F.W.; Mogensen, Mogens Bjerg

2000-01-01

The conductivity of the materials LaAlO3, LaGaO3, LaScO3 and LaInO3 all doped with 10% strontium on the A-site and 10% magnesium at the B-site has been measured at different temperatures and oxygen partial pressures. The doped LaGaO3 is found to be an almost pure ionic conductor with a conductivi...

modified BiFeO3–BaTiO3

Indian Academy of Sciences (India)

based perovskite structures lead- free BiFeO3–BaTiO3 solid solutions are popularly studied due to the high Curie temperature (TC). It was reported that the BiFeO3–BaTiO3 system possessed high piezoelectric. ∗. Author for correspondence ...

Homogeneity of peraluminous SiO2-B2O3-Al2O3-Na2O-CaO-Nd2O3 glasses: Effect of neodymium content

International Nuclear Information System (INIS)

Gasnier, E.; Bardez-Giboire, I.; Massoni, N.; Montouillout, V.; Pellerin, N.; Allix, M.; Ory, S.; Cabie, M.; Poissonnet, S.; Massiot, D.

2014-01-01

Considering the interest of developing new glass matrices able to immobilize higher concentration of high level nuclear wastes than currently used nuclear borosilicate compositions, glasses containing high rare earth contents are of particular interest. This study focuses on a peraluminous alumino borosilicate system SiO 2 -B 2 O 3 -Al 2 O 3 -Na 2 O-CaO-Nd 2 O 3 defined by a per-alkaline/peraluminous ratio RP = ([Na 2 O] + [CaO])/ ([Na 2 O] + [CaO] + [Al 2 O 3 ]) ≤ 0.5. Samples with various contents of Nd 2 O 3 from 0 to 10 mol% were studied using DSC, XRD, SEM, TEM, STEM and EMPA methods. The glasses present a high thermal stability even after a slow cooling treatment from the melt. Only a slight mullite crystallization is detected for low Nd 2 O 3 content (≤2.3 mol%) and crystallization of a neodymium borosilicate crystalline phase combined to a phase separation occurred at high Nd 2 O 3 content (≥8 mol%). The solubility of neodymium in the presence of aluminum is demonstrated, with higher neodymium incorporation amounts than in per-alkaline glasses. (authors)

Total column density variations of ozone (O3 O3 O3) in presence of ...

Indian Academy of Sciences (India)

−3). In case of O4, an absorbance of. O2–O2 by Greenblatt et al (1990) is calculated as absorbance A is given by: A = σ[O2]2 l,. (2) where l is the optical path length (cm), [O2] is the concentration of oxygen (molecules cm. −3), σ is the absorption cross section with the unit of cm5 molecule. −2. The absorption cross sections of.

Microstructure and dielectric parameters of epitaxial SrRuO3/BaTiO3/SrRuO3 heterostructures

Science.gov (United States)

Boikov, Yu. A.; Claeson, T.

2001-05-01

Epitaxial films of ferroelectric barium titanate are desirable in a number of applications but their properties are inferior to those of bulk material. Relations between microstructure and dielectric properties may give better understanding of limitations. Trilayer heterostructures SrRuO3/BaTiO3/SrRuO3 were grown by laser ablation on (100)LaAlO3 and (100)MgO substrates. The BaTiO3 layer was granular in structure. When grown on (100)SrRuO3/(100)LaAlO3, it was preferentially a-axis oriented due to tensile mechanical stress. Using (100)MgO as a substrate, on the other hand, produced a mixture of about equal value of a-axis and c-axis oriented grains of BaTiO3. The dielectric permittivity, ɛ, of the BaTiO3 layer was almost twice as large, at T>200 K and f=100 kHz, for the LaAlO3 substrate as compared to the MgO one. Its maximum value (ɛ/ɛ0≈6200) depended on temperature of growth, grain size, and electric field and compares well with optimal values commonly used for ceramic material. The maximum in the ɛ(T) shifted from about 370 to 320 K when the grain size in the BaTiO3 film decreased from 100 to 40 nm. At T300 K, hysteresis loops in polarization versus electric field were roughly symmetric. The BaTiO3 films grown on (100)SrRuO3/(100)MgO exhibit the largest remnant polarizations and coercive fields in the temperature range 100-380 K.

4-(3-Bromopropyloxy-1-hydroxy-9,10-anthraquinone

Directory of Open Access Journals (Sweden)

Natsumi Ohira

2016-05-01

Full Text Available In the molecule of the title compound, C17H13BrO4, the anthraquinone ring system is slightly bent, with a dihedral angle of 169.99 (7° between the planes of the two benzene rings. The side chain (O—C—C—C—Br has a gauche–gauche conformation, as indicated by the O—C—C—C and C—C—C—Br torsion angles of −66.9 (2 and −65.8 (2°, respectively. In addition, there is an intramolecular O—H...O hydrogen bond enclosing an S(6 ring motif. The hydrogen-bond donor is bifurcated; in the crystal, a pair of O—H...O hydrogen bonds connects two molecules, forming an inversion dimer with an R22(12 ring motif.

Al{sub 2}O{sub 3} reinforced nanoparticle ZrO{sub 2} (3at%?Y{sub 2}O{sub 3}); Al{sub 2}O{sub 3} reforcado com nanoparticulas de ZrO{sub 2}(3%mol Y{sub 2}O{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Cossu, C.M.F.A.; Alves, M.F.R.P.; Campos, L.Q.B.; Magnago, R.O.; Santos, C., E-mail: caio.cossu@usp.br [Universidade do Estado do Rio de Janeiro (UERJ), Resende, RJ (Brazil). Faculdade de Tecnologia; Simba, B.G. [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Guaratingueta, SP (Brazil). Faculdade de Engenharia

2016-07-01

This work developed a composite Al{sub 2}O{sub 3}-based reinforced with nanoparticles of ZrO{sub 2} (Y{sub 2}O{sub 3}), to evaluate the effect of the content of ZrO{sub 2} nanoparticles (Y{sub 2}O{sub 3}) on the mechanical properties. Mixtures containing a matrix of Al{sub 2}O{sub 3} with fractions in weight of 3%, 5%, 10% and 15%, ZrO{sub 2} (Y{sub 2}O{sub 3}), and were mixed in mortar mill. Mixtures received 5% polymeric binder (PVA); and after adding the binder, the material was pressed uniaxially to 50MPa, and then sintered at a temperature of 1600 ° C - 2h. The sintered products were characterized by X-ray diffraction, scanning electron microscopy (SEM), relative density, hardness and fracture toughness. The results of X-ray diffraction showed that Al{sub 2}O{sub 3} and tetragonal ZrO{sub 2} as crystal phases found after sintering. Furthermore, the relative green density of 55% was predominant in the compact; and after sintering, varied depending on the ZrO{sub 2} content, reaching 97% in sintered compositions with 3% ZrO{sub 2} nanoparticles (Y{sub 2O}3). The hardness of the samples showed values of 1670HV and the maximum toughness of 3.2 MPa × m{sup 1/2}, directly influenced by the presence of nanoparticles ZrO{sub 2} uniformly dispersed in the matrix Al{sub 2}O{sub 3}, which results in at least two main mechanisms tenacifiers: transformation of tetragonal-monoclinic phase of zirconia, and compressive residual strain between the two phases present, Al{sub 2}O{sub 3} and tetragonal ZrO{sub 2}. (author)

Development on UO3-K2O and MoO3-K2O binary systems and study of UO2MoO4-MoO3 domain within UO3-MoO3-K2O ternary system

International Nuclear Information System (INIS)

Dion, C.; Noel, A.

1983-01-01

This paper confirms the previous study on the MoO 3 -K 2 O system, and constitutes a clarity of the UO 3 -K 2 O system. Four distinct uranates VI with alkaline metal/uranium ratio's 2, 1, 0,5 and 0,285 exist. Preparation conditions and powder diffraction spectra of these compounds are given. Additional informations relative to K 2 MoO 4 allotropic transformations are provided. Study of UO 2 MoO 4 -K 2 MoO 4 diagram has brought three new phases into prominence: (B) K 6 UMo 4 O 18 incongruently melting point, (E) K 2 UMo 2 O 10 congruently melting and (F) K 2 U 3 Mo 4 O 22 incongruently melting point. Within MoO 3 -K 2 MoO 4 -UO 2 MoO 4 ternary system, no new phase is found. The general appearance of ternary liquidus and crystallization fields of several compounds are given. These three new compounds become identified with these of UO 2 MoO 4 -Na 2 MoO 4 binary system [fr

Subsolidus phase relations of Bi2O3-Nd2O3-CuO

International Nuclear Information System (INIS)

Sun Yezhou

1997-01-01

The subsolidus phase relations of the Bi 2 O 3 -Nd 2 O 3 -CuO ternary system and its binary systems along with crystallographic parameters of the compounds were investigated by X-ray powder diffraction and differential thermal analysis. The room temperature section of the phase diagram of the Bi 2 O 3 -Nd 2 O 3 -CuO system can be divided into two diphase regions and six triphase regions. No ternary compound was found. There exist two solid solutions (α, β) and a compound Bi 0.55 Nd 0.45 O 1.5 in the (Bi 2 O 2 ) 1-x (Nd 2 O 3 ) x system. Both solid solution α (0.05≤x≤0.30) and β (0.53≤x≤0.73) belong to the rhombohedral system (R3m). The lattice parameters represented by a hexagonal cell are a=3.9832(4), c=27.536(5) A for Bi 0.8 Nd 0.2 O 1.5 (α phase) and a=3.8826(3), c=9.727(1) A for Bi 0.4 Nd 0.8 O 1.5 (β phase). The Bi 0.55 Nd 0.45 O 1.5 compound crystallizes in a face-centered cubic (f.c.c.) lattice with a=5.5480(2) A. (orig.)

Al2O3-Cact-(CuO, Cr2O3, Co3O4 Adsorbents-Catalysts: Preparation and Characterization

Directory of Open Access Journals (Sweden)

Gitana DABRILAITĖ-KUDŽMIENĖ

2013-03-01

Full Text Available Al2O3-Cact-(CuO, Cr2O3 Co3O4 adsorbents-catalysts were prepared using Al2O3-Cact (alumina gel–activated carbon adsorbent and different amount of CuO, Cr2O3 and Co3O4. The active components were incorporated into wet alumina gel–carbon mixture using different conditions (by sol-gel method and mixing a milled metal oxides. Equilibrium adsorptive capacity measurements of alcohol vapours were carried out in order to determine the influence of preparation conditions on the stability of prepared adsorbents–catalysts. Specific surface area of the prepared adsorbents-catalysts were measured by BET method. It was established that for adsorbent-catalyst produced by sol-gel method SBET = 244.7 m2/g. Surface area SBET = 29.32 m2/g was obtained for adsorbent-catalyst with metal oxides. On the basis of these results it was assumed that active carbon was lost in this adsorbent-catalyst during the preparation process. Sol-gel derived adsorbent–catalyst was tested for the oxidation of methanol vapours. Catalytic oxidation was carried out in fixed-bed reactor. Experimental data indicate that adsorptive capacity of the adsorbent–catalyst is (3.232 – 3.259 mg/m3 CH3OH at relative air humidity is 40 % – 50 %. During a fast heating of CH3OH – saturated adsorbent-catalyst a part of adsorbate is converted to CO2 and H2O. Methanol conversion increases with increasing of adsorbent-catalyst heating rate.DOI: http://dx.doi.org/10.5755/j01.ms.19.1.3832

Studies of Eu2O3 - Bi2O3 - B2O3 glasses using Raman and IR spectroscopy

International Nuclear Information System (INIS)

Pop, Lidia; Culea, Eugen N.; Bratu, I.

2004-01-01

The bismuth borate (3Bi 2 O 3 ·B 2 O 3 ) glasses were prepared with different concentrations of Eu 3+ . The structure of these systems were investigated by Raman and IR spectroscopy. The structural study reveals that the glasses contain BiO 3 , BiO 6 , BO 3 , BO 4 and Eu-O structural units. For the samples with a higher content of Eu 2 O 3 , the spectra became very large indicating a more disordered structure. The hygroscopic character of the 3Bi 2 O 3 ·B 2 O 3 glass matrix and the progressive decrease of this behaviour with increasing the Eu 2 O 3 content was observed. Therefore, we conclude that the europium oxide acts as a network modifier in these glasses. (authors)

Electrical conduction of glasses in the system Fe2O3-Sb2O3-TeO2; Fe2O3-Sb2O3-TeO2 kei garasu no denki dendo

Energy Technology Data Exchange (ETDEWEB)

Qiu, Honghua; Mori, H; Sakata, H; Hirayama, T [Tokai Univ., Tokyo (Japan). Faculty of Engineering

1995-01-01

In this study, taking into consideration that TeO2 is a component of the glass network and Sb2O3 shows the redox effect in the glasses reducing its possibility of transformation of Sb{sup 3+} to Sb{sup 5+} as well as glass basicity, highly conductive tellurite based glasses have been prepared by the press-quenching method selecting the Fe2O3-Sb2O3-TeO2 system, and the electroconductive mechanism of the glasses has been examined by measuring its D.C. conductivity {sigma}. Part of the obtained information is as follows; the glass formation range of the Fe2O3-Sb2O3-TeO2 system has been 0 {le} Fe2O3 {le} 15mol%, 0 {le} Sb2O3 {le} 18mol% and 78 {le} TeO2 {le} 100mol% and about 15mol% of the additional amount of Fe2O3 has been the limit of glass formation. As the amount of Fe2O3 has increased, C{sub Fe} has also increased and with this, the linear electroconductivity of the glasses has increased from 1.86 {times} 10{sup -7}S{center_dot}cm{sup -1} to 1.62 {times} 10{sup -6}S{center_dot}cm{sup -1} and the glasses have been confirmed as the n-type semiconductor. The factor determining {sigma} of the glasses has been C{sub Fe} which has increased as the amount of Fe2O3 has increased. 34 refs., 8 figs., 2 tabs.

Evaluation of pre-treatments for inhibiting bromate formation during ozonation

DEFF Research Database (Denmark)

Antoniou, Maria; Andersen, Henrik Rasmus

2011-01-01

This study compared several pre-treatment methods for inhibiting BrO3- formation during ozonation of tap water, from the DTU campus, including H2O2 addition (perozone), pH-depression, NH4+ and Cl2/NH4+ addition. At the same time, the inhibition of atrazine and carbamazepine removal was evaluated...... close to the 10 μg/L limit, however atrazine removal did not exceed 75%. Carbamazepine was completely removed under all the tested experimental conditions with the 3.5 mg/L O3 dose....

Porous Na2O-B2O3-Nd2O3 material

Energy Technology Data Exchange (ETDEWEB)

De Villiers, D R; Res, M A; Richter, P W

1986-12-01

Substitution of SiO2 by Nd2O3 in the sodium borosilicate system produced glasses containing up to 50 mass% Nd2O3. Sodium borate was leached out of some of the materials to produce either a porous Nd2O3-rich glass or a porous glass-ceramic containing NdBO3, depending on the starting material. Surface areas of up to 190 mS g- were measured. Powder X-ray diffraction (XRD) revealed the NdBO3 to be the high-temperature form with low symmetry.

Metastable honeycomb SrTiO_3/SrIrO_3 heterostructures

International Nuclear Information System (INIS)

Anderson, T. J.; Ryu, S.; Podkaminer, J. P.; Ma, Y.; Eom, C. B.; Zhou, H.; Xie, L.; Irwin, J.; Rzchowski, M. S.; Pan, X. Q.

2016-01-01

Recent theory predictions of exotic band topologies in (111) honeycomb perovskite SrIrO_3 layers sandwiched between SrTiO_3 have garnered much attention in the condensed matter physics and materials communities. However, perovskite SrIrO_3 film growth in the (111) direction remains unreported, as efforts to synthesize pure SrIrO_3 on (111) perovskite substrates have yielded films with monoclinic symmetry rather than the perovskite structure required by theory predictions. In this study, we report the synthesis of ultra-thin metastable perovskite SrIrO_3 films capped with SrTiO_3 grown on (111) SrTiO_3 substrates by pulsed laser deposition. The atomic structure of the ultra-thin films was examined with scanning transmission electron microscopy (STEM), which suggests a perovskite layering distinct from the bulk SrIrO_3 monoclinic phase. In-plane 3-fold symmetry for the entire heterostructure was confirmed using synchrotron surface X-ray diffraction to measure symmetry equivalent crystal truncation rods. Our findings demonstrate the ability to stabilize (111) honeycomb perovskite SrIrO_3, which provides an experimental avenue to probe the phenomena predicted for this material system.

Cerium incorporated MCM-48 (Ce-MCM-48) as a catalyst to inhibit bromate formation during ozonation of bromide-containing water: Efficacy and mechanism.

Science.gov (United States)

Li, Weiwei; Lu, Xiaowei; Xu, Ke; Qu, Jiuhui; Qiang, Zhimin

2015-12-01

The composite mesoporous sieve Ce-MCM-48 (cerium incorporated MCM-48) with different Si/Ce molar ratios were synthesized hydrothermally and characterized with X-ray diffraction, X-ray photoelectron spectroscopy, BET surface area, and pHpzc. Results indicate that Ce-MCM-48, especially with a Si/Ce molar ratio of 66 (i.e., Ce66-MCM-48), could significantly inhibit bromate (BrO3(-)) formation during ozonation of Br(-)-containing water, achieving 91% of inhibition efficiency at pH 7.6 and 25 °C. An acidic or alkaline pH decreased the inhibition efficiency of Ce66-MCM-48 to some extent, but reaction temperature ranging from 15 to 30 °C had no significant impact. By comparing the bromine mass balance, aqueous O3 decomposition, and newly formed H2O2 between O3 and O3/Ce66-MCM-48 processes, the inhibition mechanism was proposed: Ce66-MCM-48 promoted aqueous O3 decomposition to generate hydroxyl radicals (OH) that could merge into H2O2, so the oxidative transformation of Br(-) and HOBr/OBr(-) by O3 and OH was primarily suppressed. The catalytic ability of Ce66-MCM-48 was continuously regenerated through the circulating reactions between Ce(III) and Ce(IV) occurring on the catalyst surface. Besides its inhibition on BrO3(-) formation, Ce66-MCM-48 could also enhance the degradation of refractory organic micropollutants. Because of these distinct merits, Ce66-MCM-48 has potential applications to water treatment by ozone. Copyright © 2015 Elsevier Ltd. All rights reserved.

Produção de cultivares de brócolis de inflorescência única em condições de altas temperaturas

OpenAIRE

Seabra Junior, Santino; Neves, Jucimar F; Dias, Leonardo DE; Silva, Leandro B; Nodari, Ivan DE

2014-01-01

Este trabalho teve como objetivo avaliar o desempenho de cultivares de brócolis tipo inflorescência única produzidas em condições de altas temperaturas, de junho a setembro de 2012, em Cáceres-MT. O estudo foi conduzido utilizando-se delineamento em blocos casualizados, composto por quatro repetições e quinze cultivares de brócolis (Shiguemori, Lord Summer, Marathon, Imperial, Avenger, Salinas, Brócolis de Cabeça, Bozano, Legacy, BRO 68, Bibou, Yahto, Calabrês de Cabeça, Romanesco e Green Sto...

Comparative study of phase structure and dielectric properties for K0.5Bi0.5TiO3-BiAlO3 and LaAlO3-BiAlO3

International Nuclear Information System (INIS)

Hou, Yudong; Zheng, Mupeng; Si, Meiju; Cui, Lei; Zhu, Mankang; Yan, Hui

2013-01-01

In this work, two perovskite-type compounds, K 0.5 Bi 0.5 TiO 3 and LaAlO 3 , have been selected as host material to incorporate with BiAlO 3 using a solid-state reaction route. The phase evolution and dielectric properties for both systems have been investigated in detail. For the K 0.5 Bi 0.5 TiO 3 -BiAlO 3 system, it is interesting to find that when using Bi 2 O 3 , Al 2 O 3 , K 2 CO 3 , and TiO 2 as starting materials, the formed compounds are K 0.5 Bi 0.5 TiO 3 -K 0.5 Bi 4.5 Ti 4 O 15 and Al 2 O 3 only plays a dopant role. There are two distinct dielectric peaks appearing in the patterns of temperature dependence of dielectric constant, corresponding to the phase-transition points of perovskite-type K 0.5 Bi 0.5 TiO 3 and Aurivillius-type K 0.5 Bi 4.5 Ti 4 O 15 , independently. In comparison, using Bi 2 O 3 , Al 2 O 3 , and La 2 O 3 as starting materials, the pure perovskite phase LaAlO 3 -BiAlO 3 can be obtained. Compared to the inherent paraelectric behavior in LaAlO 3 , the diffuse phase-transition phenomena can be observed in the LaAlO 3 -BiAlO 3 binary system, which corresponds well to the Vogel-Fulcher (VF) relationship. Moreover, compared to pure LaAlO 3 , the synthesized LaAlO 3 -BiAlO 3 compound shows enhanced dielectric properties, which are promising in application as gate dielectric materials. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The influence of SiO2 Addition on 2MgO-Al2O3-3.3P2O5 Glass

DEFF Research Database (Denmark)

Larsen, P.H.; Poulsen, F.W.; Berg, Rolf W.

1999-01-01

2MgO-Al2O3-3.3P2O5 glasses with increasing amounts of SiO2 are considered for sealing applications in Solid Oxide Fuel Cells (SOFC). The change in chemical durability under SOFC anode conditions and the linear thermal expansion is measured as functions of the SiO2 concentration. Raman spectroscopy...... analysis of the glasses reveals no sign of important changes in the glass structure upon SiO2 addition. Some increase in glass durability with SiO2 concentration is reported and its cause is discussed....

Surface and catalytic properties of MoO3/Al2O3 system doped with Co3O4

International Nuclear Information System (INIS)

Zahran, A.A.; Shaheen, W.M.; El-Shobaky, G.A.

2005-01-01

Thermal solid-solid interactions in cobalt treated MoO 3 /Al 2 O 3 system were investigated using X-ray powder diffraction. The solids were prepared by wet impregnation method using Al(OH) 3 , ammonium molybdate and cobalt nitrate solutions, drying at 100 deg. C then calcination at 300, 500, 750 and 1000 deg. C. The amount of MoO 3 , was fixed at 16.67 mol% and those of cobalt oxide were varied between 2.04 and 14.29 mol% Co 3 O 4 . Surface and catalytic properties of various solid samples precalcined at 300 and 500 deg. C were studied using nitrogen adsorption at -196 deg. C, conversion of isopropanol at 200-500 deg. C and decomposition of H 2 O 2 at 30-50 deg. C. The results obtained revealed that pure mixed solids precalcined at 300 deg. C consisted of AlOOH and MoO 3 phases. Cobalt oxide-doped samples calcined at the same temperature consisted also of AlOOH, MoO 3 and CoMoO 4 compounds. The rise in calcination temperature to 500 deg. C resulted in complete conversion of AlOOH into very poorly crystalline γ-Al 2 O 3 . The further increase in precalcination temperature to 750 deg. C led to the formation of Al 2 (MoO 4 ) 3 , κ-Al 2 O 3 besides CoMoO 4 and un-reacted portion of Co 3 O 4 in the samples rich in cobalt oxide. Pure MoO 3 /Al 2 O 3 preheated at 1000 deg. C composed of MoO 3 -αAl 2 O 3 solid solution (acquired grey colour). The doped samples consisted of the same solid solution together with CoMoO 4 and CoAl 2 O 4 compounds. The increase in calcination temperature of pure and variously doped solids from 300 to 500 deg. C increased their specific surface areas and total pore volume which suffered a drastic decrease upon heating at 750 deg. C. Doping the investigated system with small amounts of cobalt oxide (2.04 and 4 mol%) followed by heating at 300 and 500 deg. C increased its catalytic activity in H 2 O 2 decomposition. This increase, measured at 300 deg. C, attained 25.4- and 12.9-fold for the solids precalcined at 300 and 500 deg. C, respectively

Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)

Science.gov (United States)

Meng, Chang-Yu; Wei, Ming-Fang; Geng, Lei; Hu, Pei-Qing; Yu, Meng-Xia; Cheng, Wen-Dan

2016-07-01

Two new bismuth(III) selenite/tellurite nitrates, [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV-vis-NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P21/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi3O2)(SeO3)2](NO3) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi3O2)(SeO3)2](NO3) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi3O2)(SeO3)2] 3∞ with NO3- anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO3)](NO3) features 2D bismuth(III) tellurite [Bi(TeO3)2]2∞ layers separated by NO3- anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors.

Vertical structure of Antarctic tropospheric ozone depletion events: characteristics and broader implications

Directory of Open Access Journals (Sweden)

A. E. Jones

2010-08-01

Full Text Available The majority of tropospheric ozone depletion event (ODE studies have focussed on time-series measurements, with comparatively few studies of the vertical component. Those that exist have almost exclusively used free-flying balloon-borne ozonesondes and almost all have been conducted in the Arctic. Here we use measurements from two separate Antarctic field experiments to examine the vertical profile of ozone during Antarctic ODEs. We use tethersonde data to probe details in the lowest few hundred meters and find considerable structure in the profiles associated with complex atmospheric layering. The profiles were all measured at wind speeds less than 7 ms⁻¹, and on each occasion the lowest inversion height lay between 10 m and 40 m. We also use data from a free-flying ozonesonde study to select events where ozone depletion was recorded at altitudes >1 km above ground level. Using ERA-40 meteorological charts, we find that on every occasion the high altitude depletion was preceded by an atmospheric low pressure system. An examination of limited published ozonesonde data from other Antarctic stations shows this to be a consistent feature. Given the link between BrO and ODEs, we also examine ground-based and satellite BrO measurements and find a strong association between atmospheric low pressure systems and enhanced BrO that must arise in the troposphere. The results suggest that, in Antarctica, such depressions are responsible for driving high altitude ODEs and for generating the large-scale BrO clouds observed from satellites. In the Arctic, the prevailing meteorology differs from that in Antarctica, but, while a less common effect, major low pressure systems in the Arctic can also generate BrO clouds. Such depressions thus appear to be fundamental when considering the broader influence of ODEs, certainly in Antarctica, such as halogen export and the radiative influence of ozone-depleted air masses.

Solid-solid interactions in Co3O4-MoO3/MgO system

International Nuclear Information System (INIS)

Radwan, Nagi R.E.; Ghozza, Ahmed M.; El-Shobaky, Gamil A.

2003-01-01

Cobalt/magnesium mixed oxide solids and cobalt-molybdenum/magnesium mixed oxide solids were prepared by thermal decomposition of basic magnesium carbonate pretreated with different proportions of cobalt nitrate and then with calculated amounts of ammonium molybdate. The proportions of cobalt expressed as Co 3 O 4 were 0.1, 0.2 and 0.3 mol while the concentrations of molybdenum expressed as mol% MoO 3 were 2.5 and 5.0. The prepared mixed solid specimens were calcined in air at 400-1000 deg. C. The solid-solid interactions in Co 3 O 4 -MoO 3 were investigated using DTA, TG and X-ray powder diffraction (XRD) techniques. The results obtained revealed that MgO dissolved cobalt oxide in its lattice forming CoO-MgO solid solution. The amount of cobalt dissolved increases by increasing the temperature in the range 800-1000 deg. C. This finding was confirmed by X-ray diffractograms in which all the diffraction lines of cobalt oxide disappeared at 1000 deg. C. MoO 3 present interacted readily with MgO and cobalt oxide by heat treatment at temperature starting from 400 deg. C producing MgMoO 4 and CoMoO 4 which remained stable by heating at 1000 deg. C. The impregnation of basic magnesium carbonate with cobalt nitrate much enhanced its thermal decomposition yielding MgO, which decomposed completely at 395.5 deg. C instead of 525 deg. C. The formation of magnesium cobaltite (MgCo 2 O 4 ) has been ruled out via XRD investigation at relatively high diffraction angles

2-(4-Bromophenyl-2-oxoethyl 2-methylbenzoate

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2011-11-01

Full Text Available In the title compound, C16H13BrO3, the dihedral angle formed between the bromo- and methyl-substituted benzene rings is 66.66 (8°. In the crystal, molecules are linked by intermolecular C—H...O hydrogen bonds, forming a two-dimensional network parallel to the ac plane. The crystal packing is further consolidated by C—H...π interactions.

Solid state compatibility in the ZnO-rich region of ZnO-Bi2O3-Sb2O3 and ZnO-Bi2O3-Sb2O5 systems

Directory of Open Access Journals (Sweden)

Jardiel, T.

2010-04-01

Full Text Available The obtaining of ZnO-Bi2O3-Sb2O3 (ZBS based varistor thick films with high non-linear properties is constrained by the bismuth loss by vaporization that takes place during the sintering step of these ceramics, a process which is yet more critical in the thick film geometry due to its inherent high are/volume ratio. This volatilization can be controlled to a certain extent by modifying the proportions of the Bi and/or Sb precursors. Obviously this requires a clear knowledge of the different solid state compatibilities in the mentioned ZBS system. In this sense a detailed study of the thermal evolution of the ZnO-Bi2O3-Sb2O3 and ZnO-Bi2O3-Sb2O5 systems in the ZnO-rich region of interest for varistors, is presented in this contribution. A different behaviour is observed when using Sb2O3 or Sb2O5 as starting precursor, which should be attributed to the oxidation process experimented by Sb2O3 compound during the heating. On the other hand the use of high amounts of Bi in the starting formulation leads to the formation of a liquid phase at lower temperatures, which would allow the use of lower sintering temperatures.La obtención de varistors en lámina gruesa basados en ZnO-Bi2O3-Sb2O3 (ZBS y con propiedades altamente no-lineales está limitada por la perdida de bismuto por volatilización durante la sinterización de estos cerámicos, un proceso que es todavía más crítico en la geometría de lámina gruesa debido a su elevada relación área/volumen inherente. Dicha volatilización puede ser no obstante controlada hasta cierta extensión modificando las proporciones de los precursores de Bi y/o Sb. Obviamente ello conlleva un amplio conocimiento de las diferentes compatibilidades en estado sólido en el mencionado sistema ZBS. En este sentido, en la presente contribución se presenta un estudio detallado de la evolución térmica de los sistemas ZnO-Bi2O3-Sb2O3 y ZnO-Bi2O3-Sb2O5 en la región rica en ZnO de interés para varistores. Como

Magnetic properties of the alkali metal ozonides KO3, RbO3, and CsO3

International Nuclear Information System (INIS)

Lueken, H.; Deussen, M.; Jansen, M.; Hesse, W.; Schnick, W.

1987-01-01

The magnetic susceptibilities of KO 3 , RbO 3 and CsO 3 have been determined between 3.6 and 250 K. Above 50 K Curie-Weiss behaviour is observed. Magnetic moments of 1.74 μ B (KO 3 , CsO 3 ) and 1.80 μ B (RbO 3 ) calculated from the Curie-Weiss straight lines correspond with spin-only moments expected for isolated O 3 - species with one unpaired electron. The Weiss constants Θ are -34 K (KO 3 ), -23 K (RbO 3 ) and -10 K (CsO 3 ). The low temperature behaviour of KO 3 and RbO 3 (broad maxima in susceptibility at 20 and 17 K, respectively, and minima at 6 K) is typical of systems which show with decreasing temperature low-dimensional antiferromagnetic and three-dimensional magnetic ordering. Inspecting the intermolecular distances between oxygen atoms the pathways of exchange interactions are discussed. (author)

Interim Proposal for Molecular Beam Studies of Surfactants in Sulfuric Acid Aerosols: Comparisons Between Hydrocarbon and Fluorocarbon Alcohols

National Research Council Canada - National Science Library

Nathanson, Gilbert

2003-01-01

.... These processes include the acid-catalyzed reactions of HCI and HBr with CIONO2 (BrONO2) and HOCI (HOBr) to generate photoactive halogen molecules, particularly in colder regions of the stratosphere where they are more soluble in the water-rich aerosols...

Multiferroic BiFeO3-BiMnO3 Nanocheckerboard From First Principles

OpenAIRE

Palova, L.; Chandra, P.; Rabe, K. M.

2010-01-01

We present a first principles study of an unusual heterostructure, an atomic-scale checkerboard of BiFeO3-BiMnO3, and compare its properties to the two bulk constituent materials, BiFeO3 and BiMnO3. The "nanocheckerboard" is found to have a multiferroic ground state with the desired properties of each constituent: polar and ferrimagnetic due to BiFeO3 and BiMnO3, respectively. The effect of B-site cation ordering on magnetic ordering in the BiFeO3-BiMnO3 system is studied. The checkerboard ge...

Development and characterization of nickel catalysts supported in CeO2-ZrO2-Al2O3, CeO2-La2O3-Al2O3 e ZrO2-La2O3-Al2O3 matrixes evaluated for methane reforming reactions

International Nuclear Information System (INIS)

Abreu, Amanda Jordão de

2012-01-01

Nowadays, the methane reforming is large interest industrial for the take advantage of these gas in production the hydrogen and synthesis gas (syngas). Among in the reactions of methane stand of the reactions steam reforming and carbon dioxide reforming of methane. The main catalysts uses in the methane reforming is Ni/Al 2 O 3 . However, the supported-nickel catalyst is susceptible to the deactivation or the destruction by coke deposition. The carbon dissolves in the nickel crystallite and its diffuses through the nickel, leading for formation of the carbon whiskers, which results in fragmentation of the catalyst. Modification of such catalysts, like incorporation of suitable promoters, is desirable to achieve reduction of the methane hydrogenolysis and/or promotion of the carbon gasification. Catalysts 5%Ni/Al 2 O 3 supported on solid solutions formed by ZrO 2 -CeO 2 , La 2 O 3 and CeO 2 -ZrO 2 -La 2 O 3 were prepared, characterized and evaluated in reactions steam and carbon dioxide reforming and partial oxidation of methane with objective the value effect loading solution solid in support. The supports were prepared by co-precipitation method and catalysts were prepared by impregnation method and calcined at 500 deg C. The supports and catalysts were characterized by Nitrogen Adsorption, method -rays diffraction (XRD), X-rays dispersive spectroscopy (XDS), spectroscopy in the region of the ultraviolet and the visible (UV-vis NIR) to and temperature programmed reduction (TPR), Raman Spectroscopy, X-ray absorption spectroscopy and Thermogravimetric Analysis. After all the catalytic reactions check which the addition of solid solution is beneficial for Ni/Al 2 O 3 catalysts and the best catalysts are Ni/CeO 2 -La 2 O 3 -Al 2 O 3 . (author)

A new molybdenum trioxide hydrate MoO3.1/3H2O and a new monoclinic form of MoO3

International Nuclear Information System (INIS)

Harb, F.; Gerand, B.; Nowogrocki, G.; Figlarz, M.

1986-01-01

A new hydrate of molybdenum trioxide MoO 3 .1/3H 2 O has been obtained by hydrothermal treatment at 110 0 C of either aqueous suspensions of MoO 3 .2H 2 O or aqueous molybdic acid solutions. The hydrate crystallizes in the orthorhombic system, lattice parameters are given; a structural model is proposed by comparison with the isostructural WO 3 .1/3H 2 O phase. The dehydration of MoO 3 .1/3H 2 O leads to a new anhydrous molybdenum trioxide, monoclinic, the structure of which is of ReO 3 type [fr

Relaxation electron excitations in Al2O3, Y3Al5O12 and YAlO3

International Nuclear Information System (INIS)

Kuznetsov, A.I.; Namozov, B.R.; Myurk, V.V.

1985-01-01

Excitation spectra of short-wave Al 2 O 3 , YAlO 3 and Y 3 Al 5 O 12 crystal luminescence, cathodoluminescence (including time resolution) and lay-temperature thermoluminescence are investigated. Analysis of experimental data permits to distingnish among these objects pairs of bands of supposedly characteristic luminescences: 7.5 and 3.8 eV (Al 2 O 3 ), 5.9 and 4.2 eV (YAlO 3 ), and 4.9 and 4.2 eV (Y 3 Al 5 O 12 ), where recombination luminescence is characteristic for long-wave ones, at that time exciton-like luminescence - for short-wave ones. A hypothesis about strong difference between states of an autolocalized exciton and ''autolocalized hole + electron'' (responsible for short-wave and long-wave bands of characteristic luminescence) is expressed; the difference is based on their genetic origin from different regions of a valent zone (in particular, long-wave bands - from the subzone of heavy holes of a valent zone ceiling, originating from nonbinding 2p-orbitals of oxygen)

A ferroelectric switchable tunnel junction: KNbO{sub 3}/SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Rahmanizadeh, Kourosh; Bihlmayer, Gustav; Wortmann, Daniel; Bluegel, Stefan [Peter Gruenberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Juelich and JARA, 52425 Juelich (Germany)

2012-07-01

The properties of thin oxide films and multilayers are strongly influenced by defects and, therefore, can be controllably tuned by the defect concentration at the interface. For example, due to the charge discontinuity at the SrTiO{sub 3}/KO-KNbO{sub 3}-NbO{sub 2}/SrTiO{sub 3} interface only one direction of polarization in KNbO{sub 3} film is stable. A switchable polarization in KNbO{sub 3} can be realized by creating (oxygen) defects at the interfaces. We carried out density functional theory (DFT) calculations based on the full potential linearized augmented planewave (FLAPW) method as implemented in the FLEUR code for studying the polar interface SrTiO{sub 3}/KNbO{sub 3} and a SrRuO{sub 3}/SrTiO{sub 3}/KNbO{sub 3} tunnel junction. The electronic transport properties of the switchable multiferroic SrRuO{sub 3}/SrTiO{sub 3}/KO-KNbO{sub 3}-NbO{sub 3}/SrTiO{sub 3}/SrRuO{sub 3} heterostructure have been investigated using an embedded Green-function approach. A strong dependence of the (magneto electric) transport properties on the polarization is observed.

Methanesulfonates of high-valent metals. Syntheses and structural features of MoO_2(CH_3SO_3)_2, UO_2(CH_3SO_3)_2, ReO_3(CH_3SO_3), VO(CH_3SO_3)_2, and V_2O_3(CH_3SO_3)_4 and their thermal decomposition under N_2 and O_2 atmosphere

International Nuclear Information System (INIS)

Betke, Ulf; Neuschulz, Kai; Wickleder, Mathias S.

2011-01-01

Oxide methanesulfonates of Mo, U, Re, and V have been prepared by reaction of MoO_3, UO_2(CH_3COO)_2.2 H_2O, Re_2O_7(H_2O)_2, and V_2O_5 with CH_3SO_3H or mixtures thereof with its anhydride. These compounds are the first examples of solvent-free oxide methanesulfonates of these elements. MoO_2(CH_3SO_3)_2 (Pbca, a=1487.05(4), b=752.55(2), c=1549.61(5) pm, V=1.73414(9) nm"3, Z=8) contains [MoO_2] moieties connected by [CH_3SO_3] ions to form layers parallel to (100). UO_2(CH_3SO_3)_2 (P2_1/c, a=1320.4(1), b=1014.41(6), c=1533.7(1) pm, β=112.80(1) "c"i"r"c"l"e, V=1.8937(3) nm"3, Z=8) consists of linear UO_2"2"+ ions coordinated by five [CH_3SO_3] ions, forming a layer structure. VO(CH_3SO_3)_2 (P2_1/c, a=1136.5(1), b=869.87(7), c=915.5(1) pm, β=113.66(1) "c"i"r"c"l"e, V=0.8290(2) nm"3, Z=4) contains [VO] units connected by methanesulfonate anions to form corrugated layers parallel to (100). In ReO_3(CH_3SO_3) (P anti 1, a=574.0(1), b=1279.6(3), c=1641.9(3) pm, α=102.08(2), β=96.11(2), γ=99.04(2) "c"i"r"c"l"e, V=1.1523(4) nm"3, Z=8) a chain structure exhibiting infinite O-[ReO_2]-O-[ReO_2]-O chains is formed. Each [ReO_2]-O-[ReO_2] unit is coordinated by two bidentate [CH_3SO_3] ions. V_2O_3(CH_3SO_3)_4 (I2/a, a=1645.2(3), b=583.1(1), c=1670.2(3) pm, β=102.58(3), V=1.5637(5) pm"3, Z=4) adopts a chain structure, too, but contains discrete [VO]-O-[VO] moieties, each coordinated by two bidentate [CH_3SO_3] ligands. Additional methanesulfonate ions connect the [V_2O_3] groups along [001]. Thermal decomposition of the compounds was monitored under N_2 and O_2 atmosphere by thermogravimetric/differential thermal analysis and XRD measurements. Under N_2 the decomposition proceeds with reduction of the metal leading to the oxides MoO_2, U_3O_7, V_4O_7, and VO_2; for MoO_2(CH_3SO_3)_2, a small amount of MoS_2 is formed. If the thermal decomposition is carried out in a atmosphere of O_2 the oxides MoO_3 and V_2O_5 are formed. (Copyright copyright 2011 WILEY-VCH Verlag

Myeloperoxidase-produced Genomic DNA-centered Radicals and Protection by Resveratrol

Science.gov (United States)

Myeloperoxidase (MPO) released by activated neutrophils, production of hypochlorous acid (HOCI) and oxidation of the genomic DNA in epithelial cells is thought to initiate and promote carcinogenesis. In this study we applied the 5,5-dimethyl-l-pyrroline N-oxide (DMPO)-based i;nmu...

Phase relations in the SiC-Al2O3-Pr2O3 system

International Nuclear Information System (INIS)

Pan, W.; Wu, L.; Jiang, Y.; Huang, Z.

2016-01-01

Phase relations in the Si-Al-Pr-O-C system, including the SiC-Al 2 O 3 -Pr 2 O 3 , the Al 2 O 3 -Pr 2 O 3 -SiO 2 and the SiC-Al 2 O 3 -Pr 2 O 3 -SiO 2 subsystems, were determined by means of XRD phase analysis of solid-state-reacted samples fabricated by using SiC, Al 2 O 3 , Pr 2 O 3 and SiO 2 powders as the starting materials. Subsolidus phase diagrams of the systems were presented. Two Pr-aluminates, namely PrAlO 3 (PrAP) and PrAl 11 O 18 (β(Pr) β-Al 2 O 3 type) were formed in the SiC-Al 2 O 3 -Pr 2 O 3 system. SiC was compatible with both of them. Pr-silicates of Pr 2 SiO 5 , Pr 2 Si 2 O 7 and Pr 9.33 Si 6 O 26 (H(Pr) apatite type) were formed owing to presence of SiO 2 impurity in the SiC powder. The presence of the SiO 2 extended the ternary system of SiC-Al 2 O 3 -Pr 2 O 3 into a quaternary system of SiC-Al 2 O 3 -SiO 2 -Pr 2 O 3 (Si-Al-Pr-O-C). SiC was compatible with Al 2 O 3 , Pr 2 O 3 and the Pr-silicates. The effect of SiO 2 on the phase relations and liquid phase sintering of SiC ceramics was discussed.

ITO-free flexible organic photovoltaics with multilayer MoO3/LiF/MoO3/Ag/MoO3 as the transparent electrode

International Nuclear Information System (INIS)

Chen, Shilin; Dai, Yunjie; Zhang, Hongmei; Zhao, Dewei

2016-01-01

We present efficient flexible organic photovoltaics (OPVs) with multiple layers of molybdenum oxide (MoO 3 )/LiF/MoO 3 /Ag/MoO 3 as the transparent electrode, where the thin Ag layer yields high conductivity and the dielectric layer MoO 3 /LiF/MoO 3 has high transparency due to optical interference, leading to improved power conversion efficiency compared with indium tin oxide (ITO) based devices. The MoO 3 contacting organic active layer is used as a buffer layer for good hole extraction. Thus, the multilayer MoO 3 /LiF/MoO 3 /Ag/MoO 3 can improve light transmittance and also facilitate charge carrier extraction. Such an electrode shows excellent mechanical bendability with a 9% reduction of efficiency after 1000 cycles of bending due to the ductile nature of the thin metal layer and dielectric layer used. Our results suggest that the MoO 3 /LiF/MoO 3 /Ag/MoO 3 multilayer electrode is a promising alternative to ITO as an electrode in OPVs. (paper)

Study of directionally solidified eutectic Al2O3-ZrO2(3%Y2O3 doped with TiO2

Directory of Open Access Journals (Sweden)

Peña, J. I.

2007-06-01

Full Text Available An study of directionally grown samples of the eutectic composition in the Al2O3-ZrO2 (3 mol% Y2O3 system, with small TiO2 additions (1 wt%, is presented. The microstructural changes induced by this addition are analysed using SEM (EDX techniques. The mechanical changes, when TiO2 is added, are studied by measuring the flexural strength by three point bending. Also, the toughness is determined by Vickers indentation method. When slow growth rates (10 mm/h are used, interpenetratred and homogeneous microstructure is obtained, independently of the TiO2 doping. When growth rates are higher (300 and 1000 mm/h the structure changes and the phases are organized in form of colonies or cells, which have smaller size when TiO2 is present. This size reduction is accompanied with an increase of the toughness.Este trabajo presenta un estudio de muestras crecidas direccionalmente del sistema Al2O3-ZrO2 (3 mol% Y2O3 en su composición eutéctica con pequeñas adiciones de óxido de titanio (1% de TiO2 en peso. Se analizan los cambios microestructurales inducidos por esta adición mediante SEM (EDX y se estudian los cambios en su comportamiento mecánico medido por flexión en tres puntos, así como la tenacidad de fractura mediante indentación Vickers. Con velocidades lentas de solidificación (10 mm/h se obtiene en ambos casos una microestructura homogénea e interpenetrada, mientras que a velocidades mayores, 300 y 1000 mm/h, se forma una estructura en las que las fases se organizan en forma de colonias o células, siendo éstas de menor tamaño en las muestras dopadas. Esta disminución en el tamaño viene acompañada de un aumento de la tenacidad de fractura medida por indentación.

Phase formation in K2O(K2CO3)-CdO-MoO3 system

International Nuclear Information System (INIS)

Tsirenova, G.D.; Tsybikova, B.A.; Bazarova, Zh.G.; Solodovnikov, S.F.; Zolotova, E.S.

2000-01-01

Phase formation in K 2 O(K 2 CO 3 )-CdO-MoO 3 system are studied by the methods of x-ray diffraction, thermal and crystal optical analyses. Three potassium-cadmium molybdates are detected: K 4 Cd(MoO 4 ) 3 with a new structure, alluodite-like K 4-2x Cd 1+x (MoO 4 ) 3 (0.26≤x≤0.38 at 470 Deg C) and K 4 CdMo 4 O 15 of K 4 MnMo 4 O 15 type. First of them decomposes in solid phase at 580 Deg C, and others melt incongruently at 720 and 515 Deg C correspondingly. It is established that K 4-2x Cd 1+x (MoO 4 ) 3 compound undergoes phase transition of the second type in the temperature interval of 500-550 Deg C. Phase diagram of quasibinary cross section K 2 MoO 4 -CdMoO 4 is plotted [ru

Electronic structure of Ti/sub 2/O/sub 3/, V/sub 2/O/sub 3/, and Cr/sub 2/O/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Bondarenko, T N; Zhurakovskii, E A; Dzeganovskii, V P [AN Ukrainskoj SSR, Kiev. Inst. Problem Materialovedeniya

1975-11-01

Electronic structure of oxides Ti/sub 2/O/sub 3/, V/sub 2/O/sub 3/, Cr/sub 2/O/sub 3/ was elucidated by means of X-ray and ESCA methods and the results were compared with the data obtained by other methods and with the available models of electronic structures. Energy diagram of V/sub 2/O/sub 3/ and common energy scale of X-ray spectra of Ti and Cr in Ti/sub 2/O/sub 3/ and Cr/sub 2/O/sub 3/ are presented. X-ray spectra show that these oxides possess the states which are related genetically to the M4p-states i.e. the X-ray data complement essentially to the result of optical and electrophysical measurements. MO and M/sub 2/O/sub 3/ compounds in the region of Fermi level have overlapping emission and absorption spectra which is specific to the matters with the metallic type of bonding. Actually TiO, VO, Ti/sub 2/O/sub 3/ and V/sub 2/O/sub 3/ have metallic type of bonding. However such overlap was observed in Cr/sub 2/O/sub 3/ as well whose forbidden zone according to photoconductivity measurments is about 3 eV. Absence of energy gap between emission and absorption spectra in Cr/sub 2/O/sub 3/ may be explained by traces of impurities which convert dielectrics conductors - impurities act as agents caus:ng filling or generation of vacancies rather than independent allowing additives. On the other hand this may be due to the defects in Cr/sub 2/O/sub 3/ lattice which may cause appearance of excited states in forbidden zone. These investigations enable to draw energy diagram of V/sub 2/O/sub 3/ and to combine the spectra of M in Ti/sub 2/O/sub 3/ into common energy scheme. Analysis of the diagram and combined spectra revealed great similarity in the electronic structures of M/sub 2/O/sub 3/ oxides (M - Ti, V, Cr) .

Violet-green excitation for NIR luminescence of Yb3+ ions in Bi2O3-B2O3-SiO2-Ga2O3 glasses.

Science.gov (United States)

Li, Weiwei; Cheng, Jimeng; Zhao, Guoying; Chen, Wei; Hu, Lili; Guzik, Malgorzata; Boulon, Georges

2014-04-21

60Bi(2)O(3)-20B(2)O(3)-10SiO(2)-10Ga(2)O(3) glasses doped with 1-9 mol% Yb(2)O(3) were prepared and investigated mainly on their violet-green excitation for the typical NIR emission of Yb(3+), generally excited in the NIR. Two violet excitation bands at 365 nm and 405 nm are related to Yb(2+) and Bi(3+). 465 nm excitation band and 480 nm absorption band in the blue-green are assigned to Bi(0) metal nanoparticles/grains. Yb-content-dependence of the excitation and absorption means that Bi(0) is the reduced product of Bi(3+), but greatly competed by the redox reaction of Yb(2+) ↔ Yb(3+). It is proved that the violet-green excitations result in the NIR emission of Yb(3+). On the energy transfer, the virtual level of Yb(3+)-Yb(3+) as well as Bi(0) dimers probably plays an important role. An effective and controllable way is suggested to achieve nano-optical applications by Bi(0) metal nanoparticles/grains and Yb(3+).

Investigation of phase relationships in subsolidus region of Ln2O3-MoO3-B2O3 systems

International Nuclear Information System (INIS)

Lysanova, C.V.; Dzhurinskij, B.F.; Komova, M.G.; Tananaev, I.V.

1983-01-01

Phase formation in subsolidus region of Ln 2 O 3 -MoO 3 B 2 O 3 systems (Ln-La, Nd) is studied. Three compounds with mixed oxyanions-boratomolybdates of LnMoBO 6 composition (Ln-La, Ce, Pr, Nd), Ln 2 MoB 2 O 9 (Ln-La, Ce, Pr, Nd, Sm, EU, Gde Tb) Ln 6 Mo 3 B 4 0 24 (Ln-Pr, Nd) are revealed and described

Electric Properties of Pb(Sb1/2Nb1/2)O3 PbTiO3 PbZrO3 Ceramics

Science.gov (United States)

Kawamura, Yasushi; Ohuchi, Hiromu

1994-09-01

Solid-solution ceramics of ternary system xPb(Sb1/2Nb1/2)O3 yPbTiO3 zPbZrO3 were prepared by the solid-state reaction of powder materials. Ceramic, electric, dielectric and piezoelectric properties and crystal structures of the system were studied. Sintering of the system xPb(Sb1/2Nb1/2)O3 yPbTiO3 zPbZrO3 is much easier than that of each end composition, and well-sintered high-density ceramics were obtained for the compositions near the morphotropic transformation. Piezoelectric ceramics with high relative dielectric constants, high radial coupling coefficient and low resonant resistance were obtained for the composition near the morphotropic transformation. The composition Pb(Sb1/2Nb1/2)0.075Ti0.45Zr0.475O3 showed the highest dielectric constant (ɛr=1690), and the composition Pb(Sb1/2Nb1/2)0.05Ti0.45Zr0.5O3 showed the highest radial coupling coefficient (kp=64%).

SAW propagation characteristics of TeO3/3C-SiC/LiNbO3 layered structure

Science.gov (United States)

Soni, Namrata D.

2018-04-01

Surface acoustic wave (SAW) devices based on Lithium Niobate (LiNbO3) single crystal are advantageous because of its high SAW phase velocity, electromechanical coupling coefficient and cost effectiveness. In the present work a new multi-layered TeO3/3C-SiC/128° Y-X LiNbO3 SAW device has been proposed. SAW propagation properties such as phase velocity, coupling coefficient and temperature coefficient of delay (TCD) of the TeO3/SiC/128° Y-X LiNbO3 multi layered structure is examined using theoretical calculations. It is found that the integration of 0.09λ thick 3C-SiC over layer on 128° Y-X LiNbO3 increases its electromechanical coupling coefficient from 5.3% to 9.77% and SAW velocity from 3800 ms‑1 to 4394 ms‑1. The SiC/128° Y-X LiNbO3 bilayer SAW structure exhibits a high positive TCD value. A temperature stable layered SAW device could be obtained with introduction of 0.007λ TeO3 over layer on SiC/128° Y-X LiNbO3 bilayer structure without sacrificing the efficiency of the device. The proposed TeO3/3C-SiC/128° Y-X LiNbO3 multi-layered SAW structure is found to be cost effective, efficient, temperature stable and suitable for high frequency application in harsh environment.

Bromine monoxide / sulphur dioxide ratios in relation to volcanological observations at Mt. Etna 2006–2009

Directory of Open Access Journals (Sweden)

G. Giuffrida

2012-12-01

Full Text Available Over a 3-yr period, from 2006 to 2009, frequent scattered sunlight DOAS measurements were conducted at Mt. Etna at a distance of around 6 km downwind from the summit craters. During the same period and in addition to these measurements, volcanic observations were made by regularly visiting various parts of Mt. Etna. Here, results from these measurements and observations are presented and their relation is discussed. The focus of the investigation is the bromine monoxide/sulphur dioxide (BrO / SO2 ratio, and its variability in relation to volcanic processes. That the halogen/sulphur ratio can serve as a precursor or indicator for the onset of eruptive activity was already proposed by earlier works (e.g. Noguchi and Kamiya 1963; Menyailov, 1975; Pennisi and Cloarec, 1998; Aiuppa et al., 2002. However, there is still a limited understanding today because of the complexity with which halogens are released, depending on magma composition and degassing conditions. Our understanding of these processes is far from complete, for example of the rate and mechanism of bubble nucleation, growth and ascent in silicate melts (Carroll and Holloway, 1994, the halogen vapour-melt partitioning and the volatile diffusivity in the melt (Aiuppa et al., 2009. With this study we aim to add one more piece to the puzzle of what halogen/sulphur ratios might tell about volcanic activities. Our data set shows an increase of the BrO / SO2 ratio several weeks prior to an eruption, followed by a decline before and during the initial phase of eruptive activities. Towards the end of activity or shortly thereafter, the ratio increases to baseline values again and remains more or less constant during quiet phases. To explain the observed evolution of the BrO / SO2 ratio, a first empirical model is proposed. This model suggests that bromine, unlike chlorine and fluorine, is less soluble in the magmatic melt than sulphur. By using the DOAS method to determine SO2, we actually

O3 Nanoparticles

KAUST Repository

Wang, Juan

2016-11-16

Ti2O3 nanoparticles with high performance of photothermal conversion are demonstrated for the first time. Benefiting from the nanosize and narrow-bandgap features, the Ti2O3 nanoparticles possess strong light absorption and nearly 100% internal solar–thermal conversion efficiency. Furthermore, Ti2O3 nanoparticle-based thin film shows potential use in seawater desalination and purification.

Structure of Ga2O3(ZnO)6: a member of the homologous series Ga2O3(ZnO)m

International Nuclear Information System (INIS)

Michiue, Yuichi; Kanke, Yasushi; Kimizuka, Noboru

2008-01-01

The structure of Ga 2 O 3 (ZnO) 6 was determined using singlecrystal X-ray diffraction techniques in the space group Cmcm. The metal ion sublattice resembles some of the Zn ions in the wurtzite ZnO structure. The oxygen ion sublattice in Ga 2 O 3 (ZnO) 6 also resembles some of the O ions in ZnO. Structural relationships between Ga 2 O 3 (ZnO) 6 and ZnO are discussed, illustrating the process for obtaining the centrosymmetric Ga 2 O 3 (ZnO) 6 structure from the noncentrosymmetric ZnO. Structures of phases in the homologous series Ga 2 O 3 (ZnO) m are predicted on the basis of the structural data for Ga 2 O 3 (ZnO) 6 . The structures of even m are constructed by simply extending the structure units seen in Ga 2 O 3 (ZnO) 6 , while those of odd m consist of structure units which are of different types from those used for even m. (orig.)

Structure and magnetic properties of La2/3Sr1/3MnO3/CaMnO3 multilayers

International Nuclear Information System (INIS)

Granada, Mara; Sirena, Martin; Steren, Laura B.; Leyva, Gabriela

2004-01-01

Structural and magnetic properties of manganite-based multilayers, La 2/3 Sr 1/3 MnO 3 /CaMnO 3 , composed of ferromagnetic metals and antiferromagnetic insulator barriers are investigated in this work. Compounds of similar lattice parameters were used to build the samples, so we expect an excellent stacking of the different layers along the structure. To get a first insight of this system, the crystalline structure of a series of samples, grown on (1 0 0) SrTiO 3 and (1 0 0) MgO single-crystalline substrates, has been studied. X-ray diffraction patterns show that the structure is strongly textured in the (1 0 0) direction when grown on SrTiO 3 , regardless the composition of the bottom layer. A different result is found on the same system grown on MgO: when the buffer layer is CaMnO 3 , the structure grows in the (1 1 0) orientation while it grows in the (1 0 0) direction when the bottom layer is La 2/3 Sr 1/3 MnO 3 . Magnetic coupling of the ferromagnetic layers across the antiferromagnetic spacer has been studied with magnetization measurements

Effects of Sm3+/Yb3+ co-doping and temperature on the Raman, IR spectra and structure of [TeO2-GeO2-K2O-Sm2O3/Yb2O3] glasses

International Nuclear Information System (INIS)

Shaltout, I.; Badr, Y.

2006-01-01

Effects of Sm 3+ /Yb 3+ co-doping on Raman scattering, IR absorption, temperature dependence of the Raman spectra up to 210 o C and the structure of two glass systems of the composition (80TeO 2 -10GeO 2 -8K 2 O-2Sm 2 O 3 /Yb 2 O 3 ) is discussed. It was found that the addition of Yb 3+ to the glass very strongly enhances the intensities of the antistokes' Raman bands at 155, 375, 557 and 828 cm -1 and quenches both the intensities of the stokes' vibration modes of the TeO 4 units in the range of 120-770 cm -1 and the intensities of the OH - stretching vibration modes in the range of 2600-3300 cm -1 . Sm 2 O 3 /Yb 2 O 3 rare earth co-doping has a great influence on removing and/or changing the nature of the OH - groups. The appearance and splitting of the stretching vibration modes of the OH - groups at lower frequencies (2770, 2970 cm -1 ) for the Sm +3 singly doped glass sample, compared to the band at ∼3200 cm -1 for the Sm 3+ /Yb 3+ co-doped glass sample, suggested that the OH - groups are more strongly bonded and incorporated with the glass matrix for the singly doped glass. Heating the sample up continuously weakens the hydrogen bonding of the OH - groups to the glass matrix leading to creation of NBO and breakdown of the connectivity of the OH - groups to the TeO 4 , TeO 3+1 and TeO 3 structural units. Raman bands at 286, 477, 666 and 769 cm -1 were assigned to its respective vibrations of Te 2 O 7 , TeO 4 -4 species, the (Te-O-Te) bending vibrations of the TeO 4 triagonal bipyramids (tbps), the axial symmetric stretching vibration modes (Te ax -O) s with bridging oxygen BO atoms and to the (Te-O) nbo non-bridging stretching vibration modes of the TeO 3+1 and/or TeO 3 pyramids

Effects of the Cr2O3 Content on the Viscosity of CaO-SiO2-10 Pct Al2O3-Cr2O3 Quaternary Slag

Science.gov (United States)

Wu, Tuo; Zhang, Yanling; Yuan, Fang; An, Zhuoqing

2018-04-01

The present study experimentally investigates the effect of Cr2O3 on the viscosity of molten slags. The viscosities of CaO-SiO2-10 pct Al2O3-Cr2O3 quaternary slags with two different binary basicities (R, basic slag with R = 1.2 and acidic slag with R = 0.8) were measured by the rotating cylindrical method from 1813 K to 1953 K (1540 °C to 1680 °C). The results showed that the viscosity of both types of slag decreased as the Cr2O3 content increased, but the viscosity of acidic slags exhibited a greater decrease. The slags showed good Newtonian behavior at such high temperatures. Cr2O3 could act as a network modifier to simplify the Si-O-Si tetrahedral structure, as verified by the Raman spectral analysis, which was consistent with the decreasing trend of viscosity. The activation energy of viscous flow decreased slightly with increasing Cr2O3, but increasing the basicity seemed to be more effective in decreasing the viscosity than adding Cr2O3.

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

Science.gov (United States)

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

2017-02-01

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

Directed laser processing of compacted powder mixtures Al2O3-TiO2-Y2O3

Directory of Open Access Journals (Sweden)

Vlasova M.

2013-01-01

Full Text Available The phase formation, microstructure and surface texture of laser treated ternary powder mixtures of Al2O3-TiO2-Y2O3 had been studied. Rapid high temperature heating and subsequent rapid cooling due to the directed movement of the laser beam forms concave ceramic tracks. Phase composition and microstructure of the tracks depends on the Al2O3 content and the TiO2/Y2O3 ratio of the initial mixtures. The main phases observed are Y3Al5O12, Y2Ti2O7, Al2O3 and Al2TiO5. Due to the temperature gradient in the heating zone, complex layered structures are formed. The tracks consist of three main layers: a thin surface layer, a layer of crystallization products of eutectic alloys, and a lower sintered layer. The thickness of the crystallization layer and the shrinkage of the irradiation zone depend on the amount of Y3Al5O12 and Al2O3 crystallized from the melt.

Crystal structure of bis-(μ-3-nitro-benzoato)-κ3O,O':O;κ3O:O,O'-bis-[bis-(3-cyano-pyridine-κN1)(3-nitro-benzoato-κ2O,O')cadmium].

Science.gov (United States)

Hökelek, Tuncer; Akduran, Nurcan; Özen, Azer; Uğurlu, Güventürk; Necefoğlu, Hacali

2017-03-01

The asymmetric unit of the title compound, [Cd 2 (C 7 H 4 NO 4 ) 4 (C 6 H 4 N 2 ) 4 ], contains one Cd II atom, two 3-nitro-benzoate (NB) anions and two 3-cyano-pyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB anions act as bidentate ligands through the carboxyl-ate O atoms. The centrosymmetric dinuclear complex is generated by application of inversion symmetry, whereby the Cd II atoms are bridged by the carboxyl-ate O atoms of two symmetry-related NB anions, thus completing the distorted N 2 O 5 penta-gonal-bipyramidal coordination sphere of each Cd II atom. The benzene and pyridine rings are oriented at dihedral angles of 10.02 (7) and 5.76 (9)°, respectively. In the crystal, C-H⋯N hydrogen bonds link the mol-ecules, enclosing R 2 2 (26) ring motifs, in which they are further linked via C-H⋯O hydrogen bonds, resulting in a three-dimensional network. In addition, π-π stacking inter-actions between parallel benzene rings and between parallel pyridine rings of adjacent mol-ecules [shortest centroid-to-centroid distances = 3.885 (1) and 3.712 (1) Å, respectively], as well as a weak C-H⋯π inter-action, may further stabilize the crystal structure.

Influence of B2O3 content on sintering behaviour and dielectric properties of La2O3-B2O3-CaO/Al2O3 glass-ceramic composites for LTCC applications

Science.gov (United States)

Wang, F. L.; Zhang, Y. W.; Chen, X. Y.; Mao, H. J.; Zhang, W. J.

2018-01-01

La2O3-B2O3-CaO glasses with different B2O3 content were synthesized by melting method to produce glass/ceramic composites in this work. XRD and DSC results revealed that the diminution of B2O3 content was beneficial to increase the crystallization tendency of glass and improve the quality of crystalline phase, while decreasing the effect of glass during sintering process as sintering aids. The choice of glass/ceramic mass ratio was also influenced by the B2O3 content of glass. Dense samples sintered at 875 ºC showed good dielectric properties which meet the requirement of LTCC applications: moderate dielectric constant (7.8-9.4) and low dielectric loss (2.0×10-3).

Ion-irradiation-induced phase transformation in rare earth sesquioxides (Dy2O3,Er2O3,Lu2O3)

International Nuclear Information System (INIS)

Tang, M.; Lu, P.; Valdez, J.A.; Sickafus, K.E.

2006-01-01

Polycrystalline pellets of cubic C-type rare earth structure (Ia3) Dy 2 O 3 , Er 2 O 3 , and Lu 2 O 3 were irradiated at cryogenic temperature (120 K) with 300 keV Kr ++ ions to a maximum fluence of 1x10 20 Kr/m 2 . Irradiated specimens were examined using grazing incidence x-ray diffraction and transmission electron microscopy. Ion irradiation leads to different radiation effects in these three materials. First, Dy 2 O 3 begins to transform to a monoclinic B-type rare earth structure (C2/m) at a peak dose of ∼5 displacements per atom (dpa) (corresponding to a fluence of 2x10 19 Kr/m 2 ). This transformation is nearly complete at a peak dose of 25 dpa (a fluence of 1x10 20 Kr/m 2 ). Er 2 O 3 also transforms to the B-type structure, but the transformation starts at a higher irradiation dose of about 15-20 dpa [a fluence of about (6-8)x10 19 Kr/m 2 ]. Lu 2 O 3 was found to maintain the C-type structure even at the highest irradiation dose of 25 dpa (a fluence of 1x10 20 Kr/m 2 ). No C-to-B transformation was observed in Lu 2 O 3 . The irradiation dose dependence of the C-to-B phase transformation observed in Dy 2 O 3 , Er 2 O 3 , and Lu 2 O 3 is closely related to the temperature dependence of the C-to-B phase transformation found in phase diagrams for these three materials

Effect of operational and water quality parameters on conventional ozonation and the advanced oxidation process O3/H2O2: Kinetics of micropollutant abatement, transformation product and bromate formation in a surface water.

Science.gov (United States)

Bourgin, Marc; Borowska, Ewa; Helbing, Jakob; Hollender, Juliane; Kaiser, Hans-Peter; Kienle, Cornelia; McArdell, Christa S; Simon, Eszter; von Gunten, Urs

2017-10-01

to reach a maximum concentration followed by a decrease of their concentrations for longer contact times. For the studied conditions, the TP's concentrations at the outlet of the reactors ranged from 0 to 61% of the initial parent compound concentration, CTZ being a more persistent TP against further oxidation than TRA-NOX. Finally, it was demonstrated in both reactors that the formation of bromate (BrO 3 - ), a potentially carcinogenic oxidation by-product, could be controlled by H 2 O 2 addition with a general improvement on micropollutant abatement. Post-treatment by granular activated carbon (GAC) filtration enabled the reduction of micropollutants and TPs concentrations but no changes in bromate were observed. The combined algae assay showed that water quality was significantly improved after oxidation and GAC post-treatment, driven by the abatement of the spiked pesticides (diuron and atrazine). Copyright © 2017 Elsevier Ltd. All rights reserved.

Interactions of a La{sub O.9}Sr{sub O.1}Ga{sub O.8}Mg{sub O.2}O{sub 3-{delta}} electrolyte with Fe{sub 2}O{sub 3}, Co{sub 2}O{sub 3} and NiO anode materials

Energy Technology Data Exchange (ETDEWEB)

Zhang, X.; Ohara, S.; Okawa, H.; Maric, R.; Fukui, T. [Japan Fine Ceramics Center, 2-4-1 Mutsuo, Atsuta-ku, 456-8587 Nagoya (Japan)

2001-01-02

In this study, the interactions of a Sr- and Mg-doped lanthanum gallate (LSGM with composition La{sub O.9}Sr{sub O.1}Ga{sub O.8}Mg{sub O.2}O{sub 3-{delta}}) electrolyte with Fe{sub 2}O{sub 3}, Co{sub 2}O{sub 3} and NiO as the anode starting materials were investigated. It was found that the order of reactivity of the LSGM with the three oxides was Co{sub 2}O{sub 3}>NiO>Fe{sub 2}O{sub 3}, and La-containing oxides were detected in these binary powder mixtures after firing. The anode performance was greatly influenced by the interaction. The Fe{sub 2}O{sub 3}-LSGM anode, mixed with 40 vol.% LSGM powder and sintered at 1150C, exhibited the highest initial performance in comparison with NiO-LSGM and Co{sub 2}O{sub 3}-LSGM anodes. It seems that Fe{sub 2}O{sub 3} is a possible anode starting material for a LSGM-based solid oxide fuel cell.

Neutron irradiation damage in Al2O3 and Y2O3

International Nuclear Information System (INIS)

Clinard, F.W. Jr.; Bunch, J.M.; Ranken, W.A.

1975-01-01

Two ceramics under consideration for use in fusion reactors, Al 2 O 3 and Y 2 O 3 , were irradiated in the EBR-II fission reactor at 650, 875, and 1025 0 K to fluences between 2 and 6 x 10 21 n/cm 2 (E greater than 0.1 MeV). Samples evaluated include sapphire, Lucalox, alumina, Y 2 O 3 , and Y 2 O 3 -10 percent ZrO 2 (Yttralox). All Al 2 O 3 specimens swelled significantly (1 to 3 percent), with most of the growth observed in sapphire along the c-axis at the higher temperatures. Al 2 O 3 samples irradiated at 875 to 1025 0 K contained a high density of small aligned ''pores''. Irradiated Y 2 O 3 -based ceramics exhibited dimensional stability and a defect content consisting primarily of unresolved damage and/or dislocation loops. The behavior of these ceramics under irradiation is discussed, and the relevance of fission neutron damage studies to fusion reactor applications is considered. (auth)

Tb3O2Cl[SeO3]2 and Tb5O4Cl3[SeO3]2: Oxide Chloride Oxoselenates(IV) of Trivalent Terbium with ''Lone-Pair'' Channel or Layer Structures

International Nuclear Information System (INIS)

Wontcheu, Joseph; Schleid, Thomas

2005-01-01

Orthorhombic Tb 3 O 2 Cl[SeO 3 ] 2 (Pnma; a = 535.16(4), b = 1530.51(9), c = 1081.72(7) pm; Z = 4) is formed by reacting a stoichiometric mixture of Tb 4 O 7 , Tb, TbCl 3 , and SeO 2 in a suitable molar ratio (12: 8: 7: 42) within seven days in an evacuated sealed silica tube at 850 C. The needle-shaped, colourless single crystals (light, water and air stable) exhibit one-dimensional strands [(Tb1) 3/3 (Tb2) 2/1 O 4/2 ] 5+ [O 2 Tb 3 ] 5+ along [100] formed by two parallel chains [OTb 4/2 ] 4+ of trans-edge connected [OTb 4 ] 10+ tetrahedra (d(O-Tb) = 220 - 231 pm) which share an extra edge per chain link. The crystal structure contains two crystallographically different Tb 3+ cations: Tb1 is coordinated as bicapped trigonal prism, while Tb2 resides in square antiprismatic coordination. The Se 4+ coordination is best described as Ψ 1 tetrahedral ([SeO 3 E] 2- ; E: non-binding electron pair). The non-binding ''lone-pair'' electrons of four [SeO 3 ] 2- groups and two Cl - anions form pseudo-hexagonal empty channels along [100] between four cationic double chains. Tb 5 O 4 Cl 3 [SeO 3 ] 2 was prepared likewise as plate-like, colourless single crystals by solid-state reaction of an admixture of Tb 4 O 7 , Tb, TbOCl, TbCl 3 , and SeO 2 (molar ratio: 9: 6: 21: 7: 28) in an evacuated sealed silica tube during seven days at 850 C. This compound crystallizes in the monoclinic system (C2/m; a = 1229.13(9), b = 546.17(4), c = 978.79(7) pm, β = 90.485(6) ; Z = 2) and contains three crystallographically different Tb 3+ cations in seven- and eightfold coordination of O 2- and Cl - anions, respectively. The crystal structure of Tb 5 O 4 Cl 3 [SeO 3 ] 2 is layered and built up of corrugated terbium-oxygen sheets [O 4 Tb 5 ] 7+ formed by edge- and vertex-shared [OTb 4 ] 10+ tetrahedra (d(O-Tb) = 226-232 pm) spreading parallel (001). The structure is strongly related to the ''lone-pair'' channel structures of Tb 2 O[SeO 3 ] 2 and Tb 3 O 2 Cl[SeO 3 ] 2 , where single ([OTb 2 ] 4

??????????? ??????????????? ????? ??????-???????? ????????????? ?????????? ??????? ?aO?Al2O3?TiO2 ??? ???????? ?????? ?????

OpenAIRE

???????, ????; ??????, ?????????

2011-01-01

? ????? ?????? ?????????? ???????? ?????????????? ??????????? ????????????? ??? ??????-????????? ???????????????? ?????????? ??????? ?aO?Al2O3?TiO2, ?? ???????? ??????? ? ???????????? ??????? ??? ???????? ? ?????? ????????? ?????? ?????. ???????? ?????????? ???????? ??? ??????????? ?????????? ??????? ????????? ???????????? ?????????? ??? ??????????? 12000?, ?? ????????? ?????????????? ????????????? ???????, ????????? ???? ? ?????????? ????? ???????? ??????? ???????????. ????????, ?? ?? ...

Synthesis and properties of γ-Ga2O3-Al2O3 solid solutions

Science.gov (United States)

Afonasenko, T. N.; Leont'eva, N. N.; Talzi, V. P.; Smirnova, N. S.; Savel'eva, G. G.; Shilova, A. V.; Tsyrul'nikov, P. G.

2017-10-01

The textural and structural properties of mixed oxides Ga2O3-Al2O3, obtained via impregnating γ-Al2O3 with a solution of Ga(NO3)3 and subsequent heat treatment, are studied. According to the results from X-ray powder diffraction, gallium ions are incorporated into the structure of aluminum oxide to form a solid solution of spinel-type γ-Ga2O3-Al2O3 up to a Ga2O3 content of 50 wt % of the total weight of the sample, accompanied by a reduction in the specific surface area, volume, and average pore diameter. It is concluded that when the Ga2O3 content exceeds 50 wt %, the β-Ga2O3 phase is observed along with γ-Ga2O3-Al2O3 solid solution. 71Ga and 27Al NMR spectroscopy shows that gallium replaces aluminum atoms from the tetrahedral position to the octahedral coordination in the structure of γ-Ga2O3-Al2O3.

Thermal behavior of GeO{sub 2} doped PbO-B{sub 2}O{sub 3}-ZnO-Bi{sub 2}O{sub 3} glasses

Energy Technology Data Exchange (ETDEWEB)

Cheng Yin [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Xiao Hanning [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)]. E-mail: hnxiao@hnu.cn; Guo Weiming [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Guo Wenming [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

2006-05-15

PbO-B{sub 2}O{sub 3}-ZnO-Bi{sub 2}O{sub 3} glass is a representative system for vacuum and electronic sealing. Effects of GeO{sub 2} on thermal properties of the glass have been investigated in this paper. Activation energy for crystallization, glass structure, the type of crystals were characterized by differential scanning calorimetry, infrared spectroscopy, X-ray diffraction and optical microscopy. Results indicate that the addition of GeO{sub 2} (0.4-2 wt.%) to PbO-B{sub 2}O{sub 3}-ZnO-Bi{sub 2}O{sub 3} glass can suppress crystallization of the glass and decrease the sealing temperature. With the increase of GeO{sub 2} content, germanate crystals were revealed, resulting in a slight increase of sealing temperature. When the content of GeO{sub 2} is 0.7 wt.%, the glass possesses the highest stability and lowest sealing temperature (400 deg. C), which is desirable for low-temperature sealing. The coefficient of thermal expansion of PbO-B{sub 2}O{sub 3}-ZnO-Bi{sub 2}O{sub 3} glass was measured by dilatometry. The result shows that the coefficient of thermal expansion of the glass increases with the content of GeO{sub 2}. The adjustability of the coefficient of thermal expansion would expand the applications of PbO-B{sub 2}O{sub 3}-ZnO-Bi{sub 2}O{sub 3} glass. A flexural strength of 28.3 MPa was obtained at the GeO{sub 2} content of 0.7 wt.%, showing good mechanical property for sealing process.

Combined use of O3/H2O2 and O3/Mn2+ in flotation of dairy wastewater

Directory of Open Access Journals (Sweden)

Marta Cristina Silva Carvalho

2018-05-01

Full Text Available This work investigated the degradation of organic matter present in synthetic dairy wastewater by the combination of ozonation (ozone (O3/hydrogen peroxide (H2O2 and catalytic ozonation (ozone (O3/manganese (Mn2+ associated with dispersed air flotation process. The effect of independent factors such as O3 concentration, pH and H2O2 and Mn2+ concentration was evaluated. For the flotation/O3/H2O2 treatment, the significant variables (p ≤ 0.05 were: O3 concentration (linear and quadratic effect, H2O2 concentration linear and quadratic effect, pH values (linear and quadratic effect and interaction O3 concentration versus pH. For catalytic ozonation, it was observed that the significant variable was the linear effect of O3 concentration. According to the desirability function, it was concluded that the optimal condition for the treatment of flotation/O3/H2O2 can be obtained in acidic solution using O3 concentrations greater than 42.9 mg L-1 combined with higher concentrations of H2O2 to 1071.5 mg L-1. On other hand, at pH values higher than 9.0, the addition of O3 may be neglected when using higher concentrations than 1071.5 mg L-1 of H2O2. For flotation/ozonation catalyzed by Mn2+, it was observed that metal addition did not affect treatment, resulting in an optimum condition: 53.8 mg L-1 of O3 and pH 3.6.

Studies on some uranium oxides in the composition range U O3 -U3 O8-z. Vol. 3

International Nuclear Information System (INIS)

El-Fekey, S.A.; El-Mamoon Yahia, M.; Abd El-Razek, A.M.

1996-01-01

Four different crystallographic modifications of U O 3 designated as α, β, γ and δ, as well as the amorphous (A)-U O 3 have been prepared by calcining washed and unwashed uranium peroxide, washed ammonium uranate, uranyl nitrate crystals, and U O 3 .H 2 O at different temperatures. The U O 3 powders obtained were calcined at 650 degree C for 3 h in nitrogen atmosphere. Methanol, ethanol, benzene, toluene, hexane, pentane, acetone, petroleum ether, and kerosene were used as organic liquids for apparent density measurements and kerosene was found most appropriate. The results indicated that the different densities of α, β and A-U O 3 are inversely proportional to uranium concentration and temperature during precipitation while directly proportional with duration and final pH. The sequence of density of U O 3 powders appeared as follows: β>γ>δ>α>A-U O 3 . The porosity of the U O 3 phases was calculated using the equation P=D T - D p . The sequence of porosity appeared as follows A-U O 3 >α>δ>γ>β. The stoichiometry of the U 3 O 8 phase was determined titrimetrically. The use of O/U sequence appeared as follows: δ>γ>α>A-U O 3 >β indicating that the stoichiometry of the U 3 O 8 phase depends on the porosity of the U O 3 from which it was prepared. 1 figs., 3 tabs

Polarized neutron reflectivity studies of magnetic oxidic Fe3O4/NiO and Fe3O4/CoO multilayers

NARCIS (Netherlands)

Ball, A.R.; Fredrikze, H.; Lind, D.M.; Wolf, R.M.; Bloemen, P.J.H.; Rekveldt, M.Th.; Zaag, van der P.J.

1996-01-01

The magnetic properties of [1 0 0] oriented Fe3O4/NiO and Fe3O4/CoO multilayers, MBE-grown on MgO(0 0 1) substrates, have been studied by polarized neutron reflectometry. In both samples, the Fe3O4 layer exhibits a depth-dependent magnetic profile characterized by a reduction in the magnetization

K(MoO24O3(AsO4

Directory of Open Access Journals (Sweden)

Raja Jouini

2013-06-01

Full Text Available A new compound with a non-centrosymmetric structure, potassium tetrakis[dioxomolybdenum(IV] arsenate trioxide, K(MoO24O3(AsO4, has been synthesized by a solid-state reaction. The [(MoO24O3(AsO4]+ three-dimensional framework consists of single arsenate AsO4 tetrahedra, MoO6 octahedra, MoO5 bipyramids and bioctahedral units of edge-sharing Mo2O10 octahedra. The [Mo2O8]∞ octahedral chains running along the a-axis direction are connected through their corners to the AsO4 tetrahedra, MoO6 octahedra and MoO5 bipyramids, so as to form large tunnels propagating along the a axis in which the K+ cations are located. This structure is compared with compounds containing M2O10 (M = Mo, V, Fe dimers and with those containing M2O8 (M = V chains.

Effects of Bi(Zn2/3Nb1/3)O3 Modification on the Relaxor Behavior and Piezoelectricity of Pb(Mg1/3Nb2/3)O3-PbTiO3 Ceramics.

Science.gov (United States)

Liu, Zenghui; Wu, Hua; Paterson, Alisa; Ren, Wei; Ye, Zuo-Guang

2017-10-01

Relaxor lead magnesium niobate (PMN)-based materials exhibit complex structures and unusual properties that have been puzzling researchers for decades. In this paper, a new ternary solid solution of Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 -Bi(Zn 2/3 Nb 1/3 )O 3 (PMN-PT-BZN) is prepared in the form of ceramics, and the effects of the incorporation of BZN into the PMN-PT binary system are investigated. The crystal structure favors a pseudocubic symmetry and the relaxor properties are enhanced as the concentration of BZN increases. The relaxor behavior and the related phase transformations are studied by dielectric spectroscopy. A phase diagram mapping out the characteristic temperatures and various states is established. Interestingly, the piezoelectricity of the PMN-PT ceramics is significantly enhanced by the BZN substitution, with an optimal value of d 33 reaching 826 pC/N for 0.96[0.7Pb(Mg 1/3 Nb 2/3 )O 3 -0.3PbTiO 3 ]-0.04Bi(Zn 2/3 Nb 1/3 )O 3 . This paper provides a better understanding of the relaxor ferroelectric behavior, and unveils a new relaxor-based ternary system as piezoelectric materials potentially useful for electromechanical transducer applications.

Comparison of Ba2YCu3O7-δ films on NdGaO3 and LaAlO3

International Nuclear Information System (INIS)

Phillips, J.M.; Siegal, M.P.; Perry, C.L.; Marshall, J.H.

1991-01-01

This paper studies the properties of 100 nm films of Ba 2 YCu 3 O 7-δ (BYCO) grown on LaAlO 3 (100) and NdGaO 3 (100) by co- evaporation of Cy, Y, and BaF 2 followed by a two-stage anneal ex situ. The authors find that the structural properties of the films on both substrates are optimized when the maximum temperature of the anneal is 900 degrees C, while the superconducting properties are slightly better if the maximum temperature does not exceed 875 degrees C. Films on LaAlO 3 can tolerate a longer time at the maximum annealing temperature than can films on NdGaP 3 . The authors postulate that this is due to a reaction between Ga in the NdGaO 3 and at least one of the constituents of the BYCO film (probably Y)

Dielectric enhancement of BaTiO3/SrTiO3 superlattices with embedded Ni nanocrystals

International Nuclear Information System (INIS)

Xiong Zhengwei; Sun Weiguo; Wang Xuemin; Jiang Fan; Wu Weidong

2012-01-01

Highlights: ► The BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs were successfully fabricated by L-MBE. ► The influence with the various concentrations of Ni nanocrystals embedded in BaTiO 3 /SrTiO 3 superlattices was also discussed. ► The BaTiO 3 /SrTiO 3 superlattices with lower concentration of embedded Ni NCs had higher permittivity and dielectric loss compared with the pure BaTiO 3 /SrTiO 3 superlattices. ► The dielectric enhancement of BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs was proposed to explained by Drude quasi-free-electron theory. - Abstract: The self-organized Ni nanocrystals (NCs) were embedded in BaTiO 3 /SrTiO 3 superlattices using laser molecular beam epitaxy (L-MBE). The stress of the composite films was increased with the increasing concentration of embedded Ni NCs, as investigation in stress calculation. The influence with the various concentrations of Ni NCs embedded in BaTiO 3 /SrTiO 3 superlattices was also discussed. The internal stress of the films was too strong to epitaxial growth of BaTiO 3 /SrTiO 3 superlattices. Compared with the pure BaTiO 3 /SrTiO 3 superlattices, the BaTiO 3 /SrTiO 3 superlattices with lower concentration of embedded Ni NCs had higher permittivity and dielectric loss. Furthermore, the dielectric enhancement of BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs was proposed to explained by Drude quasi-free-electron theory.

A note on structural and dielectric properties of BiFeO3- PbTiO3 and BiFeO3- PbZrO3 composites

International Nuclear Information System (INIS)

Satpathy, S. K.; Mohanty, N. K.; Behera, A. K.; Behera, B.; Nayak, P.

2015-01-01

The composites of BiFeO 3 -PbTiO 3 (BF-PT) and BiFeO 3 -PbZrO 3 (BF-PZ) were prepared by mixed oxide method. Room temperature X-ray diffraction data confirms the rhombohedral and tetragonal crystal structure respectively. Dielectric constant of BF-PZ is found to give high value compared to BF-PT and hence, there is an increase value of ac conductivity for the former. Both the composites show negative temperature coefficient of resistance (NTCR) behavior. The activation energies of BF-PT and BF-PZ are found to be 0.35 eV and 0.53 eV respectively. The d 33 coefficients are found to be 2.0 and 2.1 pC/N for BF-PT and BF-PZ respectively

The reaction of fluorine atoms with methanol: yield of CH3O/CH2OH and rate constant of the reactions CH3O + CH3O and CH3O + HO2.

Science.gov (United States)

Assaf, Emmanuel; Schoemaecker, Coralie; Vereecken, Luc; Fittschen, Christa

2018-04-25

Xenondifluoride, XeF2, has been photolysed in the presence of methanol, CH3OH. Two reaction pathways are possible: F + CH3OH → CH2OH + HF and F + CH3OH → CH3O + HF. Both products, CH2OH and CH3O, will be converted to HO2 in the presence of O2. The rate constants for the reaction of both radicals with O2 differ by more than 3 orders of magnitude, which allows an unequivocal distinction between the two reactions when measuring HO2 concentrations in the presence of different O2 concentrations. The following yields have then been determined from time-resolved HO2 profiles: φCH2OH = (0.497 ± 0.013) and φCH3O = (0.503 ± 0.013). Experiments under low O2 concentrations lead to reaction mixtures containing nearly equal amounts of HO2 (converted from the first reaction) and CH3O (from the second reaction). The subsequent HO2 decays are very sensitive to the rate constants of the reaction between these two radicals and the following rate constants have been obtained: k(CH3O + CH3O) = (7.0 ± 1.4) × 10-11 cm3 s-1 and k(CH3O + HO2) = (1.1 ± 0.2) × 10-10 cm3 s-1. The latter reaction has also been theoretically investigated on the CCSD(T)//M06-2X/aug-cc-pVTZ level of theory and CH3OH + O2 have been identified as the main products. Using μVTST, a virtually pressure independent rate constant of k(CH3O + HO2) = 4.7 × 10-11 cm3 s-1 has been obtained, in good agreement with the experiment.

Structure of sodium perbromate monohydrate

International Nuclear Information System (INIS)

Blackburn, A.C.; Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.

1992-01-01

NaBrO 4 .H 2 O, M r =184.90, monoclinic, C2/c, a=15.7575(19), b=5.7373(15), c=11.3390(19) A, β=111.193(10)deg. In this structure, there are two inequivalent Na ions, each coordinated by six O atoms. In each of the two types of distorted octahedra, there are three inequivalent Na-O distances; the average Na(1)-O and Na(2)-O distances are 2.379(10) and 2.405(23) A, respectively. The perbromate ion in this structure displays very nearly regular tetrahedral geometry, although it is subject to no symmetry constraints; the average observed Br-O distance is 1.601(4) A, while the average observed O-Br-O angle is 109.5(9)deg. These values agree well with previously reported values. The perbromate ion, but neither of the sodium coordination polyhedra, shows rigid-body behavior. The average rigid-body corrected Br-O distance in the perbromate ion is 1.624(3) A. Refinement of the two inequivalent H atoms permitted detailed analysis of the hydrogen bonding, which is slightly different from that reported for the isomorphic sodium perchlorate monohydrate. Dynamic disordering of the H atoms as detailed by magnetic resonance methods for sodium perchlorate monohydrate is not clearly indicated in our X-ray study of sodium perbromate monohydrate. (orig./GSCH)

Improvement of High-Temperature Stability of Al2O3/Pt/ZnO/Al2O3 Film Electrode for SAW Devices by Using Al2O3 Barrier Layer

Directory of Open Access Journals (Sweden)

Xingpeng Liu

2017-12-01

Full Text Available In order to develop film electrodes for the surface acoustic wave (SAW devices operating in harsh high-temperature environments, novel Al2O3/Pt/ZnO/Al2O3 multilayered film electrodes were prepared by laser molecular beam epitaxy (LMBE at 150 °C. The first Al2O3 layer was used as a barrier layer to prevent the diffusion of Ga, La, and Si atoms from the La3Ga5SiO14 (LGS substrate to the film electrode and thus improved the crystalline quality of ZnO and Pt films. It was found that the resistance of the Al2O3/Pt/ZnO/Al2O3 electrode did not vary up to a temperature of 1150 °C, suggesting a high reliability of electrode under harsh high-temperature environments. The mechanism of the stable resistance of the Al2O3/Pt/ZnO/Al2O3 film electrodes at high temperature was investigated by analyzing its microstructure. The proposed Al2O3/Pt/ZnO/Al2O3 film electrode has great potential for application in high-temperature SAW devices.

Lithium perbromate monohydrate at 296 and 173 K

International Nuclear Information System (INIS)

Blackburn, A.C.; Gerkin, R.E.

1995-01-01

Lithium tetraoxobromate(1-) monohydrate, LiBrO 4 .H 2 O, whose perchlorate analog has not yet been described, is found to be isomorphic with NaBrO 4 .H 2 O and NaClO 4 .H 2 O. Each of the two inequivalent Li ions is coordinated by six O atoms, thus forming distorted octahedra, each of which has three inequivalent Li-O distances. At room temperature, the average Li(1)-O and Li(2)-O distances are 2.150 and 2.164 A, respectively. The perbromate ion displays very nearly regular tetrahedral geometry, although it is not subject to symmetry constraints. At 296 K the average observed Br-O distance is 1.610 (4) A and the average O-Br-O angle is 109.5 (6) , while at 173 K the corresponding values are 1.613 (4) A and 109.5 (7) . The perbromate ion shows rigid-body behavior but the lithium coordination polyhedra do not. At 296 K, the average rigid-body corrected Br-O distance in the perbromate ion is 1.624 (3) A, in excellent agreement with the corresponding value reported for NaBrO 4 .H 2 O. Refinement of the two inequivalent H atoms allowed detailed analysis of the hydrogen bonding, which is more extensive than in NaBrO 4 .H 2 O or in NaClO 4 .H 2 O. The average observed B values for the H atoms [2.9 (3) A 2 at 296 K and 2.8 (3) A 2 at 173 K] are sufficiently small to suggest that dynamic disordering of the H atoms (determined by magnetic resonance methods for NaClO 4 .H 2 O) is not significant in the title salt. (orig.)

The primary volcanic aerosol emission from Mt Etna: Size-resolved particles with SO2 and role in plume reactive halogen chemistry

Science.gov (United States)

Roberts, T. J.; Vignelles, D.; Liuzzo, M.; Giudice, G.; Aiuppa, A.; Coltelli, M.; Salerno, G.; Chartier, M.; Couté, B.; Berthet, G.; Lurton, T.; Dulac, F.; Renard, J.-B.

2018-02-01

Volcanoes are an important source of aerosols to the troposphere. Within minutes after emission, volcanic plume aerosol catalyses conversion of co-emitted HBr, HCl into highly reactive halogens (e.g. BrO, OClO) through chemical cycles that cause substantial ozone depletion in the dispersing downwind plume. This study quantifies the sub-to-supramicron primary volcanic aerosol emission (0.2-5 μm diameter) and its role in this process. An in-situ ground-based study at Mt Etna (Italy) during passive degassing co-deployed an optical particle counter and Multi-Gas SO2 sensors at high time resolution (0.1 Hz) enabling to characterise the aerosol number, size-distribution and emission flux. A tri-modal volcanic aerosol size distribution was found, to which lognormal distributions are fitted. Total particle volume correlates to SO2 (as a plume tracer). The measured particle volume:SO2 ratio equates to a sulfate:SO2 ratio of 1-2% at the observed meteorological conditions (40% Relative Humidity). A particle mass flux of 0.7 kg s-1 is calculated for the measured Mt Etna SO2 flux of 1950 tonnes/day. A numerical plume atmospheric chemistry model is used to simulate the role of the hygroscopic primary aerosol surface area and its humidity dependence on volcanic plume BrO and OClO chemistry. As well as predicting volcanic BrO formation and O3 depletion, the model achieves OClO/SO2 in broad quantitative agreement with recently reported Mt Etna observations, with a predicted maximum a few minutes downwind. In addition to humidity - that enhances aerosols surface area for halogen cycling - background ozone is predicted to be an important control on OClO/SO2. Dependence of BrO/SO2 on ambient humidity is rather low near-to-source but increases further downwind. The model plume chemistry also exhibits strong across-plume spatial variations between plume edge and centre.

Fundamental absorption of Y2O3 and YAlO3

International Nuclear Information System (INIS)

Abramov, V.N.; Kuznetsov, A.I.

1978-01-01

Reflection spectra in the range of 4-14 eV were measured for Y 2 O 3 and YAlO 3 crystals. The spectra of the following optical characteristics were calculated with the aid of the Kramers-Kroning relation: absorption, refraction, dielectric constant, and effective number of electrons. Excitons with an energy of 6.0 eV and an oscillator strength of f approximately 0.1 were found in Y 2 O 3 , and the width of the forbidden zone was determined (approximately 6.1 eV). The scheme of genealogy and arrangement of the plane zones of Y 2 O 3 , in which a substantial role is attributed to interaction of 5s and 4d states of yttrium cations, is proposed and discussed at the qualitative level. The range of the beginning of fundamental absorption (hν > or approximately 7.5 eV) was determined for YAlO 3 . The composition dependence of the width of the forbidden zone of aluminated Ysub(x)Alsub(y)Osub(z) is plotted

Structure determinations for Ca3Ti2O7, Ca4Ti3O10, Ca3.6Sr0.4Ti3O10 and a refinement of Sr3Ti2O7

International Nuclear Information System (INIS)

Elcombe, M.M.; Kisi, E.H.; Hawkins, K.D.; White, T.J.; Goodman, P.; Matheson, S.

1991-01-01

The structures of the orthorhombic Ruddlesden-Popper (A n+1 B n X 3n+1 ) phases Ca 3 Ti 2 O 7 (n=2) refined from neutron powder diffraction data at λ=1.893 A. They consist of coherent intergrowths of perovskite (CaTiO 3 ) blocks, n TiO 6 octahedra thick, with single layers of CaO having a distorted NaCl configuration. TiO 6 octahedra are tilted and distorted in a very similar fashion to those in CaTiO 3 (n=∞). This fact was used to determine the space groups of the layered structures. Convergent-beam electron diffraction patterns are best matched by calculations in the above space groups which are thus confirmed. Octahedral tilt angles increase slightly in the sequence n=2, 3, ∞. Strontium addition reduces the octahedral tilt angles because of preferential substitution of Sr on the Ca sites within the perovskite blocks of Ca 4 Ti 3 O 10 . The algorithm used to produce starting models for structure refinements is thought to be generally applicable to Ruddlesden-Popper and possibly other layered perovskite structures. It furnishes the predictions: (a) all n-even compounds in the Ca n+1 Ti n O 3n+1 series will have space group Ccm2 1 , (b) all n-odd compounds in this series will have space group Pcab, (c) all A n+1 B n X 3n+1 series for which the n=∞ end member (ABX 3 ) is isostructural with CaTiO 3 will be isostructural with the compounds reported above (e.g. Ca n+1 Zr n O 3n+1 ). (orig./WL)

Ab initio calculations of PbTiO{sub 3}/SrTiO{sub 3} (001) heterostructures

Energy Technology Data Exchange (ETDEWEB)

Eglitis, R.I.; Piskunov, S.; Zhukovskii, Yu.F. [Institute of Solid State Physics, University of Latvia, 8 Kengaraga Str., 1063 Riga (Latvia)

2016-12-15

We performed ab initio calculations for the PbTiO{sub 3}/SrTiO{sub 3} (001) heterostructures. For both PbO and TiO{sub 2}-terminations of the PbTiO{sub 3} (001) thin film, augmented on the SrTiO{sub 3} (001) substrate, the magnitudes of atomic relaxations Δz increases as a function of the number of augmented monolayers. For both terminations of the augmented PbTiO{sub 3} (001) nanothin film, all upper, third and fifth monolayers are displaced inwards (Δz is negative), whereas all second, fourth and sixth monolayers are displaced outwards (Δz is positive). The B3PW calculated PbTiO{sub 3}/SrTiO{sub 3} (001) heterostructure band gaps, independently from the number of augmented layers, are always smaller than the PbTiO{sub 3} and SrTiO{sub 3} bulk band gaps. For both PbO and TiO{sub 2}-terminated PbTiO{sub 3}/SrTiO{sub 3}(001) heterostructures, their band gaps are reduced due to the increased number of PbTiO{sub 3} (001) monolayers. The band gaps of PbO-terminated augmented PbTiO{sub 3} (001) films are always larger than those for TiO{sub 2}-terminated PbTiO{sub 3} (001) thin films. The only exception is the case of 7-layer PbO-terminated and 8-layer TiO{sub 2}-terminated augmented PbTiO{sub 3} (001) thin films, where their band gaps both are equal to 2.99 eV. For each monolayer of the SrTiO{sub 3} (001) substrate, charge magnitudes always are more than several times larger, than for each monolayer in the augmented PbTiO{sub 3} (001) thin film. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

High quality TbMnO3 films deposited on YAlO3

International Nuclear Information System (INIS)

Glavic, Artur; Voigt, Joerg; Persson, Joerg; Su, Yixi; Schubert, Juergen; Groot, Joost de; Zande, Willi; Brueckel, Thomas

2011-01-01

Research highlights: → We found a good substrate and suitable deposition parameters to create untwinned, epitaxial thin films of TbMnO 3 . → Laboratory experiments prove the crystalline quality of the films. → We were able to measure the micro magnetic structure in the films by polarized neutron diffraction (to our knowledge the first neutron investigations on TbMnO 3 thin films). - Abstract: High quality thin films of TbMnO 3 were grown by pulsed laser deposition on orthorhombicYAlO 3 (1 0 0). The interface and surface roughness of a 55 nm thick film were probed by X-ray reflectometry and atomic force microscopy, yielding a roughness of 1 nm. X-ray diffraction revealed untwinned films and a small mosaic spread of 0.04 o and 0.2 o for out-of-plane and in-plane reflections, respectively. This high degree of epitaxy was also confirmed by Rutherford backscattering spectrometry. Using polarized neutron diffraction we could identify a magnetic structure with the propagation vector (0 0.27 0), identical to the bulk magnetic structure of TbMnO 3 .

Superior Properties of Energetically Stable La2/3Sr1/3MnO3/Tetragonal BiFeO3 Multiferroic Superlattices

KAUST Repository

Feng, Nan; Mi, Wenbo; Wang, Xiaocha; Cheng, Yingchun; Schwingenschlö gl, Udo

2015-01-01

The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.

Superior Properties of Energetically Stable La2/3Sr1/3MnO3/Tetragonal BiFeO3 Multiferroic Superlattices

KAUST Repository

Feng, Nan

2015-04-30

The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.

Epitaxial films of YBa2Cu3O/sub 7-//sub δ/ on NdGaO3, LaGaO3, and SrTiO3 substrates deposited by laser ablation

International Nuclear Information System (INIS)

Koren, G.; Gupta, A.; Giess, E.A.; Segmueller, A.; Laibowitz, R.B.

1989-01-01

Frequency-doubled Nd:YAG laser (532 nm) pulses of 1.7 J/cm 2 and 10 ns duration were used to deposit thin films of YBa 2 Cu 3 O/sub 7-//sub δ/ by laser ablation on NdGaO 3 , LaGaO 3 , and SrTiO 3 substrates held at 725 +- 5 0 C in 0.2 Torr of O 2 ambient. Electrical resistivities versus temperature of all films show normal metallic behavior and sharp superconducting transitions with T/sub c/ (R = 0) at 92--93 K. Critical current densities in 0.3--0.6 μm thick, 200 μm long, and 10--30 μm wide strips were measured to be 10 6 A/cm 2 at 60, 77, and 80 K in the films on LaGaO 3 , NdGaO 3 , and SrTiO 3 , respectively. X-ray diffraction patterns show that all films grew epitaxially, with domains of only two crystalline orientations rotated 90 0 with respect to each other in the a-b plane (consistent with twins), and the c axis perpendicular to the substrates. The closely matched lattice constants of the film and substrates (0.8--2.1%) result in epitaxial growth of the films

Rapid rate sintering of nanocrystalline ZrO2-3 mol% Y2O3

International Nuclear Information System (INIS)

Chen, D.J.; Mayo, M.J.

1996-01-01

Conventional ramp-and-hold sintering with a wide range of heating rates was conducted on submicrometer and nanocrystalline ZrO 2 -3 mol% Y 2 O 3 powder compacts. Although rapid heating rates have been reported to produce high density/fine grain size products for many submicrometer and smaller starting powders, the application of this technique to ZrO 2 -3 mol% Y 2 O 3 produced mixed results. In the case of submicrometer ZrO 2 -3 mol% Y 2 O 3 , neither densification nor grain growth was affected by the heating rate used. In the case of nanocrystalline ZrO 2 -3 mol% Y 2 O 3 , fast heating rates severely retarded densification and had a minimal effect on grain growth. The large adverse effect of fast heating rates on the densification of the nanocrystalline powder was traced to a thermal gradient/differential densification effect. Microstructural evidence suggests that the rate of densification greatly exceeded the rate of heat transfer in this material; consequently, the sample interior was not able to densify before being geometrically constrained by a fully dense shell which formed at the sample exterior. This finding implies that rapid rate sintering will meet severe practical constraints in the manufacture of bulk nanocrystalline ZrO 2 -3 mol% Y 2 O 3 specimens

O3 stars

International Nuclear Information System (INIS)

Walborn, N.R.

1982-01-01

A brief review of the 10 known objects in this earliest spectral class is presented. Two new members are included: HD 64568 in NGC 2467 (Puppis OB2), which provides the first example of an O3 V((f*)) spectrum; and Sk -67 0 22 in the Large Magellanic Cloud, which is intermediate between types O3 If* and WN6-A. In addition, the spectrum of HDE 269810 in the LMC is reclassified as the first of type O3 III (f*). The absolute visual magnitudes of these stars are rediscussed

O3 Nanoparticles

KAUST Repository

Wang, Juan; Li, Yangyang; Deng, Lin; Wei, Nini; Weng, Yakui; Dong, Shuai; Qi, Dianpeng; Qiu, Jun; Chen, Xiaodong; Wu, Tao

2016-01-01

Ti2O3 nanoparticles with high performance of photothermal conversion are demonstrated for the first time. Benefiting from the nanosize and narrow-bandgap features, the Ti2O3 nanoparticles possess strong light absorption and nearly 100% internal

Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

KAUST Repository

Nazir, Safdar

2011-03-31

Density functional theory is used to study the electronic properties of the oxide heterointerfaceCaHfO3/SrTiO3. Structural relaxation is carried out with and without O vacancies. As compared to related interfaces, strongly reduced octahedral distortions are found. Stoichiometric interfaces between the wide band gap insulatorsCaHfO3 and SrTiO3 turn out to exhibit an insulating state. However, interface metallicity is introduced by O vacancies, in agreement with experiment. The reduced octahedral distortions and necessity of O deficiency indicate a less complicated mechanism for the creation of the interfacial electron gas.

Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

KAUST Repository

Nazir, Safdar; Pulikkotil, J. J.; Schwingenschlö gl, Udo; Singh, Nirpendra

2011-01-01

Density functional theory is used to study the electronic properties of the oxide heterointerfaceCaHfO3/SrTiO3. Structural relaxation is carried out with and without O vacancies. As compared to related interfaces, strongly reduced octahedral distortions are found. Stoichiometric interfaces between the wide band gap insulatorsCaHfO3 and SrTiO3 turn out to exhibit an insulating state. However, interface metallicity is introduced by O vacancies, in agreement with experiment. The reduced octahedral distortions and necessity of O deficiency indicate a less complicated mechanism for the creation of the interfacial electron gas.

Broadband infrared luminescence from Li2O-Al2O3-ZnO-SiO2 glasses doped with Bi2O3.

Science.gov (United States)

Peng, Mingying; Qiu, Jianrong; Chen, Danping; Meng, Xiangeng; Zhu, Congshan

2005-09-05

The broadband emission in the 1.2~1.6mum region from Li2O-Al2O3-ZnO-SiO2 ( LAZS ) glass codoped with 0.01mol.%Cr2O3 and 1.0mol.%Bi2O3 when pumped by the 808nm laser at room temperature is not initiated from Cr4+ ions, but from bismuth, which is remarkably different from the results reported by Batchelor et al. The broad ~1300nm emission from Bi2O3-containing LAZS glasses possesses a FWHM ( Full Width at Half Maximum ) more than 250nm and a fluorescent lifetime longer than 500mus when excited by the 808nm laser. These glasses might have the potential applications in the broadly tunable lasers and the broadband fiber amplifiers.

Poly[[diaqua-μ4-pyrazine-2,3-dicarboxylato-κ6N,O2:O2′:O3,O3′:O3-strontium(II] monohydrate

Directory of Open Access Journals (Sweden)

Vahid Amani

2008-07-01

Full Text Available In the title compound, {[Sr(C6H2N2O4(H2O2]·H2O}n, the SrII ions are bridged by the pyrazine-2,3-dicarboxylate ligands with the formation of two-dimensional polymeric layers parallel to the ac plane. Each SrII ion is eight-coordinated by one N and five O atoms from the four ligands and two water molecules. The coordination polyhedron is derived from a pentagonal bipyramid with an O atom at the apex on one side of the equatorial plane and two O atoms sharing the apical site on the other side. The coordinated and uncoordinated water molecules are involved in O—H...O and O—H...N hydrogen bonds, which consolidate the crystal structure.

Lithium Insertion in LiCr3O8, NaCr3O8, and KCr3O8 at Room Temperature and at 125°C

DEFF Research Database (Denmark)

Koksbang, R.; Fauteux, D.; Norby, P.

1989-01-01

Lithium insertion and deinsertion reactions have been carried out with LiCr3O8, NaCr3O8, and KCr3O8 chemically andelectrochemically at room temperature and at 125°C. The electrochemical experiments were performed with a nonaqueousliquid electrolyte at room temperature and with a polymer electroly...... is close to 4Li/NaCr3O8 and 1.3Li/KCr3O8.Lithium ion diffusion coefficients are similar for the two compounds in the comparable composition range.Thermally, the fully lithiated compounds appear to be as stable as the pristine materials.......Lithium insertion and deinsertion reactions have been carried out with LiCr3O8, NaCr3O8, and KCr3O8 chemically andelectrochemically at room temperature and at 125°C. The electrochemical experiments were performed with a nonaqueousliquid electrolyte at room temperature and with a polymer electrolyte....... At elevated temperatures, the isostructural compounds NaCr3O8 and KCr3O8 are able to accommodate morethan 4Li/MCr3O8. During this process, minor structural changes are observed. At room temperature, NaCr3O8 and KCr3O8also accommodate Li topotactically, but the maximum number of Li inserted per formula...

Orthorhombic strontium titanate in BaTiO sub 3 -SrTiO sub 3 superlattices

CERN Document Server

Rios, S; Jiang, A Q; Scott, J F; Lü, H; Chen, Z

2003-01-01

It has been suggested by several authors that SrTiO sub 3 layers in SrTiO sub 3 -BaTiO sub 3 superlattices should be tetragonal and ferroelectric at ambient temperatures, like the BaTiO sub 3 layers, rather than cubic, as in bulk SrTiO sub 3 , and that free-energy minimization requires continuity of the polarization direction. A recent ab initio calculation constrained solutions to this structure. Surprisingly, our x-ray study shows that the SrTiO sub 3 layers are orthorhombic with 0.03% in-plane strain, with the BaTiO sub 3 c-axis matching the SrTiO sub 3 a- and b-axis better than the c-axis; strain energy overcomes the cost in electrostatic energy. (letter to the editor)

Prehistory effect on dielectric properties of NaNbO3-Gd1/3NbO3

International Nuclear Information System (INIS)

Burkhanov, A.I.; Bondarenko, P.V.; Shil'nikov, A.V.; Raevskaya, S.I.; Raevskij, I.P.

2006-01-01

One studied the low- and the infralow-frequency dielectric response of 0.9NaNbO 3 -0.1Gd 1/3 NbO 3 (NNG10) composition ceramics and single crystal at the material different prehistory. One revealed the differences in the nature of dielectric aging in NaNbO 3 antiferroelectric base material with a diffused phase transition in contrast to manifestation of similar phenomena in ferroelectrics-relaxors [ru

Estudo da viabilidade de obtenção de cerâmicas de SiC por infiltração espontânea de misturas eutéticas de Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN Study of the viability to produce SiC ceramics by Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN spontaneous infiltration

Directory of Open Access Journals (Sweden)

G. C. R. Garcia

2008-06-01

Full Text Available As cerâmicas de carbeto de silício, SiC, apresentam excelentes propriedades quando obtidas por infiltração de determinados líquidos. Na infiltração o tempo de contato entre o líquido e o SiC a temperaturas elevadas é muito curto, diminuindo a probabilidade de formação dos produtos gasosos que interferem negativamente na resistência da peça final, como ocorre na sinterização via fase líquida. O objetivo deste trabalho é mostrar uma correlação entre molhabilidade e capacidade de infiltração de alguns aditivos em compactos de SiC. Foram preparados compactos de SiC por prensagem isostática a frio e posterior pré-sinterização via fase sólida. Nesses compactos foram infiltradas misturas de Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN, nas composições eutéticas, 10 ºC acima da temperatura de fusão das respectivas misturas por 4, 8 e 12 min. Após infiltração, as amostras foram analisadas quanto à densidade aparente e real, fases cristalinas, microestrutura e grau de infiltração, sendo que as amostras infiltradas com Y2O3-AlN apresentaram melhores resultados.Silicon carbide ceramics, SiC, obtained by liquid infiltration have shown excellent properties. In infiltration process the contact time of the liquid with SiC at elevated temperature is short, decreasing the probability to form gaseous products that contribute negatively in the final product properties. This phenomenon occurs during SiC liquid phase sintering. The purpose of the present study was to investigate the correlation between wettability and infiltration tendency of some additives in SiC compacts. SiC compacts were prepared by cold isostatic pressing followed by solid phase pre-sintering. Into the compacts were introduced Y2O3-AlN, Y2O3-Al2O3, R2O3-AlN liquids with eutectic compositions at a temperature 10 ºC higher than the melting point of each mixture for 4, 8 and 12 min. Before infiltration, the samples were analyzed by determining densities, crystalline phases

Structure and crystallization of B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses

Energy Technology Data Exchange (ETDEWEB)

Cheng Yin, E-mail: zjbcy@126.co [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China); Xiao Hanning [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China); College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Shuguang Chen; Tang Bingzhong [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China)

2009-05-01

B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses with different B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratios of 0.4-1.3 were prepared by the melting-quenching method at 1500-1600 deg. C for 2 h. Fragility index F was used to estimate the glass-forming ability. The infrared (IR) absorption curves and differential scanning calorimetry (DSC) curves of the glasses have been investigated for estimating the influence of the B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratio on glass structure and crystallization of the B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glass system. The crystallization kinetics of the glasses were described by activation energy (E) for crystallization and calculated by the Kissinger method. X-ray diffraction (XRD) and SEM analyses were also used to describe the types and morphologies of the crystals precipitated from the B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} glasses. The results show that with the increase of B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratio, glass stability improves and the trend of crystallization decreases relatively. However, when the B{sub 2}O{sub 3}/Al{sub 2}O{sub 3} ratio reaches 1.3, boron-abnormal phenomenon appears and results in the raising trend of crystallization. Rod-like crystals of Al{sub 4}B{sub 2}O{sub 9} and Al{sub 20}B{sub 4}O{sub 36} were observed in the crystallized samples.

Kinetic Investigations on Pd(II) Catalyzed Oxidation of Some Amino ...

African Journals Online (AJOL)

Kinetic investigations on Pd(II) catalyzed oxidation of dl-serine and dl-threonine by acidic solution of potassium bromate in the presence of mercuric acetate, as a scavenger have been made in the temperature range of 30–45°C. The rate shows zero order kinetics in bromate [BrO3‾] and order of reaction is one with respect ...

Optical properties of the Na{sub 2}O-B{sub 2}O{sub 3}-Bi{sub 2}O{sub 3}-MoO{sub 3} glasses

Energy Technology Data Exchange (ETDEWEB)

Saddeek, Yasser B. [Physics Department, Faculty of Science, Al-Azhar University, P.O. 71452, Assiut (Egypt); Aly, K.A., E-mail: kamalaly2001@gmail.co [Physics Department, Faculty of Science, Al-Azhar University, P.O. 71452, Assiut (Egypt); Dahshan, A., E-mail: adahshan73@gmail.co [Department of Physics, Faculty of Science, Suez Canal University, Port Said (Egypt); Kashef, I.M.El. [Department of Physics, Faculty of Education, Suez Canal University, Al Arish (Egypt)

2010-04-02

Glasses with compositions (100 - x)Na{sub 2}B{sub 4}O{sub 7}-0.5Bi{sub 2}O{sub 3}-0.5MoO{sub 3}, with 0 {<=} x {<=} 40 mol% have been prepared using the melt quenching technique. The optical transmittance and reflectance spectrum of the glasses have been recorded in the wavelength range 300-1100 nm. The values of the optical band gap E{sub g}{sup opt} for indirect transition and refractive index have been determined for 0 {<=} x {<=} 40 mol%. The average electronic polarizability of the oxide ion {alpha}{sub O{sup 2-}} and the optical basicity have been estimated from the calculated values of the refractive indices. The variations in the different physical parameters such as the optical band gap, the refractive index, the average electronic polarizability of the oxide ion and the optical basicity with Bi{sub 2}O{sub 3} and MoO{sub 3} content have been analyzed and discussed in terms of the changes in the glass structure. The results are interpreted in terms of the increase in the number of non-bridging oxygen atoms, substitution of longer bond-lengths of Bi-O, and Mo-O in place of shorter B-O bond and the change in Na{sup +} ion concentration.

Overview of SCIAMACHY validation: 2002-2004

Science.gov (United States)

Piters, A. J. M.; Bramstedt, K.; Lambert, J.-C.; Kirchhoff, B.

2006-01-01

SCIAMACHY, on board Envisat, has been in operation now for almost three years. This UV/visible/NIR spectrometer measures the solar irradiance, the earthshine radiance scattered at nadir and from the limb, and the attenuation of solar radiation by the atmosphere during sunrise and sunset, from 240 to 2380 nm and at moderate spectral resolution. Vertical columns and profiles of a variety of atmospheric constituents are inferred from the SCIAMACHY radiometric measurements by dedicated retrieval algorithms. With the support of ESA and several international partners, a methodical SCIAMACHY validation programme has been developed jointly by Germany, the Netherlands and Belgium (the three instrument providing countries) to face complex requirements in terms of measured species, altitude range, spatial and temporal scales, geophysical states and intended scientific applications. This summary paper describes the approach adopted to address those requirements. Since provisional releases of limited data sets in summer 2002, operational SCIAMACHY processors established at DLR on behalf of ESA were upgraded regularly and some data products - level-1b spectra, level-2 O3, NO2, BrO and clouds data - have improved significantly. Validation results summarised in this paper and also reported in this special issue conclude that for limited periods and geographical domains they can already be used for atmospheric research. Nevertheless, current processor versions still experience known limitations that hamper scientific usability in other periods and domains. Free from the constraints of operational processing, seven scientific institutes (BIRA-IASB, IFE/IUP-Bremen, IUP-Heidelberg, KNMI, MPI, SAO and SRON) have developed their own retrieval algorithms and generated SCIAMACHY data products, together addressing nearly all targeted constituents. Most of the UV-visible data products - O3, NO2, SO2, H2O total columns; BrO, OClO slant columns; O3, NO2, BrO profiles - already have acceptable

Overview of SCIAMACHY validation: 2002–2004

Directory of Open Access Journals (Sweden)

A. J. M. Piters

2006-01-01

Full Text Available SCIAMACHY, on board Envisat, has been in operation now for almost three years. This UV/visible/NIR spectrometer measures the solar irradiance, the earthshine radiance scattered at nadir and from the limb, and the attenuation of solar radiation by the atmosphere during sunrise and sunset, from 240 to 2380 nm and at moderate spectral resolution. Vertical columns and profiles of a variety of atmospheric constituents are inferred from the SCIAMACHY radiometric measurements by dedicated retrieval algorithms. With the support of ESA and several international partners, a methodical SCIAMACHY validation programme has been developed jointly by Germany, the Netherlands and Belgium (the three instrument providing countries to face complex requirements in terms of measured species, altitude range, spatial and temporal scales, geophysical states and intended scientific applications. This summary paper describes the approach adopted to address those requirements. Since provisional releases of limited data sets in summer 2002, operational SCIAMACHY processors established at DLR on behalf of ESA were upgraded regularly and some data products – level-1b spectra, level-2 O3, NO2, BrO and clouds data – have improved significantly. Validation results summarised in this paper and also reported in this special issue conclude that for limited periods and geographical domains they can already be used for atmospheric research. Nevertheless, current processor versions still experience known limitations that hamper scientific usability in other periods and domains. Free from the constraints of operational processing, seven scientific institutes (BIRA-IASB, IFE/IUP-Bremen, IUP-Heidelberg, KNMI, MPI, SAO and SRON have developed their own retrieval algorithms and generated SCIAMACHY data products, together addressing nearly all targeted constituents. Most of the UV-visible data products – O3, NO2, SO2, H2O total columns; BrO, OClO slant columns; O3, NO2, BrO profiles

Electronic properties and surface reactivity of SrO-terminated SrTiO3 and SrO-terminated iron-doped SrTiO3.

Science.gov (United States)

Staykov, Aleksandar; Tellez, Helena; Druce, John; Wu, Ji; Ishihara, Tatsumi; Kilner, John

2018-01-01

Surface reactivity and near-surface electronic properties of SrO-terminated SrTiO 3 and iron doped SrTiO 3 were studied with first principle methods. We have investigated the density of states (DOS) of bulk SrTiO 3 and compared it to DOS of iron-doped SrTiO 3 with different oxidation states of iron corresponding to varying oxygen vacancy content within the bulk material. The obtained bulk DOS was compared to near-surface DOS, i.e. surface states, for both SrO-terminated surface of SrTiO 3 and iron-doped SrTiO 3 . Electron density plots and electron density distribution through the entire slab models were investigated in order to understand the origin of surface electrons that can participate in oxygen reduction reaction. Furthermore, we have compared oxygen reduction reactions at elevated temperatures for SrO surfaces with and without oxygen vacancies. Our calculations demonstrate that the conduction band, which is formed mainly by the d-states of Ti, and Fe-induced states within the band gap of SrTiO 3 , are accessible only on TiO 2 terminated SrTiO 3 surface while the SrO-terminated surface introduces a tunneling barrier for the electrons populating the conductance band. First principle molecular dynamics demonstrated that at elevated temperatures the surface oxygen vacancies are essential for the oxygen reduction reaction.

Magnetostriction of Hexagonal HoMnO3 and YMnO3 Single Crystals

Science.gov (United States)

Pavlovskii, N. S.; Dubrovskii, A. A.; Nikitin, S. E.; Semenov, S. V.; Terent'ev, K. Yu.; Shaikhutdinov, K. A.

2018-03-01

We report on the magnetostriction of hexagonal HoMnO3 and YMnO3 single crystals in a wide range of applied magnetic fields (up to H = 14 T) at all possible combinations of the mutual orientations of magnetic field H and magnetostriction Δ L/L. The measured Δ L/L( H, T) data agree well with the magnetic phase diagram of the HoMnO3 single crystal reported previously by other authors. It is shown that the nonmonotonic behavior of magnetostriction of the HoMnO3 crystal is caused by the Ho3+ ion; the magnetic moment of the Mn3+ ion parallel to the hexagonal crystal axis. The anomalies established from the magnetostriction measurements of HoMnO3 are consistent with the phase diagram of these compounds. For the isostructural YMnO3 single crystal with a nonmagnetic rare-earth ion, the Δ L/L( H, T) dependences are described well by a conventional quadratic law in a wide temperature range (4-100 K). In addition, the magnetostriction effect is qualitatively estimated with regard to the effect of the crystal electric field on the holmium ion.

Non-condensed (oxo)nitridosilicates: La{sub 3}-[SiN{sub 4}]F and the polymorph o-La{sub 3}-[SiN{sub 3}O]O

Energy Technology Data Exchange (ETDEWEB)

Durach, Dajana; Schnick, Wolfgang [Department of Chemistry, Chair in Inorganic Solid-State Chemistry, University of Munich (LMU) (Germany)

2015-08-15

The isotypic compounds La{sub 3}[SiN{sub 4}]F and La{sub 3}[SiN{sub 3}O]O were synthesized in a radio-frequency furnace at 1600 C. The crystal structures [Pnma (no. 62), Z = 4; La{sub 3}(SiN{sub 4})F: a = 9.970(3), b = 7.697(2), c = 6.897(2) Aa, V = 529.3(3) Aa{sup 3}; La{sub 3}(SiON{sub 3})O: a = 9.950(2), b = 7.6160(15), c = 6.9080(14) Aa, V = 523.48(18) Aa{sup 3}] were elucidated from single-crystal X-ray diffraction data and corroborated by Rietveld refinement, lattice-energy calculations (Madelung part of lattice energy, MAPLE) and Raman/FTIR spectroscopy. Both compounds are homeotypic with Na{sub 2}Pr[GeO{sub 4}]OH forming a network of vertex-sharing FLa{sub 6}/OLa{sub 6} octahedra, whose voids are filled with non-condensed SiN{sub 4}/SiN{sub 3}O tetrahedra. o-La{sub 3}[SiON{sub 3}]O is the orthorhombic polymorph of this compound, which probably represents the high-temperature modification, whereas the tetragonal polymorph t-La{sub 3}[SiON{sub 3}]O represents the low-temperature modification. While the space group of the t-polymorph [I4/mcm (no. 140)] differs from the new La{sub 3}[SiN{sub 4}]F and o-La{sub 3}[SiN{sub 3}O]O, the crystal structure contains the same linking pattern. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Study of structural phase transition in KD3 (Se O3)2 and Na H3(Se O3)2 by EPR

International Nuclear Information System (INIS)

Silva, J.C.M. da.

1988-01-01

The electron paramagnetic resonance of Se O - 2 centers in KD 3 (Se O 3 ) 2 and Na H 3 (Se O 3 ) 2 was done in the temperature ranges of -170 0 C o +80 0 C and +25 0 C to -185 0 C, respectively. (A.C.A.S.)

Effect of the Molar Ratio of B2O3 to Bi2O3 in Al Paste with Bi2O3-B2O3-ZnO Glass on Screen Printed Contact Formation and Si Solar Cell Performance

Science.gov (United States)

Kim, Bit-Na; Kim, Hyeong Jun; Chang, Hyo Sik; Hong, Hyun Seon; Ryu, Sung-Soo; Lee, Heon

2013-10-01

In this study, eco-friendly Pb-free Bi2O3-B2O3-ZnO glass frits were chosen as an inorganic additive for the Al paste used in Si solar cells. The effects of the molar ratio of Bi2O3 to B2O3 in the glass composition on the electrical resistance of the Al electrode and on the cell performance were investigated. The results showed that as the molar ratio of Bi2O3 to B2O3 increased, the glass transition temperature and softening temperature decreased because of the reduced glass viscosity. In Al screen-printed Si solar cells, as the molar ratio of Bi2O3 to B2O3 increased, the sheet electrical resistance of the Al electrode decreased and the cell efficiency increased. The uniformity and thickness of the back-surface field was significantly influenced by the glass composition.

Z-contrast imaging of ordered structures in Pb(Mg1/3Nb2/3)O3 and Ba(Mg1/3Nb2/3)O3

International Nuclear Information System (INIS)

Yan, Y.; Pennycook, S.J.; Xu, Z.; Viehland, D.

1998-02-01

Lead-based cubic perovskites such as Pb(B 1/3 2+ B 2/3 5+ )O 3 (B 2+ Mg, Co, Ni, Zn; B 5+ = Nb, Ta) are relaxor ferroelectrics. Localized order and disorder often occur in materials of this type. In the Pb(Mg 1/3 Nb 2/3 )O 3 (PMN) family, previous studies have proposed two models, space-charge and charge-balance models. In the first model, the ordered regions carry a net negative charge [Pb(Mg 1/2 Nb 1/2 )O 3 ], while in the second model it does not carry a net charge [Pb((Mg 2/3 Nb 1/3 ) 1/2 Nb 1/2 )O 3 ]. However, no direct evidence for these two models has appeared in the literature yet. In this paper the authors report the first direct observations of local ordering in undoped and La-doped Pb(Mg 1/3 Nb 2/3 )O 3 , using high-resolution Z-contrast imaging. Because the ordered structure in Ba(Mg 1/3 Nb 2/3 )O 3 is well known, the Z-contrast image from an ordered domain is used as a reference for this study

Thermoluminescence and optically stimulated luminescence properties of Dy3+-doped CaO-Al2O3-B2O3-based glasses

Science.gov (United States)

Yahaba, T.; Fujimoto, Y.; Yanagida, T.; Koshimizu, M.; Tanaka, H.; Saeki, K.; Asai, K.

2017-02-01

We developed Dy3+-doped CaO-Al2O3-B2O3 based glasses with Dy concentrations of 0.5, 1.0, and 2.0 mol% using a melt-quenching technique. The as-synthesized glasses were applicable as materials exhibiting thermoluminescence (TL) and optically stimulated luminescence (OSL). The optical and radiation response properties of the glasses were characterized. In the photoluminescence (PL) spectra, two emission bands due to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions of Dy3+ were observed at 480 and 580 nm. In the OSL spectra, the emission band due to the 4F9/2 → 6H15/2 transition of Dy3+ was observed. Excellent TL and OSL responses were observed for dose ranges of 0.1-90 Gy. In addition, TL fading behavior was better than that of OSL in term of the long-time storage. These results indicate that the Dy3+-doped CaO-Al2O3-B2O3-based glasses are applicable as TL materials.

The Study of Electrical Properties for Multilayer La2O3/Al2O3 Dielectric Stacks and LaAlO3 Dielectric Film Deposited by ALD.

Science.gov (United States)

Feng, Xing-Yao; Liu, Hong-Xia; Wang, Xing; Zhao, Lu; Fei, Chen-Xi; Liu, He-Lei

2017-12-01

The capacitance and leakage current properties of multilayer La 2 O 3 /Al 2 O 3 dielectric stacks and LaAlO 3 dielectric film are investigated in this paper. A clear promotion of capacitance properties is observed for multilayer La 2 O 3 /Al 2 O 3 stacks after post-deposition annealing (PDA) at 800 °C compared with PDA at 600 °C, which indicated the recombination of defects and dangling bonds performs better at the high-k/Si substrate interface for a higher annealing temperature. For LaAlO 3 dielectric film, compared with multilayer La 2 O 3 /Al 2 O 3 dielectric stacks, a clear promotion of trapped charges density (N ot ) and a degradation of interface trap density (D it ) can be obtained simultaneously. In addition, a significant improvement about leakage current property is observed for LaAlO 3 dielectric film compared with multilayer La 2 O 3 /Al 2 O 3 stacks at the same annealing condition. We also noticed that a better breakdown behavior for multilayer La 2 O 3 /Al 2 O 3 stack is achieved after annealing at a higher temperature for its less defects.

Multilevel Resistance Switching Memory in La2/3Ba1/3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (011) Heterostructure by Combined Straintronics-Spintronics.

Science.gov (United States)

Zhou, Weiping; Xiong, Yuanqiang; Zhang, Zhengming; Wang, Dunhui; Tan, Weishi; Cao, Qingqi; Qian, Zhenghong; Du, Youwei

2016-03-02

We demonstrate a memory device with multifield switchable multilevel states at room temperature based on the integration of straintronics and spintronics in a La2/3Ba1/3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-PT) (011) heterostructure. By precisely controlling the electric field applied on the PMN-PT substrate, multiple nonvolatile resistance states can be generated in La2/3Ba1/3MnO3 films, which can be ascribed to the strain-modulated metal-insulator transition and phase separation of Manganite. Furthermore, because of the strong coupling between spin and charge degrees of freedom, the resistance of the La2/3Ba1/3MnO3 film can be readily modulated by magnetic field over a broad temperature range. Therefore, by combining electroresistance and magnetoresistance effects, multilevel resistance states with excellent retention and endurance properties can be achieved at room temperature with the coactions of electric and magnetic fields. The incorporation of ferroelastic strain and magnetic and resistive properties in memory cells suggests a promising approach for multistate, high-density, and low-power consumption electronic memory devices.

Lead-Free KNbO3:xZnO Composite Ceramics.

Science.gov (United States)

Lv, Xiang; Li, Zhuoyun; Wu, Jiagang; Xiao, Dingquan; Zhu, Jianguo

2016-11-09

It is a tough issue to develop dense and water resistant KNbO 3 ceramics due to high evaporation and hygroscopicity of K 2 O. Here, KNbO 3 :xZnO composite ceramics were used to successfully solve this problem, where ZnO particles were randomly distributed into a KNbO 3 matrix. The addition of ZnO hardly affects the phase structure of KNbO 3 , and moreover, the enhancement of electrical properties, thermal stability, and aging characteristics was observed in KNbO 3 :xZnO composite ceramics. The composites possessed the maximum d 33 of 120 ± 5 pC/N, which is superior to that of pure KNbO 3 (d 33 = 80 pC/N). More importantly, a strong water resistance and an aging-free characteristic were observed in KNbO 3 :0.4ZnO. This is the first time for KNbO 3 ceramics to simultaneously improve electrical properties and resolve the water-absorbing properties. We believe that these composite ceramics are promising for practical applications.

Investigating the local structure of B-site cations in (1-x)BaTiO3-xBiScO3 and (1-x)PbTiO3-xBiScO3 using X-ray absorption spectroscopy

Science.gov (United States)

Blanchard, Peter E. R.; Grosvenor, Andrew P.

2018-05-01

The structural properties of (1-x)BaTiO3-xBiScO3 and (1-x)PbTiO3-xBiScO3 were investigated using powder X-ray diffraction and X-ray absorption spectroscopy. Diffraction measurements confirmed that substituting small amounts of BiScO3 into BaTiO3 initially stabilizes a cubic phase at x = 0.2 before impurity phases begin to form at x = 0.5. BiScO3 substitution also resulted in noticeable changes in the local coordination environment of Ti4+. X-ray absorption near-edge spectroscopy (XANES) analysis showed that replacing Ti4+ with Sc3+ results in an increase in the off-centre displacement of Ti4+ cations. Surprisingly, BiScO3 substitution has no effect on the displacement of the Ti4+ cation in the (1-x)PbTiO3-xBiScO3 solid solution.

Thermodynamic modeling of La2O3-SrO-Mn2O3-Cr2O3 for solid oxide fuel cell applications

DEFF Research Database (Denmark)

Povoden-Karadeniz, E.; Chen, Ming; Ivas, Toni

2012-01-01

The thermodynamic La–Sr–Mn–Cr–O oxide database is obtained as an extension of thermodynamic descriptions of oxide subsystems using the calculation of phase diagrams approach. Concepts of the thermodynamic modeling of solid oxide phases are discussed. Gibbs energy functions of SrCrO4, Sr2.67Cr2O8......, Sr2CrO4, and SrCr2O4 are presented, and thermodynamic model parameters of La–Sr–Mn–Chromite perovskite are given. Experimental solid solubilities and nonstoichiometries in La1xSrxCrO3d and LaMn1xCrxO3d are reproduced by the model. The presented oxide database can be used for applied computational...... thermodynamics of traditional lanthanum manganite cathode with Cr-impurities. It represents the fundament for extensions to higher orders, aiming on thermodynamic calculations in noble symmetric solid oxide fuel cells...

Comparative study of gamma ray shielding and some properties of PbO–SiO2–Al2O3 and Bi2O3–SiO2–Al2O3 glass systems

International Nuclear Information System (INIS)

Singh, K.J.; Kaur, Sandeep; Kaundal, R.S.

2014-01-01

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–SiO 2 –Al 2 O 3 and Bi 2 O 3 –SiO 2 –Al 2 O 3 glass systems. - Highlights: • Bi 2 O 3 –SiO 2 –Al 2 O 3 and PbO–SiO 2 –Al 2 O 3 glasses can replace conventional concretes as gamma-ray shielding materials. • Gamma-ray shielding properties improve with the addition of heavy metals. • Rigidity deteriorates with the increase in the content of heavy metals. • Bi 2 O 3 –SiO 2 –Al 2 O 3 glass system is better than PbO–SiO 2 –Al 2 O 3 glass system in terms of gamma-ray shielding as well as structural properties

Thermodynamic characterization of Ni3TeO6, Ni2Te3O8 and NiTe2O5

Science.gov (United States)

Dawar, Rimpi; Babu, R.; Ananthasivan, K.; Anthonysamy, S.

2017-09-01

Measurement of vapour pressure of TeO2(g) over the biphasic mixture Ni3TeO6 (s) + NiO(s) in the temperature range 1143-1272 K was carried out using transpiration-thermogravimetric technique (TTG). Gibbs energy of formation of Ni3TeO6 was obtained from the temperature dependence of vapour pressure of TeO2 (g) generated by the incongruent vapourisation reaction, Ni3TeO6 (s) → NiO(s) + TeO2 (g) + 1/2 O2 in the temperature range 1143-1272 K. An isoperibol type drop calorimeter was used to measure the enthalpy increments of Ni3TeO6, Ni2Te3O8 and NiTe2O5. Thermodynamic functions viz., heat capacity, entropy and Gibbs energy functions of these compounds were derived from the experimentally measured enthalpy increment values. Third-law analysis was carried out to ascertain absence of temperature dependent systematic errors in the measurement of vapour pressure of TeO2 (g). A value of -1265.1 ± 1.5 kJ mol-1 was obtained for Δ Hf,298K o (Ni3TeO6) using third-law analysis.

Electromechanical behavior of [001]-textured Pb(Mg1/3Nb2/3)O3-PbTiO3 ceramics

Science.gov (United States)

Yan, Yongke; Wang, Yu. U.; Priya, Shashank

2012-05-01

[001]-textured Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT) ceramics were synthesized by using templated grain growth method. Significantly high [001] texture degree corresponding to 0.98 Lotgering factor was achieved at 1 vol. % BaTiO3 template. Electromechanical properties for [001]-textured PMN-PT ceramics with 1 vol. % BaTiO3 were found to be d33 = 1000 pC/N, d31 = 371 pC/N, ɛr = 2591, and tanδ = ˜0.6%. Elastoelectric composite based modeling results showed that higher volume fraction of template reduces the overall dielectric constant and thus has adverse effect on the piezoelectric response. Clamping effect was modeled by deriving the changes in free energy as a function of applied electric field and microstructural boundary condition.

Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3})

Energy Technology Data Exchange (ETDEWEB)

Meng, Chang-Yu; Wei, Ming-Fang [Department of Chemistry and Materials, Yulin Normal University,Yulin, Guangxi 537000 (China); Geng, Lei, E-mail: lgeng.cn@gmail.com [Department of Materials Science and Engineering, Huaibei Normal University, Huaibei, Anhui 235000 (China); Hu, Pei-Qing; Yu, Meng-Xia [Department of Chemistry and Materials, Yulin Normal University,Yulin, Guangxi 537000 (China); Cheng, Wen-Dan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

2016-07-15

Two new bismuth(III) selenite/tellurite nitrates, [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV–vis–NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P2{sub 1}/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}] {sup 3}{sub ∞} with NO{sub 3}{sup −} anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO{sub 3})](NO{sub 3}) features 2D bismuth(III) tellurite [Bi(TeO{sub 3}){sub 2}]{sup 2}{sub ∞} layers separated by NO{sub 3}{sup −} anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors. - Graphical abstract: Two novel bismuth{sup III} selenite/tellurite nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) with 3D tunnel structure and [Bi(TeO{sub 3})](NO{sub 3}) with 2D layer structure have been firstly synthesized and characterized. Display Omitted - Highlights: • Two novel bismuth{sup III} nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}) were firstly

Effect of MgO on compositions of the system CaO-Al2O3-Fe2O3. Solubility

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Palomo, Ángel

1986-12-01

Full Text Available Five different compositions belonging to the equilibrium system CaO-Al2O3-Fe2O3 were dopep with a fixed quantity of MgO (6,5% wt. The compositions, which lie in different primary fields of crystallization and in different triangles of compatibility, were submitted to several thermal treatments. Each composition, which had previously been melted, originates in its solidification the aluminates and ferrites which are usual in the interstitial phase of clinker Portland, although they are in different microstructural arrangements. The effect of MgO on the generated microstructures has been shown. Also, the solubility of MgO on the aluminic and ferritic phases has been measured.CCinco composiciones diferentes pertenecientes al sistema de equilibrio CaO-Al2O3-Fe2O3 fueron dopadas con una cantidad fija de MgO (6,5%. Las cinco composiciones, que están situadas sobre diferentes campos primarios de cristalización y/o sobre diferentes triángulos de compatibilidad, fueron sometidas a varios tratamientos térmicos. Cada composición (previamente fundida origina en su solidificación los aluminatos y ferritos habituales en la fase intersticial del clinker portland, aunque ordenados en microestructuras diferentes. Se ha comprobado el efecto del MgO sobre las microestructuras generadas, así como su solubilidad en las fases alumínicas y ferríticas.

Spectroscopic properties and energy transfer analysis of Tm3+-doped BaF2-Ga2O3-GeO2-La2O3 glass.

Science.gov (United States)

Yu, Shenglei; Yang, Zhongmin; Xu, Shanhui

2010-05-01

This paper reports on the spectroscopic properties and energy transfer analysis of Tm(3+)-doped BaF(2)-Ga(2)O(3)-GeO(2)-La(2)O(3) glasses with different Tm(2)O(3) doping concentrations (0.2, 0.5, 2.0, 2.5, 3.0, 3.5, 3.5, 4.0 wt%). Mid-IR fluorescence intensities in the range of 1,300 nm-2,200 nm have been measured when excited under an 808 nm LD for all the samples with the same pump power. Energy level structure and Judd-Ofelt parameters have been calculated based on the absorption spectra of Tm(3+), cross-relaxation rates and multi-phonon relaxation rates have been estimated with different Tm(2)O(3) doping concentrations. The maximum fluorescence intensity at around 1.8 mum has been obtained in Tm(2)O(3)-3 wt% sample and the maximum value of calculated stimulated emission cross-section of Tm(3+) in this sample is about 0.48 x 10(-20) cm(2) at 1,793 nm, and there is not any crystallization peak in the DSC curve of this sample, which indicate the potential utility of Tm(3+)-doped BaF(2)-Ga(2)O(3)-GeO(2)- La(2)O(3) glass for 2.0-microm optical fiber laser.

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

Science.gov (United States)

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.

Nonvolatile Resistive Switching in Pt/LaAlO_{3}/SrTiO_{3} Heterostructures

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Shuxiang Wu

2013-12-01

Full Text Available Resistive switching heterojunctions, which are promising for nonvolatile memory applications, usually share a capacitorlike metal-oxide-metal configuration. Here, we report on the nonvolatile resistive switching in Pt/LaAlO_{3}/SrTiO_{3} heterostructures, where the conducting layer near the LaAlO_{3}/SrTiO_{3} interface serves as the “unconventional” bottom electrode although both oxides are band insulators. Interestingly, the switching between low-resistance and high-resistance states is accompanied by reversible transitions between tunneling and Ohmic characteristics in the current transport perpendicular to the planes of the heterojunctions. We propose that the observed resistive switching is likely caused by the electric-field-induced drift of charged oxygen vacancies across the LaAlO_{3}/SrTiO_{3} interface and the creation of defect-induced gap states within the ultrathin LaAlO_{3} layer. These metal-oxide-oxide heterojunctions with atomically smooth interfaces and defect-controlled transport provide a platform for the development of nonvolatile oxide nanoelectronics that integrate logic and memory devices.

Effect of the thin Ga2O3 layer in n+-ZnO/n-Ga2O3/p-Cu2O heterojunction solar cells

International Nuclear Information System (INIS)

Minami, Tadatsugu; Nishi, Yuki; Miyata, Toshihiro

2013-01-01

The influence of inserting a Ga 2 O 3 thin film as an n-type semiconductor layer on the obtainable photovoltaic properties in Cu 2 O-based heterojunction solar cells was investigated with a transparent conductive Al-doped ZnO (AZO) thin film/n-Ga 2 O 3 thin film/p-Cu 2 O sheet structure. It was found that this Ga 2 O 3 thin film can greatly improve the performance of Cu 2 O-based heterojunction solar cells fabricated using polycrystalline Cu 2 O sheets that had been prepared by a thermal oxidization of copper sheets. The obtained photovoltaic properties in the AZO/Ga 2 O 3 /Cu 2 O heterojunction solar cells were strongly dependent on the deposition conditions of the Ga 2 O 3 films. The external quantum efficiency obtained in AZO/Ga 2 O 3 /Cu 2 O heterojunction solar cells was found to be greater at wavelengths below approximately 500 nm than that obtained in AZO/Cu 2 O heterojunction solar cells (i.e., prepared without a Ga 2 O 3 layer) at equivalent wavelengths. This improvement of photovoltaic properties is mainly attributed to a decrease in the level of defects at the interface between the Ga 2 O 3 thin film and the Cu 2 O sheet. Conversion efficiencies over 5% were obtained in AZO/Ga 2 O 3 /Cu 2 O heterojunction solar cells fabricated using an n-Ga 2 O 3 thin-film layer prepared with a thickness of 40–80 nm at an O 2 gas pressure of approximately 1.7 Pa by a pulsed laser deposition. - Highlights: • We demonstrate high-efficiency Cu 2 O-based p-n heterojunction solar cells. • A non-doped Ga 2 O 3 thin film was used as an n-type semiconductor layer. • The Ga 2 O 3 thin film was prepared at a low temperature by a low damage deposition. • p-type Cu 2 O sheets prepared by thermal oxidization of copper sheets were used. • Conversion efficiencies over 5% were obtained in AZO/n-Ga 2 O 3 /p-Cu 2 O solar cells

Chemical quenching of positronium in Fe2O3/Al2O3 catalysts

International Nuclear Information System (INIS)

Li, C.; Zhang, H.J.; Chen, Z.Q.

2010-01-01

Fe 2 O 3 /Al 2 O 3 catalysts were prepared by solid state reaction method using α-Fe 2 O 3 and γ-Al 2 O 3 nano powders. The microstructure and surface properties of the catalyst were studied using positron lifetime and coincidence Doppler broadening annihilation radiation measurements. The positron lifetime spectrum shows four components. The two long lifetimes τ 3 and τ 4 are attributed to positronium annihilation in two types of pores distributed inside Al 2 O 3 grain and between the grains, respectively. With increasing Fe 2 O 3 content from 3 wt% to 40 wt%, the lifetime τ 3 keeps nearly unchanged, while the longest lifetime τ 4 shows decrease from 96 ns to 64 ns. Its intensity decreases drastically from 24% to less than 8%. The Doppler broadening S parameter shows also a continuous decrease. Further analysis of the Doppler broadening spectra reveals a decrease in the p-Ps intensity with increasing Fe 2 O 3 content, which rules out the possibility of spin-conversion of positronium. Therefore the decrease of τ 4 is most probably due to the chemical quenching reaction of positronium with Fe ions on the surface of the large pores.

Chemical quenching of positronium in Fe 2O 3/Al 2O 3 catalysts

Science.gov (United States)

Li, C.; Zhang, H. J.; Chen, Z. Q.

2010-09-01

Fe 2O 3/Al 2O 3 catalysts were prepared by solid state reaction method using α-Fe 2O 3 and γ-Al 2O 3 nano powders. The microstructure and surface properties of the catalyst were studied using positron lifetime and coincidence Doppler broadening annihilation radiation measurements. The positron lifetime spectrum shows four components. The two long lifetimes τ3 and τ4 are attributed to positronium annihilation in two types of pores distributed inside Al 2O 3 grain and between the grains, respectively. With increasing Fe 2O 3 content from 3 wt% to 40 wt%, the lifetime τ3 keeps nearly unchanged, while the longest lifetime τ4 shows decrease from 96 ns to 64 ns. Its intensity decreases drastically from 24% to less than 8%. The Doppler broadening S parameter shows also a continuous decrease. Further analysis of the Doppler broadening spectra reveals a decrease in the p-Ps intensity with increasing Fe 2O 3 content, which rules out the possibility of spin-conversion of positronium. Therefore the decrease of τ4 is most probably due to the chemical quenching reaction of positronium with Fe ions on the surface of the large pores.

A unique polysaccharide containing 3-O-methylarabinose and 3-O-methylgalactose from Tinospora sinensis.

Science.gov (United States)

Nagar, Shipra; Hensel, Andreas; Mischnick, Petra; Kumar, Vineet

2018-08-01

Tinospora sinensis (Lour.) Merrill is of great therapeutic significance in Indian traditional medicine. Crude polysaccharides were isolated from methanol pre-extracted stems of dried material by successive extractions with cold water, hot water and NaOH (0.25 mol/L) in 0.98, 0.55 and 0.70 % yields respectively. Cold water soluble polysaccharides (CWSP) were purified and fractionated by ion exchange chromatography on DEAE-Sephacel. Neutral polysaccharides were further fractionated on Sepharose CL6B to yield three fractions TW1, TW2, TW3. The study further focuses on structural elucidation of TW1. TW1 was obtained in 0.8 % yield relative to CWSP, with MW of 1.6 × 10 5  Da. It was composed of 3-O-methyl-arabinose, 3-O-methyl-galactose and galactose in molar ratio of 1.0:6.3:0.9 respectively. Based on per-deuteromethylation, NMR and ESI-MS analyses, TW1 was composed of 1,4-linked 3-O-methyl-β-d-galactopyranose and β-d-galactopyranose backbone with branching at O-6 of 3-O-methyl-β-d-galactosyl residues by 1,5-linked 3-O-methyl-α-l-arabinofuranoside chains. 3-O-methyl-arabinose and 3-O-methyl-galactose have first ever been reported in any polysaccharide and Tinospora genus, respectively. Copyright © 2018 Elsevier Ltd. All rights reserved.

Electronic characterization of LaAlO{sub 3}-SrTiO{sub 3} interfaces by scanning tunneling spectroscopy; Elektronische Charakterisierung von LaAlO{sub 3}-SrTiO{sub 3}-Grenzflaechen mittels Rastertunnelspektroskopie

Energy Technology Data Exchange (ETDEWEB)

Breitschaft, Martin

2010-10-22

When LaAlO{sub 3} is epitaxially grown on TiO{sub 2}-terminated SrTiO{sub 3}, an electrically conducting interface is generated. In this respect, the physical properties of the interface differ substantially from those of both LaAlO{sub 3} and SrTiO{sub 3}, which are electrically insulating in bulk form. This dissertation looks into the question of the microscopic structure of the conducting two-dimensional interface electron system. Comparing the electronic density of states of LaAlO{sub 3}-SrTiO{sub 3} interfaces measured by scanning tunneling spectroscopy with results of density functional theory, the interface electron system is found to be substantially coined by the hosting transition metal lattices. The comparison yields a detailed picture of the microscopic structure of the interface electron system. (orig.)

New Developments in the SCIAMACHY Level 2 Ground Processor Towards Version 7

Science.gov (United States)

Meringer, Markus; Noël, Stefan; Lichtenberg, Günter; Lerot, Christophe; Theys, Nicolas; Fehr, Thorsten; Dehn, Angelika; Liebing, Patricia; Gretschany, Sergei

2016-07-01

SCIAMACHY (SCanning Imaging Absorption spectroMeter for Atmospheric ChartographY) aboard ESA's environmental satellite ENVISAT observed the Earth's atmosphere in limb, nadir, and solar/lunar occultation geometries covering the UV-Visible to NIR spectral range. It is a joint project of Germany, the Netherlands and Belgium and was launched in February 2002. SCIAMACHY doubled its originally planned in-orbit lifetime of five years before the communication to ENVISAT was severed in April 2012, and the mission entered its post-operational phase. In order to preserve the best quality of the outstanding data recorded by SCIAMACHY, data processors are still being updated. This presentation will highlight three new developments that are currently being incorporated into the forthcoming version 7 of ESA's operational level 2 processor: 1. Tropospheric BrO, a new retrieval based on the scientific algorithm of (Theys et al., 2011). This algorithm had originally been developed for the GOME-2 sensor and was later adapted for SCIAMACHY. The main principle of the new algorithm is to split BrO total columns, which are already an operational product, into stratospheric VCD_{strat} and tropospheric VCD_{trop} fractions. BrO VCD_{strat} is determined from a climatological approach, driven by SCIAMACHY O_3 and NO_2 observations. Tropospheric vertical column densities are then determined as difference VCD_{trop}=VCD_{total}-VCD_{strat}. 2. Improved cloud flagging using limb measurements (Liebing, 2015). Limb cloud flags are already part of the SCIAMACHY L2 product. They are currently calculated employing the scientific algorithm developed by (Eichmann et al., 2015). Clouds are categorized into four types: water, ice, polar stratospheric and noctilucent clouds. High atmospheric aerosol loadings, however, often lead to spurious cloud flags, when aerosols had been misidentified as clouds. The new algorithm will better discriminate between aerosol and clouds. It will also have a higher

Quenching of I(2P1/2) by O3 and O(3P).

Science.gov (United States)

Azyazov, Valeriy N; Antonov, Ivan O; Heaven, Michael C

2007-04-26

Oxygen-iodine lasers that utilize electrical or microwave discharges to produce singlet oxygen are currently being developed. The discharge generators differ from conventional chemical singlet oxygen generators in that they produce significant amounts of atomic oxygen. Post-discharge chemistry includes channels that lead to the formation of ozone. Consequently, removal of I(2P1/2) by O atoms and O3 may impact the efficiency of discharge driven iodine lasers. In the present study, we have measured the rate constants for quenching of I(2P1/2) by O(3P) atoms and O3 using pulsed laser photolysis techniques. The rate constant for quenching by O3, (1.8 +/- 0.4) x 10(-12) cm3 s-1, was found to be a factor of 5 smaller than the literature value. The rate constant for quenching by O(3P) was (1.2 +/- 0.2) x 10(-11) cm3 s-1.

Divergent long-term consequences of chronic treatment with haloperidol, risperidone, and bromocriptine on traumatic brain injury-induced cognitive deficits.

Science.gov (United States)

Phelps, Thomas I; Bondi, Corina O; Ahmed, Rashid H; Olugbade, Yewande T; Kline, Anthony E

2015-04-15

Antipsychotic drugs (APDs) are provided in the clinic to manage traumatic brain injury (TBI)-induced agitation and aggression. Experimental TBI studies consistently show that daily administration of the APDs, haloperidol (HAL) and risperidone (RISP), hinder recovery. However, it is unknown how long the adverse effects remain after cessation of treatment. To elucidate this clinically relevant issue, anesthetized male rats were randomly assigned to four TBI (controlled cortical impact) and four sham groups administered HAL (0.5 mg/kg), RISP (0.45 mg/kg), bromocriptine (BRO; 5.0 mg/kg, included as a control for D2 receptor action), or vehicle (VEH; 1 mL/kg) 24 h after surgery and once-daily for 19 days. Motor and cognitive recovery was assessed on days 1-5 and 14-19, respectively, and again at 1 and 3 months after drug withdrawal. No overall group differences were observed for motor function among the TBI groups, although the HAL group showed a greater beam-walk deficit on day 5 versus the VEH and BRO groups. Cognitive recovery was significantly impaired in the HAL and RISP groups during the treatment phase versus VEH and BRO. Further, BRO was superior to VEH (p=0.0042). At 1 month, both groups that received APDs continued to exhibit significant cognitive impairment versus VEH and BRO; at 3 months, only the HAL group was impaired. Moreover, the HAL, RISP, and VEH groups continued to be cognitively deficient versus BRO, which also reduced cortical damage. These data replicate previous reports that HAL and RISP impede cognitive recovery after TBI and expand the literature by revealing that the deleterious effects persist for 3 months after drug discontinuation. BRO conferred cognitive benefits when administered concomitantly with behavioral testing, thus replicating previous findings, and also after cessation demonstrating enduring efficacy.

Effect of RE (Nd3+, Sm3+) oxide on structural, optical properties of Na2O-Li2O-ZnO-B2O3 glass system

Science.gov (United States)

Hivrekar, Mahesh M.; Bhoyar, D. N.; Mande, V. K.; Dhole, V. V.; Solunke, M. B.; Jadhav, K. M.

2018-05-01

Zinc borate glass activated with rare earth oxide (Nd2O3, Sm2O3) of Na2O-Li2O-ZnO-B2O3 quaternary system has been prepared successfully by melt quenching method. The nucleation and growth of RE oxide were controlled temperature range 950-1000° C and rapid cooling at room temperature. The physical, structural and optical properties were characterized by using X-ray diffraction (XRD), SEM, Ultraviolet-visible spectroscopy (UV-Vis). XRD and SEM studies confirmed the amorphous nature, surface morphology of prepared zinc borate glass. The physical parameters like density, molar volume, molar mass of Nd3+, Sm3+ doped borate glass are summarized in the present article. The optical absorption spectra along with tauc's plot are presented. The optical energy band gap increases due to the addition of rare earth oxide confirming the role of network modifier.

Estudio de la región rica en Bi2O3 en el sistema binario ZnO-Bi2O3

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Caballero, A. C.

2004-08-01

Full Text Available Ceramic materials based in the ZnO- Bi2O3 system have their principal application as varistors. The binary system ZnO-Bi2O3 is specially relevant to the formation of the microstructure responsable of the varistor behaviour. The study of the different equilibrium phases at high temperatures at the Bi2O3-rich region of the ZnO-Bi2O3 will allow a correct understanding of the microstructural development. Equilibrium phases have been analyzed by XRD, SEM and DTA. Different temperature treatments of samples formulated in the Bi2O3 rich region of the ZnO-Bi2O3 binary system have allowed to determine the phase 19Bi2O3•ZnO as the equilibrium one instead of the 24Bi2O3•ZnO phase.Los materiales cerámicos basados en el sistema binario ZnO-Bi2O3 tienen su principal aplicación en el campo de los varistores. El sistema binario ZnO-Bi2O3 resulta especialmente relevante para la formación de la microestructura funcional de varistores. La determinación de las diferentes fases en equilibrio a alta temperatura en la región rica en Bi2O3 en el sistema binario ZnO-Bi2O3 permitirá interpretar correctamente el desarrollo microestructural. El estudio de las fases en equilibrio se ha llevado a cabo mediante difracción de rayos X, microscopía electrónica de barrido (MEB y análisis térmico diferencial (ATD. Tratamientos a diferentes temperaturas, en la zona rica en Bi2O3 del sistema, han permitido determinar la presencia del compuesto 19Bi2O3•ZnO como fase estable en equilibrio, en lugar del compuesto 24Bi2O3•ZnO.

Electrodeposited Mn3O4-NiO-Co3O4 as a composite electrode material for electrochemical capacitor

International Nuclear Information System (INIS)

Rusi; Majid, S.R.

2015-01-01

Highlights: • Composite electrodes were synthesized by in situ electrodeposition method. • The highest specific capacitance of composite electrode is 7404 F g −1 . • The power density of composite electrode is 99 kW kg −1 at current density of 20 A g −1 . • The addition of K 3 Fe(CN) 6 in KOH electrolyte has improved the electrochemical performance. - Abstract: A simple and easy galvanostatic electrodeposition method is used to synthesise a composite electrode consisting of manganese oxide (Mn 3 O 4 ), nickel oxide (NiO) and cobalt oxide (Co 3 O 4 ). The influence of Co 3 O 4 on the morphology of fixed Mn 3 O 4 -NiO particles is investigated with a field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). The nature and elemental of the composite are examined by means of X-ray diffraction (XRD) and energy dispersive X-ray spectroscopy (EDX). The electrochemical performances of an Mn 3 O 4 -NiO-Co 3 O 4 nanostructure/SS composite electrode are studied by cyclic voltammetry (CV) and galvanostatic charge-discharge (CD) in various electrolytes, i.e. 0.5 M Na 2 SO 4 , 0.5 M KOH, 0.5 M Na 2 SO 4 /0.04 M K 3 Fe(CN) 6 and 0.5 M KOH/0.04 M K 3 Fe(CN) 6 electrolytes. The composite electrode prepared from 0.15 M Co deposition solution exhibits the optimum specific capacitance of 7404 F g −1 with high energy and power density of 1028 Wh kg −1 and 99 kW kg −1 at 20 A g −1 in mix KOH/0.04 M K 3 Fe(CN) 6 electrolyte, respectively. The results show that the incorporation of K 3 Fe(CN) 6 in KOH electrolyte influences the capacitance of Mn 3 O 4 -NiO-Co 3 O 4 composite electrodes

Crystal structure and magnetic properties of the Ba3TeCo3P2O14, Pb3TeCo3P2O14, and Pb3TeCo3V2O14 langasites

DEFF Research Database (Denmark)

Krizan, J.W.; de la Cruz, C.; Andersen, Niels Hessel

2013-01-01

We report the structural and magnetic characterizations of Ba3TeCo3P2O14, Pb3TeCo3P2O14, and Pb3TeCo3V2O14, compounds that are based on the mineral dugganite, which is isostructural to langasites. The magnetic part of the structure consists of layers of Co2+ triangles. Nuclear and magnetic...... structures were determined through a co-refinement of synchrotron and neutron powder diffraction data. In contrast to the undistorted P321 langasite structure of Ba3TeCo3P2O14, a complex structural distortion yielding a large supercell is found for both Pb3TeCo3P2O14 and Pb3TeCo3V2O14. Comparison...... of the three compounds studied along with the zinc analog Pb3TeZn3P2O14, also characterized here, suggests that the distortion is driven by Pb2+ lone pairs; as such, the Pb compounds crystallize in a pyroelectric space group, P2. Magnetic susceptibility, magnetization, and heat capacity measurements were...

Optical properties of the Al2O3/SiO2 and Al2O3/HfO2/SiO2 antireflective coatings

Science.gov (United States)

Marszałek, Konstanty; Winkowski, Paweł; Jaglarz, Janusz

2014-01-01

Investigations of bilayer and trilayer Al2O3/SiO2 and Al2O3/HfO2/SiO2 antireflective coatings are presented in this paper. The oxide films were deposited on a heated quartz glass by e-gun evaporation in a vacuum of 5 × 10-3 [Pa] in the presence of oxygen. Depositions were performed at three different temperatures of the substrates: 100 °C, 200 °C and 300 °C. The coatings were deposited onto optical quartz glass (Corning HPFS). The thickness and deposition rate were controlled with Inficon XTC/2 thickness measuring system. Deposition rate was equal to 0.6 nm/s for Al2O3, 0.6 nm - 0.8 nm/s for HfO2 and 0.6 nm/s for SiO2. Simulations leading to optimization of the thin film thickness and the experimental results of optical measurements, which were carried out during and after the deposition process, have been presented. The optical thickness values, obtained from the measurements performed during the deposition process were as follows: 78 nm/78 nm for Al2O3/SiO2 and 78 nm/156 nm/78 nm for Al2O3/HfO2/SiO2. The results were then checked by ellipsometric technique. Reflectance of the films depended on the substrate temperature during the deposition process. Starting from 240 nm to the beginning of visible region, the average reflectance of the trilayer system was below 1 % and for the bilayer, minima of the reflectance were equal to 1.6 %, 1.15 % and 0.8 % for deposition temperatures of 100 °C, 200 °C and 300 °C, respectively.

Is cloud seeding in coastal Antarctica linked to bromine and nitrate variability in snow?

Energy Technology Data Exchange (ETDEWEB)

Antony, Runa; Thamban, Meloth; Krishnan, K P; Mahalinganathan, K, E-mail: runa@ncaor.or [National Centre for Antarctic and Ocean Research, Headland Sada, Vasco-da-Gama, Goa-403 804 (India)

2010-01-15

Considering the significance of methanesulfonate (MSA) in the sulfur cycle and global climate, we analyzed MSA and other ionic species in snow from the coastal Larsemann Hills, East Antarctica. MSA concentrations recorded were high (0.58 +- 0.7 {mu}M) with ice-cap regions showing significantly higher concentrations (df = 10, p < 0.001) than ice-free regions. High nutrient concentration in ice-cap snow appears to have favored algal growth (7.6 x 10{sup 2} cells l{sup -1}) with subsequent production of brominated compounds. The consequent elevated Br{sup -} (3.2 +- 2.2 {mu}M) in the ice-cap region could result in the release of Br atoms through photoactivated reactions on aerosols and the snow surface. Activated Br atoms in the atmosphere could react with ozone leading to BrO enhancement with subsequent dimethylsulfide (DMS) oxidation and production of sulfur aerosols. Since BrO based DMS oxidation is much faster than the OH/NO{sub 3} pathway, elevated Br{sup -} in ice-cap snow could contribute more than ice-free sites towards formation of cloud condensation nuclei at the expense of ozone.

Multiple linear regression model for bromate formation based on the survey data of source waters from geographically different regions across China.

Science.gov (United States)

Yu, Jianwei; Liu, Juan; An, Wei; Wang, Yongjing; Zhang, Junzhi; Wei, Wei; Su, Ming; Yang, Min

2015-01-01

A total of 86 source water samples from 38 cities across major watersheds of China were collected for a bromide (Br(-)) survey, and the bromate (BrO3 (-)) formation potentials (BFPs) of 41 samples with Br(-) concentration >20 μg L(-1) were evaluated using a batch ozonation reactor. Statistical analyses indicated that higher alkalinity, hardness, and pH of water samples could lead to higher BFPs, with alkalinity as the most important factor. Based on the survey data, a multiple linear regression (MLR) model including three parameters (alkalinity, ozone dose, and total organic carbon (TOC)) was established with a relatively good prediction performance (model selection criterion = 2.01, R (2) = 0.724), using logarithmic transformation of the variables. Furthermore, a contour plot was used to interpret the influence of alkalinity and TOC on BrO3 (-) formation with prediction accuracy as high as 71 %, suggesting that these two parameters, apart from ozone dosage, were the most important ones affecting the BFPs of source waters with Br(-) concentration >20 μg L(-1). The model could be a useful tool for the prediction of the BFPs of source water.

Investigations of the physical and chemical properties of solid solutions Pb/Mnsub(1/2), Nbsub(1/2)/O3 - PbTiO3 - PbZrO3

International Nuclear Information System (INIS)

Szadkowska, A.; Majewska-Pilchowska, K.

1981-01-01

The preparation of the PMTZ materials on the basis of solid solutions Pb/Mnsub(1/2)/O 3 - PbTiO 3 - PbZrO 3 has been described. The X-ray analysis of the examined materials has been made, and porosity and grain size have been determined. Dielectric constant and mechanical quality factor as a function of PbZrO 3 content have been determined. The obtained results indicate that solid solutions Pb/Mnsub(1/2), Nbsub(1/2)/O 3 - PbTiO 3 - PbZrO 3 are useful piezoelectric materials. (author)

Thermal characteristics, Raman spectra, optical and structural properties of TiO2-Bi2O3-B2O3-TeO2 glasses

Science.gov (United States)

Gupta, Nupur; Khanna, Atul; Gonzàlez, Fernando; Iordanova, Reni

2017-05-01

Tellurite and borotellurite glasses containing Bi2O3 and TiO2 were prepared and structure-property correlations were carried out by density measurements, X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Raman and UV-visible spectroscopy. Titanium tellurite glasses require high melt-cooling rates and were fabricated by splat quenching. On adding B2O3, the glass forming ability (GFA) enhances, and glasses could be synthesized at lower quenching rates. The density of glasses shows a direct correlation with molecular mass of the constituents. UV-visible studies were used to determine the optical band gap and refractive index. Raman studies found that the co-ordination number of tellurium ions with oxygen (NTe-O) decreases with the increase in B2O3 as well as Bi2O3 content while, TiO2 produce only a small decrease in NTe-O, which explains the lower GFA of titanium tellurite glasses that do not contain Bi2O3 and B2O3. DSC studies show that the glass transition temperature (Tg) increases with B2O3 and TiO2 concentrations and that Tg correlates well with bond enthalpy of the metal oxides.

Pulsed laser deposition of epitaxial Sr(RuxSn1-x)O3 thin film electrodes and KNbO3/Sr(RuxSn1-x)O3 bilayers

International Nuclear Information System (INIS)

Christen, H.M.; Boatner, L.A.; English, L.Q.; Geea, L.A.; Marrero, P.J.; Norton, D.P.

1995-01-01

Sr(Ru x Sn 1-x ) 3 is proposed as a new conducting oxide for use in epitaxial multilayer structures. The Sr(Ru o 48 Sn 0.52 )0 3 composition exhibits an excellent lattice match with (100)-oriented KTaO 3 , and films of this composition grown by pulsed laser deposition on KTaO 3 , SrTiO 3 , and LaAlO 3 substrates have been analyzed by X-ray diffraction, Rutherford backscattering/ion channeling, and resistivity measurements. Epitaxial KNbO 3 /Sr(Ru 0.48 Sn 0.52 )O 3 bilayers have been successfully grown

Thermodynamics of Bi2O3-SiO2 system

Directory of Open Access Journals (Sweden)

Onderka B.

2017-01-01

Full Text Available Thermodynamic properties of the liquid Bi2O3-SiO2 solutions were determined from the results of the electrochemical measurements by use of the solid oxide galvanic cells with YSZ (Yttria-Stabilized-Zirconia electrolyte. Activities of Bi2O3 in the solutions were determined for 0.2, 0.3, 0.4, and 0.5 SiO2 mole fractions in the temperature range 1073-1293 K from measured electromotive force (e.m.f of the solid electrolyte galvanic cell: Bi, Bi2O3-SiO2 | YSZ | air (pO2 = 0.213 bar Additionally, heat capacity data obtained for two solid phases 6Bi2O3•SiO2 and 2Bi2O3•3SiO2 were included into optimization of thermodynamic properties of the system. Optimization procedure was supported by differential thermal analysis (DTA data obtained in this work as well as those accepted from the literature. Using the data obtained in this work, and the information about phase equilibria found in the literature, binary system Bi2O3-SiO2 was assessed with the ThermoCalc software.

Phase relations in the ZrO2-Nd2O3-Y2O3 system. Experimental study and CALPHAD assessment

International Nuclear Information System (INIS)

Fabrichnaya, Olga; Savinykh, Galina; Schreiber, Gerhard; Seifert, Hans J.

2010-01-01

The thermodynamic parameters of the Nd 2 O 3 Y 2 O 3 system were re-assessed for better reproduction of experimental data. The thermodynamic parameters were combined from binary descriptions to calculate phase diagrams for the ternary system ZrO 2 -Nd 2 O 3 Y 2 O 3 . The calculated phase diagrams were used to select compositions for the experimental studies at 1250, 1400 and 1600 C. The samples were synthesised by co-precipitation and heat treated at 1250-1600 C, investigated by X-ray diffraction and scanning electron microscopy combined with energy dispersive X-ray spectroscopy. It was found that solubility of the Y 2 O 3 in the pyrochlore phase exceeds 10 mol.%. The experimental data obtained for phase equilibria were used to derive thermodynamic parameters for fluorite, Y 2 O 3 cubic phase C, monoclinic B and Nd 2 O 3 hexagonal A phases by CALPHAD method. The isothermal sections and liquidus surface were calculated for the ZrO 2 -Nd 2 O 3 Y 2 O 3 system. (orig.)

Magnetic behavior of La2/3Ca1/3MnO3 / BaTiO3 bilayers

Science.gov (United States)

Ordonez, John E.; Gomez, Maria E.; Lopera, Wilson; Marin, Lorena; Pardo, Jose A.; Morellon, Luis; Algarabel, Pedro; Prieto, Pedro

2013-03-01

We have grown ferroelectric BaTiO3(BTO) and ferromagnetic La2/3Ca1/3MnO3 (LCMO) onto (001) SrTiO3 and Nb:SrTiO3 by pulsed laser deposition (PLD) at pure oxygen atmosphere, and a substrate temperature of 820° C, seeking for a multiferroic behavior in this structure. From x-ray diffraction (XRD) we found lattice parameter aBTO=4.068 Å, and aLCMO=3.804 Å, for each individual layer. In the BTO/LCMO bilayer, (002)-Bragg peak for BTO maintain its position whereas (002) LCMO peak shift to lower Bragg angle indicating a strained LCMO film. Magnetization measurements reveal an increase in the Curie temperature from 170 K to 220 K for the bilayer when LCMO (t = 47 nm) is deposited on BTO (t=52 nm) film, while depositing the BTO (50 nm) above LCMO (48 nm) the Curie temperature remains at values close to that obtained for a LCMO single layer (~175 K), deposited under identical growth parameters This work has been supported by Instituto de Nanociencias de Aragón, Zaragoza, Spain, ``El Patrimonio Autónomo Fondo Nacional de Financiamiento para CT&I FJC'' COLCIENCIAS-CENM Contract RC 275-2011 and Research Project COLCIENCIAS-UNIVALLE.

Effects of PbO-B2O3 Glass Doping on the Sintering Temperature and Piezoelectric Properties of 0.35Pb (Ni1/3Nb2/3)O3-0.65Pb(Zr0.41Ti0.59)O3 Ceramics

Science.gov (United States)

Yi, Jinqiao; Shen, Meng; Liu, Sisi; Jiang, Shenglin

2015-12-01

0.35Pb(Ni1/3Nb2/3)O3-0.65Pb(Zr0.41Ti0.59)O3 (PNN-PZT) ceramics doped with 0.5PbO-0.5B2O3 glass have been synthesized by the conventional solid-state sintering technique. The effects of 0.5PbO-0.5B2O3 glass on the sintering temperature and piezoelectric properties of PNN-PZT ceramics were studied. The results indicated that the sintering temperature of PNN-PZT was significantly reduced due to the incorporation of 0.5PbO-0.5B2O3 glass dopant. When the content of 0.5PbO-0.5B2O3 glass was 0.5 wt.%, the sintering temperature of PNN-PZT was observed to reduce from above 1200°C to 920°C while the samples maintained high density (7.91 g/cm3), excellent piezoelectric constant ( d 33 = 479 pC/N), large electromechanical coupling coefficient ( K p = 0.55), and relatively low electromechanical quality factor ( Q m = 79). Moreover, large dielectric constant ( ɛ 33 T / ɛ 0 = 2904) and low dielectric loss (tan δ = 0.0166) were obtained in this work.

Optical spectroscopy of Sm(3+) doped Na2O-ZnO-La2O3-TeO2 glasses.

Science.gov (United States)

Sobczyk, Marcin

2015-10-05

Telluride glasses with the composition xSm2O3-(7-x)La2O3-3Na2O-25ZnO-65TeO2 (where x=0.1, 1, 2, 5 and 7 mol%) were obtained by the melt quenching technique. Electronic absorption and fluorescence spectra as well as fluorescence dynamics of the Sm(3+)-doped title glasses are presented and analysed in detail. A Judd-Ofelt intensity analysis of the absorption spectrum at 300 K has been applied for determination of Ωλ parameters (Ω2=3.10, Ω4=3.80, Ω6=1.61×10(-20) cm(2)) which in turn have been used for calculations of the radiative transition probabilities (AT), the natural (radiative) lifetimes (τR) of the (4)G5/2 level of Sm(3+), the fluorescence branching ratios (β) and the emission cross-sections (σem). The τR value of the (4)G5/2 level amount to 1546 μs and is slightly higher than the measured decay time of 1306 μs. With the increasing of Sm2O3 concentration from 0.1 to 7.0 mol% the experimental lifetime of the fluorescent level decreases from 1306 to 41 μs. An analysis of the non-radiative decay was based on the cross-relaxation mechanisms. The optical achieved results indicate that the investigated glasses are potentially applicable as an orange and/or red laser host. Copyright © 2015 Elsevier B.V. All rights reserved.

Luminescence, scintillation, and energy transfer in SiO{sub 2}-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3}-Gd{sub 2}O{sub 3}:Ce{sup 3+},Pr{sup 3+} glasses

Energy Technology Data Exchange (ETDEWEB)

Lertloypanyachai, Prapon; Chewpraditkul, Weerapong; Pattanaboonmee, Nakarin [Department of Physics, King Mongkut' s University of Technology Thonburi, Bangkok (Thailand); Chen, Danping [Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai (China); Babin, Vladimir; Beitlerova, Alena; Nikl, Martin [Institute of Physics, AS CR, Prague (Czech Republic)

2017-09-15

Ce{sup 3+},Pr{sup 3+}-codoped SiO{sub 2}-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3}-Gd{sub 2}O{sub 3} glasses (SABG:Ce,Pr) were prepared by melt quenching under a CO reducing atmosphere. Luminescence properties were investigated under UV and X-ray excitations. A dominant emission band at 430 nm belonging to the Ce{sup 3+}:5d{sub 1} → 4f transition was observed in the photo- and radio-luminescence spectra. The energy transfer occurs from this Ce{sup 3+} band toward the {sup 3}P{sub J} levels of Pr{sup 3+} with an efficiency of up to 24%, followed by the reduction of integrated luminescence intensity with an increasing Pr{sup 3+} concentration. This result is attributed to the increase in the reabsorption of Ce{sup 3+} luminescence and the non-radiative energy transfer toward the {sup 3}P{sub J} levels of Pr{sup 3+}. The cross-relaxation process within the Pr{sup 3+} pairs can further diminish the total luminescence yield at high Pr{sup 3+} concentrations. The integral scintillation efficiency and light yield measurements were carried out and compared to the reference Bi{sub 4}Ge{sub 3}O{sub 12} (BGO) crystal. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synthesis and crystal structure of new uranyl selenite(IV)-selenate(VI) [C5H14N][(UO2)3(SeO4)4(HSeO3)(H2O)](H2SeO3)(HSeO4)

International Nuclear Information System (INIS)

Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.; Kalenberg, V.

2006-01-01

Crystals of new uranyl selenite(IV)-selenate(VI) [C 5 H 14 N][(UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)](H 2 SeO 3 )(HSeO 4 ) are obtained by the method of evaporation from aqueous solutions. Compound has triclinic lattice, space group P1-bar, a=11.7068(9), b=14.8165(12), c=16.9766(15), α=73.899(6), β=76.221(7), γ=89.361(6) Deg, V=2743.0(4) A 3 , Z=2. Laminated complexes (UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)] 3- are the basis of the structure. [HSe(VI)O 4 ] - , [H 2 Se(IV)O 3 ] complexes and protonated methylbutylamine cations are disposed between layers [ru

Investigation of thermal stability and spectroscopic properties in Er3+/Yb3+-codoped TeO2-Li2O-B2O3-GeO2 glasses.

Science.gov (United States)

Nie, Qiu-Hua; Gao, Yuan; Xu, Tie-Feng; Shen, Xiang

2005-06-01

The new Er3+/Yb3+ co-doped 70TeO2-5Li2O-(25-x)B2O3-xGeO2 (x = 0, 5, 10, 15 fand 20 mol.%) glasses were prepared. The thermal stability, absorption spectra, emission spectra and lifetime of the 4I(13/2) level of Er3+ ions were measured and studied. The FT-IR spectra were carried out in order to investigate the structure of local arrangements in glasses. It is found that the thermal stability, absorption cross-section of Yb3+, emission intensity and lifetime of the 4I(13/2) level of Er3+ increase with increasing GeO2 content in the glass composition, while the fluorescence width at half maximum (FWHM) at 1.5 um of Er3+ is about 70 nm. The obtained data suggest that this system glass can be used as a candidate host material for potential broadband optical amplifiers.

Preparation of Er3+:Y3Al5O12/WO3-KNbO3 composite and application in treatment of methamphetamine under ultrasonic irradiation.

Science.gov (United States)

Zhang, Hongbo; Huang, Yingying; Li, Guanshu; Wang, Guowei; Fang, Dawei; Song, Youtao; Wang, Jun

2017-03-01

Er 3+ :Y 3 Al 5 O 12 /WO 3 -KNbO 3 composite powder as an effective sonocatalyst was prepared via collosol-gelling-hydrothermal and high-temperature calcination methods. The textures of materials were observed by X-ray diffractometer (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). In order to estimate the sonocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /WO 3 -KNbO 3 composite powder, the sonocatalytic degradation of methamphetamine (MAPA) was performed. Furthermore, the influences of mass ratio of WO 3 and KNbO 3 , ultrasonic irradiation time, catalyst addition amount, initial methamphetamine (MAPA) concentration and used times on the sonocatalytic degradation of methamphetamine (MAPA) caused by Er 3+ :Y 3 Al 5 O 12 /WO 3 -KNbO 3 composite powder were investigated by using gas chromatography. Under optimal conditions of 1.00g/L Er 3+ :Y 3 Al 5 O 12 /WO 3 -KNbO 3 addition amount and 10.00mg/L methamphetamine (MAPA) initial concentration, 68% of methamphetamine (MAPA) could be removed after 150min ultrasonic irradiation. The experimental results showed that the Er 3+ :Y 3 Al 5 O 12 /WO 3 -KNbO 3 as sonocatalyst displayed an excellent sonocatalytic activity in degradation of methamphetamine (MAPA) under ultrasonic irradiation. Copyright © 2016 Elsevier B.V. All rights reserved.

Growth mechanism of NaClO 3 and NaBrO 3 crystals from aqueous ...

Indian Academy of Sciences (India)

A study of growth rates of NaClO3 and NaBrO3 has been carried out using a small growth cell by in situ observation. Normal growth rates of {100} faces of NaClO3 and {111} faces of NaBrO3 along ⟨ 110 ⟩ direction are measured under relatively high supersaturation ranging from 3–8%. In the initial stages of growth, {100}, ...

Crystal structure of bis(μ-3-nitrobenzoato-κ3O,O′:O;κ3O:O,O′-bis[bis(3-cyanopyridine-κN1(3-nitrobenzoato-κ2O,O′cadmium

Directory of Open Access Journals (Sweden)

Tuncer Hökelek

2017-03-01

Full Text Available The asymmetric unit of the title compound, [Cd2(C7H4NO44(C6H4N24], contains one CdII atom, two 3-nitrobenzoate (NB anions and two 3-cyanopyridine (CPy ligands. The two CPy ligands act as monodentate N(pyridine-bonding ligands, while the two NB anions act as bidentate ligands through the carboxylate O atoms. The centrosymmetric dinuclear complex is generated by application of inversion symmetry, whereby the CdII atoms are bridged by the carboxylate O atoms of two symmetry-related NB anions, thus completing the distorted N2O5 pentagonal–bipyramidal coordination sphere of each CdII atom. The benzene and pyridine rings are oriented at dihedral angles of 10.02 (7 and 5.76 (9°, respectively. In the crystal, C—H...N hydrogen bonds link the molecules, enclosing R22(26 ring motifs, in which they are further linked via C—H...O hydrogen bonds, resulting in a three-dimensional network. In addition, π–π stacking interactions between parallel benzene rings and between parallel pyridine rings of adjacent molecules [shortest centroid-to-centroid distances = 3.885 (1 and 3.712 (1 Å, respectively], as well as a weak C—H...π interaction, may further stabilize the crystal structure.

Porous nanocubic Mn3O4-Co3O4 composites and their application as electrochemical supercapacitors.

Science.gov (United States)

Pang, Huan; Deng, Jiawei; Du, Jimin; Li, Sujuan; Li, Juan; Ma, Yahui; Zhang, Jiangshan; Chen, Jing

2012-09-14

A simple approach has been developed to fabricate ideal supercapacitors based on porous Mn(3)O(4)-Co(3)O(4) nanocubic composite electrodes. We can easily obtain porous corner-truncated nanocubic Mn(3)O(4)-Co(3)O(4) composite nanomaterials without any subsequent complicated workup procedure for the removal of a hard template, seed or by using a soft template. In such a composite, the porous Mn(3)O(4)-Co(3)O(4) enables a fast and reversible redox reaction to improve the specific capacitance. The porous nanocubic Mn(3)O(4)-Co(3)O(4) composite electrode can effectively transport electrolytes and shorten the ion diffusion path, which offers excellent electrochemical performance. These results suggest that such porous Mn(3)O(4)-Co(3)O(4) composite nanocubes are very promising for next generation high-performance supercapacitors.

Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10-d0 SCALP-Effect Cations.

Science.gov (United States)

Feng, Yuquan; Fan, Huitao; Zhong, Zhiguo; Wang, Hongwei; Qiu, Dongfang

2016-11-21

The new polar 3D cadmium molybdotellurite Cd 3 (MoO 4 )(TeO 3 ) 2 was obtained by means of a high-temperature solid-state method. Cd 3 (MoO 4 )(TeO 3 ) 2 is a monoclinic crystal system, and it exhibits the polar space group P2 1 (No. 4). The structure of Cd 3 (MoO 4 )(TeO 3 ) 2 can be viewed as a complicated 3D architecture that is composed of distorted CdO n (n = 6, 7) polyhedra, TeO 3 trigonal pyramids, and MoO 4 polyhedra. The compound features the first 3D NCS cadmium molybdotellurite with 1D 4- and 6-MR channels and a polar structure originating from the TeO 3 groups, MoO 4 groups, and displacements of d 10 Cd 2+ cations. The results were further confirmed by calculations of the net polarization. The UV-vis spectrum and thermal properties indicate that Cd 3 (MoO 4 )(TeO 3 ) 2 exhibits a broad transparent region and excellent thermal stability. SHG tests of Cd 3 (MoO 4 )(TeO 3 ) 2 revealed that its response is approximately the same as that of KH 2 PO 4 at the same grain size between 105 and 150 μm and that it is phase-matchable.

Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

Energy Technology Data Exchange (ETDEWEB)

Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

2017-09-04

The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)