Sample records for ybasub 2cusub 1-xfesub

  1. Method for preparation of textured YBa.sub.2 Cu.sub.3 O.sub.x superconductor

    DOEpatents

    Selvamanickam, Venkat; Goyal, Amit; Kroeger, Donald M.

    1998-01-01

    The present invention relate to textured YBa.sub.2 Cu.sub.3 O.sub.x (Y-123) superconductors and a process of preparing them by directional recrystallization of compacts fabricated from quenched YBCO powders at temperatures about 100.degree. C. below the peritectic temperature to provide a superconductor where more than 75% of the YBa.sub.2 Cu.sub.3 O.sub.x phase is obtained without any Y.sub.2 BaCuO.sub.5 .

  2. Method of producing superconducting fibers of YBa[sub 2]Cu[sub 3]O[sub x

    DOEpatents

    Schwartzkopf, L.A.; Ostenson, J.E.; Finnemore, D.K.

    1990-11-13

    Fibers of YBa[sub 2]Cu[sub 3]O[sub x] have been produce by pendant drop melt extraction. This technique involves the end of a rod of YBa[sub 2]Cu[sub 3]O[sub x] melted with a hydrogen-oxygen torch, followed by lowering onto the edge of a spinning wheel. The fibers are up to 10 cm in length with the usual lateral dimensions, ranging from 20 [mu]m to 125 [mu]m. The fibers require a heat treatment to make them superconducting.

  3. Laser-induced voltages at room temperature in YBa{sub 2}Cu{sub 3}O{sub 7} and Pr{sub x}Y{sub 1{minus}x}Ba{sub 2}Cu{sub 3}O{sub 7} thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Habermeier, H.U.; Jisrawi, N.; Jaeger-Waldau, G.

    Recent reports on high transient transverse voltages at room temperature in YBa{sub 2}Cu{sub 3}O{sub 7} and Pr{sub x}Y{sub 1{minus}x}Ba{sub 2}Cu{sub 3}O{sub 7} thin films grown on SrTiO{sub 3} single crystal substrates, with a tilt angle between the [001] cubic axis and the substrate surface plane, have been interpreted by thermoelectric fields transverse to a laser-induced temperature gradient which are caused by the non-zero off diagonal elements of the Seebeck tensor. The authors have studied this effect in epitaxially grown Pr-doped, as well as undoped YBa{sub 2}Cu{sub 3}O{sub 7}, thin films and observed for a 2 mm long YBa{sub 2}Cu{sub 3}O{submore » 7} strip exposed to a UV photon fluence of 100 mJ/cm{sup 2} signals as large as 30 V. The unexpected high values for the signals and their doping dependence are discussed within the frame of a model based on a thermopile arrangement, the growth induced defect structure and the doping induced modifications of the material properties.« less

  4. Method for making high-critical-current-density YBa.sub.2 Cu.sub.3 O.sub.7 superconducting layers on metallic substrates

    DOEpatents

    Feenstra, Roeland; Christen, David; Paranthaman, Mariappan

    1999-01-01

    A method is disclosed for fabricating YBa.sub.2 Cu.sub.3 O.sub.7 superconductor layers with the capability of carrying large superconducting currents on a metallic tape (substrate) supplied with a biaxially textured oxide buffer layer. The method represents a simplification of previously established techniques and provides processing requirements compatible with scale-up to long wire (tape) lengths and high processing speeds. This simplification has been realized by employing the BaF.sub.2 method to grow a YBa.sub.2 Cu.sub.3 O.sub.7 film on a metallic substrate having a biaxially textured oxide buffer layer.

  5. Effects of oxygen stoichiometry on the scaling behaviors of YBa{sub 2}Cu{sub 3}O{sub x} grain boundary weak-links

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, K.H.; Fu, C.M.; Jeng, W.J.

    1994-12-31

    The effects of oxygen stoichiometry on the transport properties of the pulsed laser deposited YBa{sub 2}Cu{sub 3}O{sub x} bicrystalline grain boundary weak-link junctions were studied. It is found that not only the cross boundary resistive transition foot structure can be manipulated repeatedly with oxygen annealling processes but the junction behaviors are also altered in accordance. In the fully oxygenated state i.e. with x=7.0 in YBa{sub 2}Cu{sub 3}O{sub x} stoichiometry, the junction critical current exhibits a power of 2 scaling behavior with temperature. In contrast, when annealed in the conditions of oxygen-deficient state (e.g. with x=6.9 in YBa{sub 2}Cu{sub 3}O{sub x}more » stoichiometry) the junction critical current switches to a linear temperature dependence behavior. The results are tentatively attributed to the modification of the structure in the boundary area upon oxygen annealing, which, in turn, will affect the effective dimension of the geometrically constrained weak-link bridges. The detailed discussion on the responsible physical mechanisms as well as the implications of the present results on device applications will be given.« less

  6. Growth of ultrathin twin-free b-oriented YBa{sub 2}Cu{sub 3}O{sub 7} {sub –} {sub x} films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stepantsov, E. A., E-mail: stepantsov@ns.crys.ras.ru; Arpaia, R.; Lombardi, F.

    2017-01-15

    Twin-free b-oriented YBa{sub 2}Cu{sub 3}O{sub 7–x} films with a thickness less than 40 nm have been epitaxially grown on (100)SrLaGaO{sub 4} crystals. Based on the temperature dependence of resistance, the onset temperature of the transition to the superconducting state is found to be 90 K; the transition width is 4 K. The film growth has been performed in two stages. A (100)PrBa{sub 2}Cu{sub 3}O{sub 7–x} buffer layer was previously grown on a (100)SrLaGaO{sub 4} substrate by rf magnetron sputtering in an Ar–O{sub 2} gas mixture at a continuous and monotonic increase in temperature from 660 to 830°C. The main YBa{submore » 2}Cu{sub 3}O{sub 7–x} film was grown on the buffer layer surface by pulsed laser deposition in an oxygen medium at a fixed temperature (800°C). The above processes were implemented in different chambers, which were connected by a vacuum channel for transporting samples. Both films were grown in situ, without contacting atmosphere in all growth stages. An X-ray diffraction study has shown that the YBa{sub 2}Cu{sub 3}O{sub 7–x} films are single-crystal and free of precipitates of other phases and domains of other orientations.« less

  7. Knight shift and spin-echo decay time of YBa{sub 2}Cu{sub 4}O{sub 8} and YBa{sub 2}Cu{sub 3}O{sub 7} in the superconducting state

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pines, D.; Wrobel, P.

    1996-03-01

    We report on calculations of the Knight shift and spin-echo decay time, {ital T}{sub 2{ital G}}, in the superconducting state which are based on a nearly antiferromagnetic Fermi-liquid description of the spin-fluctuation spectrum, in which a single spin component is responsible for the dynamic spin behavior and the magnetic interaction between the planar quasiparticles brings the system close to antiferromagnetic behavior. The dynamic spin susceptibility is described by a random-phase-approximation-like expression, with a restoring force which is unchanged from the normal state, and an irreducible particle-hole susceptibility which reflects the {ital d}{sub {ital x}{sup 2}{minus}{ital y}{sup 2}} symmetry of themore » gap parameter and a quasiparticle Fermi surface consistent with photoemission experiments. We obtain a quantitative fit to the Knight shift results for YBa{sub 2}Cu{sub 4}O{sub 8} with a {ital d}{sub {ital x}{sup 2}{minus}{ital y}{sup 2}} strong coupling gap of maximum magnitude 2.8{ital k}{sub {ital BT}}{sub {ital c}}, and show that quantitative agreement with the recent measurements of {ital T}{sub 2{ital G}} by Corey {ital et al}. may be obtained with this {ital d}{sub {ital x}{sup 2}-{ital y}{sup 2}} pairing state and a quite substantial antiferromagnetic enhancement ({approximately}140) of the static {open_quote}{open_quote}band structure{close_quote}{close_quote} spin susceptibility at wave vectors in the vicinity of {bold Q}=({pi},{pi}). We demonstrate that the experimental results of Corey {ital et al}. rule out an anisotropic {ital s}-wave state. Analogous calculations for the Knight shift of YBa{sub 2}Cu{sub 3}O{sub 7} suggest that the {ital d}{sub {ital x}{sup 2}-{ital y}{sup 2}} strong coupling gap possesses a maximum magnitude, 2.6{ital k}{sub {ital BT}}{sub {ital c}}, and on this basis, we predict a reduction in {ital T}{sup -1}{sub 2{ital G}} of some 5% for the smaller antiferromagnetic enhancement ({approximately}38) expected for this

  8. Electronic correlations in YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ from Auger spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Balzarotti, A.; De Crescenzi, M.; Giovannella, C.

    1987-12-01

    Cu L/sub 3/VV Auger spectra of the superconducting compound YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ have been measured above and below the critical temperature T/sub c/ = 90 K and compared with those of CuO. In the superconductor a localized peak whose intensity increases with temperature is found. Such a structure, lacking in copper oxide, is attributed to electronic correlations in the Cu 3d/sup 8/ configuration.

  9. Ultra low noise YBa{sub 2}Cu{sub 3}O{sub 7−δ} nano superconducting quantum interference devices implementing nanowires

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Arpaia, R.; CNR-SPIN, Dipartimento di Scienze Fisiche, Università degli Studi di Napoli “Federico II,” I-80125 Napoli; Arzeo, M.

    2014-02-17

    We present results on ultra low noise YBa{sub 2}Cu{sub 3}O{sub 7–δ} (YBCO) nano Superconducting QUantum Interference Devices (nanoSQUIDs). To realize such devices, we implemented high quality YBCO nanowires, working as weak links between two electrodes. We observe critical current modulation as a function of an externally applied magnetic field in the full temperature range below the transition temperature T{sub C}. The white flux noise below 1μΦ{sub 0}/√(Hz) at T=8 K makes our nanoSQUIDs very attractive for the detection of small spin systems.

  10. Electronic structure of Pr{sub 1{minus}x}Y{sub x}Ba{sub 2}Cu{sub 3}O{sub y} (x=0, 0.5, and 1.0)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kakinuma, K.; Fueki, K.

    1997-08-01

    In order to elucidate the reason why PrBa{sub 2}Cu{sub 3}O{sub y}is not a superconductor, we examined the Pr valence and measured the oxygen nonstoichiometry and the conductivity at temperatures up to 1200 K for three kinds of oxides, PrBa{sub 2}Cu{sub 3}O{sub y}, (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y}, and YBa{sub 2}Cu{sub 3}O{sub y}. The valence of Pr was found to be +3. Any difference was not found in oxygen nonstoichiometry and conductivity among three kinds of oxides. We analyzed the data of oxygen nonstoichiometry on the basis of defect thermodynamics and calculated the numbers of Cu{sup +}, Cu{sup 2+}, andmore » Cu{sup 3+} ions in the unit cell as a function of y. The number of Cu{sup 3+} ions (the amount of holes) was found to be proportional to ({Delta}y){sup 1.6}({Delta}y=y{minus}6.0), whereas the conductivity was found to be proportional to ({Delta}y){sup 3.2} in these oxides. We interpreted the remarkable increase of {sigma} with {Delta}y as an evidence of the increase of both mobility and hole concentration with {Delta}y. At high temperatures, we detected the conductivity minimum {sigma}{sub min} which was found in the log{sub 10}{sigma}{minus}log{sub 10}P{sub O{sub 2}} plot at constant temperatures. From the slope of the Arrhenius plot for {sigma}{sub min}, the band gap was determined to be 1.21, 1.32, and 1.37 eV for PrBa{sub 2}Cu{sub 3}O{sub y}, (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y} and YBa{sub 2}Cu{sub 3}O{sub y}, respectively. We determined the conductivity of the same oxygen content as a function of temperature from 4.2 to 1200 K. The energy gap {Delta}E between the acceptor level and the top of the valence band was calculated from the slope of the Arrhenius plot for conductivity. {Delta}E for superconducting YBa{sub 2}Cu{sub 3}O{sub y} and (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y} were zero at 300 K but that for nonsuperconducting PrBa{sub 2}Cu{sub 3}O{sub y} was 20 meV at 100 K even for y=6.93. (Abstract

  11. Valence charge fluctuations in YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ from core-level spectroscopies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Balzarotti, A.; De Crescenzi, M.; Motta, N.

    1988-10-01

    From x-ray photoemission and Auger measurements of the Cu 2p and O 1s core levels of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ as a function of the oxygen concentration delta, the average copper charge is determined. Evidence is found of dynamic charge fluctuations on the oxygen sublattice giving rise to a greater concentration of trivalent copper at the Cu(1) sites with respect to that determined by the analysis of neutron-diffraction data. On the basis of our experimental results, we introduce a molecular cluster description for the Cu states. The lowest final-states configurations of Cu/sup 2+/ and Cu/sup 3+/ are c3d/sup 10/Lmore » and c3d/sup 10/L/sup 2/, respectively, where c and L denote core holes on copper and oxygen atoms. Oxygen holes have high mobility and a Hubbard correlation energy less than 2 eV, a signature of their delocalization. The effect of temperature on the spectra is minor. Surface degradation modifies the relative intensity of the structures, particularly those of the O spectrum.« less

  12. Macroscopic shape change of melt-processed YBa{sub 2}Cu{sub 3}O{sub x-}Y{sub 2}BaCuO{sub 5} bulk superconductors.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Diko, P.; Goretta, K. C.; Energy Technology

    A macroscopic change in the shape of five-domain melt-processed YBa{sub 2}Cu{sub 3}O{sub x}/Y{sub 2}BaCuO{sub 5} bulk superconductors is reported and explained. The change, a distortion from circular cross-section, is attributed to liquid transport from a slower growth front in an a-axis direction to a faster growth front in a c-axis direction at the edge between the a- and c-growth fronts, a phenomenon that we call the edge melt distribution (EMD) effect. Formation of bands of higher Y{sub 2}BaCuO{sub 5} particle density along the a/c growth boundaries, which nearly coincide with {l_brace}110{r_brace}-type planes, is explained by the EMD effect.

  13. Current-induced vortex motion and the vortex-glass transition in YBa{sub 2}Cu{sub 3}O{sub y} films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nojima, T.; Kakinuma, A.; Kuwasawa, Y.

    1997-12-01

    Measurements of current-voltage characteristics have been performed on YBa{sub 2}Cu{sub 3}O{sub y} films for two components of electric fields in the ab plane, E{sub x} and E{sub y}, in magnetic fields of the form (H{sub 0},H{sub 0},{delta}H{sub 0}), where x {parallel} the current density J, z {parallel} the c axis, and {delta}{lt}1. The simultaneous measurements of E{sub x} and E{sub y} under these conditions make it possible to analyze the situation of the vortex motion due to the Lorentz force. Our results indicate that vortices move as long-range correlated lines only below the glass transition temperature in a low-current limit.more » We also show that applying high-current density destroys line motion and induces a structural change of vortex lines in the glass state. {copyright} {ital 1997} {ital The American Physical Society}« less

  14. Scanning micro-Hall probe mapping of magnetic flux distributions and current densities in YBa{sub 2}Cu{sub 3}O{sub 7}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xing, W.; Heinrich, B.; Zhou, H.

    1994-12-31

    Mapping of the magnetic flux density B{sub z} (perpendicular to the film plane) for a YBa{sub 2}Cu{sub 3}O{sub 7} thin-film sample was carried out using a scanning micro-Hall probe. The sheet magnetization and sheet current densities were calculated from the B{sub z} distributions. From the known sheet magnetization, the tangential (B{sub x,y}) and normal components of the flux density B were calculated in the vicinity of the film. It was found that the sheet current density was mostly determined by 2B{sub x,y}/d, where d is the film thickness. The evolution of flux penetration as a function of applied field willmore » be shown.« less

  15. Direct observation of vortex structure in a high-{Tc} YBa{sub 2}Cu{sub 3}O{sub 7{minus}y} thin film by Bitter decoration method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sugimoto, Akira; Yamaguchi, Tetsuji; Iguchi, Ienari

    1999-12-01

    The Bitter decoration technique is one of the most powerful techniques to study the vortex structure of superconductor. The authors report the observation of vortex structure in a high {Tc} YBa{sub 2}Cu{sub 3}O{sub 7{minus}y} (YBCO) thin film by Bitter decoration method. The image of vortex structure was monitored by SEM, AFM and high resolution optical microscope. For magnetic field about 4--6mT, a vortex structure is seen. The vortex image varied with changing magnetic field. As compared with the vortex image of a Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+y} single crystal, the observed image appeared to be more randomly distributed.

  16. Effect of microwave-enhanced superconductivity in YBa{sub 2}Cu{sub 3}O{sub 7} bi-crystalline grain boundary weak-links

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fu, C.M.; Chen, C.M.; Lin, H.C.

    1994-12-31

    We have studied systematically the effect of microwave irradiation on the temperature dependent resistivity R(T) and the current-voltage (I-V) characteristics of YBa{sub 2}Cu{sub 3}O{sub 7-x} (YBCO) bicrystalline grain boundary weak-links (GBWLs), with grain boundary of three different tilt angles. The superconducting transition temperature, T{sub c}, has significant enhancement upon microwave irradiation. The microwave enhanced T{sub c} is increased as a function of incidence microwave power, but limited to an optimum power level. The GBWLs of 45{degrees} tilt boundary has shown to be most sensitive to the microwave irradiation power, and the GBWLs of 36.8{degrees} tilt boundary has displayed a moderatemore » response. In contrast, no enhancement of T{sub c} was observed in the GBWLs of 24{degrees} tilt boundary, as well as in the uniform films. Under the microwave irradiation, the R(T) dependence is hysteretic as the transition taken from superconducting state to normal state and vice versa. Mechanisms associated with the redistribution of nonequilibrium quasiparticles under microwave irradiation are discussed.« less

  17. Synthesis of YBa2CU3O7 using sub-atmospheric processing

    DOEpatents

    Wiesmann, Harold; Solovyov, Vyacheslav

    2004-09-21

    The present invention is a method of forming thick films of crystalline YBa.sub.2 Cu.sub.3 O.sub.7 that includes forming a precursor film comprising barium fluoride (BaF.sub.2), yttrium (Y) and copper (Cu). The precursor film is heat-treated at a temperature above 500.degree. C. in the presence of oxygen, nitrogen and water vapor at sub-atmospheric pressure to form a crystalline structure. The crystalline structure is then annealed at about 500.degree. C. in the presence of oxygen to form the crystalline YBa.sub.2 Cu.sub.3 O.sub.7 film. The YBa.sub.2 Cu.sub.3 O.sub.7 film formed by this method has a resistivity of from about 100 to about 600 .mu.Ohm-cm at room temperature and a critical current density measured at 77 K in a magnetic field of 1 Tesla of about 1.0.times.10.sup.5 Ampere per square centimeter (0.1 MA/cm.sup.2) or greater.

  18. Detection and imaging of the oxygen deficiency in single crystalline YBa{sub 2}Cu{sub 3}O{sub 7−δ} thin films using a scanning positron beam

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reiner, M.; Gigl, T.; Hugenschmidt, C.

    2015-03-16

    Single crystalline YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO) thin films were grown by pulsed laser deposition in order to probe the oxygen deficiency δ using a mono-energetic positron beam. The sample set covered a large range of δ (0.191 < δ < 0.791) yielding a variation of the critical temperature T{sub c} between 25 and 90 K. We found a linear correlation between the Doppler broadening of the positron electron annihilation line and δ determined by X-ray diffraction. Ab-initio calculations have been performed in order to exclude the presence of Y vacancies and to ensure the negligible influence of potentially present Ba or Cu vacancies tomore » the found correlation. Moreover, scanning with the positron beam allowed us to analyze the spatial variation of δ, which was found to fluctuate with a standard deviation of up to 0.079(5) within a single YBCO film.« less

  19. Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

    DOEpatents

    Todt, Volker; Miller, Dean J.; Shi, Donglu; Sengupta, Suvankar

    1998-01-01

    A method of fabricating bulk YBa.sub.2 Cu.sub.3 O.sub.x where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa.sub.2 Cu.sub.3 O.sub.x are heated in the presence of a Nd.sub.1+x Ba.sub.2-x Cu.sub.3 O.sub.y seed crystal to a temperature sufficient to form a liquid phase in the YBa.sub.2 Cu.sub.3 O.sub.x while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa.sub.2 Cu.sub.3 O.sub.x material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material.

  20. Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

    DOEpatents

    Todt, V.; Miller, D.J.; Shi, D.; Sengupta, S.

    1998-07-07

    A method of fabricating bulk YBa{sub 2}Cu{sub 3}O{sub x} where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa{sub 2}Cu{sub 3}O{sub x} are heated in the presence of a Nd{sub 1+x}Ba{sub 2{minus}x}Cu{sub 3}O{sub y} seed crystal to a temperature sufficient to form a liquid phase in the YBa{sub 2}Cu{sub 3}O{sub x} while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa{sub 2}Cu{sub 3}O{sub x} material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material. 7 figs.

  1. Method of producing superconducting fibers of YBA2CU30X

    DOEpatents

    Schwartzkopf, Louis A.; Ostenson, Jerome E.; Finnemore, Douglas K.

    1990-11-13

    Fibers of YBa.sub.2 Cu.sub.3 O.sub.x have been produce by pendant drop melt extraction. This technique involves the end of a rod of YBa.sub.2 Cu.sub.3 O.sub.x melted with a hydrogen-oxygen torch, followed by lowering onto the edge of a spinning wheel. The fibers are up to 10 cm in length with the usual lateral dimensions, ranging from 20 .mu.m to 125 .mu.m. The fibers require a heat treatment to make them superconducting.

  2. Thermal and electrochemical behavior of Cu{sub 4−x}Li{sub x}S{sub 2} (x=1, 2, 3) phases

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Erica M.; Poudeu, Pierre F.P., E-mail: ppoudeup@umich.edu

    Several compositions of the Cu{sub 4−x}Li{sub x}S{sub 2} (x=1, 2, 3) series were synthesized via solid-state reaction of the elements. The structural stability at various temperatures and the effect of Li:Cu ratio on the thermal conductivity and the electrochemical performance of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells during charge–discharge process were investigated. Differential scanning calorimetry (DSC) measurements showed a sharp endothermic peak at 140 °C for Cu{sub 4−x}Li{sub x}S{sub 2} samples with x=1 and 2, which is ascribed to a structural phase transition. X-ray diffraction (XRD) measurements on various Cu{sub 4−x}Li{sub x}S{sub 2} samples at temperatures below and above 140 °Cmore » indicated a structural phase transition from the room temperature low-symmetry structure to the high temperature cubic structure of Cu{sub 2}S. The thermal conductivity of Cu{sub 4−x}Li{sub x}S{sub 2} samples decreases with decreasing Cu:Li ratio and with increasing temperature. The thermal conductivity of Cu{sub 4−x}Li{sub x}S{sub 2} samples at room temperature decreases from 1.2 W/m K for Cu:Li=3:1 to 0.7 W/m K for Cu:Li=1:3. Cyclic voltammetry of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells showed that high discharge capacity (165 mA h g{sup −1}) and stable reversible charge–discharge process is observed for Cu:Li=2:2, whereas other Cu:Li ratios lead to low discharge capacity and poor reversibility. The electrochemical behavior of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells is rationalized by taking into account the competing reactions of Li{sup +} ions with CuS and Cu{sub 2}S during discharge. - Graphical abstract: Tuning Li content in Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells to maintain a Cu/Li ratio equal to unity affords maximum capacity and high stability of the charge–discharge process. - Highlights: • Cu:Li ratio strongly influenced crystal structure and properties of Cu{sub 4-x}Li{sub x}S{sub 2}. • Compositions with x = 1 and

  3. The role of a-axis grains in the transition to the normal state of YBa{sub 2}Cu{sub 3}O{sub 7−δ} films and of 2G-coated conductors when induced by high electrical current densities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bernstein, P., E-mail: pierre.bernstein@ensicaen.fr; Harnois, C.; Mc Loughlin, C.

    The influence of surface defects, in particular of a-axis grains, on the transition to the normal state induced by high current densities in YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO) thin films and in a commercial 2G-coated conductor is investigated. For that purpose, the surface of the samples is observed by scanning electron microscopy and isothermal current-voltage curves are measured at different temperatures with pulsed currents up to the quenching value I*. The results show that the ratio of I* to the critical current is large if a-axis grains are not visible at the surface of the YBCO films, while it ismore » much lower if the surface includes a-axis grains as this is the case for the coated conductor. The connection between the transition onset and the vortex dynamics, as well as the role of the a-axis grains in this process are discussed. The relation between the I* values obtained from thermal calculations and those resulting from vortex dynamics considerations is also discussed, as well as the possible consequences suggested by this work for the different applications of the coated conductors.« less

  4. Thermoelectric power of high-pressure synthesized CuBa{sub 2}Ca{sub 3}Cu{sub 4}O{sub 11{minus}{delta}}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, C.; Jin, C.; Yamauchi, H.

    We report measurements of thermoelectric power (TEP) for high-pressure synthesized CuBa{sub 2}Ca{sub 3}Cu{sub 4}O{sub 11{minus}{delta}} superconductors. The magnitude of TEP for the sample with {ital T}{sub {ital c},zero}=115.9 K is very small and shows a sign crossover at {approximately}160 K. The TEP shows a peak behavior and displays an approximately linear temperature dependence with a negative slope {minus}0.033 {mu}V/K{sup 2} for 120{le}{ital T}{le}240 K. These features resemble those for other known high-{ital T}{sub {ital c}} cuprate superconductors, in particular {ital S}{sub {ital a}} in the {ital a} direction for an untwinned YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} single crystal and polycrystalline Tl-2201more » samples. A brief discussion is given on the TEP behavior in comparison with CuBa{sub 2}YCu{sub 2}O{sub 7{minus}{delta}} cuprate superconductors by considering their similar structure of building blocks and type of charge reservoir. {copyright} {ital 1996 The American Physical Society.}« less

  5. Phonon Dispersion Measurements of YBa 2Cu 3O 6.15 and YBa 2Cu 3O 6.95 by Time-of-Flight Neutron Spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chung, J.-H.; Egami, T.; McQueeny, R. J.

    We measured the phonon dispersions of YBa{sub 2}Cu{sub 3}O{sub 6.15} and YBa{sub 2}Cu{sub 3}O{sub 6.95} by time-of-flight inelastic neutron scattering. The in-plane bond-stretching modes in the metallic phase showed a distinct a-b plane anisotropy beyond what is expected for structural origin. Such anisotropy in the longitudinal optical modes, which is absent in the TO, suggests strong in-plane anisotropy in the underlying electronic structure. Apical oxygen bond-stretching modes showed a large frequency change between the insulating and the metallic phases. This large softening also is beyond structural origin, and suggests the effect of local electronic environment.

  6. Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4}: Novel keesterite type solid solutions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lopez-Vergara, F., E-mail: fer_martina@u.uchile.cl; Galdamez, A., E-mail: agaldamez@uchile.cl; Manriquez, V.

    2013-02-15

    A new family of Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} chalcogenides has been synthesized by conventional solid-state reactions at 850 Degree-Sign C. The reactions products were characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray analysis (SEM-EDS), Raman spectroscopy and magnetic susceptibility. The crystal structures of two members of the solid solution series Cu{sub 2}Mn{sub 0.4}Co{sub 0.6}SnS{sub 4} and Cu{sub 2}Mn{sub 0.2}Co{sub 0.8}SnS{sub 4} have been determined by single-crystal X-ray diffraction. Both phases crystallize in the tetragonal keesterite-type structure (space group I4{sup Macron }). The distortions of the tetrahedral volume of Cu{sub 2}Mn{sub 0.4}Co{sub 0.6}SnS{sub 4} and Cu{sub 2}Mn{sub 0.2}Co{sub 0.8}SnS{sub 4}more » were calculated and compared with the corresponding differences in the Cu{sub 2}MnSnS{sub 4} (stannite-type) end-member. The compounds show nearly the same Raman spectral features. Temperature-dependent magnetization measurements (ZFC/FC) and high-temperature susceptibility indicate that these solid solutions are antiferromagnetic. - Graphical abstract: View along [100] of the Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} structure showing tetrahedral units and magnetic measurement ZFC-FC at 500 Oe. The insert shows the 1/{chi}-versus-temperature plot fitted by a Curie-Weiss law. Highlights: Black-Right-Pointing-Pointer Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} solid solutions belong to the family of compounds adamantine. Black-Right-Pointing-Pointer Resolved single crystals of the solid solutions have space group I4{sup Macron }. Black-Right-Pointing-Pointer The distortion of the tetrahedral volume of Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} were calculated. Black-Right-Pointing-Pointer These solid solutions are antiferromagnetic.« less

  7. Structures, thermal expansion properties and phase transitions of Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (0.0 {le} x {le} 2.0).

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cheng, Y. Z.; Wu, M. M.; Peng, J.

    2007-05-03

    Structures, thermal expansion properties and phase transitions of Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (0.0 {le} x {le} 2.0) have been investigated by X-ray diffraction and differential thermal analysis. The partial substitution of Er{sup 3+} for Fe{sup 3+} induces pronounced decreases in the phase transition temperature from monoclinic to orthorhombic structure. Rietveld analysis of the XRD data shows that both the monoclinic and orthorhombic Fe{sub 2}(MoO{sub 4}){sub 3}, as well as the orthorhombic Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (x {le} 0.8) have positive thermal expansion coefficients. However, the linear thermal expansion coefficients of Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (x = 0.6-2.0)more » decrease with increasing content of Er{sup 3+} and for x {ge} 1.0, compounds Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} show negative thermal expansion properties. Attempts for making zero thermal expansion coefficient materials result in that very low negative thermal expansion coefficient of -0.60 x 10{sup -6} C in Er{sub 1.0}Fe{sub 1.0}(MoO{sub 4}){sub 3} is observed in the temperature range of 180-400 C, and zero thermal expansion is observed in Er{sub 0.8}Fe{sub 1.2}(MoO{sub 4}){sub 3} in the temperature range of 350-450 C. In addition, anisotropic thermal expansions are found for all the orthorhombic Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} compounds, with negative thermal expansion coefficients along the a axes.« less

  8. A new series of oxycarbonate superconductors (Cu{sub 0.5}C{sub 0.5}){sub m}Ba{sub m+1}Ca{sub n-1}Cu{sub n}O{sub 2}({sub m+n})+1

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Takayama-Muromachi, E.; Kawashima, T.; Matsui, Y.

    1994-12-31

    We found a new series of oxycarbonate superconductors in the Ba-Ca-Cu-C-O system under high pressure of 5 GPa. Their ideal formula is (Cu{sub 0.5}C{sub 0.5}){sub m}Ba{sub m+1}Ca{sub n-1}Cu{sub n}O{sub 2}({sub m+n})+1 ((Cu,C)-m(m+1)(n-1)n). Thus far, n=3, 4 members of the m=1 series, (Cu,C)-1223 and (Cu,C)-1234, have been prepared in bulk while n=4, 5 members, (Cu,C)-2334 and (Cu,C)-2345, have been prepared for the m=2 series. (Cu,C)-1223 shows superconductivity below 67 K while T{sub c}`s of other compounds are above 110 K. In particular, (Cu,C)=1234 has the highest T{sub c} of 117 K.

  9. A novel fabrication of Cu{sub 2}O@Cu{sub 7}S{sub 4} core-shell micro/nanocrystals from Cu{sub 2}O temples and enhanced photocatalytic activities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Junqi, E-mail: sfmlab@163.com; Sun, Long; Yan, Ying

    2016-08-15

    Highlights: • The Cu{sub 2}O@Cu{sub 7}S{sub 4} core-shell crystals maintained the same morphology with template. • The crystals exhibit enhanced photocatalytic activity than the pure Cu{sub 2}O crystals. • The photocatalytic activity of different R crystals is diverse from each other. • A possible formation mechanism has been proposed. - Abstract: Uniform and monodispersed Cu{sub 2}O@Cu{sub 7}S{sub 4} core-shell micro/nanocrystals have been synthesized successfully at room temperature via a simple chemical etching reaction, using Cu{sub 2}O as sacrificial template. The structure and properties of the crystals were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM),more » X-ray photoelectron spectra (XPS). The photocatalytic activity of the Cu{sub 2}O@Cu{sub 7}S{sub 4} crystals was evaluated by photocatalytic decolorization of MeO (methyl orange) aqueous solution at ambient temperature under visible-light irradiation. The results show that the as-prepared Cu{sub 2}O@Cu{sub 7}S{sub 4} crystals revealed core-shell structure, which maintained the same morphology with corresponding template and were composed of cuboctahedron Cu{sub 7}S{sub 4} shell and active Cu{sub 2}O core. Due to the unique Cu{sub 2}O@Cu{sub 7}S{sub 4} core-shell structure, the crystals exhibit enhanced photocatalytic activity than that of the pure Cu{sub 2}O crystals, and the photocatalytic activity of different R crystals is diverse from each other. A possible formation mechanism has been proposed.« less

  10. (Pt{sub 1–x}Cu{sub x}){sub 3}Cu{sub 2}B and Pt{sub 9}Cu{sub 3}B{sub 5}, the first examples of copper platinum borides. Observation of superconductivity in a novel boron filled β-Mn-type compound

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Salamakha, Leonid P.; Sologub, Oksana, E-mail: oksana.sologub@univie.ac.at; Stöger, Berthold

    New ternary copper platinum borides have been synthesized by arc melting of pure elements followed by annealing at 600 °C. The structures have been studied by X-ray single crystal and powder diffraction. (Pt{sub 1−x}Cu{sub x}){sub 3}Cu{sub 2}B (x=0.33) forms a B-filled β-Mn-type structure (space group P4{sub 1}32; a=0.6671(1) nm). Cu atoms are distributed preferentially on the 8c atom sites, whereas the 12d site is randomly occupied by Pt and Cu atoms (0.670(4) Pt±0.330(4) Cu). Boron is located in octahedral voids of the parent β-Mn-type structure. Pt{sub 9}Cu{sub 3}B{sub 5} (space group P-62m; a=0.9048(3) nm, c=0.2908(1) nm) adopts the Pt{sub 9}Zn{submore » 3}B{sub 5–δ}-type structure. It has a columnar architecture along the short translation vector exhibiting three kinds of [Pt{sub 6}] trigonal prism columns (boron filled, boron semi-filled and empty) and Pt channels with a pentagonal cross section filled with Cu atoms. The striking structural feature is a [Pt{sub 6}] cluster in form of an empty trigonal prism at the origin of the unit cell, which is surrounded by coupled [BPt{sub 6}] and [Pt{sub 6}] trigonal prisms, rotated perpendicularly to the central one. There is no B–B contact as well as Cu–B contact in the structure. The relationships of Pt{sub 9}Cu{sub 3}B{sub 5} structure with the structure of Ti{sub 1+x}Os{sub 2−x}RuB{sub 2} as well as with the structure families of metal sulfides and aluminides have been elucidated. (Pt{sub 1–x}Cu{sub x}){sub 3}Cu{sub 2}B (x=0.3) (B-filled β-Mn-type structure) is a bulk superconductor with a transition temperature of about 2.06 K and an upper critical field μ{sub 0}H{sub C2}(0){sup WHH} of 1.2 T, whereas no superconducting transition has been observed up to 0.3 K in Pt{sub 9}Cu{sub 3}B{sub 5} (Pt{sub 9}Zn{sub 3}B{sub 5–δ}-type structure) from electrical resistivity measurements. - Highlights: • First two copper platinum borides, (Pt{sub 0.67}Cu{sub 0.33}){sub 3}Cu{sub 2}B and Pt{sub 9}Cu{sub

  11. Synthesis of Cu{sub 2}ZnSnS{sub 4} nanoparticles and controlling the morphology with polyethylene glycol

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rawat, Kusum; Department of Electronic Science, University of Delhi South Campus, Delhi 110021; Kim, Hee-Joon

    Highlights: • Cu{sub 2}ZnSnS{sub 4} nanoparticles were synthesized by wet chemical technique. • First report on the effect of using polyethylene glycol as a structure directing agent on Cu{sub 2}ZnSnS{sub 4} nanoparticles. • The morphology of Cu{sub 2}ZnSnS{sub 4} nanoparticles changes into nanoflakes and nanorods structures with polyethylene glycol concentration. • Polyethylene glycol assisted Cu{sub 2}ZnSnS{sub 4} nanoparticle film exhibits optical bandgap of 1.5 eV which is suitable for the application in solar cells. - Abstract: Cu{sub 2}ZnSnS{sub 4} nanoparticles were synthesized by wet chemical technique using metal thiourea precursor at 250 °C. The structural and morphological properties of asmore » grown nanoparticles have been characterized by X-ray diffraction, Raman spectroscopy, scanning electron microscopy and transmission electron microscopy. The influence of different concentration of polyethylene glycol as structure directing agent on the morphologies of Cu{sub 2}ZnSnS{sub 4} nanoparticles are investigated on thin films deposited by spin coating technique. The mean crystallite size of the Cu{sub 2}ZnSnS{sub 4} nanoparticles was found to improve with polyethylene glycol concentration. Scanning electron microscopy images of Cu{sub 2}ZnSnS{sub 4} revealed aggregated spherical shaped nanoparticles whereas the polyethylene glycol assisted Cu{sub 2}ZnSnS{sub 4} nanoparticle films show nanoflakes and nanorods structures with increasing concentration of polyethylene glycol. Transmission electron microscopy analysis has also been performed to determine the size and structure of nanorods. UV–vis absorption spectroscopy shows the broad band absorption with optical bandgap of 1.50 eV for polyethylene glycol assisted Cu{sub 2}ZnSnS{sub 4} films.« less

  12. One-pot synthesis of hierarchical Cu{sub 2}O/Cu hollow microspheres with enhanced visible-light photocatalytic activity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hong, Tianjie; Tao, Feifei, E-mail: feifeitao@usx.edu.cn; Lin, Jiudong

    2015-08-15

    The hierarchical Cu{sub 2}O/Cu hollow microspheres have been fabricated by the one-pot solvothermal redox method, which is one-step approach without any surfactant and template. By using the HRTEM, XRD, XPS and UV–vis spectroscopy, the as-prepared product is composed of Cu{sub 2}O and Cu with energy band gap of 1.72 eV. Based on the time-dependent experiments, the content of Cu{sub 2}O and Cu compositions can be effectively controlled by adjusting the reaction time and a possible mechanism is proposed. In addition, using various dye molecules to stimulate pollutants, the hierarchical Cu{sub 2}O/Cu hollow microspheres reacted for 8 h exhibit excellent visible-lightmore » photocatalytic activities, which is much higher than those of the Cu{sub 2}O/Cu catalysts formed at the shorter reaction time, commercial Cu{sub 2}O powder and the mixture of alone Cu{sub 2}O and Cu. This enhanced photocatalytic performance makes these hierarchical Cu{sub 2}O/Cu hollow microspheres a kind of efficient visible-light photocatalyst in removing some organic compounds in wastewater. - Graphical abstract: The hierarchical Cu{sub 2}O/Cu hollow microspheres with adjustable components have been synthesized by one-step solvothermal redox approach. The special structures and composition lead to the excellent visible-light photocatalytic activity. - Highlights: • The hierarchical Cu{sub 2}O/Cu hollow microspheres are fabricated by one-step approach. • The content of Cu{sub 2}O and Cu can be controlled by adjusting the reaction time. • The material exhibits a better visible-light photocatalytic activity and stability. • Degradation kinetics of MO by Cu{sub 2}O/Cu fits the pseudo first-order model.« less

  13. The new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} and the role of dimensionality in the Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} series

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Trump, Benjamin A., E-mail: btrump1@jhu.edu; Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218; Livi, Kenneth J.T.

    The synthesis and physical properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} are reported. Transmission electron microscopy and powder X-ray diffraction show that the structure consists of alternating rock-salt type BiSe layers and hexagonal (TiSe{sub 2}){sub 2} double layers. Resistivity, specific heat, and magnetization measurements show that it has metallic and diamagnetic behaviors. These results are interpreted and discussed in the context of the transition between single-layer (BiSe){sub 1.13}(TiSe{sub 2}), which shows no charge density wave, and infinite-layered (bulk) 1T-TiSe{sub 2}, which undergoes a charge density wave transition at T=202 K. Intercalation with copper, Cu{sub x}(BiSe){sub 1.15}(TiSe{sub 2}){submore » 2}, (0≤x≤0.10) is also reported, but unlike Cu{sub x}TiSe{sub 2}, no superconductivity is observed down to T=0.05 K. Thus, the series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} provides an effective approach to elucidate the impact of dimensionality on charge density wave formation and superconductivity. - Graphical abstract: The newly discovered misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} shown in the series (BiSe){sub 1+δ}(TiSe{sub 2}){sub n}. Display Omitted - Highlights: • Reports the structure and properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2}. • The structure consists of a rock salt type BiSe layer and a double (TiSe{sub 2}){sub 2} layer. • The n=1, 2 misfits (BiSe){sub 1+δ}(TiSe{sub 2}){sub n} are found not to exhibit CDW transitions. • Evidence is presented that there is likely a low-lying CDW excited state. • The series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub 2} does not superconduct, unlike Cu{sub x}TiSe{sub 2}.« less

  14. Alternating current magnetic susceptibility and heat dissipation by Mn{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} nanoparticles for hyperthermia treatment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kondo, T.; Mori, K.; Hachisu, M.

    2015-05-07

    Mn-Zn ferrite, Mn{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} nanoparticles encapsulated in amorphous SiO{sub 2} were prepared using our original wet chemical method. X-ray diffraction patterns confirmed that the diameters of these particles were within 7–30 nm. Magnetization measurements for various sample compositions revealed that the saturation magnetization (M{sub s}) of 7 nm particles was maximum for the x = 0.2 sample. AC magnetic susceptibility measurements were performed for Mn{sub 0.8}Zn{sub 0.2}Fe{sub 2}O{sub 4} (x = 0.2) samples with 13–30 nm particles. The peak of the imaginary part of the magnetic susceptibility χ″ shifted to higher temperatures as the particle size increased. An AC field was found to causemore » the increase in temperature, with the 18 nm particles exhibiting the highest temperature increase, as expected. In addition, in vitro experiments were carried out to study the hyperthermia effects of Mn{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} (x = 0.2, 18 nm) particles on human cancer cells.« less

  15. Calcination and solid state reaction of ceramic-forming components to provide single-phase superconducting materials having fine particle size

    DOEpatents

    Balachandran, Uthamalingam; Poeppel, Roger B.; Emerson, James E.; Johnson, Stanley A.

    1992-01-01

    An improved method for the preparation of single phase, fine grained ceramic materials from precursor powder mixtures where at least one of the components of the mixture is an alkali earth carbonate. The process consists of heating the precursor powders in a partial vacuum under flowing oxygen and under conditions where the partial pressure of CO.sub.2 evolved during the calcination is kept to a very low level relative to the oxygen. The process has been found particularly suitable for the preparation of high temperature copper oxide superconducting materials such as YBa.sub.2 Cu.sub.3 O.sub.x "123" and YBa.sub.2 Cu.sub.4 O.sub.8 "124".

  16. Effects of copper excess and copper deficiency on the structural and electrical properties of bulk Cu{sub x}SnSe{sub 3} with x=1.6–2.2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wubet, Walelign; Kuo, Dong-Hau, E-mail: dhkuo@mail.ntust.edu.tw

    2015-03-15

    Effects of the Cu variation on the morphological, structural, and electrical properties of bulk Cu{sub x}SnSe{sub 3} (CTSe) with x=1.6–2.2 have been investigated. Dense CTSe pellets with grains of 3–4 µm were obtained after sintering at 550 °C. All CTSe pellets showed a dominant p-type behavior. CTSe at x=2.0 with a hole concentration (n{sub p}) of 1.02×10{sup 18} cm{sup −3} and Hall mobility (μ) of 225 cm{sup 2}/V/s had a highest conductivity (σ) of 39 S/cm. CTSe at x=1.6 with n{sub p} of 5.0×10{sup 17} cm{sup −3} and of 11 cm{sup 2}/V/s had a lowest of 0.90 S/cm. The explanation,more » based upon vacancies and antisite defects, for the changes in electrical property with the Cu content is supported by the data from lattice parameter. The study in bulk properties of CTSe and its defects is helpful for selecting the suitable absorber composition to fabricate thin film solar cells. - Graphical abstract: Cu{sub 2}SnSe{sub 3} is an absorber candidate for solar cells. The Cu stoichiometry on electrical properties, which is important for CIGS and CZTS, is investigated and the Cu-deficiency composition is recommended. - Highlights: • Cu{sub x}SnSe{sub 3} (CTSe) bulks with 1.6≤x≤2.2 were prepared by reactive sintering. • Cu{sub 2}SnSe{sub 3} with n{sub p} of 1.02×10{sup 18} cm{sup −3} and μ of 225 cm{sup 2}/V/s had highest σ of 39 S/cm. • Cu{sub 1.6}SnSe{sub 3} with n{sub p}=5.0×10{sup 17} cm{sup −3} and μ=11 cm{sup 2}/V/s had lowest σ=0.90 S/cm. • Lower n{sub p} at CTSe at x=1.6 is related to the formation of the Sn-to-Cu defect. • The drop in n{sub p} for CTSe at x=2.2 indicates V{sub Sn}{sup 4−} dominates over Cu{sub Sn}{sup 3−} defect.« less

  17. Fabrication of microwave guides using high-Tc superconductors. Final report, 15 July 1989-14 January 1990

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Trivedi, S.B.

    1990-01-14

    The objective of this study was to produce bulk high Tc superconductor YBa{sub 2}Cu{sub 3}O{sub 7-x} with microwave conductivity at least as good or better than that of copper. The subsequent aim was to fabricate cylindrical wave guide using this material. The ultimate goal of this study is to produce YBa{sub 2}Cu{sub 3}O{sub 7-x} with microwave conductivity exceedingly higher (at least two orders of magnitude better) than that of copper. In principle, this is possible if the microstructure of the superconductor material is carefully controlled. The above-stated goal could be easily achieved if the large single crystals of YBa{sub 2}Cu{submore » 3}O{sub 7-x} are available or if the inside surface of a suitable substrate material in the form of hollow cylinder, could be coated with the superconductor material of high quality. The former approach, currently, seems to be far from practical realization.« less

  18. Cadmium effect on structural properties of Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloys nanostructures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ibraheam, A. S.; Al-Douri, Y., E-mail: yaldouri@yahoo.com; Hashim, U.

    The study report novel sensing plat of extended quinternart materials, Cu{sub 2}Zn{sub 1-x}d{sub x}SnS{sub 4} quinternary alloy nanostructures were fabricated onto oxidized silicon substrate by sol-gel method and characterized were synthesized by X-ray diffraction (XRD). The XRD peaks were shifted towered the lower angle side with increasing cadmium content. The practical size average of the Cu{sub 2}Zn{sub 1-x}d{sub x}SnS{sub 4} quinternary alloy nanostructures between 34.55 to 63.30 nm.

  19. Fabrication and characterization of Cu/sub 2/S-CdZnS solar cells. Final report. Realisation et caracterisation de cellules solaires Cu/sub 2/S-CdZnS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cadene, M.

    Thin films of Cd sub(1-y)Zn sub y S (0 < y < 0.2) have been prepared either by thermal evaporation of the powdered solids from a single crucible, or by rapid evaporation from two crucibles. Different methods were used to characterise the films according to their structural, electrical and electron-optical properties as a function of the amount of Zn in the film. Both liquid-phase and solid-phase ion exchange processes have been used to deposit a thin film of Cu/sub 2/S on the Cd sub(1-y)Zn sub y S film to produce a p-n hetero-junction. A study of the growth of themore » Cd/sub 2/S layer has been carried out. Photocurrents and voltages have been determined for these Cu/sub 2/S-CdZnS cells.« less

  20. Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xiao, Yu; Pei, Yanling; Chang, Cheng

    Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from ~1.8 W m{sup −1} K{sup −1} to ~0.9 W m{sup −1} K{sup −1}, and the electrical conductivity decreases from ~850 S/cm to ~163 S/cm in the measured temperature range. To investigate how potential of Bi{sub 2}YO{sub 4}Cu{submore » 2}Se{sub 2} system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to ~+80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of ~0.7 W m{sup −1} K{sup −1} could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70–72 GPa, and Grüneisen parameters of 1.55–1.71. The low thermal conductivity makes Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system to be a potential thermoelectric material, the ZT value ~0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc. - Highlights: • The total thermal conductivity decreases from 1.8 to 0.9 Wm{sup –1}K{sup –1} at 300–873K. • The electrical conductivity decreased from 850 to 163 S/cm at 300–873K. • The Seebeck coefficients were enhanced through heavily Iodine doping. • The ZT ~0.06 at 873K suggests that Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} systems are potential thermoelectrical materials.« less

  1. Synthesis, thermal and electrical properties of Al-doped Bi{sub 4}V{sub 1.8}Cu{sub 0.2}O{sub 10.7}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Essalim, R.; Ammar, A.; Tanouti, B.

    2016-08-15

    Partial substitution of copper with aluminum in Bi{sub 4}V{sub 1.8}Cu{sub 0.2}O{sub 10.7} has led to the Bi{sub 4}V{sub 1.8}Cu{sub 0.2−x}Al{sub x}O{sub 10.7+x/2} solid solution. X-ray diffraction and thermal analysis have shown that the compounds with x=0.05 and x=0.10 are tetragonal with γ′ form of Bi{sub 4}V{sub 2}O{sub 11}, while the compound with x=0.15 is of β polymorph. The effect of Al{sup 3+} doping on electrical conductivity has been studied using Electrochemical Impedance Spectroscopy. The electrical conductivity of doped samples along with the amount of Al{sup 3+} has been studied by electrochemical impedance spectroscopy in the temperature range 250–700 °C. Themore » slope changes observed in the Arrhenius plots agree with the microstructural transitions occurring in these compounds. The highest ionic conductivity values are obtained for the sample with x=0.05. - Graphical abstract: Arrhenius plots of the electrical conductivity of the of Bi{sub 4}V{sub 1.8}Cu{sub 0.2−x}Al{sub x}O{sub 10.7+x/2} compounds. Display Omitted.« less

  2. Thermoelectric and mechanical properties of spark plasma sintered Cu{sub 3}SbSe{sub 3} and Cu{sub 3}SbSe{sub 4}: Promising thermoelectric materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tyagi, Kriti; Gahtori, Bhasker; Bathula, Sivaiah

    2014-12-29

    We report the synthesis of thermoelectric compounds, Cu{sub 3}SbSe{sub 3} and Cu{sub 3}SbSe{sub 4}, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu{sub 3}SbSe{sub 4} exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu{sub 3}SbSe{sub 3}, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu{sub 3}SbSe{sub 4} was found to be ∼1.2 as compared to 0.2 V{sup −1} for Cu{sub 3}SbSe{sub 3} at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracturemore » toughness values were far superior to the other competing state-of-the-art thermoelectric materials.« less

  3. Electronic Phase Separation in the Slightly Underdoped Iron Pnictide Superconductor Ba{sub 1-x}K{sub x}Fe{sub 2}As{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Park, J. T.; Inosov, D. S.; Sun, G. L.

    2009-03-20

    Here we present a combined study of the slightly underdoped novel pnictide superconductor Ba{sub 1-x}K{sub x}Fe{sub 2}As{sub 2} by means of x-ray powder diffraction, neutron scattering, muon-spin rotation ({mu}SR), and magnetic force microscopy (MFM). Static antiferromagnetic order sets in below T{sub m}{approx_equal}70 K as inferred from the neutron scattering and zero-field-{mu}SR data. Transverse-field {mu}SR below T{sub c} shows a coexistence of magnetically ordered and nonmagnetic states, which is also confirmed by MFM imaging. We explain such coexistence by electronic phase separation into antiferromagnetic and superconducting- or normal-state regions on a lateral scale of several tens of nanometers. Our findings indicatemore » that such mesoscopic phase separation can be considered an intrinsic property of some iron pnictide superconductors.« less

  4. Study on the solid solution of YMn{sub 1-x}Fe{sub x}O{sub 3}: Structural, magnetic and dielectric properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Samal, S.L.; Green, W.; Lofland, S.E.

    The solid solution of YMn{sub 1-x}Fe{sub x}O{sub 3} (x=0.0, 0.1, 0.2, 0.3, 0.5, 1.0) was synthesized from the citrate precursor route. The hexagonal crystal structure related to YMnO{sub 3} was stable for x{<=}0.3. Rietveld refinement was carried out on the composition for x=0.3 and was refined to a major hexagonal phase ({approx}97%) with 3% of orthorhombic Y(Fe/Mn)O{sub 3} phase. The a-axis lattice constant increases and the c-axis lattice constant decreases with x for x{<=}0.2. The increase in the c-axis lattice constant at x=0.3 could be due to the doping of significant amount of d{sup 5} ion (high spin Fe{sup 3+}more » ion) in a trigonal bipyramidal crystal field. The detailed structural, magnetic and dielectric properties are discussed. - Graphical abstract: Temperature dependence of {epsilon} of YMn{sub 1-x}Fe{sub x}O{sub 3} (0.0{<=}x{<=}0.3) at 100 kHz. Inset shows the temperature variation of inverse magnetic susceptibility.« less

  5. Direct synthesis of Cu{sub 2}O-RGO nanocomposite on Cu foil by thermal evaporation method and its field emission study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bansode, Sanjeewani; Khare, Ruchita; Harpale, Kashmira

    2015-06-24

    In this work, a facile one step thermal evaporation method for deposition of Cu{sub 2}O nanoparticles on RGO sheets to form Cu{sub 2}O-RGO nanocomposite is discussed. To the best of our knowledge, this is the first report on Cu{sub 2}O-RGO nanocomposite, directly grown on Cu foil by a simple thermal evaporation route. The as –prepared nanocomposite exhibits well dispersed Cu{sub 2}O nanoparticles distributed all over the graphene sheet. Field emission properties of the nanocomposite were investigated at a base pressure of 1*10{sup −8} torr. The turn on field, required to draw emission current density of 0.1µA/cm2, was found to bemore » 3.8V/µm with a maximum emission current density of 80 µA/cm2 at an applied field of 6.8 V/µm. Moreover, the nanocomposite shows fairly good emission stability without significant degradation of emission current. The FE results seem to be encouraging, indicative of potential candidature of the Cu{sub 2}O-RGO nanocomposite emitter as an electron source for practical applications in vacuum nanoelectronic devices.« less

  6. Trap-assisted large gain in Cu{sub 2}O/C{sub 60} hybrid ultraviolet/visible photodetectors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Lan; Xi, Qiaoyue; Gao, Ge

    2016-04-18

    Photomultiplication-type ultraviolet (UV)/visible photodetectors (PDs) are demonstrated in an electrodeposited Cu{sub 2}O/C{sub 60} hybrid structure. These simple organic/inorganic hybrid PDs exhibit external quantum efficiencies (EQEs) of 1.1 × 10{sup 4}% under illumination of 365 nm UV light at −3 V, indicating a large gain of photocurrent for these devices. Such an EQE is one of the highest values among the reported organic/inorganic hybrid PDs at the same voltage. Cu{sub 2}O and C{sub 60} are found to play different roles in realizing the photomultiplication. Copper vacancies are proposed as the defects in the electrodeposited Cu{sub 2}O layers, which can trap photogenerated holes. Such trapped holesmore » will trigger the injection of multiple electrons and hence result in the photocurrent gain of the devices while C{sub 60} primarily acts as a light absorption media to provide free holes.« less

  7. Phase relations in the system Cu-Ho-O and stability of Cu{sub 2}Ho{sub 2}O{sub 5}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Matthews, T.; Jacob, K.T.

    1994-01-01

    The phase relations in the system Cu-Ho-O have been determined at 1300 K using X-ray diffraction, optical microscopy, and electron microprobe analysis of samples equilibrated in evacuated quartz ampules and in pure oxygen. Only one ternary compound, Cu{sub 2}Ho{sub 2}O{sub 5}, was found to be stable. The Gibbs free energy of formation of this compound has been measured. Since the formation is endothermic, Cu{sub 2}Ho{sub 2}O{sub 5} becomes thermodynamically unstable with respect to CuO and Ho{sub 2}O{sub 3} below 810 K. When the oxygen partial pressure over Cu{sub 2}Ho{sub 2}O{sub 5} is lowered, it decomposes. The decomposition temperature at anmore » oxygen partial pressure of 1.52 X 10{sup 4} Pa was measured using a combined DTA-TGA apparatus. Based on these results, an oxygen potential diagram for the system Cu-Ho-O at 1300 K is presented.« less

  8. High temperature neutron powder diffraction study of the Cu{sub 12}Sb{sub 4}S{sub 13} and Cu{sub 4}Sn{sub 7}S{sub 16} phases

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lemoine, Pierric, E-mail: pierric.lemoine@univ-rennes1.fr; Bourgès, Cédric; Barbier, Tristan

    Ternary copper-containing sulfides Cu{sub 12}Sb{sub 4}S{sub 13} and Cu{sub 4}Sn{sub 7}S{sub 16} have attracted considerable interest since few years due to their high-efficiency conversion as absorbers for solar energy and promising thermoelectric materials. We report therein on the decomposition study of Cu{sub 12}Sb{sub 4}S{sub 13} and Cu{sub 4}Sn{sub 7}S{sub 16} phases using high temperature in situ neutron powder diffraction. Our results obtained at a heating rate of 2.5 K/min indicate that: (i) Cu{sub 12}Sb{sub 4}S{sub 13} decomposes above ≈792 K into Cu{sub 3}SbS{sub 3}, and (ii) Cu{sub 4}Sn{sub 7}S{sub 16} decomposes above ≈891 K into Sn{sub 2}S{sub 3} and amore » copper-rich sulfide phase of sphalerite ZnS-type structure with an assumed Cu{sub 3}SnS{sub 4} stoichiometry. Both phase decompositions are associated to a sulfur volatilization. While the results on Cu{sub 12}Sb{sub 4}S{sub 13} are in fair agreement with recent published data, the decomposition behavior of Cu{sub 4}Sn{sub 7}S{sub 16} differs from other studies in terms of decomposition temperature, thermal stability and products of reaction. Finally, the crystal structure refinements from neutron powder diffraction data are reported and discussed for the Cu{sub 4}Sn{sub 7}S{sub 16} and tetrahedrite Cu{sub 12}Sb{sub 4}S{sub 13} phases at 300 K, and for the high temperature form of skinnerite Cu{sub 3}SbS{sub 3} at 843 K. - Graphical abstract: In situ neutron powder diffraction data (heating rate of 2.5 K/min) indicates that (i) the ternary Cu{sub 12}Sb{sub 4}S{sub 13} phase is stable up to 792 K and decomposes at higher temperature into Cu{sub 3}SbS{sub 3} and Cu{sub 1.5}Sb{sub 0.5}S{sub 2}, and (ii) the Cu{sub 4}Sn{sub 7}S{sub 16} phase is stable up to 891 K and decomposes at higher temperature into Sn{sub 2}S{sub 3} and a cubic phase of sphalerite ZnS-type structure. Sulfur volatilization likely occurs in order to balance the overall stoichiometry.« less

  9. Structural and electrical properties of Si- and Ti-doped Cu{sub 2}SnSe{sub 3} bulks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wubet, Walelign; Kuo, Dong-Hau, E-mail: dhkuo@mail.ntust.edu.tw

    2015-07-15

    Silicon-doped (Cu{sub 2}(Sn{sub 1−x}Si{sub x})Se{sub 3} and titanium-doped (Cu{sub 2}(Sn{sub 1−x}Ti{sub x})Se{sub 3} at x=0, 0.05, 0.1, 0.15, and 0.2 were prepared at 550 °C for 2 h with soluble sintering aids of volatile Sb{sub 2}S{sub 3} and Te. Defect chemistry was studied by measuring structural and electrical properties of Si-doped and Ti-doped Cu{sub 2}SnSe{sub 3} (CTSe) as a function of dopant concentration. Si-doped CTSe pellets show p-type at x=0 and 0.05 and n-type at x=0.1, 0.15, and 0.2, whereas Ti-doped CTSe pellets show p-type at x=0, 0.05 and 0.1 and n-type at x=0.15 and 0.2. The lowest hole concentrationmore » of 3.6×10{sup 17} cm{sup −3} and the highest mobility of 1525 cm{sup 2} V{sup −1} s{sup −1} were obtained for the Si-doped (Cu{sub 2}(Sn{sub 1−x}Si{sub x})Se{sub 3} bulks at x=0.1 (10% Si), while they were 3.1×10{sup 17} cm{sup −3} and 813 cm{sup 2} V{sup −1} s{sup −1} for the Ti-doped CTSe bulks at x=0.15 (15% Ti), as compared to 1.1×10{sup 18} cm{sup −3} and 209 cm{sup 2} V{sup −1} s{sup −1} for undoped one. The explanations based upon antisite defects of Si-to-Sn, Ti-to-Sn, Cu-to-Sn, and Sn-to-Cu for the changes in electrical property were declared. The study in bulk Si-doped and Ti-doped CTSe is based upon defect state and is consistent and supported by the data of electrical property and lattice parameter. - Graphical abstract: Cu{sub 2}SnSe{sub 3} (CTSe) semiconductor is interesting because of its adjustable electrical properties by extrinsic doping. Si and Ti doping in CTSe leads to high carrier mobility above 800 cm{sup 2} V{sup −1} s{sup −1}. - Highlights: • Cu{sub 2}SnSe{sub 3} (CTSe) is an interesting semiconductor because of its adjustable electrical properties. • Cu(In,Ga)Se{sub 2}, on the contrary, is difficult to change its electrical properties. • Si and Ti doping can change p-CTSe to n-CTSe. • The lowest electron concentration in doped CTSe had the highest mobility above 800 cm{sup 2

  10. Composition and phase analysis of nanocrystalline Ba{sub x}Sr{sub 1-x}Fe{sub 12}O{sub 19} (x = 1.0; 0.6; and 0.4) by using general structure analysis system

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gunanto, Y. E., E-mail: yohanes.gunanto@uph.edu; Jobiliong, E., E-mail: eric.jobiliong@uph.edu; Adi, Wisnu Ari, E-mail: dwisnuaa@batan.go.id

    2016-03-11

    Single phase of nanocrystalline Ba{sub x}Sr{sub 1-x}Fe{sub 12}O{sub 19} (x = 1.0; 0.6; and 0.4) was successfully synthesized by mechanical milling method and thermal process. Stoichiometric quantities of analytical-grade SrCO{sub 3}, BaCO{sub 3}, and Fe{sub 2}O{sub 3}, were mixed and milled using a high-energy milling. The mixture of all precursors was sintered at a temperature of 1000 °C for 10 hours. The refinement of x-ray diffraction trace for all samples confirmed a single phase material with a hexagonal structure. The increase of the amount of strontium content in the barium atoms in the Ba{sub x}Sr{sub 1-x}Fe{sub 12}O{sub 19} system canmore » decrease the lattice parameter which have been successfully substituted into the barium atoms. The calculation result of cationic distribution showed that the Ba{sub x}Sr{sub 1-x}Fe{sub 12}O{sub 19} (x = 0.6) and (x = 0.4) samples have nominal composition of Ba{sub 0,61}Sr{sub 0,39}Fe{sub 12}O{sub 19} and Ba{sub 0,37}Sr{sub 0,63}Fe{sub 12}O{sub 19}, respectively. Results of the mean of crystallite size evaluation for respective powder materials showed that the Ba{sub x}Sr{sub 1-x}Fe{sub 12}O{sub 19} (x = 1.0; 0.6; and 0.4) samples have the crystallite size of 22 nm, 25 nm and 34 nm, respectively. We concluded that the cationic distribution of barium atoms was successfully substituted by strontium atoms approaching the nominal stoichiometric composition.« less

  11. Low laser power micro-Raman study of Co{sub (1−x)}Mn{sub (x)}Fe{sub 2}O{sub 4} prepared by flash combustion method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baraliya, J. D.

    2016-05-23

    Manganese substituted Cobalt ferrites of composition with nominal formula Co{sub (1−x)}Mn{sub (x)}Fe{sub 2}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) prepared by the Flash Combustion Method(FCM). The single phase spinel formation of nano ferrites was confirmed by X-ray diffraction techniques and micro - Raman spectroscopy. The particle size calculated from the Scherrer formula varied within 13 to 17 nm. Lattice parameter, nano particle size, and cation distribution were quantified as a function of the Mn-content in the range x = 0.0 to 1.0. Micro-Raman spectroscopic studies yielded convincing evidence for a transformation of the structure.

  12. Mechanochemical synthesis of nanostructured Sr(Ti{sub 1-x}Fe{sub x})O{sub 3-{delta}} solid-solution powders and their surface photovoltage responses

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen Xiaofeng; Luo Qiong; GlobalFoundries Singapore Pte Ltd, 60 Woodlands Industrial Park D Street 2, Singapore 738406

    2012-05-15

    A series of nanostructure Sr(Ti{sub 1-x}Fe{sub x})O{sub 3-{delta}} (STFx, x=0.4, 0.6, 0.8) solid-solution powders were synthesized by mechanochemical approach milling from the mixture of SrO, Fe{sub 2}O{sub 3} and TiO{sub 2} metal oxides at room temperature. The XRD results revealed that the perovskite STFx nanoparticles were finally formed with few residual {alpha}-Fe{sub 2}O{sub 3} detected dependent on the milling conditions. The structure evolution suggested that the mechanochemical synthesis underwent via a solid-state reaction route to initially form Ti-rich perovskite and then incorporate with the residual {alpha}-Fe{sub 2}O{sub 3} to achieve the estimated composition. The synthesized STF08 powders exhibited the significantmore » Surface Photovoltage (SPV) spectrum response both in UV and in visible-light region with p-type semiconductor behavior. This finding suggested that the synthesized STF nanopowders could potentially utilize more solar spectrum energy effectively for photo-oxidation and photo-catalysis applications. - Graphical abstract: It is demonstrated that Sr(Ti{sub 1-x}Fe{sub x})O{sub 3-{delta}} perovskite nanopowders were successfully synthesized by mechanochemical reaction approach at room temerpature, and the synthesized STF08 powders showed the significant SPV response in UV-VIS region with p-type semiconductor behaviors. Highlights: Black-Right-Pointing-Pointer Sr(Ti{sub 1-x}Fe{sub x})O{sub 3-{delta}} nanopowders synthesized by mechanochemical reaction approach. Black-Right-Pointing-Pointer The reaction process was shorten by introduce high impact energy. Black-Right-Pointing-Pointer Synthesized STF08 powders show the significant SPV response in UV-VIS region. Black-Right-Pointing-Pointer Synthesized STFx powders show p-type semiconductor behaviors.« less

  13. Local structures in mixed Li{sub x}Fe{sub 1−y}M{sub y}PO{sub 4} (M=Co, Ni) electrode materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jalkanen, K.; Lindén, J.; Karppinen, M., E-mail: maarit.karppinen@aalto.fi

    We employ {sup 57}Fe Mössbauer spectroscopy as a local tool to probe electrical environments of Fe{sup 2+} and Fe{sup 3+} at different lithiation (x) and cation-substitution (y) levels in Li{sub x}Fe{sub 1−y}M{sub y}PO{sub 4}/C (M=Co, Ni) Li-ion battery electrode materials. Upon delithiation the local environment of Fe{sup 3+} remains unaffected for the parent y=0 system due to the LiFePO{sub 4}/FePO{sub 4} phase separation, whereas for y>0 changes in the electrical environment are seen for Fe{sup 3+}. When the Fe{sup 2+}/Fe{sup 3+} redox couple is partially-delithiated, a decreasing quadrupole splitting value is observed for Fe{sup 3+} with increasing y, implying amore » more symmetric electrical environment. The increasing concentration of the Co{sup 2+}/Ni{sup 2+} substituent introduces increasing amounts of Li atoms in the Fe{sup 3+}-containing phase, and these nearest-neighbor Li atoms are suspected to cause the changes seen in the local environment of Fe{sup 3+}. - Graphical abstract: Local environment of iron in Li{sub x}Fe{sub 1−y}(Co/Ni){sub y}PO{sub 4} is studied by {sup 57}Fe Mössbauer spectroscopy at different lithiation (x) and cation-substitution (y) levels. - Highlights: • Local Fe environment in Li{sub x}Fe{sub 1−y}(Co/Ni){sub y}PO{sub 4} is studied by {sup 57}Fe Mössbauer spectroscopy. • Co/Ni-for-Fe substitution results in a more symmetric electrical environment for Fe{sup 3+}. • Due to presence of Co{sup 2+}/Ni{sup 2+}, Li atoms are introduced into the Fe{sup 3+}-containing phase. • These nearest-neighbor Li atoms are suggested to change the local Fe{sup 3+} environment.« less

  14. Effects of Pd substitution on the thermoelectric and electronic properties of delafossite Cu{sub 1−x}Pd{sub x}FeO{sub 2} (x=0.01, 0.03 and 0.05)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ruttanapun, Chesta, E-mail: chesta.ruttanapun@gmail.com

    Cu{sub (1−x)}Pd{sub (x)}FeO{sub 2} (x=0.01, 0.03 and 005) delafossite was prepared by solid state reactions and was calcined/sintered at 1050 °C. The effect of Pd{sup 2+} substitution for the Cu{sup 1+} sites on the thermoelectric and electronic properties of Cu{sub (1−x)}Pd{sub (x)}FeO{sub 2} were investigated. The crystal structure, oxygen decomposition, thermoelectric and electronic properties were characterized by X-ray diffraction, thermogravimetric analysis, X-ray photoelectron spectroscopy (XPS), Seebeck coefficient, electrical conductivity and thermal conductivity measurements. The characterization showed that Cu{sub (1−x)}Pd{sub (x)}FeO{sub 2} formed a hexagonal delafossite structure with R3−m symmetry. The existence of Pd{sup 2+}, Cu{sup 1+}, Cu{sup 2+}, Fe{sup 3+},more » Fe{sup 4+} and O was revealed from the XPS results. Confirmation of Pd{sup 2+} substitution for the Cu{sup 1+} sites occurred by increasing the c-axis in the lattice parameter with a Pd content. The O content intercalated at the center of the triangular Cu acted as a support to produce Cu{sup 2+} ions and was reduced with an increasing Pd content. The mixed valencies of Cu{sup 1+}/Cu{sup 2+} and Cu{sup 1+}/Pd{sup 2+} in the Cu layer changed the electrical conductivity and the Fe{sup 3+}/Fe{sup 4+} mixed valencies in the FeO{sub 6} layer caused the Seebeck coefficient to increase. Both the electrical conductivity and Seebeck coefficient for Pd contents of x=0.01 and 0.03 were higher than that of non-doped CuFeO{sub 2}. The low thermal conductivity of Cu{sub (1−x)}Pd{sub (x)}FeO{sub 2} resulted from the substitution of Pd, which has a large atomic mass, into structure. The Jonker plot indicated that the electronic properties displayed a degenerate density of states and that Cu{sub (1−x)}Pd{sub (x)}FeO{sub 2} was a semiconductor. A high ZT value of 0.055 was obtained for a Pd content of 0.03 at 950 K. The Pd{sup 2+} substitution for the Cu{sup 1+} sites influenced the

  15. Synthesis and characterization of a 1D chain-like Cu{sub 6} substituted sandwich-type phosphotungstate with pendant dinuclear Cu–azido complexes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Yan-Ying; Zhao, Jun-Wei, E-mail: zhaojunwei@henu.edu.cn; Wei, Qi

    A novel Cu–azido complex modified hexa-Cu{sup II} substituted sandwich-type phosphotungstate [Cu(en){sub 2}]([Cu{sub 2}(en){sub 2}(μ-1,1-N{sub 3}){sub 2}(H{sub 2}O)]{sub 2}[Cu{sub 6}(en){sub 2}(H{sub 2}O){sub 2}(B-α-PW{sub 9}O{sub 34}){sub 2}])·6H{sub 2}O (1) (en=ethylene-diamine) has been prepared under hydrothermal conditions and structurally characterized by elemental analyses, IR spectra, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. 1 displays a beautiful 1-D chain architecture constructed from sandwich-type [Cu{sub 2}(en){sub 2}(μ-1,1-N{sub 3}){sub 2}(H{sub 2}O)]{sub 2}[Cu{sub 6}(en){sub 2}(H{sub 2}O){sub 2}(B-α-PW{sub 9}O{sub 34}){sub 2}]{sup 2−} units and [Cu(en){sub 2}]{sup 2+} linkers. To our knowledge, 1 represents the first hexa-Cu{sup II} sandwiched phosphotungstate with supporting Cu–azido complexes. - Graphical abstract: Themore » first hexa-Cu{sup II} sandwiched phosphotungstate with supporting Cu–azido complexes has been prepared and characterized. Display Omitted - Highlights: • Hexa-copper-substituted phosphotungstate. • Cu–azido complexes modified hexa-Cu{sup II} substituted sandwich-type polyoxometalate. • 1-D chain architecture built by hexa-copper-substituted polyoxotungstate units.« less

  16. Thermodynamic analysis of binary Fe{sub 85}B{sub 15} to quinary Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloys for primary crystallizations of α-Fe in nanocrystalline soft magnetic alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Takeuchi, A., E-mail: takeuchi@imr.tohoku.ac.jp; Zhang, Y.; Takenaka, K.

    2015-05-07

    Fe-based Fe{sub 85}B{sub 15}, Fe{sub 84}B{sub 15}Cu{sub 1}, Fe{sub 82}Si{sub 2}B{sub 15}Cu{sub 1}, Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, and Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} (NANOMET{sup ®}) alloys were experimental and computational analyzed to clarify the features of NANOMET that exhibits high saturation magnetic flux density (B{sub s}) nearly 1.9 T and low core loss than conventional nanocrystalline soft magnetic alloys. The X-ray diffraction analysis for ribbon specimens produced experimentally by melt spinning from melts revealed that the samples were almost formed into an amorphous single phase. Then, the as-quenched samples were analyzed with differential scanning calorimeter (DSC) experimentally for exothermicmore » enthalpies of the primary and secondary crystallizations (ΔH{sub x1} and ΔH{sub x2}) and their crystallization temperatures (T{sub x1} and T{sub x2}), respectively. The ratio ΔH{sub x1}/ΔH{sub x2} measured by DSC experimentally tended to be extremely high for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy, and this tendency was reproduced by the analysis with commercial software, Thermo-Calc, with database for Fe-based alloys, TCFE7 for Gibbs free energy (G) assessments. The calculations exhibit that a volume fraction (V{sub f}) of α-Fe tends to increase from 0.56 for the Fe{sub 85}B{sub 15} to 0.75 for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy. The computational analysis of the alloys for G of α-Fe and amorphous phases (G{sub α-Fe} and G{sub amor}) shows that a relationship G{sub α-Fe} ∼ G{sub amor} holds for the Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, whereas G{sub α-Fe} < G{sub amor} for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy at T{sub x1} and that an extremely high V{sub f} = 0.75 was achieved for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy by including 2.8 at. % Si and 4.5 at. % P into α-Fe. These computational results indicate that the Fe{sub 85}Si

  17. Electron backscatter diffraction analysis of gold nanoparticles on Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−δ}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bochmann, A.; Teichert, S., E-mail: steffen.teichert@fh-jena.de; Katzer, C.

    2015-06-07

    It has been shown recently that the incorporation of gold nanoparticles into Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−δ} enhances the superconducting properties of this material in a significant way. Previous XRD and TEM investigations suggest different crystallographic relations of the gold nanoparticles with respect to the epitaxial Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−δ}. Here, detailed investigations of the crystal orientations for a large ensemble of gold nanoparticles with electron backscatter diffraction are reported. The average size of the gold nanoparticles is in the range of 60 nm–80 nm. We identified five different types of heteroepitaxial relationships between the gold nanoparticles and the superconductor film,more » resulting in complex pole figures. The observed different types of crystallographic orientations are discussed based on good lattice matching and the formation of low energy interfaces.« less

  18. Enhancement of magnetic ordering temperature in iron substituted ytterbium manganate (YbMn{sub 1-x}Fe{sub x}O{sub 3})

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Samal, S.L.; Magdaleno, T.; Ramanujachary, K.V.

    Oxides of the type YbMn{sub 1-x}Fe{sub x}O{sub 3}; x<=0.3 showing multiferroic behavior have been synthesized by the solid state route. These oxides crystallize in the hexagonal structure known for the parent YbMnO{sub 3} with the c/a ratio increasing with Fe substitution. The distortion of the MnO{sub 5} polyhedra (tbp) decreases and the Mn-O-Mn bonds in the a-b plane become shorter with Fe-substitution. Magnetic ordering is observed from the low temperature neutron diffraction study. The compounds were found to be antiferromagnetic and the ordering temperature T{sub N} increased from 82 K for pure YbMnO{sub 3} to 95 K for YbMn{sub 0.7}Fe{submore » 0.3}O{sub 3}. Variable temperature dielectric measurements (15-110 K) show an anomaly in the dielectric constant at temperatures close to the antiferromagnetic ordering temperature for all the compositions, showing a unique correlation between the magnetic and electric field. The increase in the ordering temperature in YbMn{sub 1-x}Fe{sub x}O{sub 3} is explained on the basis of increase in covalence of Mn/Fe-O-Mn/Fe bonds (shorter) with iron substitution. - Graphical abstract: Hexagonal manganites of the type YbMn{sub 1-x}Fe{sub x}O{sub 3}; x<=0.3 have been synthesized by the solid state route. The distortion of the MnO{sub 5} polyhedra (tbp) decreases and the Mn-O-Mn bonds in the a-b plane become shorter with Fe-substitution. The compounds were found to be antiferromagnetic and the ordering temperature T{sub N} increased from 82 K for pure YbMnO{sub 3} to 95 K for YbMn{sub 0.7}Fe{sub 0.3}O{sub 3}. The increase in the ordering temperature in YbMn{sub 1-x}Fe{sub x}O{sub 3} is explained on the basis of increase in covalence of Mn/Fe-O-Mn/Fe bonds with iron substitution. Low temperature dielectric measurements show a unique correlation between the magnetic and electric fields for all compositions.« less

  19. Simultaneous enhancement of photovoltage and charge transfer in Cu{sub 2}O-based photocathode using buffer and protective layers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Changli; Delaunay, Jean-Jacques, E-mail: jean@mech.t.u-tokyo.ac.jp; Hisatomi, Takashi

    2016-07-18

    Coating n-type buffer and protective layers on Cu{sub 2}O may be an effective means to improve the photoelectrochemical (PEC) water-splitting performance of Cu{sub 2}O-based photocathodes. In this letter, the functions of the buffer layer and protective layer on Cu{sub 2}O are examined. It is found that a Ga{sub 2}O{sub 3} buffer layer can form a buried junction with Cu{sub 2}O, which inhibits Cu{sub 2}O self-reduction as well as increases the photovoltage through a small conduction band offset between the two semiconductors. The introduction of a TiO{sub 2} thin protective layer not only improves the stability of the photocathode but alsomore » enhances the electron transfer from the photocathode surface into the electrolyte, thus resulting in an increase in photocurrent at positive potentials. These results show that the selection of overlayers with appropriate conduction band positions provides an effective strategy for obtaining a high photovoltage and high photocurrent in PEC systems.« less

  20. Study of thermal stability of Cu{sub 2}Se thermoelectric material

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bohra, Anil, E-mail: anilbohra786@gmail.com; Bhatt, Ranu; Bhattacharya, Shovit

    2016-05-23

    Sustainability of thermoelectric parameter in operating temperature range is a key consideration factor for fabricating thermoelectric generator or cooler. In present work, we have studied the stability of thermoelectric parameter of Cu{sub 2}Se within the temperature range of 50-800°C. Temperature dependent Seebeck coefficients and electrical resistivity measurement are performed under three continuous thermal cycles. X-ray diffraction pattern shows the presence of mixed cubic-monoclinic Cu{sub 2}Se phase in bare pellet which transforms to pure α-Cu{sub 2}Se phase with repeating thermal cycle. Significant enhancement in Seebeck coefficient and electrical resistivity is observed which may be attributed to (i) Se loss observed inmore » EDS and (ii) the phase transformation from mixed cubic-monoclinic structure to pure monoclinic α-Cu{sub 2}Se phase.« less

  1. Hydrothermal synthesis and structural characterization of an organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en){sub 2}(H{sub 2}O)]{sub 4}[Cu(en){sub 2}(H{sub 2}O){sub 2}][Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]·6H{sub 2}O

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Yingjie; College of Medicine, Henan University, Kaifeng, Henan 475004; Cao, Jing

    An organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en){sub 2}(H{sub 2}O)]{sub 4}[Cu(en){sub 2}(H{sub 2}O){sub 2}][Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]·6H{sub 2}O (1) has been synthesized by reaction of Sb{sub 2}O{sub 3}, Na{sub 2}WO{sub 4}·2H{sub 2}O, CuCl{sub 22H{sub 2}O with en (en=ethanediamine) under hydrothermal conditions and structurally characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry, IR spectrum and single-crystal X-ray diffraction. 1 displays a centric dimeric structure formed by two equivalent trivacant Keggin [α-SbW{sub 9}O{sub 33}]{sup 9−} subunits sandwiching a hexagonal (Cu{sub 2}Na{sub 4}) cluster. Moreover, those related hexagonal hexa-metal cluster sandwiched tungstoantimonates have been also summarized and compared. The variable-temperature magneticmore » measurements of 1 exhibit the weak ferromagnetic exchange interactions within the hexagonal (Cu{sub 2}Na{sub 4}) cluster mediated by the oxygen bridges. - Graphical abstract: An organic–inorganic hybrid (Cu{sub 2}Na{sub 4}) sandwiched tungstoantimonate [Cu(en){sub 2}(H{sub 2}O)]{sub 4}[Cu (en){sub 2}(H{sub 2}O){sub 2}][Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]·6H{sub 2}O was synthesized and magnetic properties was investigated. Display Omitted - Highlights: • Organic–inorganic hybrid sandwich-type tungstoantimonate. • (Cu{sub 2}Na{sub 4} sandwiched) tungstoantimonate [Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]{sup 10−}. • Ferromagnetic tungstoantimonate.« less

  2. Magnetic properties of Mn{sub 1.9}Cu{sub 0.1}Sb under high pressure

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Matsumoto, Yoshihiro; Hiroi, Masahiko; Mitsui, Yoshifuru

    2016-08-26

    Magnetization measurements were carried out for polycrystalline Mn{sub 1.9}Cu{sub 0.1}Sb in magnetic fields up to 5 T in the 10-300 K temperature range under high pressures up to 1 GPa in order to investigate the magnetic properties and the thermal transformation arrest (TTA) phenomenon under high pressures. The spin-reorientation temperature increased from 202 K for 0.1 MPa to 244 K for 1 GPa, whereas the transition temperature from the ferrimagnetic (FRI) to antiferromagnetic (AFM) state did not drastically change at ∼116 K. The magnetic relaxation behavior from the FRI to AFM state was observed in 10 < T ≤ 70more » K, which was analyzed using the Kohlrausch-Williams-Watts model. Obtained results indicated that the TTA phenomenon of Mn{sub 1.9}Cu{sub 0.1}Sb was suppressed by the application of high pressures.« less

  3. Investigation of site preference of Zn doped Ba{sub 3}Co{sub 2−x}Zn{sub x}Fe{sub 24}O{sub 41} by Mössbauer spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lim, Jung Tae; Kim, Chul Sung, E-mail: cskim@kookmin.ac.kr

    2014-05-07

    The polycrystalline Ba{sub 3}Co{sub 2−x}Zn{sub x}Fe{sub 24}O{sub 41} (x = 0.0, 0.5, 1.0) samples were prepared by using solid-state-reaction method. The crystal structures and magnetic properties of samples were investigated with x-ray diffractometer, vibrating sample magnetometer, and Mössbauer spectroscopy. The crystal structure of Ba{sub 3}Co{sub 2−x}Zn{sub x}Fe{sub 24}O{sub 41} (x = 0.0, 0.5, 1.0) samples was determined to be a hexagonal structure with P6{sub 3}/mmc space group at 295 K, and the saturation magnetization (M{sub s}) of Ba{sub 3}Co{sub 2−x}Zn{sub x}Fe{sub 24}O{sub 41} (x = 0.0, 0.5, 1.0) samples were found to be M{sub s} = 50.9, 53.1, 55.0 emu/g, respectively. From the temperature dependence of magnetizationmore » curves under 100 Oe between 4.2 and 740 K, we were able to observe the spin transition, and both spin transition temperature (T{sub s}) and Curie temperature (T{sub C}) decrease with increasing Zn concentration. Mössbauer spectra of all samples were obtained and analyzed at various temperatures ranging from 4.2 to 295 K. With ten-sextets for Fe sites corresponding to the Z-type hexagonal crystallographic sites, all spectra below T{sub C} were fitted by least-square method. In addition, from the site occupation numbers of Fe, calculated from the relative areas fitted to the Mössbauer spectra, we find that Zn ions preferentially occupy the tetrahedral sublattices of down sites.« less

  4. High temperature XRD of Cu{sub 2.1}Zn{sub 0.9}SnSe{sub 4}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chetty, Raju, E-mail: rcmallik@physics.iisc.ernet.in; Mallik, Ramesh Chandra, E-mail: rcmallik@physics.iisc.ernet.in

    2014-04-24

    Quaternary compound with chemical composition Cu{sub 2.1}Zn{sub 0.9}SnSe{sub 4} is prepared by solid state synthesis. High temperature XRD (X-Ray Diffraction) of this compound is used in studying the effect of temperature on lattice parameters and thermal expansion coefficients. Thermal expansion coefficient is one of the important quantities in evaluating the Grüneisen parameter which further useful in determining the lattice thermal conductivity of the material. The high temperature XRD of the material revealed that the lattice parameters as well as thermal expansion coefficients of the material increased with increase in temperature which confirms the presence of anharmonicty.

  5. First principles study of structural, optoelectronic and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) chalcogenides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hussain, Sajjad; Murtaza, G., E-mail: murtaza@icp.edu.pk; Haidar Khan, Shah

    2016-07-15

    Highlights: • Copper based quaternary chalcogenides are important for optoelectronic devices. • The WC-GGA shows that the materials are metallic in nature. • The EV-GGA predicts better band gaps compared to WC-GGA. • Absorption peaks are high in the visible and ultraviolet energy regions. • All the semiconductors have figure of merit above 0.70. - Abstract: In this work, structural, electronic, optical and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) have been studied through the full potential linearized augmented plane wave method. Calculated ground state lattice parameters are in good agreement with the experimental results. Latticemore » constant and bulk moduli vary inversely by replacing the anion X from S to Te in Cu{sub 2}CdSnX{sub 4}. The WC-GGA shows that the materials are metallic in nature. The EV-GGA predicts better band gaps compared to WC-GGA. The calculated bandgap values are 1.8, 1.06 and 0.8042 for Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4} respectively. Cd-d, Sn-s and X-p states contribute significantly in the density of states of the compounds. Absorption peaks and optical conductivity is high in the visible and ultraviolet energy regions. All the semiconductors have figure of merit above 0.70. The optical and thermoelectric properties clearly show that Cu{sub 2}CdSnX{sub 4} are potential candidates in the fields of solar cell and thermoelectric technology.« less

  6. Structural transformation in nano-structured CuAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} system

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mehta, D. K., E-mail: daxabjoshi@gmail.com; Chhantbar, M. C.; Joshi, H. H.

    Polycrystalline spinel ferrite system CuAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} (x=0.2, 0.6) was synthesized by solid-state reaction route. Nanoparticles of the samples have been prepared by using high energy ball milling technique with different milling durations and characterized by X-ray Diffraction and Tunneling Electron Microscope. It is observed that the structural transformation occurred from Cubic to tetragonal and particle size varied between 29 nm -14 nm with increase of milling time.

  7. Nanoscale Cu{sub 2}O films: Radio-frequency magnetron sputtering and structural and optical studies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kudryashov, D. A., E-mail: kudryashovda@apbau.ru; Gudovskikh, A. S.; Babichev, A. V.

    2017-01-15

    Nanoscale copper (I) oxide layers are formed by magnetron-assisted sputtering onto glassy and silicon substrates in an oxygen-free environment at room temperature, and the structural and optical properties of the layers are studied. It is shown that copper oxide formed on a silicon substrate exhibits a lower degree of disorder than that formed on a glassy substrate, which is supported by the observation of a higher intensity and a smaller half-width of reflections in the diffraction pattern. The highest intensity of reflections in the diffraction pattern is observed for Cu{sub 2}O films grown on silicon at a magnetron power ofmore » 150 W. The absorption and transmittance spectra of these Cu{sub 2}O films are in agreement with the well-known spectra of bulk crystals. In the Raman spectra of the films, phonons inherent in the crystal lattice of cubic Cu{sub 2}O crystals are identified.« less

  8. Complex magnetic properties of TbMn{sub 1-x}Fe{sub x}O{sub 3} (x = 0.1 and 0.2) nanoparticles prepared by the sol-gel method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Das, A.; Chatterjee, S.; Das, D., E-mail: ddas@alpha.iuc.res.in

    2016-05-23

    TbMn{sub 1-x}Fe{sub x}O{sub 3} nanoparticles (NPs) with x = 0, 0.1 and 0.2 have been prepared by adopting the chemical sol-gel method. Phase identification and particle size estimation are done by XRD analysis. M-H measurements at 5 K indicate a complete ferromagnetic behaviour in the Fe-doped samples with large coercivity whereas the pristine sample shows presence of both ferromagnetic and antiferromagnetic orders. ZFC and FC magnetization curves of all samples show signature of antiferromagnetic ordering of both terbium and manganese magnetic moments along with a systematic shift of ordering temperatures with Fe substitution. {sup 57}Fe Mössbauer spectroscopic measurements of the Fe-dopedmore » samples at room temperature confirm the paramagnetic behaviour and reduction of electric field gradient around Fe probe atoms with increase of Fe concentration.« less

  9. High temperature XRD of Cu{sub 2}GeSe{sub 3}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Premkumar, D. S.; Malar, P.; Chetty, Raju

    2015-06-24

    The Cu{sub 2}GeSe{sub 3} is prepared by solid state synthesis method. The high temperature XRD has been done at different temperature from 30 °C to 450 °C. The reitveld refinement confirms Cu{sub 2}GeSe{sub 3} phase and orthorhombic crystal structure. The lattice constants are increasing with increase in the temperature and their rate of increase with respect to temperature are used for finding the thermal expansion coefficient. The calculation of the linear and volume coefficient of thermal expansion is done from 30 °C to 400 °C. Decrease in the values of linear expansion coefficients with temperature are observed along a andmore » c axis. Since thermal expansion coefficient is the consequence of the distortion of atoms in the lattice; this can be further used to find the minimum lattice thermal conductivity at given temperature.« less

  10. Hole mobility enhancement of Cu-deficient Cu{sub 1.75}Zn(Sn{sub 1−x}Al{sub x})Se{sub 4} bulks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kuo, Dong-Hau, E-mail: dhkuo@mail.ntust.edu.tw; Tsega, Moges

    2013-10-15

    Cu-deficient Cu{sub 1.75}ZnSn{sub 1−x}Al{sub x}Se{sub 4} (x=0–0.6) bulks were prepared by a liquid-phase reactive sintering method at 600 {sup °}C with soluble sintering aids of Sb{sub 2}S{sub 3} and Te. Defect chemistry was studied by measuring electrical properties of Al-doped CZTSe as a function of dopant concentration. Al-CZTSe pellets at x=0.4 with electrical conductivity of 57.2 S cm{sup −1} showed the highest hole mobility of 32.5 cm{sup 2} V{sup −1} s{sup −1}. The high mobility is mainly contributed from the low atomic scattering factor of Al. The high carrier concentration and slightly changed lattice parameter of Al-CZTSe are related tomore » the types of its defects. - Graphical abstract: The controls in electrical properties and the changes in lattice parameters of Cu-deficient Cu{sub 2}ZnSnSe{sub 4} by doping Al{sup 3+} on the Sn{sup 4+} site. Display Omitted - Highlights: • Cu-deficient Cu{sub 1.75}Zn(Sn{sub 1−x}Al{sub x})Se{sub 4} was prepared by liquid-phase sintering at 600 °C. • Sintering aids of Sb{sub 2}S{sub 3} and Te were used for reactive sintering. • Al-CZTSe at x=0.4 showed the extremely high mobility of 32.5 cm{sup 2} V{sup −1} s{sup −1}. • Al-CZTSe reached large grains of 2−3 μm, while it was <1.0 μm for the undoped. • Electrical properties of Al-CZTSe pellets changed with the Al content.« less

  11. Effect of particle size and particle size distribution on physical characteristics, morphology and crystal strucutre of explosively compacted high-Tc superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kotsis, I.; Enisz, M.; Oravetz, D.

    1994-12-31

    A superconductor, of composition Y(Ba,K,Na){sub 2}Cu{sub 3}O{sub x}/F{sub y} and a composite, of composition Y(Ba,K,Na){sub 2}Cu{sub 3}O{sub x}/F{sub y}+Ag, with changing K, Na and F content, but a constant silver content (Ag=10 mass per cent) was prepared using a single heat treatment. The resulting material was ground in a corundum lined mill, separated to particle size fractions of 0-40 {mu}m, 0-63 {mu}m and 63-900 {mu}m and explosively compacted, using an explosive pressure of 10{sup 4} MPa and a subsequent heat treatment. Best results were obtained with the 63-900 {mu}m fraction of composition Y(Ba{sub 1,95}K{sub 0,01})Cu{sub 3}O{sub x}F{sub 0,05}/Ag: porosity <0.01more » cm{sup 3}/g and current density 2800 A/cm{sup 2} at 77 K.« less

  12. Processing method for superconducting ceramics

    DOEpatents

    Bloom, Ira D.; Poeppel, Roger B.; Flandermeyer, Brian K.

    1993-01-01

    A process for preparing a superconducting ceramic and particularly YBa.sub.2 Cu.sub.3 O.sub.7-.delta., where .delta. is in the order of about 0.1-0.4, is carried out using a polymeric binder which decomposes below its ignition point to reduce carbon residue between the grains of the sintered ceramic and a nonhydroxylic organic solvent to limit the problems with water or certain alcohols on the ceramic composition.

  13. Processing method for superconducting ceramics

    DOEpatents

    Bloom, Ira D.; Poeppel, Roger B.; Flandermeyer, Brian K.

    1993-02-02

    A process for preparing a superconducting ceramic and particularly YBa.sub.2 Cu.sub.3 O.sub.7-.delta., where .delta. is in the order of about 0.1-0.4, is carried out using a polymeric binder which decomposes below its ignition point to reduce carbon residue between the grains of the sintered ceramic and a nonhydroxylic organic solvent to limit the problems with water or certain alcohols on the ceramic composition.

  14. Synthesis and characterization of magnetic semiconducting Cu{sub 2}CoSnS{sub 4} nanoparticles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gupta, Aman; Mokurala, Krishnaiah; Kamble, Anvita

    2015-06-24

    Multifunctional wurtzite Cu{sub 2}CoSnS{sub 4} (CCoTS) nanoparticles were successfully synthesized by facile hot-injection method using elemental sulfur as sulfur source. As-synthesized CCoTS nanoparticles were characterized using X-ray diffraction (XRD) for phase identification. Morphology of as-prepared nanoparticles was examined using FEG-SEM and FEG-TEM. Resistivity of film was measured using four probe method and it’s value (0.8 Ωcm) lies in the range of semiconductors. Magnetization curve of Cu{sub 2}CoSnS{sub 4} nanoparticles (at room temperature) indicates weak ferromagnetic behavior.

  15. Enhancement of mechanical properties of 123 superconductors

    DOEpatents

    Balachandran, Uthamalingam

    1995-01-01

    A composition and method of preparing YBa.sub.2 Cu.sub.3 O.sub.7-x superconductor. Addition of tin oxide containing compounds to YBCO superconductors results in substantial improvement of fracture toughness and other mechanical properties without affect on T.sub.c. About 5-20% additions give rise to substantially improved mechanical properties.

  16. Morphology-controlled electrodeposition of Cu{sub 2}O microcrystalline particle films for application in photocatalysis under sunlight

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Guodong; Zhai, Wei; Sun, Fengqiang, E-mail: fqsun@scnu.edu.cn

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ► PEG was used to electro-deposit Cu{sub 2}O microcrystalline particle films. ► Morphologies of Cu{sub 2}O microcrystals could be controlled by the amount of PEG. ► The films showed regularly varied photocatalytic activities under sunlight. ► The films could be recycled and showed stable activities. -- Abstract: Morphology-controlled Cu{sub 2}O microcrystalline particle films had been successfully electrodeposited on tin-doped indium oxide glass substrates in CuSO{sub 4} solutions containing different amounts of polyethylene glycol (PEG) additives. With an increase of PEG, microcrystals gradually changed from irregular shapes to cubes, octahedrons, and spherical shapes. Sizes increasingly becamemore » smaller with an increase of PEG under the same deposition time. These films had been first used as recyclable photocatalysts and showed excellent and photocatalytic activities in photodegradation of methylene blue (MB) under sunlight. Activities were regularly varied relative to the morphologies of films controlled by the amount of PEG and could be further enhanced by adding a little amount of hydrogen peroxide in the MB solution. The method for controllable preparation of Cu{sub 2}O microcrystals with photocatalytic activities was simple and inexpensive. The as-prepared particle films could also be used in photodegradation of many other pollutants under sunlight.« less

  17. High pressure synthesis and magnetic studies of quasi one dimensional systems Sr{sub n-1} Cu{sub n+1} O{sub 2n} (n=3,5)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Azuma, M.; Hiroi, Z.; Takano, M.

    1994-12-31

    SrCu{sub 2}O{sub 3} and Sr{sub 2}Cu{sub 3}O{sub 5} containing two-leg and three-leg S=1/2 ladders made of antiferromagnetic Cu-O-Cu linear bonds, respectively, were synthesized at high pressure, and their crystallographic and magnetic properties were investigated. Both susceptibility and T{sub 1} data of NMR revealed the existence of a large spin gap only for SrCu{sub 2}O{sub 3}. Superconductivity, which had been predicted theoretically for carrier-doped SrCu{sub 2}O{sub 3} could not be realized although partial substitution of La{sup 3+} for Sr{sup 2+} seemed to be carried out successfully. Electron carriers injected seems to remain localized.

  18. Uniform Cu{sub 2}Cl(OH){sub 3} hierarchical microspheres: A novel adsorbent for methylene blue adsorptive removal from aqueous solution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wei, Wei; Gao, Pin; Xie, Jimin, E-mail: xiejm391@sohu.com

    2013-08-15

    Using the solution phase method without any surfactants or templates, the hierarchical of Cu{sub 2}Cl(OH){sub 3} microspheres were synthesized by freeze drying. The size and surface area of the microspheres are ca. 12 µm and 76.61 m{sup 2} g{sup −1}, respectively. A possible formation mechanism is presented based on the experimental results. Methylene blue was chosen to investigate the adsorption capacity of the as-prepared adsorbent. The effects of various experimental parameters, such as pH, initial dye concentration, and contact time were investigated. The results showed that the dye removal increased with the increasing in the initial concentration of the dyemore » and also increased in the amount of microspheres used and initial pH. Adsorption data fitted well with the Freundlich adsorption isotherm. The thermodynamic analysis presented the exothermic, spontaneous and more ordered arrangement process. The microspheres could be employed effective for removal of dyes from aqueous solution. - Graphical abstract: The single-crystalline hierarchical Cu{sub 2}Cl(OH){sub 3} spheres can be prepared for the first time by using a template-free process through freeze-drying. Meanwhile, the hierarchical spheres exhibited high adsorption capacity to methylene blue. Display Omitted - Highlights: • Cu{sub 2}Cl(OH){sub 3} microspheres were successfully synthesized through a freeze drying process. • A possible formation mechanism of hierarchical microspheres was presented. • The Cu{sub 2}Cl(OH){sub 3} microspheres have high methylene blue adsorption capacity. • Methylene blue adsorption is a spontaneous and exothermic process. • The adsorption mechanism of microspheres onto dye was proposed in detail.« less

  19. Enhancement of mechanical properties of 123 superconductors

    DOEpatents

    Balachandran, U.

    1995-04-25

    A composition and method are disclosed of preparing YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} superconductor. Addition of tin oxide containing compounds to YBCO superconductors results in substantial improvement of fracture toughness and other mechanical properties without affect on T{sub c}. About 5-20% additions give rise to substantially improved mechanical properties.

  20. Use of Kramers-Kronig relations to extract the conductivity of high-[ital T][sub [ital c

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Miller, D.; Richards, P.L.

    1993-05-01

    In principle the conductivity of the cuprate superconductors can be obtained from reflectivity measurements using the Kramers-Kronig-transform technique. However, at low temperatures and for frequencies below [similar to]300 cm[sup [minus]1] the reflectivities of materials such as YBa[sub 2]Cu[sub 3]O[sub 7] are close to unity. Uncertainty in the precise signal level corresponding to unity reflectivity and a lack of knowledge of the reflectivity below the lowest measured frequency cause this method to become unreliable. To address this problem we have used a bolometric technique and a resonant technique to obtain accurate submillimeter and microwave data for the residual losses in epitaxialmore » thin films of YBa[sub 2]Cu[sub 3]O[sub 7] at low temperatures. The Kramers-Kronig analysis of our data is in good agreement with results from fitting our data to simple weakly coupled grain and two-fluid models for the [ital a]-[ital b] plane conductivity. However, below 450 cm[sup [minus]1] it is in disagreement with some published results of other workers obtained from Kramers-Kronig analysis of reflectivity data. To understand this discrepancy we analyze how the conductivity determined by the Kramers-Kronig-transform technique depends on some commonly used low-frequency extrapolations of reflectivity data.« less

  1. Structure family and polymorphous phase transition in the compounds with soft sublattice: Cu{sub 2}Se as an example

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Qiu, Wujie; State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050; Lu, Ping

    Quite a few interesting but controversial phenomena, such as simple chemical composition but complex structures, well-defined high-temperature cubic structure but intriguing phase transition, coexist in Cu{sub 2}Se, originating from the relatively rigid Se framework and “soft” Cu sublattice. However, the electrical transport properties are almost uninfluenced by such complex substructures, which make Cu{sub 2}Se a promising high-performance thermoelectric compound with extremely low thermal conductivity and good power factor. Our work reveals that the crystal structure of Cu{sub 2}Se at the temperature below the phase-transition point (∼400 K) should have a group of candidate structures that all contain a Se-dominated face-centered-cubic-likemore » layered framework but nearly random site occupancy of atoms from the “soft” Cu sublattice. The energy differences among those structures are very low, implying the coexistence of various structures and thus an intrinsic structure complexity with a Se-based framework. Detailed analyses indicate that observed structures should be a random stacking of those representative structure units. The transition energy barriers between each two of those structures are estimated to be zero, leading to a polymorphous phase transition of Cu{sub 2}Se at increasing temperature. Those are all consistent with experimental observations.« less

  2. Synthesis and characterization of g-C{sub 3}N{sub 4}/Cu{sub 2}O composite catalyst with enhanced photocatalytic activity under visible light irradiation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Peng, Biyu; Zhang, Shengsen; Yang, Siyuan

    2014-08-15

    The prepared g-C{sub 3}N{sub 4}/Cu{sub 2}O composite exhibited the enhanced photocatalytic activity under visible-light irradiation due to the stronger ability in separation of electron–hole pairs, which was proven by the transient photocurrent measurement. - Highlights: • The coupled Cu{sub 2}O with g-C{sub 3}N{sub 4} of narrow-band-gap semiconductor has been designed. • g-C{sub 3}N{sub 4}/Cu{sub 2}O is prepared via an alcohol-aqueous based on chemical precipitation method. • g-C{sub 3}N{sub 4}/Cu{sub 2}O exhibits the enhanced photocatalytic activity under visible-light. • The enhanced photocatalytic activity is proven by the transient photocurrent test. • A mechanism for the visible-light-driven photocatalysis of g-C{sub 3}N{sub 4}/Cu{submore » 2}O is revealed. - Abstract: To overcome the drawback of low photocatalytic efficiency brought by electron–hole pairs recombination and narrow photo-response range, a novel g-C{sub 3}N{sub 4}/Cu{sub 2}O composite photocatalyst was designed and prepared successfully. Compared with bare Cu{sub 2}O and g-C{sub 3}N{sub 4}, the g-C{sub 3}N{sub 4}/Cu{sub 2}O composite exhibited significantly enhanced photocatalytic activity for acid orange-II (AO-II) degradation under visible light irradiation. Based on energy band positions, the mechanism of enhanced visible-light photocatalytic activity was proposed.« less

  3. Influence of nickel doping on oxygen-ionic conductivity of the n = 1 Ruddlesden-Popper Phases La{sub 1.85}Ca{sub 0.15}(Cu{sub 1−x}Ni{sub x})O{sub 4−δ} (δ = 0.0905)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Midouni, Adnene; Université de Tunis El Manar, Campus Universitaire Farhat Hached, B.P. No 94- Rommana, 1068 Tunis; Houchati, Mohamed Ikbal, E-mail: ikb_med@yahoo.fr

    2016-08-15

    The results of the synthesis and characterization of the optimally doped La{sub 1.85}Ca{sub 0.15}(Cu{sub 1−x}Ni{sub x})O{sub 4-δ} solid solution with x = 0, 0.1, 0.2 and 0.3 are reported. The versatility of these La{sub 1.85}Ca{sub 0.15}(Cu{sub 1−x}Ni{sub x})O{sub 4−δ} materials is explained on the basis of structural features and the ability to accommodate oxygen nonstoichiometry. According to powder X-ray and neutron diffraction data, La{sub 1.85}Ca{sub 0.15}(Cu{sub 1−x}Ni{sub x})O{sub 4−δ} adopts the tetragonal structure with oxygen vacancies occurring preferentially at the O{sub ap} sites within the {(La/Ca)O} layers of the perovskite blocks and the oxygen deviation from stoichiometry δ was foundmore » to be δ=0.0905(6). The bulk conductivity indicated an Arrhenius-type thermally activated process and oxygen vacancies are the possible ionic charge carriers at T=270 °C. An increase of the conductivity was detected when Ni was introduced. With nickel ratio variation, a strong correlation was observed between the Cu(Ni)-O{sub ap} apical bond length variation and the conductivity variation through controlling the O{sup 2−} ion migration. - Highlights: • We report the synthesis and structure of the La{sub 1.85}Ca{sub 0.15}(Cu{sub 1−x}Ni{sub x})O{sub 4−δ} (0≤x≤0.3; δ=0.0905) compounds. • La{sub 1.85}Ca{sub 0.15}(Cu{sub 1−x}Ni{sub x})O{sub 4−δ} (x=0.0, 0.2, 0.3) doped with Ni{sup 2+} have a higher conductivity than undoped La{sub 1.85}Ca{sub 0.15}CuO{sub 4−δ}. • At T=270 °C, sample x=0.3 has the highest conductivity (0.2915 sm{sup −1}).« less

  4. The n-type conduction of indium-doped Cu{sub 2}O thin films fabricated by direct current magnetron co-sputtering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cai, Xing-Min; Su, Xiao-Qiang; Ye, Fan, E-mail: yefan@szu.edu.cn

    2015-08-24

    Indium-doped Cu{sub 2}O thin films were fabricated on K9 glass substrates by direct current magnetron co-sputtering in an atmosphere of Ar and O{sub 2}. Metallic copper and indium disks were used as the targets. X-ray diffraction showed that the diffraction peaks could only be indexed to simple cubic Cu{sub 2}O, with no other phases detected. Indium atoms exist as In{sup 3+} in Cu{sub 2}O. Ultraviolet-visible spectroscopy showed that the transmittance of the samples was relatively high and that indium doping increased the optical band gaps. The Hall effect measurement showed that the samples were n-type semiconductors at room temperature. Themore » Seebeck effect test showed that the films were n-type semiconductors near or over room temperature (<400 K), changing to p-type at relatively high temperatures. The conduction by the samples in the temperature range of the n-type was due to thermal band conduction and the donor energy level was estimated to be 620.2–713.8 meV below the conduction band. The theoretical calculation showed that indium doping can raise the Fermi energy level of Cu{sub 2}O and, therefore, lead to n-type conduction.« less

  5. Applications of Cu{sub 2}O octahedral particles on ITO glass in photocatalytic degradation of dye pollutants under a halogen tungsten lamp

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhai, Wei; Sun, Fengqiang, E-mail: fqsun@scnu.edu.cn; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, South China Normal University

    2013-11-15

    Graphical abstract: - Highlights: • Photocatalytic activity of Cu{sub 2}O octahedral microcrystals on ITO glass was studied. • They showed high abilities in degradation of methylene blue in the presence of H{sub 2}O{sub 2}. • H{sub 2}O{sub 2} amount could affect the degradation efficiency. • Such particles could be easily recycled and still kept high activity. • Many dye pollutants and their mixtures could be efficiently degraded. - Abstract: Cu{sub 2}O octahedral microcrystals were prepared on the ITO glass by galvanostatic electrodeposition in CuSO{sub 4} solution with poly(vinylpryrrolidone) as the surfactant. By controlling the electrodeposition time, the microcrystals could bemore » randomly distributed on the ITO glass and separated from each other, resulting in as many as possible (1 1 1) crystalline planes were exposed. Such microcrystals immobilized on ITO glass were employed in photodegradation of dye pollutants in the presence of H{sub 2}O{sub 2} under a 150 W halogen tungsten lamp. The photodegradation of methylene blue was taken as an example to evaluate the photocatalytic activities of the octahedral Cu{sub 2}O microcrystals. Effects of electrodeposition time and H{sub 2}O{sub 2} amount on the degradation efficiency was discussed, giving the optimum conditions and the corresponding degradation mechanism. The catalyst showed high ability in degradation of methylene blue, methyl orange, rhodamine B, eosin B and their mixtures under identical conditions.« less

  6. Synthesis of hexagonal wurtzite Cu{sub 2}ZnSnS{sub 4} prisms by an ultrasound-assisted microwave solvothermal method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Long, Fei, E-mail: long.drf@gmail.com; Chi, Shangsen; Institute of Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083

    Wurtzite Cu{sub 2}ZnSnS{sub 4} (CZTS) hexagonal prisms were synthesized by a simple ultrasound-microwave solvothermal method. The product was characterized by XRD, FESEM, EDS, TEM, Raman and UV–vis spectrometer. The hexagonal prisms were 0.5–2 μm wide and 5–12 μm long. The PVP played an important role in the formation of the CZTS hexagonal prisms. In addition, the ultrasound-assisted microwave process was helpful for synthesis of wurtzite rather than kesterite phase CZTS. A nucleation–dissolution–recrystallization mechanism was also proposed to explain the growth of the CZTS hexagonal prisms. - Graphical abstract: Wurtzite Cu{sub 2}ZnSnS{sub 4} hexagonal prisms were synthesized by ultrasound-microwave solvothermal method.more » The ultrasound-assisted microwave process and PVP were useful to the growth of CZTS. A nucleation–dissolution–recrystallization growth mechanism was also proposed. - Highlights: • Wurtzite Cu{sub 2}ZnSnS{sub 4} was prepared by ultrasound-assisted microwave solvothermal method. • The wurtzite CZTS hexagonal prisms are demonstrated a band gap of 1.49 eV. • Synergistic effect of ultrasound and microwave is helpful to prepare Wurtzite CZTS. • PVP plays an important role in the formation of the CZTS hexagonal prisms. • Nucleation–dissolution–recrystallization growth mechanism of the CZTS was proposed.« less

  7. Tl{sub 2}Ba{sub 2}CuO{sub 6+{delta}} As a Model System for Fundamental Studies of High Temperature Superconductivity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ren, Z.F.; Wang, J.H.

    2000-05-22

    During the past year, the Principal Investigator (PI) (Z. F. Ren) moved from SUNY-Buffalo to Boston College as an Associate Professor in the Department of Physics to further enhance the future success of this program. Due to the moving and set up of the new laboratory at Boston College, the project was slowed down in some extent. Nevertheless, the PI and his associates have been able to accomplish the following: (1) The upper critical field study has been carried out on the early samples (made when the PI was still with SUNY-Buffalo). Those samples have either high {Tc} (>20K) withmore » single transition or low TC but with double transitions. Therefore, there has no definitive conclusion been drawn yet. (2) X-ray photoemission has been used to study the Tl-2201 thin films. (3) In addition, J. Y. Lao has synthesized the epitaxial thallium-containing 1212 films with critical current density up to 10{sup 6}/cm{sup 2} at 77K and zero magnetic field as part of his Ph.D thesis. The success of this research has enabled us to consider using this material as an alternative for Yba{sub 2}Cu{sub 3}O{sub 7} (YBCO) or TlBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub 9} (Tl-1223) for long length wire development for applications such as transmission cables, motors, generators, etc.« less

  8. Fluctuation conductivity effects on thermoelectric power of granular Bi/sub 1. 75/Pb/sub 0. 25/Ca/sub 2/Sr/sub 2/Cu/sub 3/O/sub 10/ superconductor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Laurent, C.; Patapis, S.K.; Luo, H.L.

    1989-04-10

    The authors report precise measurements of the thermoelectric power (TEP) of granular superconducting Bi/sub 1.75/Pb/sub 0.25/Ca/sub 2/Sr/sub 2/Cu/sub 3/O/sub 10/. The TEP is strictly linear at high temperature. Superconductivity fluctuations set in at about 140 K. From the temperature derivative of the excess TEP (with respect to a straight line at ''high temperature''), the critical behavior is obtained in the mean field regime, and is found identical to that of the temperature derivative of the excess electrical resistivity.

  9. Synthesis, structure and electrical properties of Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12} and the CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} pseudoternary phase diagram

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reeves-McLaren, Nik, E-mail: n.reeves@sheffield.ac.uk; Ferrarelli, Matthew C.; Tung, Yuan-Wei

    2011-07-15

    Subsolidus phase relations in the CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} system were determined at 935 deg. C. The phase diagram contains one new phase, Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12} (CTNO) and one rutile-structured solid solution series, Ti{sub 1-3x}Cu{sub x}Nb{sub 2x}O{sub 2}: 02+} but with A site vacancies and a disordered mixture of Cu{sup +}, Ti{sup 4+} and Nb{sup 5+} on the octahedral sites. It is a modest semiconductor with relative permittivity {approx}63 and displays non-Arrhenius conductivity behavior that ismore » essentially temperature-independent at the lowest temperatures. - Graphical abstract: The CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} phase diagram was determined at 935 deg. C and contains one new phase, Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12}, pictured, a modest semiconductor with {epsilon}{sub r}{approx}63, and one rutile-structured solid solution series, Ti{sub 1-3x}Cu{sub x}Nb{sub 2x}O{sub 2}. Highlights: > Subsolidus phase relations in the CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} system were determined at 935 deg. C. > A new phase, Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12} (CTNO), was found with a CaCu{sub 3}Ti{sub 4}O{sub 12}-like crystal structure. > We discovered one rutile-structured solid solution series, Ti{sub 1-3x}Cu{sub x}Nb{sub 2x}O{sub 2}: 0 CTNO has square planar Cu{sup 2+}, A site vacancies and Cu{sup +}, Ti{sup 4+} and Nb{sup 5+} disordered on octahedral sites. > CTNO is a modest semiconductor with relative permittivity {approx}63.« less

  10. Electronic structure of antifluorite Cu{sub 2}X (X = S, Se, Te) within the modified Becke-Johnson potential plus an on-site Coulomb U

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Yubo; Wang, Youwei; Xi, Lili

    The traditional photon absorbers Cu{sub 2−x}X (X = S, Se, and Te) have regained significant research attention in the search of earth-abundant photovoltaic materials. These moderate- and narrow-gap materials have also been shown to exhibit excellent thermoelectric properties recently. However, semimetallic band structures with inverted band orderings are predicted for antifluorite structure Cu{sub 2}X using density functional theory with the local density approximation or the generalized gradient approximation. We find that semiconducting band structures and normal band orderings can be obtained using the modified Becke-Johnson potential plus an on-site Coulomb U (the mBJ+U approach), which is consistent with our earliermore » finding for diamond-like Cu-based multinary semiconductors [Y. Zhang, J. Zhang, W. Gao, T. A. Abtew, Y. Wang, P. Zhang, and W. Zhang, J. Chem. Phys. 139, 184706 (2013)]. The trend of the chemical bonding of Cu{sub 2}X is analyzed, which shows that the positions of the valence band maximum and conduction band minimum are strongly affected by the inter-site pd and intra-site sp hybridizations, respectively. The calculated gaps of Cu{sub 2}S and Cu{sub 2}Se still seem to be underestimated compared with experimental results. We also discuss the effects of different structural phases and Cu disordering and deficiency on the bandgaps of these materials.« less

  11. Synthesis of Bi{sub 1.8}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} superconductor

    DOEpatents

    Smith, M.G.

    1996-10-29

    Two-powder processes for the synthesis of superconducting (Bi, Pb)-2223/Ag-clad wires by the oxide-powder-in-the-robe are provided. The first precursor powder, of nominal stoichiometry CaCuO{sub x}, is a solution-synthesized mixture of Ca{sub 0.45}Cu{sub 0.55}O{sub 2} and CaO. Using these oxide precursor mixtures, superconducting tapes with well-aligned grains and reproducible critical current densities J{sub c} in the range of 20,000 to 26,000 A/cm{sup 2} at 75 K in self-field after annealing less than 200 hours were obtained. 2 figs.

  12. Cooling rate dependence of simulated Cu{sub 64.5}Zr{sub 35.5} metallic glass structure

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ryltsev, R. E.; Ural Federal University, 19 Mira Str., 620002 Ekaterinburg; L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, 2 Kosygina Str., 119334 Moscow

    Using molecular dynamics simulations with embedded atom model potential, we study structural evolution of Cu{sub 64.5}Zr{sub 35.5} alloy during the cooling in a wide range of cooling rates γ ∈ (1.5 ⋅ 10{sup 9}, 10{sup 13}) K/s. Investigating short- and medium-range orders, we show that the structure of Cu{sub 64.5}Zr{sub 35.5} metallic glass essentially depends on cooling rate. In particular, a decrease of the cooling rate leads to an increase of abundances of both the icosahedral-like clusters and Frank-Kasper Z16 polyhedra. The amounts of these clusters in the glassy state drastically increase at the γ{sub min} = 1.5 ⋅ 10{supmore » 9} K/s. Analysing the structure of the glass at γ{sub min}, we observe the formation of nano-sized crystalline grain of Cu{sub 2}Zr intermetallic compound with the structure of Cu{sub 2}Mg Laves phase. The structure of this compound is isomorphous with that for Cu{sub 5}Zr intermetallic compound. Both crystal lattices consist of two types of clusters: Cu-centered 13-atom icosahedral-like cluster and Zr-centered 17-atom Frank-Kasper polyhedron Z16. That suggests the same structural motifs for the metallic glass and intermetallic compounds of Cu–Zr system and explains the drastic increase of the abundances of these clusters observed at γ{sub min}.« less

  13. Grain size tuning of nanostructured Cu{sub 2}O films through vapour phase supersaturation control and their characterization for practical applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Anu, A.; Abdul Khadar, M., E-mail: mabdulkhadar@rediffmail.com

    2015-09-15

    A strategy for creating nanostructured films is the alignment of nanoparticles into ordered superstructures as living organisms synthesize biomaterials with superior physical properties using nanoparticle building blocks. We synthesized nanostructured films of Cu{sub 2}O of variable grain size by establishing the condition of supersaturation for creation of nanoparticles of copper which deposited as nanograined films and which was then oxidized. This technique has the advantage of being compatible with conventional vacuum processes for electronic device fabrication. The Cu{sub 2}O film samples consisted of a secondary structure of spherical particles of almost uniform size, each particle being an agglomerate of primarymore » nanocrystals. Fractal analysis of the AFM images of the samples is carried out for studying the aggregation mechanism. Grain size tuning of the nanostructured Cu{sub 2}O films has been studied using XRD, and micro-Raman and photoluminescence spectroscopy.« less

  14. A facile arrested precipitation method for synthesis of pure wurtzite Cu{sub 2}ZnSnS{sub 4} nanocrystals using thiourea as a sulfur source

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Chunya; Key Laboratory of Analytical Chemistry of the State Ethnic Affairs Commission, College of Chemistry and Materials Science, South-Central University for Nationalities, Wuhan 430074; Ha, Enna

    2012-11-15

    Graphical abstract: High-resolution TEM image of wurtzite Cu{sub 2}ZnSnS{sub 4} nanocrystals. Highlights: ► Wurtzite Cu{sub 2}ZnSnS{sub 4} nanocrystals were synthesized by arrested precipitation method. ► XRD, EDX, TEM demonstrate that the CZTS nanocrystals are purely wurtzite structure. ► The average diameter of the bulk CZTS products is found to be 10 ± 1.1 nm. ► The estimated direct bandgap energy is 1.56 eV for wurtzite CZTS nanocrystals. ► The electrical resistivity of the wurtzite CZTS nanocrystals is low. -- Abstract: A facile route for the synthesis of wurtzite Cu{sub 2}ZnSnS{sub 4} (CZTS) nanocrystals was developed by an arrested precipitation methodmore » at 240 °C under simple reaction conditions with diethanolamine as the solvent and thiourea as sulfur source. The structure and morphology of the CZTS nanocrystals were characterized by X-ray diffraction and transmission electron microscopy. Control experiments demonstrated that CZTS nanocrystals which are purely wurtzite structure are readily obtained. The average diameter of the bulk CZTS products is found to be 10 ± 1.1 nm. The estimated direct bandgap energy is 1.56 eV, which indicates that the CZTS nanocrystals produced by this method possess promising applications in photovoltaic devices.« less

  15. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goretta, K.C.; Brandel, B.P.; Lanagan, M.T.

    Nanophase TiO{sub 2} and Al{sub 2}O{sub 3} powders were synthesized by a vapor-phase process and mechanically mixed with stoichiometric YBa{sub 2}Cu{sub 3}O{sub x} and TlBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} powders in 20 mole % concentrations. Pellets produced from powders with and without nanophase oxides were heated in air or O{sub 2} above the peritectic melt temperature and slow-cooled. At 4.2 K, the intragranular critical current density (J{sub c}) increased dramatically with the oxide additions. At 35--50 K, effects of the oxide additions were positive, but less pronounced. At 77 K, the additions decreased J{sub c}, probably because of inducing amore » depresion of the transition temperature.« less

  16. Chemical bath deposition of Cu{sub 3}BiS{sub 3} thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Deshmukh, S.G., E-mail: deshmukhpradyumn@gmail.com; Vipul, Kheraj, E-mail: vipulkheraj@gmail.com; Panchal, A.K.

    2016-05-06

    First time, copper bismuth sulfide (Cu{sub 3}BiS{sub 3}) thin films were synthesized on the glass substrate using simple, low-cost chemical bath deposition (CBD) technique. The synthesized parameters such as temperature of bath, pH and concentration of precursors were optimized for the deposition of uniform, well adherent Cu{sub 3}BiS{sub 3} thin films. The optical, surface morphology and structural properties of the Cu{sub 3}BiS{sub 3} thin films were studied using UV-VIS-NIR spectra, scanning electron microscopy (SEM) and X-ray diffraction (XRD). The as- synthesized Cu{sub 3}BiS{sub 3} film exhibits a direct band gap 1.56 to 1.58 eV having absorption coefficient of the ordermore » of 10{sup 5} cm{sup −1}. The XRD declares the amorphous nature of the films. SEM images shows films were composed of close-packed fine spherical nanoparticles of 70-80 nm in diameter. The chemical composition of the film was almost stoichiometric. The optical study indicates that the Cu{sub 3}BiS{sub 3} films can be applied as an absorber layer for thin film solar cells.« less

  17. Superconducting and magnetic properties of RBa/sub 2/Cu/sub 3/O/sub 7-//sub x/ compounds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shaheen, S.A.; Jisrawi, N.; Lee, Y.H.

    Superconducting properties of RBa/sub 2/Cu/sub 3/O/sub 7-//sub x/ compounds (R = Y, La, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, and Yb) have been studied by dc electrical resistivity and ac magnetic susceptibility techniques. Except for R = La, which is superconducting below 50 K, RBa/sub 2/Cu/sub 3/O/sub 7-//sub x/ compounds exhibit sharp resistive and inductive transitions in the 90-K range. The nearly constant value of T/sub c/ for magnetic R ions indicates a very weak interaction between R ions, as anticipated from the known crystal structure of these materials. The effects of annealing in oxygen and argon, andmore » air quenching, on the superconducting properties are also discussed.« less

  18. Synthesis of Bi.sub.1.8 Pb.sub.0.4 Sr.sub.2 Ca.sub.2 Cu.sub.3 O.sub.x superconductor

    DOEpatents

    Smith, Michael G.

    1996-01-01

    Two-powder processes for the synthesis of superconducting (Bi, Pb)-2223/Ag-clad wires by the oxide-powder-in-the-robe are provided. The first precursor powder, of nominal stoichiometry CaCuO.sub.x, is a solution-synthesized mixture of Ca.sub.0.45 Cu.sub.0.55 O.sub.2 and CaO. Using these oxide precursor mixtures, superconducting tapes with well-aligned grains and reproducible critical current densities J.sub.c in the range of 20,000 to 26,000 A/cm.sup.2 at 75 K in self-field after annealing less than 200 hours were obtained.

  19. Surfactant-assisted synthesis and electrochemical performances of Cu{sub 3}P dendrites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Shuling, E-mail: liusl8888@yahoo.com.cn; Li, Shu; Wang, Jingping

    2012-11-15

    Highlights: ► Dendrite-like Cu{sub 3}P microstructures have been synthesized by a low-temperature method. ► The surfactant SDS was used as template. ► The as-obtained Cu{sub 3}P dendrites exhibit a high first discharge capacity. -- Abstract: Well-defined Cu{sub 3}P hierarchical dendrites were successfully synthesized by a facile and effective surfactant-assisted hydrothermal approach. X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) indicated that the as-obtained Cu{sub 3}P had a well-crystallized hexagonal phase and consisted of a wealth of Cu{sub 3}P dendritic microstructures. A surfactant-assisted growth accompanied by the Ostwald ripening process was proposed for the formation. As anode materials for lithiummore » ion batteries, the electrochemical property of the Cu{sub 3}P dendrites was also examined. The results showed that the initial discharge capacity of the Cu{sub 3}P dendrites exceeded 1300 mA h/g and it still kept at 291 mA h/g after 20 cycles, which might be related to the size of Cu{sub 3}P particles and their assembly structure.« less

  20. Enhancement of spin-Seebeck effect by inserting ultra-thin Fe{sub 70}Cu{sub 30} interlayer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kikuchi, D., E-mail: d.kikuchi@imr.tohoku.ac.jp; WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577; Spin Quantum Rectification Project, ERATO, Japan Science and Technology Agency, Sendai 980-8577

    2015-02-23

    We report the longitudinal spin-Seebeck effects (LSSEs) for Pt/Fe{sub 70}Cu{sub 30}/BiY{sub 2}Fe{sub 5}O{sub 12} (BiYIG) and Pt/BiYIG devices. The LSSE voltage was found to be enhanced by inserting an ultra-thin Fe{sub 70}Cu{sub 30} interlayer. This enhancement decays sharply with increasing the Fe{sub 70}Cu{sub 30} thickness, suggesting that it is not due to bulk phenomena, such as a superposition of conventional thermoelectric effects, but due to interface effects related to the Fe{sub 70}Cu{sub 30} interlayer. Combined with control experiments using Pt/Fe{sub 70}Cu{sub 30} devices, we conclude that the enhancement of the LSSE voltage in the Pt/Fe{sub 70}Cu{sub 30}/BiYIG devices is attributedmore » to the improvement of the spin-mixing conductance at the Pt/BiYIG interfaces.« less

  1. Cu{sub 2}ZnSnS{sub 4} nanoflakes prepared by one step microwave irradiation technique: Effect of Cu concentration

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kandare, S. P.; Dhole, S. D.; Bhoraskar, V. N.

    Cu{sub 2}ZnSnS{sub 4} (CZTS) nanoflakes were synthesized in one step by microwave irradiation method. Controlling the secondary phases in Copper Zinc Tin Sulfide (CZTS) material is critical, but it is necessary to control secondary phases in order to achieve the high efficiency solar cells made from CZTS. In the recent years, CZTS has shown its growing importance in thin film photovoltaic application because of its favorable optical and electrical properties. In this work, a systematic study has been carried out by properly controlling the copper concentration to get the pure phase of CZTS. X-ray diffraction shows the CZTS kesterite structure.more » Optical band gap estimated from UV-Visible spectroscopy was around 1.37eV. Systematic Raman study reveals the suppression of Cu{sub 2}S peak with variation in copper concentration which otherwise was not clear from XRD and UV-visible data.« less

  2. Optical and electrical stability of viral-templated copper sulfide (Cu{sub 1.8}S) films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shahriar Zaman, Mohammed; Bernard Grajeda, Gabriel; Haberer, Elaine D., E-mail: haberer@ucr.edu

    The optical and electrical stabilities of viral-templated non-stoichiometric copper sulfide, digenite (Cu{sub 1.8}S) films were investigated. The films were composed of large agglomerates of randomly aligned Cu{sub 1.8}S-coated M13 filamentous phage. Free carrier optical absorption associated with localized surface plasmon resonance (LSPR) was observed in the near infrared spectral region, and the films were electrically active, displaying a linear current-voltage relationship. Under ambient conditions, the magnitude of the LSPR absorption increased, following a power law relationship with time, and the electrical resistance of viral-templated films decreased significantly. In contrast, the resistance of films stored under low oxygen, low humidity conditionsmore » experienced a smaller reduction in electrical resistance. Changes in optical and electrical film properties under ambient conditions were associated with an increase in free carrier concentration within the copper chalcogenide material due to oxygen exposure. X-ray photoelectron spectroscopy was used to relate this increase in free carrier concentration to compositional changes on the viral-templated material surface.« less

  3. First principles absorption spectra of Cu{sub n} (n = 2 - 20) clusters.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baishya, K.; Idrobo, J. C.; Ogut, S.

    2011-06-17

    Optical absorption spectra for the computed ground state structures of copper clusters (Cu{sub n}, n = 2-20) are investigated from first principles using time-dependent density functional theory in the adiabatic local density approximation (TDLDA). The results are compared with available experimental data, existing calculations, and with results from our previous computations on silver and gold clusters. The main effects of d electrons on the absorption spectra, quenching the oscillator strengths, and getting directly involved in low-energy excitations increase in going from Ag{sub n} to Au{sub n} to Cu{sub n} due to the increase in the hybridization of the occupied, yetmore » shallow, d orbitals and the partially occupied s orbitals. We predict that while Cu nanoparticles of spherical or moderately ellipsoidal shape do not exhibit Mie (surface plasmon) resonances, unlike the case for Ag and Au, extremely prolate or oblate Cu nanoparticles with eccentricities near unity should give rise to Mie resonances in the lower end of the visible range and in the infrared. This tunable resonance predicted by the classical Mie-Gans theory is reproduced with remarkable accuracy by our TDLDA computations on hypothetical Cu clusters in the form of zigzag chains with as few as 6 to 20 atoms.« less

  4. Cationic distribution assisted tuning of magnetic properties of Li{sub 0.5-x/2}Zn{sub x}Fe{sub 2.5-x/2}O{sub 4}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Panchal, S.; Raghuvanshi, S.; Gehlot, K.

    2016-05-15

    Zn addition induced modification of cationic distribution for tuning magnetic properties of Li{sub 0.5-x/2}Zn{sub x}Fe{sub 2.5-x/2}O{sub 4} (x = 0, 0.1, 0.25, 0.3, 0.5, 0.7, 0.9, 1.0) powders is studied by x-ray diffraction (XRD) and magnetic measurements. XRD shows the formation of cubic spinel structure, with Scherrer’s grain diameter ranging between 26.7 to 37.8 nm. With Zn addition, oxygen anions are displaced in such a way that the A-B interaction weakens, whereas A-A and B-B interaction strengthens; furthermore it also pushes Fe{sup 3+} and Li{sup 1+} ions to B site, leading to changes in magnetic properties. Highest saturation magnetization (M{submore » s}) of 64.6 A m{sup 2} / kg was obtained for sample with x = 0.25 and lowest coercivity (H{sub c}) of 4949.9 A/m was obtained for the sample with x = 0.7. Calculated values of experimental magnetic moment ‘n{sub B}’ and Neel magnetic moment ‘n{sub N}’, display similar trend as that of M{sub s}. Present results very clearly show a strong correlation between Zn-addition induced changes in cation distribution and magnetic properties, which can be utilized effectively for tuning magnetic properties.« less

  5. Synthesis, characterization and solid state electrical properties of 1-D coordination polymer of the type [Cu{sub x}Ni{sub 1-x}(dadb){center_dot}yH{sub 2}O]{sub n}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Prasad, R.L., E-mail: rlpjc@yahoo.co.in; Kushwaha, A.; Shrivastava, O.N.

    2012-12-15

    New heterobimetallic complexes [Cu{sub x}Ni{sub 1-x}(dadb){center_dot}yH{sub 2}O]{sub n} {l_brace}where dadb=2,5-Diamino-3,6-dichloro-1,4-benzoquinone (1); x=1 (2), 0.5 (4), 0.25 (5), 0.125 (6), 0.0625 (7) and 0 (3); y=2; n=degree of polymerization{r_brace} were synthesized and characterized. Heterobimetallic complexes show normal magnetic moments, whereas, monometallic complexes exhibit magnetic moments less than the value due to spin only. Thermo-gravimetric analysis shows that degradation of the ligand dadb moiety is being controlled by the electronic environment of the Cu(II) ions in preference over Ni(II) in heterobimetallic complexes. Existence of the mixed valency/non-integral oxidation states of copper and nickel metal ions in the complex 4 has been attributedmore » from magnetic moment and ESR spectral results. Solid state dc electrical conductivity of all the complexes was investigated. Monometallic complexes were found to be semiconductors, whereas heterobimetallic coordination polymer 4 was found to exhibit metallic behaviour. Existence of mixed valency/ non-integral oxidation state of metal ions seems to be responsible for the metallic behaviour. - Graphical abstract: Contrast to the semiconductor monometallic complexes 2 and 3, the heterobimetallic complex 4 exhibits metallic behaviour attributed to the mixed valency/non-integral oxidation state of the metal ions concluded from magnetic and ESR spectral studies. Highlights: Black-Right-Pointing-Pointer 1-D coordination compounds of the type Cu{sub x}Ni{sub 1-x}(dadb){center_dot}yH{sub 2}O were synthesized and characterized. Black-Right-Pointing-Pointer Thermal degradation of the complexes provides an indication of long range electronic communication between metal to ligand. Black-Right-Pointing-Pointer On inclusion of Ni(II) into 1-D coordination polymer of Cu(II). (a) Cu(II) and Ni(II) ions exhibit non-integral oxidation state. (b) resulting heterobimetallic complex 4 exhibits metallic behaviour at

  6. Electron-positron momentum distribution measurements of high-T(sub c) superconductors and related systems

    NASA Astrophysics Data System (ADS)

    Wachs, A. L.; Turchi, P. E. A.; Howell, R. H.; Jean, Y. C.; Fluss, M. J.; West, R. N.; Kaiser, J. H.; Rayner, S.; Hahgighi, H.; Merkle, K. L.

    1989-06-01

    We discuss our measurements of the 2D-angular correlation of positron annihilation radiation (ACAR) in La(sub 2)CuO(sub 4), YBa(sub 2)Cu(sub 3)O(sub 7) (YBCO), and NiO. The measurements for NiO are the first such 2D-ACAR measurements; the YBCO results are of a higher statistical quality than previously reported in the literature. The data are compared with complementary theoretical calculations and with each other. We discuss the implication of our analysis for ACAR studies of similar and related systems.

  7. Effect of Zn doping on structural and dielectric properties of tetragonal Ni{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 0.5)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lone, S. A.; Dar, M. A.; Kumar, A.

    2015-06-24

    A series of Ni-Zn ferrite with compositional formula Ni{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 0.5) were prepared by solid-state reaction route. The influence of the Zn content on the structural and dielectric properties of NiFe{sub 2}O{sub 4} was investigated using X-ray powder diffraction (XRD), Raman spectroscopy and dielectric measurements. XRD analysis reveals that the samples are polycrystalline single-phase cubic spinel in structure excluding the presence of any secondary phase corresponding to any structure. Slight variation in the lattice parameter of Zn doped NiFe{sub 2}O{sub 4} has been observed due to difference in ionic radii of cations. Ramanmore » analysis reveals the doublet like nature of A{sub 1g} mode for all synthesized samples. Small shift in Raman modes and increment in the line width has been observed with the doping ions. Furthermore, room temperature dielectric properties of all the prepared samples have been reported. It is observed that for each sample the dielectric constant decreases with an increase of frequency and becomes constant at higher frequencies.« less

  8. Line group techniques in description of the structural phase transitions in some superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Meszaros, C.; Bankuti, J.; Balint, A.

    1994-12-31

    The main features of the theory of line groups, and their irreducible representations are briefly discussed, as well as the most important applications of them. A new approach in the general symmetry analysis of the modulated systems is presented. It is shown, that the line group formalism could be a very effective tool in the examination of the structural phase transitions in High Temperature Superconductors. As an example, the material YBa{sub 2}Cu{sub 3}O{sub 7-x} is discussed briefly.

  9. Giant increase of critical current density and vortex pinning in Mn doped K{sub x}Fe{sub 2−y}Se{sub 2} single crystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Mingtao; Zhang, Jincang, E-mail: jczhang@staff.shu.edu.cn; Materials Genome Institute, Shanghai University, Shanghai 200444

    2014-11-10

    We report a comparative study of the critical current density (J{sub c}) and vortex pinning among pure and Mn doped K{sub x}Fe{sub 2−y}Se{sub 2} single crystals. It is found that the J{sub c} values can be greatly improved by Mn doping and post-quenching treatment when comparing to pristine pure sample. In contrast to pure samples, an anomalous second magnetization peak (SMP) effect is observed in both 1% and 2% Mn doped samples at T = 3 K for H∥ab but not for H∥c. Referring to Dew-Hughes and Kramer's model, we performed scaling analyses of the vortex pinning force density vs magnetic field inmore » 1% Mn doped and quenched pristine crystals. The results show that the normal point defects are the dominant pinning sources, which probably originate from the variations of intercalated K atoms. We propose that the large nonsuperconducting K-Mn-Se inclusions may contribute to the partial normal surface pinning and give rise to the anomalous SMP effect for H∥ab in Mn doped crystals. These results may facilitate further understanding of the superconductivity and vortex pinning in intercalated iron-selenides superconductors.« less

  10. Sputtered superconducting films of Bi sub 2 Sr sub 2 CaCu sub 2 O sub x made by low-temperature, in-situ growth

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kampwirth, R.T.; Gray, K.E.; Andersen, P.H.

    1989-01-01

    Composite target rf magnetron sputtering has previously been successfully employed to make superconducting films of YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} in-situ at substrate temperatures T{sub s} < 700{degree}C. We report the successful growth of superconducting films of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} on single crystal MgO substrates by a low-temperature process using dc magnetron sputtering from a Bi-enriched composite target. Using a substrate temperature T{sub s} {approx} 645{degree}C, metallic films with a superconducting onset of 90--100K and an extrapolated T{sub c0} = 56K have been obtained. X-ray diffraction shows the films to be c-axis oriented. Electron microscopy reveals that the filmsmore » are not significantly smoother than films which were post-annealed at 865{degree}C, and that some segregation into nonsuperconducting phases had occurred. The exact mechanism by which crystallization and superconductivity occurs at such low temperatures is not yet known, but it can be speculated that the surface atoms are less constrained and thus have a smaller energy barrier to overcome in forming a crystal structure. 9 refs., 4 figs., 1 tab.« less

  11. Pb solubility of the high-temperature superconducting phase Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10+d}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kaesche, S.; Majewski, P.; Aldinger, F.

    1994-12-31

    For the nominal composition of Bi{sub 2.27x}Pb{sub x}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10+d} the lead content was varied from x=0.05 to 0.45. The compositions were examined between 830{degrees}C and 890{degrees}C which is supposed to be the temperature range over which the so-called 2223 phase (Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10+d}) is stable. Only compositions between x=0.18 to 0.36 could be synthesized in a single phase state. For x>0.36 a lead containing phase with a stoichiometry of Pb{sub 4}(Sr,Ca){sub 5}CuO{sub d} is formed, for x<0.18 mainly Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+d} and cuprates are the equilibrium phases. The temperature range for themore » 2223 phase was found to be 830{degrees}C to 890{degrees}C but the 2223 phase has extremely varying cation ratios over this temperature range. Former single phase 2223 samples turn to multi phase samples when annealed at slightly higher or lower temperatures. A decrease in the Pb solubility with increasing temperature was found for the 2223 phase.« less

  12. Chemical stabilization and high pressure synthesis of Ba-free Hg-based superconductors, (Hg,M)Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub y}(N=1{approximately}3)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kishio, K.; Shimoyama, J.; Hahakura, S.

    1994-12-31

    A homologous series of new Hg-based HTSC compounds, (Hg,M)Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub y} with n=1 to 3, have been synthesized. The stabilization of the pure phases have been accomplished by chemical doping of third elements such as M=Cr, Mo and Re. While the Hg1201(n=1) phase was readily obtained in this way, it was necessary to simultaneously dope Y into the Ca site to stabilize the Hg1212(n=2) phase. On the other hand, single-phase Y-free Hg1212(n=2) and Hg1223(n=3) samples were synthesized only under a high pressure of 6 GPa. In sharp contrast to the Ba-containing compounds, all the samples prepared in themore » present study have been quite stable during the synthesis and no deterioration in air has been observed after the preparation.« less

  13. Donor-acceptor pair recombination luminescence from monoclinic Cu{sub 2}SnS{sub 3} thin film

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Aihara, Naoya; Tanaka, Kunihiko, E-mail: tanaka@vos.nagaokaut.ac.jp; Uchiki, Hisao

    2015-07-20

    The defect levels in Cu{sub 2}SnS{sub 3} (CTS) were investigated using photoluminescence (PL) spectroscopy. A CTS thin film was prepared on a soda-lime glass/molybdenum substrate by thermal co-evaporation and sulfurization. The crystal structure was determined to be monoclinic, and the compositional ratios of Cu/Sn and S/Metal were determined to be 1.8 and 1.2, respectively. The photon energy of the PL spectra observed from the CTS thin film was lower than that previously reported. All fitted PL peaks were associated with defect related luminescence. The PL peaks observed at 0.843 and 0.867 eV were assigned to donor-acceptor pair recombination luminescence, the thermalmore » activation energies of which were determined to be 22.9 and 24.8 meV, respectively.« less

  14. Cooperative oscillations of electron-copper-oxygen interaction: Possible relevance for superconduction theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tributsch, H.

    1989-01-01

    Interfaces of copper containing crystallized materials (Cu/sub 5/FeS/sub 4/, CuFeS/sub 2/, Cu/sub 2/S, CuS, CuInS/sub 2/, and CuInSe/sub 2/), exposed to oxidation by H/sub 2/O/sub 2/, undergo sustained electrochemical oscillations. They involve electronic (Cu/sup +/), (Cu/sup 2 +/), and (Cu/sup 3 +/) interactions with chemically bound oxygen similar as in superconducting YBa/sub 2/Cu/sub 3/O/sub 7/ or (La,Sr)/sub 2/CuO/sub 4/ and may be a phenomenon of irreversible thermodynamics which is related to the kind of cooperative electron-copper-oxygen interactions which also give rise to high-temperature superconduction. The relevance of the model system is supported by the formation of the H/sub 2/O/sub 2/more » species on the surface of high-temperature superconducting materials in contact with ambiental humidity. It is shown how, by a simple modification of the interaction mechanism, an oscillatory phenomenon such as that observed with oxidized copper sulfide interfaces, which follows a limiting cycle, can be converted into a triple-state phenomenon. Such a cooperative mechanism that involves a lowest steady state which is unable to turn over energy may be the background for the pairing of electrons or a related cooperative interaction process in superconduction. As a possible support, no interfacial oscillations could yet be induced with Ba/sub 2/Cu/sub 3/Y/sub 7/.« less

  15. Electrical and magnetic properties of superconducting-insulating Pr-doped GdBa{sub 2}Cu{sub 3}O{sub 7{minus}y}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yamani, Z.; Akhavan, M.

    1997-10-01

    An extensive study of magnetic, electrical transport, and structural properties of the normal and superconducting states of Gd{sub 1{minus}x}Pr{sub x}Ba{sub 2}Cu{sub 3}O{sub 7{minus}y} (GdPr-123) are presented. Ceramic compounds have been synthesized by the solid-state reaction technique, and characterized by x-ray-diffraction, scanning-electron-microscopy, thermogravimetric, and differential-thermal analyses. The superconducting transition temperature is reduced with increasing Pr content x in a nonlinear manner, in contrast to Abrikosov-Gor{close_quote}kov pair-breaking theory. Magnetic susceptibility measurements show that the nominal Pr valence is 3.86+, independently of x. A metal-insulator transition is observed at x{sub cr}{approx}0.45, similar to that in the oxygen-deficient RBa{sub 2}Cu{sub 3}O{sub 7{minus}y} (R-123) system.more » Based on this resemblance, we suggest that both Pr doping and oxygen deficiency act through the same mechanism. Hence, the environment surrounding the CuO{sub 2} layers is important to high-T{sub c} superconductivity (HTSC). In this sense, HTSC cannot completely be a two-dimentional feature. A chain-plane-correlation effect is plausible. {copyright} {ital 1997} {ital The American Physical Society}« less

  16. Electron-phonon Interactions in HTSC Cuprates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Egami, T.; Chung, J.-H.; McQueeny, R. J.

    Phonons have been generally considered to be irrelevant to the high-temperature superconductivity in the cuprates. However, such a bias is usually based upon the assumption of conventional electron-phonon coupling, while in the cuprates the coupling can be rather unconventional because of strong electron correlation. We present the results of our recent measurements of phonon dispersion in YBa{sub 2}Cu{sub 3}O{sub 6+x} by inelastic neutron scattering. These suggest certain phonon modes interact strongly with electrons and are closely involved in the superconductivity phenomenon with possible contribution to pairing.

  17. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Auciello, O.; Ameen, M.S.; Graettinger, T.M.

    Ion beam sputtering is presently used to deposit films from single phase YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} targets. Generally, Ar+ ion beams ({approx}1500 eV) produced by Kaufman-type ion sources are used for this purpose. It has been observed that these ion beams induce compositional and morphological changes on the polycrystalline ceramic target surface, which results in the composition of sputtered flux displaying a time-dependent behavior. This in turn may lead to undesirably long times for reaching steady state conditions in the sputtering process.

  18. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Auciello, O.; Ameen, M.S.; Graettinger, T.

    Ion beam sputtering is presently used to deposit films from single phase YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} targets. Generally, Ar{sup +} ion beams ({similar to}1500 eV) produced by Kaufman-type ion sources are used for this purpose. It has been observed that these ion beams induce compositional and morphological changes on the polycrystalline ceramic target surface, which results in the composition of sputtered flux displaying a time-dependent behavior. This in turn may lead to undesirably long times for reaching steady state conditions in the sputtering process.

  19. Effects of sulfurization time and H{sub 2}S concentration on electrical properties of Cu{sub 2}ZnSnS{sub 4} films prepared by sol–gel method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Long, Bo; Cheng, Shuying, E-mail: sycheng@fzu.edu.cn; Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou 213164

    2016-01-15

    Highlights: • Cu{sub 2}ZnSnS{sub 4} (CZTS) films were prepared by sol–gel method following sulfurization. • The sulfurization time and H{sub 2}S concentration have the effects on the electrical properties. • The tin loss is increased with the increasing of the sulfurization time. • The secondary phases like ZnS make the electrical properties worse. • The CZTS films sulfurized at 5% H{sub 2}S for 90 min had the best electrical properties. - Abstract: Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films have been successfully deposited by a sol–gel method and sulfurization process. The properties of the films were investigated by varying sulfurization timemore » and H{sub 2}S concentration. X-ray diffraction and Raman spectra analyses revealed the formation of CZTS films with a tetragonal type kesterite structure. With increasing the sulfurization time and H{sub 2}S concentration, the intensity of the kesterite (1 1 2) peak became sharper. The stoichiometric ratios of the CZTS films were different from the precursors, which was due to Sn loss during the sulfurization process. The electrical resistivity and mobility of the films increased while the carrier concentration decreased with increasing the sulfurization time. The CZTS thin films sulfurized at 5% H{sub 2}S concentration for 90 min had the best opto-electrical properties with E{sub g} of 1.41 eV, resistivity of 3.64 Ω cm, carrier concentration of 1.11 × 10{sup 18} cm{sup −3} and mobility of 1.54 cm{sup 2}/(V s) at room temperature for PV application.« less

  20. Superconductivity at different T{sub c} in CdBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub y}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Balchev, N.; Lovchinov, V.; Gattef, E.

    1995-06-01

    A Cd analogue of the Tl and Hg n=3 series with nominal composition CdBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub y} has been synthesized. The samples were superconducting according to magnetic susceptibility measurements. The critical temperature was 103 or 107 K depending on the preparation conditions. The EDX analysis revealed the presence of Cd-1111, Cd-1121, and Cd-2333 as minor phases. The observed diamagnetic effects were attributed to the different T{sub c} of these phases.

  1. Improvement of critical current density in thallium-based (Tl,Bi)Sr{sub 1.6}Ba{sub 0.4}Ca{sub 2}Cu{sub 3}O{sub x} superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ren, Z.F.; Wang, C.A.; Wang, J.H.

    1994-12-31

    Epitaxial (Tl,Bi)Sr{sub 1.6}Ba{sub 0.4}Ca{sub 2}Cu{sub 3}O{sub x} (Tl,Bi)-1223 thin films on (100) single crystal LaAlO{sub 3} substrates were synthesized by a two-step procedure. Phase development, microstructure, and relationships between film and substrate were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Resistance versus temperature, zero-field-cooled and field-cooled magnetization, and transport critical current density (J{sub c}) were measured. The zero-resistance temperature was 105-111 K. J{sub c} at 77 K and zero field was > 2 x 10{sup 6} A/cm{sup 2}. The films exhibited good flux pinning properties.

  2. Structural, magneto-optical properties and cation distribution of SrBi{sub x}La{sub x}Y{sub x}Fe{sub 12−3x}O{sub 19} (0.0 ≤ x ≤ 0.33) hexaferrites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Auwal, I.A.; Güngüneş, H.; Güner, S.

    Highlights: • SrBi{sub x}La{sub x}Y{sub x}Fe{sub 12−3x}O{sub 19} (0.0 ≤ x ≤ 0.33) hexaferrites have been prepared by sol-gel autocombustion. • XRD patterns show that SrBi{sub x}La{sub x}Y{sub x}Fe{sub 12−3x}O{sub 19} (0.0 ≤ x ≤ 0.33) hexaferrites exhibit hexagonal structure. • The intrinsic coercivity (H{sub ci}) above 15000 Oe reveals that all samples are magnetically hard materials. - Abstract: SrBi{sub x}La{sub x}Y{sub x}Fe{sub 12−3x}O{sub 19} (0.0 ≤ x ≤ 0.33) hexaferrites were produced via sol-gel auto combustion. XRD patterns show that all the samples are single-phase M-type strontium hexaferrite (SrM). The magnetic hysteresis (σ-H) loops revealed the ferromagnetic nature ofmore » nanoparticles (NPs). The coercive field decreases from 4740 Oe to 2720 Oe with increasing ion content. In particular, SrBi{sub x}La{sub x}Y{sub x}Fe{sub 12−3x}O{sub 19} NPs with x = 0.0, 0.1, 0.2 have suitable magnetic characteristics (σ{sub s} = 62.03–64.72 emu/g and H{sub c} = 3105–4740 Oe) for magnetic recording. The intrinsic coercivity (H{sub ci}) above 15000 Oe reveals that all samples are magnetically hard materials. Tauc plots were used to specify the direct optical energy band gap (E{sub g}) of NPs. The E{sub g} values are between 1.76 eV and 1.85 eV. {sup 57}Fe Mössbauer spectroscopy data, the variation in line width, isomer shift, quadrupole splitting, relative area and hyperfine magnetic field values on Bi{sup 3+} La{sup 3+} and Y{sup 3+} substitutions have been determined.« less

  3. Optimization of the deposition conditions and structural characterization of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7-x} thin superconducting films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chrzanowski, J.; Meng-Burany, S.; Xing, W.B.

    1994-12-31

    Two series of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub z} thin films deposited on (001) LaAlO{sub 3} single crystals by excimer laser ablation under two different protocols have been investigated. The research has yielded well defined deposition conditions in terms of oxygen partial pressure p(O{sub 2}) and substrate temperature of the deposition process T{sub h}, for the growth of high quality epitaxial films of YBCO. The films grown under conditions close to optimal for both j{sub c} and T{sub c} exhibited T{sub c}{ge}91 K and j{sub c}{ge}4 x 10{sup 6} A/cm{sup 2}, at 77 K. Close correlations between the structural quality ofmore » the film, the growth parameters (p(O{sub 2}), T{sub h}) and j{sub c} and T{sub c} have been found.« less

  4. Dielectric and phonon properties of the multiferroic ferrimagnet Cu{sub 2}OSeO{sub 3}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Apostolova, I. N., E-mail: inaapos@abv.bg

    2014-02-14

    We propose a microscopic model in order to study the multiferroic properties of Cu{sub 2}OSeO{sub 3} taking into account the ferrimagnetic interaction, frustration, linear magnetoelectric (ME) coupling, and anharmonic spin-phonon interaction. We have shown that the dielectric constant and the phonon energy and damping have a kink near the magnetic phase transition T{sub C} = 58 K which disappears with increasing of an external magnetic field. This behavior is an evidence for a strong ME coupling and in qualitative agreement with the experimental data.

  5. High-performance ultraviolet detection and visible-blind photodetector based on Cu{sub 2}O/ZnO nanorods with poly-(N-vinylcarbazole) intermediate layer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Perng, Dung-Ching, E-mail: dcperng@ee.ncku.edu.tw; Center for Micro/Nano Science and Technology, National Cheng Kung University, One University Road, Tainan 701, Taiwan; Lin, Hsueh-Pin

    This study reports a high-performance hybrid ultraviolet (UV) photodetector with visible-blind sensitivity fabricated by inserting a poly-(N-vinylcarbazole) (PVK) intermediate layer between low-cost processed Cu{sub 2}O film and ZnO nanorods (NRs). The PVK layer acts as an electron-blocking/hole-transporting layer between the n-ZnO and p-Cu{sub 2}O films. The Cu{sub 2}O/PVK/ZnO NR photodetector exhibited a responsivity of 13.28 A/W at 360 nm, a high detectivity of 1.03 × 10{sup 13} Jones at a low bias of −0.1 V under a low UV light intensity of 24.9 μW/cm{sup 2}. The photo-to-dark current ratios of the photodetector with and without the PVK intermediate layer at a bias of −0.5 V are 1.34 × 10{supmore » 2} and 3.99, respectively. The UV-to-visible rejection ratios (R{sub 360 nm}/R{sub 450 nm}) are 350 and 1.735, respectively. Several features are demonstrated: (a) UV photo-generated holes at the ZnO NRs can effectively be transported through the PVK layer to the p-Cu{sub 2}O layer; (b) the insertion of a PVK buffer layer significantly minimizes the reverse-bias leakage current, which leads to a larger amplification of the photocurrent; and (c) the PVK buffer layer greatly improves the UV-to-visible responsivity ratio, allowing the device to achieve high UV detection sensitivity at a low bias voltage using a very low light intensity.« less

  6. Comparison of structural and magnetic properties of Zn{sub x}Mg{sub 1.5-x}Mn{sub 0.5}FeO{sub 4} and MgAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} spinel oxides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Thummer, K. P., E-mail: kpthummer@yahoo.co.in; Tanna, A. R., E-mail: ashish.tanna@rku.ac.in; Joshi, H. H.

    2016-05-23

    The spinel oxides Zn{sub x}Mg{sub 1.5-x}Mn{sub 0.5}FeO{sub 4} (x = 0.0 to 0.6) and MgAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} (x = 0.0 to 0.6) abbreviated as ZMMFO and MACFO respectively, were synthesized by standard ceramic processing. The compositional purity of all the specimens was checked by EDAX technique. The X-ray diffractometry was employed to determine the lattice constants and distribution of cations in the interstitial voids. The initial decrease of cell edge parameter (a) for ZMMFO up to x = 0.2 and thereafter expected rise in the ‘a’ and the initial slower rate of reduction in the lattice constant formore » MACFO are explained as basic of cation occupancy. The magnetic ordering in both systems is explained by invoking statistical canting models. The compositional variation of magneton number (n{sub B}) for ZMMFO could be very well explained by Localized canting of spin (LCS) model while Random canting of spin (RCS) model was used for MACFO system.« less

  7. Process for forming epitaxial perovskite thin film layers using halide precursors

    DOEpatents

    Clem, Paul G.; Rodriguez, Mark A.; Voigt, James A.; Ashley, Carol S.

    2001-01-01

    A process for forming an epitaxial perovskite-phase thin film on a substrate. This thin film can act as a buffer layer between a Ni substrate and a YBa.sub.2 Cu.sub.3 O.sub.7-x superconductor layer. The process utilizes alkali or alkaline metal acetates dissolved in halogenated organic acid along with titanium isopropoxide to dip or spin-coat the substrate which is then heated to about 700.degree. C. in an inert gas atmosphere to form the epitaxial film on the substrate. The YBCO superconductor can then be deposited on the layer formed by this invention.

  8. Formation of the low-resistivity compound Cu{sub 3}Ge by low-temperature treatment in an atomic hydrogen flux

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Erofeev, E. V., E-mail: erofeev@micran.ru; Kazimirov, A. I.; Fedin, I. V.

    The systematic features of the formation of the low-resistivity compound Cu{sub 3}Ge by low-temperature treatment of a Cu/Ge two-layer system in an atomic hydrogen flux are studied. The Cu/Ge two-layer system is deposited onto an i-GaAs substrate. Treatment of the Cu/Ge/i-GaAs system, in which the layer thicknesses are, correspondingly, 122 and 78 nm, in atomic hydrogen with a flux density of 10{sup 15} at cm{sup 2} s{sup –1} for 2.5–10 min at room temperature induces the interdiffusion of Cu and Ge, with the formation of a polycrystalline film containing the stoichiometric Cu{sub 3}Ge phase. The film consists of vertically orientedmore » grains 100–150 nm in size and exhibits a minimum resistivity of 4.5 µΩ cm. Variations in the time of treatment of the Cu/Ge/i-GaAs samples in atomic hydrogen affect the Cu and Ge depth distribution, the phase composition of the films, and their resistivity. Experimental observation of the synthesis of the Cu{sub 3}Ge compound at room temperature suggests that treatment in atomic hydrogen has a stimulating effect on both the diffusion of Cu and Ge and the chemical reaction of Cu{sub 3}Ge-compound formation. These processes can be activated by the energy released upon the recombination of hydrogen atoms adsorbed at the surface of the Cu/Ge/i-GaAs sample.« less

  9. Modeling and Optimization of a High-Tc Hot-Electron Superconducting Mixer for Terahertz Applicaitons

    NASA Technical Reports Server (NTRS)

    Karasik, B. S.; McGrath, W. R.; Gaidis, M. C.; Burns, M. J.; Kleinsasser, A. W.; Delin, K. A.; Vasquez, R. P.

    1996-01-01

    The development of a YBa(sub 2)Cu(sub 3)O(sub 7-(kronecker delta))(YBCO) hot-electron bolometer (HEB) quasioptical mixer for a 2.5 heterodyne receiver is discussed. The modeled device is a submicron bridge made from a 10 nm thick film on a high thermal conductance substrate. The mixer performance expected for this device is analyzed in the framework of a two-temperature model which includes heating both of the electrons and the lattice. Also, the contribution of heat diffusion from the film through the substrate and from the film to the normal metal contacts is evaluated....a single sideband temperature of less than 2000k is predicted.

  10. Cube-like Cu{sub 2}MoS{sub 4} photocatalysts for visible light-driven degradation of methyl orange

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Ke; Chen, Wenxing; Chen, Haiping

    2015-07-15

    Cube-like Cu{sub 2}MoS{sub 4} nanoparticles with low-index facets and high crystallinity were fabricated via a hydrothermal method. The as-obtained nanocubes with an average size of 40-60 nm are composed of stacking-Cu{sub 2}MoS{sub 4} layers separated by a weak Van der Waals gap of 0.5 nm. A strong absorption at visible light region is observed in the nanocube aqueous solution, indicating its optical-band gap of 1.78 eV. The photocatalytic measurements reveal that the nanocubes can thoroughly induce the degradation of methyl orange under visible light irradiation with good structural stability. Our finding may provide a way in design and fabrication ofmore » transition metal dichalcogenide nanostructures for practical applications.« less

  11. Nanostructure investigation of magnetic nanomaterial Ni{sub 0.5}Zn{sub 0.3}Cu{sub 0.2}Fe{sub 2}O{sub 4} synthesized by sol-gel method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pransisco, Prengki, E-mail: prengkipransisco@gmail.com; Badan Lingkungan Hidup Derah Kabupaten Empat Lawang South of Sumatera; Shafie, Afza, E-mail: afza@petronas.com.my

    2015-07-22

    Magnetic nanomaterial Ni{sub 0.5}Zn{sub 0.3}Cu{sub 0.2}Fe{sub 2}O{sub 4} was successfully prepared by using sol-gel method. Heat treatment on material is always giving defect on properties of material. This paper investigates the effect of heat treatment on nanostructure of magnetic nanomaterial Ni{sub 0.5}Zn{sub 0.3}Cu{sub 0.2}Fe{sub 2}O{sub 4}. According to thermo gravimetric analysis (TGA) that after 600°C there is no more weight loss detected and it was decided as minimum calcination temperature. Intensity, crystallite size, structure, lattice parameter and d-spacing of the material were investigated by using X-ray diffraction (XRD). High resolution transmission electron microscope (HRTEM) was used to examine nanostructure, nanosize,more » shape and distribution particle of magnetic material Ni{sub 0.5}Zn{sub 0.3}Cu{sub 0.2}Fe{sub 2}O{sub 4} and variable pressure field emission scanning electron microscope (VP-FESEM) was used to investigate the surface morphology and topography of the material. The XRD result shows single-phase cubic spinel structure with average crystallite size in the range of 25.6-95.9 nm, the value of the intensity of the material was increased with increasing temperature, and followed by lattice parameter was increased with increasing calcination temperature, value of d-spacing was relatively decreased with accompanied increasing temperature. From HRTEM result the distribution of particles was tend to be agglomerates with particle size of 7.8-17.68 nm. VP-FESEM result shows that grain size of the material increases with increasing calcination temperature and the surface morphology shows that the material is in hexagonal shape and it was also proved by mapping result which showing the presence each of constituents inside the compound.« less

  12. Fracture toughness for copper oxide superconductors

    DOEpatents

    Goretta, K.C.; Kullberg, M.L.

    1993-04-13

    An oxide-based strengthening and toughening agent, such as tetragonal ZrO[sub 2] particles, has been added to copper oxide superconductors, such as superconducting YBa[sub 2]Cu[sub 3]O[sub x] (123) to improve its fracture toughness (K[sub IC]). A sol-gel coating which is non-reactive with the superconductor, such as Y[sub 2]BaCuO[sub 5] (211) on the ZrO[sub 2] particles minimized the deleterious reactions between the superconductor and the toughening agent dispersed therethrough. Addition of 20 mole percent ZrO[sub 2] coated with 211 yielded a 123 composite with a K[sub IC] of 4.5 MPa(m)[sup 0.5].

  13. Fracture toughness for copper oxide superconductors

    DOEpatents

    Goretta, Kenneth C.; Kullberg, Marc L.

    1993-01-01

    An oxide-based strengthening and toughening agent, such as tetragonal Zro.sub.2 particles, has been added to copper oxide superconductors, such as superconducting YBa.sub.2 Cu.sub.3 O.sub.x (123) to improve its fracture toughness (K.sub.IC). A sol-gel coating which is non-reactive with the superconductor, such as Y.sub.2 BaCuO.sub.5 (211) on the ZrO.sub.2 particles minimized the deleterious reactions between the superconductor and the toughening agent dispersed therethrough. Addition of 20 mole percent ZrO.sub.2 coated with 211 yielded a 123 composite with a K.sub.IC of 4.5 MPa(m).sup.0.5.

  14. BEAN MODEL AND AC LOSSES IN Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}/Ag TAPES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    SUENAGA,M.; CHIBA,T.; WIESMANN,H.J.

    The Bean model is almost solely used to interpret ac losses in the powder-in-tube processed composite conductor, Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}/Ag. In order to examine the limits of the applicability of the model, a detailed comparison was made between the values of critical current density J{sub c} for Bi(2223)/Ag tapes which were determined by standard four-probe-dc measurement, and which were deduced from the field dependence of the ac losses utilizing the model. A significant inconsistency between these values of J{sub c} were found, particularly at high fields. Possible sources of the discrepancies are discussed.

  15. Method of producing improved microstructure and properties for ceramic superconductors

    DOEpatents

    Singh, Jitendra P.; Guttschow, Rob A.; Dusek, Joseph T.; Poeppel, Roger B.

    1996-01-01

    A ceramic superconductor is produced by close control of oxygen partial pressure during sintering of the material. The resulting microstructure of YBa.sub.2 Cu.sub.3 O.sub.x indicates that sintering kinetics are enhanced at reduced p(O.sub.2). The density of specimens sintered at 910.degree. C. increased from 79 to 94% theoretical when p(O.sub.2) was decreased from 0.1 to 0.0001 MPa. The increase in density with decrease in p(O.sub.2) derives from enhanced sintering kinetics, due to increased defect concentration and decreased activation energy of the rate-controlling species undergoing diffusion. Sintering at 910.degree. C. resulted in a fine-grain microstructure, with an average grain size of approximately 4 .mu.m. Such a microstructure results in reduced microcracking, strengths as high as 191 MPa and high critical current density capacity.

  16. Method of producing improved microstructure and properties for ceramic superconductors

    DOEpatents

    Singh, J.P.; Guttschow, R.A.; Dusek, J.T.; Poeppel, R.B.

    1996-06-11

    A ceramic superconductor is produced by close control of oxygen partial pressure during sintering of the material. The resulting microstructure of YBa{sub 2}Cu{sub 3}O{sub x} indicates that sintering kinetics are enhanced at reduced p(O{sub 2}). The density of specimens sintered at 910 C increased from 79 to 94% theoretical when p(O{sub 2}) was decreased from 0.1 to 0.0001 MPa. The increase in density with decrease in p(O{sub 2}) derives from enhanced sintering kinetics, due to increased defect concentration and decreased activation energy of the rate-controlling species undergoing diffusion. Sintering at 910 C resulted in a fine-grain microstructure, with an average grain size of approximately 4 {micro}m. Such a microstructure results in reduced microcracking, strengths as high as 191 MPa and high critical current density capacity. 20 figs.

  17. (Bi, Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} superconductor and method of making same utilizing sinter-forging

    DOEpatents

    Chen, N.; Goretta, K.C.; Lanagan, M.T.

    1998-10-13

    A (BiPb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x}(Bi223) superconductor with high J{sub c}, phase purity, density and mechanical strength is formed from Bi2223 powder which is synthesized from a mixture of Bi{sub 2}O{sub 3}, PbO, SrCO{sub 3}, CaCo{sub 3} and CuO. The mixture is milled, then dried and calcined to synthesize the Bi2223 powder with the desired phase purity. The calcination is performed by heating the dried mixture for 50 hours at 840 C. The partially synthesized powder is then milled for 1--4 hours before calcining further for another 50 hours at 855 C to complete the synthesis. After calcination, the Bi2223 powder is cold pressed to a predetermined density and sinter forged under controlled temperature and time to form a Bi2223 superconductor with the desired superconducting properties. 5 figs.

  18. (Bi, Pb).sub.2, Sr.sub.2 Ca.sub.2 Cu.sub.3 O.sub.x superconductor and method of making same utilizing sinter-forging

    DOEpatents

    Chen, Nan; Goretta, Kenneth C.; Lanagan, Michael T.

    1998-01-01

    A (BiPb).sub.2 Sr.sub.2 Ca.sub.2 Cu.sub.3 O.sub.x (Bi223) superconductor with high J.sub.c, phase purity, density and mechanical strength is formed from Bi2223 powder which is synthesized from a mixture of Bi.sub.2 O.sub.3, PbO, SrCO.sub.3, CaCo.sub.3 and CuO. The mixture is milled, then dried and calcined to synthesize the Bi2223 powder with the desired phase purity. The calcination is performed by heating the dried mixture for 50 hours at 840.degree. C. The partially synthesized powder is then milled for 1-4 hours before calcining further for another 50 hours at 855.degree. C. to complete the synthesis. After calcination, the Bi2223 powder is cold pressed to a predetermined density and sinter forged under controlled temperature and time to form a Bi2223 superconductor with the desired superconducting properties.

  19. Structure refinements of members in the brownmillerite solid solution series Ca{sub 2}Al{sub x}(Fe{sub 0.5}Mn{sub 0.5}){sub 2-x}O{sub 5+{delta}} with 1/2{<=}x{<=}4/3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stoeber, Stefan, E-mail: stefan.stoeber@geo.uni-halle.de; Redhammer, Guenther; Schorr, Susan

    2013-01-15

    Four different brownmillerite solid solutions Ca{sub 2}Al{sub x}(Fe{sub 0.5}Mn{sub 0.5}){sub 2-x}O{sub 5+{delta}} with 1/2{<=}x{<=}4/3 were synthesized by a solid oxide ceramic method. The phases crystallize either in a primitive centered orthorhombic cell with space group Pnma or in a body centered cell with space group I2mb dependent on the aluminum concentration present in the solid solution. Mn{sup 3+} ions occupy exclusively site 4a coordinated by six oxygen anions. Increasing Mn{sup 3+} concentrations cause a remarkable distortion of the octahedron and indirectly of the tetrahedron, resulting in twisted and tilted octahedral layers as well as buckled tetrahedral chains. The influences aremore » discussed on the site 4a of trivalent manganese due to its Jahn-Teller activity, with regard to the occupation of octahedron and tetrahedron with different sized iron and aluminum ions. - Graphical Abstract: The coupled substitution Fe{sup 3+}>Mn{sup 3+}+Fe{sup 3+} <=>2 Al{sup 3+} in brownmillerite phases (Ca{sub 2}(Fe{sub 0.5}Mn{sub 0.5}){sub 2-x}Al{sub x}O{sub 5+{delta}}) changes predominantly their structural properties, which is essential for the hydration performance of the calcium aluminate cement, where brownmillerites occur as clinker phases. Highlights: Black-Right-Pointing-Pointer We present structural data of four Ca-Al-Fe-Mn-brownmillerites. Black-Right-Pointing-Pointer Mn{sup 3+}-ions occupy exclusively the octahedrally coordinated site 0,0,0. Black-Right-Pointing-Pointer Bonds and angles of the octahedrally coordinated site are distorted strongly. Black-Right-Pointing-Pointer Mn{sup 3+}-ions influence indirectly the shape of the tetrahedron. Black-Right-Pointing-Pointer Mn{sup 3+}-ions stabilize Pnma instead of I2mb in Ca-Al-Fe-Mn-brownmillerites.« less

  20. The Bean model and ac losses in Bi{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}/Ag tapes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Suenaga, M.; Chiba, T.; Wiesmann, H.J.

    The Bean model is almost solely used to interpret ac losses in the powder-in-tube processed composite conductor, Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}/Ag. In order to examine the limits of the applicability of the model, a detailed comparison was made between the values of critical current density J{sub c} for Bi(2223)/Ag tapes which were determined by standard four-probe-dc measurement, and which were deduced from the field dependence of the ac losses utilizing the model. A significant inconsistency between these values of J{sub c} were found, particularly at high fields. Possible sources of the discrepancies are discussed.

  1. Artificially layered films of CuBa{sub 2} (Ca{sub 1{minus}x}Sr{sub x}){sub n{minus}1}Cu{sub n}O{sub y} grown using pulsed laser deposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Aruta, C.; Balestrino, G.; Martellucci, S.

    We have shown that the pulsed laser deposition technique (PLD) can be successfully used to grow artificially layered films of the CuBa{sub 2}(Ca{sub 1{minus}x}Sr{sub x}){sub n{minus}1}Cu{sub n}O{sub y} compound using only two targets having nominal composition BaCuO{sub y} and (Ca{sub 1{minus}x}Sr{sub x})CuO{sub y}, respectively. n was varied between 2 and 5. We have demonstrated, by a kinematic analysis of the x-ray diffraction spectra that the average random discrete thickness fluctuations which affect both the BaCuO{sub y} and (Ca{sub 1{minus}x}Sr{sub x})CuO{sub y} layers are much smaller than one atomic layer. Such features are confirmed by the appearance of sharp peaks evenmore » for the n=2 artificially layered structure where only one (Ca{sub 1{minus}x}Sr{sub x})CuO{sub y} cell is deposited in the stacking sequence. These results show that truly new structures can be obtained by a layer by layer deposition technique with a low interfacial disorder and give strong support to the idea of synthesizing new artificial high T{sub c} structures by the PLD technique.{copyright} {ital 1997 American Institute of Physics.}« less

  2. Rapid synthesis of flower shaped Cu{sub 2}ZnSnS{sub 4} nanoparticles by microwave irradiation for solar cell application

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ansari, Mohd Zubair, E-mail: mhd.zubair1@gmail.com; Khare, Neeraj

    Single phase Cu{sub 2}ZnSnS{sub 4} (CZTS) nanoparticles have been synthesized by the microwave-assisted solution method in a one step process. Structural, morphological and optical characterizations of the CZTS nanoparticles have been carried out. X-ray diffraction confirms the single phase formation of CZTS nanoparticles with kesterite structure. SEM confirms the homogenous distribution of CZTS nanoparticles flower like assemblies. High resolution TEM image confirms the good crystallinity of the CZTS nanoparticles with the average grain size ~20 nm. The CZTS nanoparticles have strong optical absorption in the visible region with direct band gap as ~1.6 eV which is optimal for photovoltaic application.

  3. Structures and properties of materials recovered from high shock pressures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nellis, W.J.

    1994-03-01

    Shock compression produces high dynamic pressures, densities, temperatures, and their quench rates. Because of these extreme conditions, shock compression produces materials with novel crystal structures, microstructures, and physical properties. Using a 6.5-m-long two-stage gun, we perform experiments with specimens up to 10 mm in diameter and 0.001--1 mm thick. For example, oriented disks of melt-textured superconducting YBa{sub 2}Cu{sub 3}O{sub 7} were shocked to 7 GPa without macroscopic fracture. Lattice defects are deposited in the crystal, which improve magnetic hysteresis at {approximately}1 kOe. A computer code has been developed to simulate shock compaction of 100 powder particles. Computations will be comparedmore » with experiments with 15--20 {mu}m Cu powders. The method is applicable to other powders and dynamic conditions.« less

  4. Characterization of the insulator barrier and the superconducting transition temperature in GdBa{sub 2}Cu{sub 3}O{sub 7−δ}/BaTiO{sub 3} bilayers for application in tunnel junctions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Navarro, H., E-mail: henrynavarro@cab.cnea.gov.ar; Sirena, M.; Haberkorn, N.

    2015-07-28

    The optimization of the superconducting properties in a bottom electrode and the quality of an insulator barrier are the first steps in the development of superconductor/insulator/superconductor tunnel junctions. Here, we study the quality of a BaTiO{sub 3} tunnel barrier deposited on a 16 nm thick GdBa{sub 2}Cu{sub 3}O{sub 7−δ} thin film by using conductive atomic force microscopy. We find that the tunnel current is systematically reduced (for equal applied voltage) by increasing the BaTiO{sub 3} barrier thickness between 1.6 and 4 nm. The BaTiO{sub 3} layers present an energy barrier of ≈1.2 eV and an attenuation length of 0.35–0.5 nm (depending on the appliedmore » voltage). The GdBa{sub 2}Cu{sub 3}O{sub 7−δ} electrode is totally covered by a BaTiO{sub 3} thickness above 3 nm. The presence of ferroelectricity was verified by piezoresponse force microscopy for a 4 nm thick BaTiO{sub 3} top layer. The superconducting transition temperature of the bilayers is systematically suppressed by increasing the BaTiO{sub 3} thickness. This fact can be associated with stress at the interface and a reduction of the orthorhombicity of the GdBa{sub 2}Cu{sub 3}O{sub 7−δ}. The reduction in the orthorhombicity is expected by considering the interface mismatch and it can also be affected by reduced oxygen stoichiometry (poor oxygen diffusion across the BaTiO{sub 3} barrier)« less

  5. Temperature dependent fabrication of cost-effective and nontoxic Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films for solar cell

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Digraskar, Renuka, E-mail: renukad120@gmail.com; Sathe, Bhaskar, E-mail: bhaskarsathe@gmail.com; Gattu, Ketan

    2016-05-06

    In the present work, Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films have been fabricated onto the glass substrate by simple and economic chemical bath deposition technique{sup 1}, and the effect of deposition temperature is reported. The deposition temperatures used were 50°C and 60°C for a deposition time of 60 min, which are significantly lower than earlier reports. These CZTS thin films were characterized for optical, electrical, morphological and elemental properties using, UV-Vis spectrophotometer, I-V system for photosensitivity, two probe resistivity system for resistivity, scanning electron microscopy, energy dispersive spectroscopy and Raman spectroscopy.

  6. Flux pinning forces in irradiated a-axis oriented EuBa{sub 2}Cu{sub 3}O{sub 7} films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Martin, J. I.; Gonzalez, E. M.; Kwok, W.-K

    1999-10-12

    {alpha}-axis oriented EuBa{sub 2}Cu{sub 3}O{sub 7} films have been irradiated with high energy heavy ions in different configurations to study the possible pinning role of the artificial defects in this kind of samples. The original pinning limiting mechanism of the samples is not essentially altered what the irradiation is parallel to the CuO{sub 2} planes. However, when it is deviated from this direction, an increase in critical current density and a change in pinning force are observed when the magnetic field is parallel to the columnar defects at values around the matching field.

  7. Orientation dependences of atomic structures in chemically heterogeneous Cu{sub 50}Ta{sub 50}/Ta glass-crystal interfaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Guiqin; Gao, Xiaoze; Li, Jinfu

    2015-01-07

    Molecular dynamics simulations based on an angular-dependent potential were performed to examine the structural properties of chemically heterogeneous interfaces between amorphous Cu{sub 50}Ta{sub 50} and crystalline Ta. Several phenomena, namely, layering, crystallization, intermixing, and composition segregation, were observed in the Cu{sub 50}Ta{sub 50} region adjacent to the Ta layers. These interfacial behaviors are found to depend on the orientation of the underlying Ta substrate: Layering induced by Ta(110) extends the farthest into Cu{sub 50}Ta{sub 50}, crystallization in the Cu{sub 50}Ta{sub 50} region is most significant for interface against Ta(100), while inter-diffusion is most pronounced for Ta(111). It turns out thatmore » the induced layering behavior is dominated by the interlayer distances of the underlying Ta layers, while the degree of inter-diffusion is governed by the openness of the Ta crystalline layers. In addition, composition segregations are observed in all interface models, corresponding to the immiscible nature of the Cu-Ta system. Furthermore, Voronoi polyhedra 〈0,5,2,6〉 and 〈0,4,4,6〉 are found to be abundant in the vicinity of the interfaces for all models, whose presence is believed to facilitate the structural transition between amorphous and body centered cubic.« less

  8. Growth and characterization of single phase Cu{sub 2}O by thermal oxidation of thin copper films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Choudhary, Sumita; Sarma, J. V. N.; Gangopadhyay, Subhashis, E-mail: subhagan@yahoo.com

    2016-04-13

    We report a simple and efficient technique to form high quality single phase cuprous oxide films on glass substrate using thermal evaporation of thin copper films followed by controlled thermal oxidation in air ambient. Crystallographic analysis and oxide phase determination, as well as grain size distribution have been studied using X-ray diffraction (XRD) method, while scanning electron microscopy (SEM) has been utilized to investigate the surface morphology of the as grown oxide films. The formation of various copper oxide phases is found to be highly sensitive to the oxidation temperature and a crystalline, single phase cuprous oxide film can bemore » achieved for oxidation temperatures between 250°C to 320°C. Cu{sub 2}O film surface appeared in a faceted morphology in SEM imaging and a direct band gap of about 2.1 eV has been observed in UV-visible spectroscopy. X-ray photoelectron spectroscopy (XPS) confirmed a single oxide phase formation. Finally, a growth mechanism of the oxide film has also been discussed.« less

  9. Enhanced pinning in mixed rare earth-123 films

    DOEpatents

    Driscoll, Judith L [Los Alamos, NM; Foltyn, Stephen R [Los Alamos, NM

    2009-06-16

    An superconductive article and method of forming such an article is disclosed, the article including a substrate and a layer of a rare earth barium cuprate film upon the substrate, the rare earth barium cuprate film including two or more rare earth metals capable of yielding a superconductive composition where ion size variance between the two or more rare earth metals is characterized as greater than zero and less than about 10.times.10.sup.-4, and the rare earth barium cuprate film including two or more rare earth metals is further characterized as having an enhanced critical current density in comparison to a standard YBa.sub.2Cu.sub.3O.sub.y composition under identical testing conditions.

  10. Relationship between morphologies and orientations of Cu{sub 6}Sn{sub 5} grains in Sn3.0Ag0.5Cu solder joints on different Cu pads

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tian, Yanhong, E-mail: tianyh@hit.edu.cn; Zhang, Rui; Hang, Chunjin

    2014-02-15

    The morphologies and orientations of Cu{sub 6}Sn{sub 5} intermetallic compounds in the Sn3.0Ag0.5Cu solder joints both on polycrystalline and single crystal Cu pads under different peak reflow temperatures and times above liquids were investigated. The relationship between Cu{sub 6}Sn{sub 5} grain orientations and morphologies was clarified. At the interface of Sn3.0Ag0.5Cu/polycrystalline Cu pad, scalloped Cu{sub 6}Sn{sub 5} intermetallic compounds formed at 250 °C and roof shape Cu{sub 6}Sn{sub 5} formed at 300 °C. Both scalloped Cu{sub 6}Sn{sub 5} and roof shape Cu{sub 6}Sn{sub 5} had a preferred orientation of (0001) plane being parallel to polycrystalline Cu pad surface. Besides, themore » percentage of large angle grain boundaries increased as the peak reflow temperature rose. At the interface of Sn3.0Ag0.5Cu/(111) single crystal Cu pad, the Cu{sub 6}Sn{sub 5} intermetallic compounds were mainly scallop-type at 250 °C and were prism type at 300 °C. The prismatic Cu{sub 6}Sn{sub 5} grains grew along the three preferred directions with the inter-angles of 60° on (111) single crystal Cu pad while along two perpendicular directions on (100) single crystal Cu pad. The orientation relationship between Cu{sub 6}Sn{sub 5} grains and the single crystal Cu pads was investigated by electron backscatter diffraction technology. In addition, two types of hollowed Cu{sub 6}Sn{sub 5} intermetallic compounds were found inside the joints of polycrystalline Cu pads. The long hexagonal Cu{sub 6}Sn{sub 5} strips were observed in the joints reflowing at 250 °C while the hollowed Cu{sub 6}Sn{sub 5} strips with the ‘▪’ shape cross-sections appeared at 300 °C, which was attributed to the different grain growth rates of different Cu{sub 6}Sn{sub 5} crystal faces. - Highlights: • The orientation of interfacial Cu{sub 6}Sn{sub 5} grains was obtained by EBSD technology. • Two types of hollowed Cu{sub 6}Sn{sub 5} strips were found at different temperatures. • The

  11. Tl sub 1-x Pr sub x Sr sub 2-y Pr sub y CuO sub 5-. delta. : First member of the family TlA sub 2 Ca sub m-1 Cu sub m O sub 2m+3 (A = Ba, Sr)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bourgault, D.; Martin, C.; Michel, C.

    1989-02-01

    The synthesis, structure, and superconducting properties of the first member obtained during the investigation of the Tl-Sr-Cu-O and Tl-Sr-Pr-Cu-O systems are described. In order to check out the structural model corresponding to the first member of the series, TlSr{sub 2}Ca{sub m-1}Cu{sub m}O{sub 2m+3}, structure calculations were performed from x-ray powder data of the oxide Tl{sub 0.8}Sr{sub 1.6}Pr{sub 0.6}CuO{sub 5}. Magnetic measurements show only traces of diamagnetism for Tl{sub 0.7}Pr{sub 0.3}Sr{sub 2}CuO{sub 5-{delta}} and TlSr{sub 2}CuO{sub 5-{delta}}; however, Tl{sub 0.8}Pr{sub 0.6}Sr{sub 1.6}Cu{sub 5-{delta}} exhibits diamagnetism below 40K. 21 refs., 2 figs.

  12. {bold {ital In situ}} measurements of texture and phase development in (Bi,Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}{endash}Ag tapes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Thurston, T.R.; Haldar, P.; Wang, Y.L.

    Hard x-rays from a synchrotron source were utilized in diffraction experiments performed at elevated temperatures (up to {approximately}870{degree}C) on (Bi,Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} (Bi-2223) tapes {ital completely} encased in silver. The general behavior of the phase and texture development under typical processing conditions was determined, and the effects that several variations in processing conditions had on the phase and texture development were examined. These results and their implications for improving processing conditions are discussed. {copyright} {ital 1997 Materials Research Society.}

  13. Effects of production conditions on the properties of Cu/sub 6/PS/sub 5/Hal crystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pan'ko, V.V.; Studenyak, I.P.; D'ordyai, V.S.

    1988-06-01

    Cu/sub 6/PS/sub 5/Hal single crystals belong to the class of compounds having the argyrodite structure; they have high disordered-vacancy concentrations, so they show high ionic conductivity even at room temperature. Various values have been quoted for the conductivities of Cu/sub 6/PS/sub 5/Hal, which may be due to differing growth conditions. The authors have examined the effects of those conditions on some electrophysical and optical parameters. The crystals were grown by chemical transport reaction. Differences in Cu/sub 6/PS/sub 5/Hal production conditions were found to affect the absorption edge and broaden the exciton-impurity absorption band, whose intensity alters, as well as increasingmore » the Rayleigh flank intensity in the Raman spectrum on account of increased copper concentrations.« less

  14. Adiabatic demagnetization of the antiferromagnetic spin-1/2 Heisenberg hexagonal cluster

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Deb, Moumita, E-mail: moumitadeb44@gmail.com; Ghosh, Asim Kumar, E-mail: asimkumar96@yahoo.com

    2016-05-23

    Exact analytic expressions of eigenvalues of the antiferromagnetic spin-1/2 Heisenberg hexagon in the presence of uniform magnetic field have been obtained. Magnetization process, nature of isentrops and properties of magneto caloric effect in terms of adiabatic demagnetization have been investigated. Theoretical results have been used to study the magneto caloric effect of the spin-1/2 Heisenberg hexagonal compound Cu{sub 3}WO{sub 6}.

  15. Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Samain, Louise; Amshoff, Philipp; Biendicho, Jordi J.

    2015-07-15

    Ruddlesden–Popper n=2 member phases Sr{sub 3−x}Y{sub x}Fe{sub 1.25}Ni{sub 0.75}O{sub 7−δ}, 0≤x≤0.75, have been investigated by X-ray and neutron powder diffraction, thermogravimetry and Mössbauer spectroscopy. Both samples as-prepared at 1300 °C under N{sub 2}(g) flow and samples subsequently air-annealed at 900 °C were studied. The as-prepared x=0.75 phase is highly oxygen deficient with δ=1, the O1 atom site being vacant, and the Fe{sup 3+}/Ni{sup 2+} ions having a square pyramidal coordination. For as-prepared phases with lower x values, the Mössbauer spectral data are in good agreement with the presence of both 5- and 4-coordinated Fe{sup 3+} ions, implying in addition amore » partial occupancy of the O3 atom sites that form the basal plane of the square pyramid. The air-annealed x=0.75 sample has a δ value of 0.61(1) and the structure has Fe/Ni ions in both square pyramids and octahedra. Mössbauer spectroscopy shows the phase to contain only Fe{sup 3+}, implying that all Ni is present as Ni{sup 3+}. Air-annealed phases with lower x values are found to contain both Fe{sup 3+} and Fe{sup 4+}. For both the as-prepared and the air-annealed samples, the Y{sup 3+} cations are found to be mainly located in the perovskite block. The high-temperature thermal expansion of as-prepared and air-annealed x=0.75 phases were investigated by high-temperature X-ray diffraction and dilatometry and the linear thermal expansion coefficient determined to be 14.4 ppm K{sup −1}. Electrical conductivity measurements showed that the air-annealed samples have higher conductivity than the as-prepared ones. - Highlights: • Ruddlesden–Popper, n=2, Sr{sub 3−x}Y{sub x}Fe{sub 1.25}Ni{sub 0.75}O{sub 7−δ}, 0≤x≤0.75, have been synthesised. • The crystal structures of the phases have been determined. • Sr{sub 2.25}Y{sub 0.75}Fe{sub 1.25}Ni{sub 0.75}O{sub 6}, made in N{sub 2}(g) has Fe{sup 3+}/Ni{sup 2+} in square pyramides. • Sr{sub 2.25}Y{sub 0.75}Fe

  16. Design of High Field Solenoids made of High Temperature Superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bartalesi, Antonio; /Pisa U.

    2010-12-01

    This thesis starts from the analytical mechanical analysis of a superconducting solenoid, loaded by self generated Lorentz forces. Also, a finite element model is proposed and verified with the analytical results. To study the anisotropic behavior of a coil made by layers of superconductor and insulation, a finite element meso-mechanic model is proposed and designed. The resulting material properties are then used in the main solenoid analysis. In parallel, design work is performed as well: an existing Insert Test Facility (ITF) is adapted and structurally verified to support a coil made of YBa{sub 2}Cu{sub 3}O{sub 7}, a High Temperature Superconductormore » (HTS). Finally, a technological winding process was proposed and the required tooling is designed.« less

  17. Room temperature electrical properties of solution derived p-type Cu{sub 2}ZnSnS{sub 4} thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gupta, Goutam Kumar; Dixit, Ambesh, E-mail: ambesh@iitj.ac.in

    2016-05-06

    Electrical properties of solution processed Cu{sub 2}ZnSnS{sub 4} (CZTS) compound semiconductor thin film structures on molybdenum (Mo) coated glass substrates are investigated using Mott-Schottky and Impedance spectroscopy measurements at room temperature. These measurements are carried out in sodium sulfate (Na{sub 2}SO{sub 4}) electrolytic medium at pH ~ 9.5. The inversion/depletion/accumulation regions are clearly observed in CZTS semiconductor −Na{sub 2}SO{sub 4} electrolyte interface and measured flat band potential is ~ −0.27 V for CZTS thin film electrode. The positive slope of the depletion region confirms the intrinsic p-type characteristics of CZTS thinfilms with ~ 2.5× 10{sup 19} holes/m{sup 3}. The high frequencymore » impedance measurements showed ~ 30 Ohm electrolyte resistance for the investigated configuration.« less

  18. Effect of Fermi surface nesting on resonant spin excitations in Ba{<_1-x}K{<_x}Fe{<_2}As{<_2}.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Castellan, J.-P.; Rosenkranz, S.; Goremychkin, E.A.

    2011-01-01

    We report inelastic neutron scattering measurements of the resonant spin excitations in Ba{sub 1-x}K{sub x}Fe{sub 2}As{sub 2} over a broad range of electron band filling. The fall in the superconducting transition temperature with hole doping coincides with the magnetic excitations splitting into two incommensurate peaks because of the growing mismatch in the hole and electron Fermi surface volumes, as confirmed by a tight-binding model with s{sub {+-}}-symmetry pairing. The reduction in Fermi surface nesting is accompanied by a collapse of the resonance binding energy and its spectral weight, caused by the weakening of electron-electron correlations.

  19. NMR Characterization of Sulphur Substitution Effects in the KxFe2−ySe2−zSz High-Tc Superconductor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Petrovic C.; Torchetti, D.A.; Imai, T.

    2012-04-17

    We present a {sup 77}Se NMR study of the effect of S substitution in the high-T{sub c} superconductor K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} in a temperature range up to 250 K. We examine two S concentrations, with z = 0.8 (T{sub c} {approx} 26 K) and z = 1.6 (nonsuperconducting). The samples containing sulphur exhibit broader NMR line shapes than the K{sub x}Fe{sub 2}Se{sub 2} sample due to local disorder in the Se environment. Our Knight shift {sup 77}K data indicate that in all samples, uniform spin susceptibility decreases with temperature, and that the magnitude of the Knight shift itselfmore » decreases with increased S concentration. In addition, S substitution progressively suppresses low-frequency spin fluctuations. None of the samples exhibit an enhancement of low-frequency antiferromagnetic spin fluctuations near T{sub c} in 1/T{sub 1}T, as seen in FeSe.« less

  20. Preparation of Cu{sub 2}ZnSnSe{sub 4} solar cells by low-temperature co-evaporation and following selenization

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gao, Chao, E-mail: chao.gao@kit.edu; Hetterich, Michael; Schnabel, Thomas

    2016-01-04

    Cu{sub 2}ZnSnSe{sub 4} (CZTSe) thin films are prepared by a two-step method which involves co-evaporation of Cu, Zn, Sn, and Se on molybdenum-coated soda-lime glass at low substrate temperature and a following selenization. Solar cells with efficiencies of up to 6.5% can be achieved. The influence of the selenium deposition rates during co-evaporation and the nitrogen pressure during selenization on the properties of the CZTSe films are investigated. It is found that these two parameters can significantly affect the morphology and crystallinity of the CZTSe films. The possible reasons for the experimental results are discussed.

  1. Epoxy-encapsulated ceramic superconductor microelectrodes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gollmor, R.O.; McDevitt, J.T.; Murray, R.W.

    1989-12-01

    A procedure is outlined for fabricating well-behaved microelectrodes from ceramic pellets of YBa{sub 2}CU{sub 3}O{sub 7} and Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} which involves systematic polishing of an epoxy-encapsulated superconductror chip, under Et{sub 4}NCIO{sub 4}/acetonitrile solution, to a potentiometric end point. Voltammetry of the resulting microelectrodes in acetronitrile is illustrated and compared to that arising from alternative superconductor electrode geometries. The microelectrodes have active electrode surface areas ranging from 2 {times} 10 {sup {minus} sup 6} to 3 {times} 10 {sup {minus} sup 4}cm{sup 2}, as characterized electrochemically and microscopically. The results discussed herein are steps toward developing the methodologymore » necessary to study the electrochemical response of high temperature superconductor phases at temperatures below theirtheir superconductor critical temperature.« less

  2. Process parameters, orientation, and functional properties of melt-processed bulk Y-Ba-Cu-O superconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zakharchenko, I.V.; Terryll, K.M.; Rao, K.V.

    1995-03-01

    This study compared the microstructure, texturing, and functional properties (critical currents) of YBa{sub 2}Cu{sub 3}O{sub 7{minus}x}-based bulk pellets that were prepared by the quench-melt-growth-process (QMGP), melt-textured growth (MTG), and conventional solid-state reaction (SSR) approaches. Using two X-ray diffraction (XRD) methods, {theta}-2{theta}, and rocking curves, the authors found that the individual grains of two melt-processed pellets exhibited remarkable preferred orientational alignment (best rocking curve width = 3.2{degree}). However, the direction of the preferred orientation among the grains was random. Among the three types of bulk materials studied, the QMGP sample was found to have the best J{sub c} values, {approx} 4,500more » A/cm{sup 2} at 77 K in a field of 2 kG, as determined from SQUID magnetic data.« less

  3. Long-laser-pulse method of producing thin films

    DOEpatents

    Balooch, Mehdi; Olander, Donald K.; Russo, Richard E.

    1991-01-01

    A method of depositing thin films by means of laser vaporization employs a long-pulse laser (Nd-glass of about one millisecond duration) with a peak power density typically in the range 10.sup.5 -10.sup.6 W/cm.sup.2. The method may be used to produce high T.sub.c superconducting films of perovskite material. In one embodiment, a few hundred nanometers thick film of YBa.sub.2 Cu.sub.3 O.sub.7-x is produced on a SrTiO.sub.3 crystal substrate in one or two pulses. In situ-recrystallization and post-annealing, both at elevated temperature and in the presence of an oxidizing agen The invention described herein arose in the course of, or under, Contract No. DE-C03-76SF0098 between the United States Department of Energy and the University of California.

  4. Processing study of high temperature superconducting Y-Ba-Cu-O ceramics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Safari, A.; Wachtman, J.B. Jr.; Ward, C.

    Processing of the YBa{sub 2}Cu{sub 3}O{sub 6+x} superconducting phase by employing different precursor powder preparation techniques (ball milling, attrition milling) and samples formed by different sintering conditions are discussed. The superconducting phase has been identified by powder x-ray diffraction. The effect of different powder processing and pressing conditions on the structure, density, resistivity and a.c. magnetic susceptibility were studied. Though there is no variation in T{sub c} for all the samples, attrition milled samples show a much lower resistance and less temperature dependence compared to ball milled samples above the superconducting transition temperature up to room temperature. Ball milled samplesmore » were loosely packed with more voids compared to attrition milled samples which are more densely packed with a needle-like structure.« less

  5. Microstructure and mechanical properties of aluminium matrix composites reinforced by Al{sub 62}Cu{sub 25.5}Fe{sub 12.5} melt spun ribbon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lityńska-Dobrzyńska, Lidia, E-mail: l.litynska@imim.pl; Mitka, Mikołaj; Góral, Anna

    Aluminium matrix composites containing 15, 30 and 50 vol.% of pulverized Al{sub 62}Cu{sub 25.5}Fe{sub 12.5} (in at.%) melt spun ribbons have been prepared by a vacuum hot pressing (T = 673 K, P = 600 MPa). The microstructure of the initial ribbon and the composites was investigated using X-ray, scanning and transmission electron microscopy. In the as-spun ribbon the quasicrystalline icosahedral phase (i-phase) coexisted with the cubic copper rich β-Al(Cu, Fe) intermetallic compound. The phase composition of Al-Cu-Fe particles changed after consolidation process and the i-phase transformed partially to the ω-Al{sub 70}Cu{sub 20}Fe{sub 10} phase. Additionally, the Θ-Al{sub 2}Cu phasemore » formed at the α(Al)/Al-Cu-Fe particle interfaces. With an increase in volume fraction of the reinforcement the hardness of the composites increased up to HV = 180 for the highest amount of added particles. The ultimate compression strength of the same sample reached the value of 545 MPa. - Highlights: • Al and 15, 30, 50% of pulverized Al{sub 62}Cu{sub 25.5}Fe{sub 12.5} melt spun ribbon were consolidated. • The initial ribbon consisted of the icosahedral i-phase and copper rich β-Al(Cu, Fe). • The i-phase partially transforms to ω-Al{sub 7}Cu{sub 2}Fe phase in all composites. • Increase of microhardness and compressive strength with content of reinforcement • Ultimate compression strength 545 MPa for 50% of added particles.« less

  6. Crystal structure, oxidation state and magnetism of Sr{sub x}La{sub 2−x}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (x=1, 1.5)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lü, Minfeng, E-mail: m.f.lv@ciac.jl.cn; Deng, Xiaolong; Waerenborgh, João C.

    2014-03-15

    Sr{sub x}La{sub 2−x}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (x=1, 1.5) oxides with K{sub 2}NiF{sub 4}-type structure were prepared by solid state reaction and characterized by powder X-ray diffraction, X-ray photoelectron spectroscopy, magnetic and electrical resistivity measurements. The SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} phase was obtained for the first time with a negligible amount of impurities. The octahedral Cu/RuO{sub 6} units are more elongated in SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} than in Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} indicating a greater extent of static Jahn–Teller distortion. XPS suggests that mixed ion pairs Ru{sup 5+}/Ru{sup 4+}↔Cu{sup +}/Cu{sup 2+} are present in SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4}, whilemore » Ru remains as Ru{sup 5+} and Cu as Cu{sup 2+} in Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4}. Both samples show spin-glass behavior, which can be explained by competition between ferromagnetic and antiferromagnetic superexchange interactions. The negative Weiss temperature estimated for SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4}, −318 K, is significantly lower than −11.5 K deduced for Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} which may be related to the higher static Jahn–Teller distortion in the former oxide. -- Graphical abstract: SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} with K{sub 2}NiF{sub 4}-type structure show a larger static Jahn–Teller distortion than Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4}, which may be related to stronger antiferromagnetic superexchange interactions. Highlights: • SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} (I) larger Jahn–Teller (J–T) distortion than Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (II). • Octahedral Cu/RuO{sub 6} units are more elongated in I than in II. • Mixed ion pairs Ru{sup 5+}/Ru{sup 4+}↔Cu{sup +}/Cu{sup 2+} are present in I, while Ru remains as Ru{sup 5+} and Cu as Cu{sup 2+} in II. • Negative Weiss temperature of I significantly lower

  7. Systematic study of electronic and magnetic properties for Cu{sub 12–x}TM{sub x}Sb{sub 4}S{sub 13} (TM = Mn, Fe, Co, Ni, and Zn) tetrahedrite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Suekuni, K., E-mail: ksuekuni@hiroshima-u.ac.jp; Tomizawa, Y.; Ozaki, T.

    2014-04-14

    Substitution effects of 3d transition metal (TM) impurities on electronic and magnetic properties for Cu{sub 12}Sb{sub 4}S{sub 13} tetrahedrite are investigated by the combination of low-temperature experiments and first-principles electronic-structure calculations. The electrical resistivity for the cubic phase of Cu{sub 12}Sb{sub 4}S{sub 13} exhibits metallic behavior due to an electron-deficient character of the compound. Whereas that for 0.5 ≤ x ≤ 2.0 of Cu{sub 12−x}Ni{sub x}Sb{sub 4}S{sub 13} exhibits semiconducting behavior. The substituted Ni for Cu is in the divalent ionic state with a spin magnetic moment and creates impurity bands just above the Fermi level at the top of the valence band. Therefore,more » the semiconducting behavior of the electrical resistivity is attributed to the thermal excitation of electrons from the valence band to the impurity band. The substitution effect of TM on the electronic structure and the valency of TM for Cu{sub 11.0}TM{sub 1.0}Sb{sub 4}S{sub 13} are systematically studied by the calculation. The substituted Mn, Fe, and Co for Cu are found to be in the ionic states with the spin magnetic moments due to the large exchange splitting of the 3d bands between the minority- and majority-spin states.« less

  8. Composition dependence of the in-plane Cu-O bond-stretching LO phonon mode in YBa2Cu3O6+x

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stercil, F.; Egami, T.; Mook Jr, Herbert A

    An inelastic pulsed neutron scattering study was performed on the dependence of the dispersion and spectral intensity of the in-plane Cu-O bond-stretching LO phonon mode on doped charge density. The measurements were made in the time-of-flight mode with the multiangle position sensitive spectrometer of the ISIS facility on single crystals of YBa{sub 2}Cu{sub 3}O{sub 6+x} (x=0.15, 0.35, 0.6, 0.7, and 0.95). The focus of the study is the in-plane Cu-O bond-stretching LO phonon mode, which is known for strong electron-phonon coupling and unusual dependence on composition and temperature. It is shown that the dispersions for the samples with x=0.35, 0.6,more » and 0.7 are similar to the superposition of those for x=0.15 and 0.95 samples, and cannot be explained in terms of the structural anisotropy. It is suggested that the results are consistent with the model of nanoscale electronic phase separation, with the fraction of the phases being dependent on the doped charge density.« less

  9. Thermochemical process for recovering Cu from CuO or CuO.sub.2

    DOEpatents

    Richardson, deceased, Donald M.; Bamberger, Carlos E.

    1981-01-01

    A process for producing hydrogen comprises the step of reacting metallic Cu with Ba(OH).sub.2 in the presence of steam to produce hydrogen and BaCu.sub.2 O.sub.2. The BaCu.sub.2 O.sub.2 is reacted with H.sub.2 O to form Cu.sub.2 O and a Ba(OH).sub.2 product for recycle to the initial reaction step. Cu can be obtained from the Cu.sub.2 O product by several methods. In one embodiment the Cu.sub.2 O is reacted with HF solution to provide CuF.sub.2 and Cu. The CuF.sub.2 is reacted with H.sub.2 O to provide CuO and HF. CuO is decomposed to Cu.sub.2 O and O.sub.2. The HF, Cu and Cu.sub.2 O are recycled. In another embodiment the Cu.sub.2 O is reacted with aqueous H.sub.2 SO.sub.4 solution to provide CuSO.sub.4 solution and Cu. The CuSO.sub.4 is decomposed to CuO and SO.sub.3. The CuO is decomposed to form Cu.sub.2 O and O.sub.2. The SO.sub.3 is dissolved to form H.sub.2 SO.sub.4. H.sub.2 SO.sub.4, Cu and Cu.sub.2 O are recycled. In another embodiment Cu.sub.2 O is decomposed electrolytically to Cu and O.sub.2. In another aspect of the invention, Cu is recovered from CuO by the steps of decomposing CuO to Cu.sub.2 O and O.sub.2, reacting the Cu.sub.2 O with aqueous HF solution to produce Cu and CuF.sub.2, reacting the CuF.sub.2 with H.sub.2 O to form CuO and HF, and recycling the CuO and HF to previous reaction steps.

  10. Grain boundary misorientations and percolative current paths in high-{ital J}{sub {ital c}} powder-in-tube (Bi,Pb){sub 2}Sr{sub 3}Ca{sub 3}Cu{sub 3}O{sub {ital x}}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goyal, A.; Specht, E.D.; Kroeger, D.M.

    1995-05-22

    Grain orientations and grain boundary misorientations in high-{ital J}{sub {ital c}}, powder-in-tube (PIT) (Bi,Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub {ital x}} (Bi-2223) were determined using electron backscatter Kikuchi diffraction and x-ray microdiffraction. Data collected from over 113 spatially correlated grains, resulting in 227 grain boundaries, show that over 40% of the boundaries are {Sigma}1 or small angle (less than 15{degree}). In addition, 8% of the boundaries are within the Brandon criterion for CSLs (sigma larger than 1 and less than 50). Grain boundary ``texture maps`` derived from the electron microscope image and orientation data reveal the presence of percolative paths betweenmore » low energy boundaries.« less

  11. Dielectric and magnetic behavior of nanocrystalline Cu{sub 0.4}Co{sub 0.6}Fe{sub 2}O{sub 4} ferrite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jadoun, Priya, E-mail: priya4jadoun@gmail.com; Sharma, Jyoti; Prashant, B. L.

    2016-05-23

    The mixed copper cobalt ferrite nanoparticles (Cu{sub 0.4}Co{sub 0.6}Fe{sub 2}O{sub 4}) have been synthesized by sol-gel auto combustion route with aqueous metal nitrates and citric acid as the precursor. The crystal structure has been analyzed by X-Ray diffraction (XRD) method. XRD reveals the formation of single phase cubic spinel structure. The Scanning Electron Microscopy (SEM) is used for morphological studies. The dielectric measurements at room temperature show the decrease in dielectric constant with increasing frequency which is attributed to Maxwell Wagner model and conduction mechanism in ferrites.The magnetic measurements show ferromagnetic behavior at room temperature and large coercivity is observedmore » on cooling down the temperature to 20 K.« less

  12. Newly developed low-temperature scanning tunneling microscope and its application to the study of superconducting materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gao, F.; Dai, C.; Chen, Z.

    1994-05-01

    A newly developed scanning tunneling microscope (STM) capable of operating at room temperature, 77 K, and 4.2 K is presented. This compact STM has a highly symmetric and rigid tunneling unit designed as an integral frame except the coarse and fine adjustment parts. The tunneling unit is incorporated into a small vacuum chamber that is usually pumped down to 2[times]10[sup [minus]4] Pa to avoid water contamination. The fine mechanic adjustment makes the tip approach the sample in 5 nm steps. The coarse adjustment not only changes the distance between the tip and the sample, but also adjusts the tip tomore » be normal to the surface of the sample. With this low-temperature STM atomic resolution images of Bi-2212 single-crystal and large-scale topographies of a YBa[sub 2]Cu[sub 3]O[sub 7] thin film are observed at 77 K.« less

  13. Critical current density and irreversibility line of CuBa{sub 2}Ca{sub 3}Cu{sub 4}O{sub y}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Iyo, A.; Tokumoto, M.; Ihara, H.

    The critical current density and irreversibility line of the single-phase polycrystalline sample of CuBa{sub 2}Ca{sub 3}Cu{sub 4}O{sub y} with T{sub c}= 117 K have been estimated from measurements of magnetic hysteresis loops assuming Bean critical state model. Simple power law relations, J{sub c}{proportional_to}H{sup {minus}m}, are observed in the magnetic field dependence of the intragrain J{sub c}. Values of the intragrain J{sub c} in a magnetic field of 1 T are about 10{sup 6} and 10{sup 4} A/cm{sup 2} at temperatures of 5 and 77 K, respectively. An exponential decay of the J{sub c} with increasing temperature, J{sub c}{proportional_to}exp({minus}T/T{sub 0}), ismore » observed below 60 K. The characteristic temperature T{sub 0} of Cu-1234 is T{sub 0}= 16.1 K in a magnetic field of 1.0 T. The dependence of the J{sub c} on temperature is relatively small among the oxide superconductors. Simple power law relations, J{sub c}{proportional_to}(1{minus}T/T{sub c}){sup n}, are found in whole ranges of the temperature and magnetic field. The value of n is 5.24 for a magnetic field of 1.0 T. The irreversibility fields at 70 and 77 K are estimated to be 9.5 and 3.7 T, respectively. The temperature dependence of the H{sub irr} is fitted by H{sub irr}=a(1{minus}T/T{sub c}){sup n} with a=2130 and n=5.91.« less

  14. Effect of nanosized Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} on the transport critical current density of Bi{sub 1.6}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} superconductor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hafiz, M.; Abd-Shukor, R.

    2014-09-03

    The effects of nano-sized Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} addition on the superconducting and transport properties of Bi{sub 1.6}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} (Bi-2223) in bulk form has been investigated. Bi-2223 superconductor was fabricated using co-precipitation method and 0.01 – 0.05 wt% of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} nanoparticles with average size of 20 nm were added into the samples. The critical temperature (T{sub c}) and critical current density (J{sub c}) of the samples were measured by using the four-point probe method, while the phase formation and microstructure of the samples were examined using x-ray diffraction and SEM respectively.more » It was found that J{sub c} of all samples added with Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} were higher than non-added sample, with x = 0.01 wt. % sample showing the highest J{sub c}. This study showed that small addition of nano-Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} can effectively enhance the transport critical current density in Bi-2223 superconductor.« less

  15. Large magnetoresistance in oxide based ferromagnet/superconductor spin switches.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pena, V.; Nemes, N.; Visani, C.

    2006-01-01

    We report large magnetoresistance (in excess of 1000%) in ferromagnet / superconductor / ferromagnet structures made of La{sub 0.7}Ca{sub 0.3}MnO{sub 3} and YBa{sub 2}Cu{sub 3}O{sub 7} in the current in plane (CIP) geometry. This magnetoresistance has many of the ingredients of the giant magnetoresistance of metallic superlattices: it is independent on the angle between current and magnetic field, depends on the relative orientation of the magnetization in the ferromagnetic layers, and takes very large values. The origin is enhanced scattering at the F/S interface in the anti parallel configuration of the magnetizations. Furthermore, we examine the dependence of the magnetoresistancemore » effect on the thickness of the superconducting layer, and show that the magnetoresistance dies out for thickness in excess of 30 nm, setting a length scale for the diffusion of spin polarized quasiparticles.« less

  16. Crystallization kinetics of the Cu{sub 50}Zr{sub 50} metallic glass under isothermal conditions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gao, Qian; Jian, Zengyun, E-mail: jianzengyun@xatu.edu.cn; Xu, Junfeng

    2016-12-15

    Amorphous structure of the melt-spun Cu{sub 50}Zr{sub 50} amorphous alloy ribbons were confirmed by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HR-TEM). Isothermal crystallization kinetics of these alloy ribbons were investigated using differential scanning calorimetry (DSC). Besides, Arrhenius and Johnson-Mehl-Avrami (JMA) equations were utilized to obtain the isothermal crystallization kinetic parameters. As shown in the results, the local activation energy E{sub α} decreases by a large margin at the crystallized volume fraction α<0.1, which proves that crystallization process is increasingly easy. In addition, the local activation energy E{sub α} is basically constant at 0.1

  17. Formation of vortex line around the glass transition in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nojima, T.; Kakinuma, A.; Kuwasawa, Y.

    1996-12-01

    Two components of current-induced electric fields in ab plane, E{sub x} and E{sub y}, have been measured simultaneously on YBCO(123) films around the glass transition temperature T{sub g} in magnetic fields H with components (H{sub 0}, H{sub 0}, 0.1H{sub 0}), where x and y axes are parallel to the direction of the current density and c axis, respectively. In this condition, a finite transverse field E{sub y} almost equal to E{sub x} can be observed if the vortex lines form and move along the Lorentz force. In each H, the ratio {vert_bar}E{sub y}/E{sub x}{vert_bar} at a low current limit, whichmore » is zero far above T{sub g}, increases in the critical region and transfers to unity below T{sub g}. The authors results indicate that the vortices become lines with long range correlation along H direction at the vortex glass transition without receiving the effect of the intrinsic pinning.« less

  18. Chemical precursor impact on the properties of Cu{sub 2}ZnSnS{sub 4} absorber layer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vashistha, Indu B., E-mail: indu-139@yahoo.com; Sharma, S. K.; Sharma, Mahesh C.

    2016-04-13

    In present work impact of different chemical precursor on the deposition of solar absorber layer Cu{sub 2}ZnSnS{sub 4} (CZTS) were studied by Chemical Bath Deposition (CBD) method without using expensive vacuum facilities and followed by annealing. As compared to the other deposition methods, CBD method is interesting one because it is simple, reproducible, non-hazardous, cost effective and well suited for producing large-area thin films at low temperatures, although effect of precursors and concentration plays a vital role in the deposition. So, the central theme of this work is optimizing and controlling of chemical reactions for different chemical precursors. Further Effectmore » of different chemical precursors i.e. sulphate and chloride is analyzed by structural, morphological, optical and electrical properties. The X-ray diffraction (XRD) of annealed CZTS thin film revealed that films were polycrystalline in nature with kestarite tetragonal crystal structure. The Atomic Force micrographs (AFM) images indicated total coverage compact film and as well as growth of crystals. The band gap of annealed CZTS films was found in the range of optimal band gap by absorption spectroscopy.« less

  19. Impact of microstructure on the thermoelectric properties of the ternary compound Ce{sub 3}Cu{sub 3}Sb{sub 4}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Witas, Piotr, E-mail: pwitas@us.edu.pl

    We present detailed structural and thermoelectric studies of the ternary compound Ce{sub 3}Cu{sub 3}Sb{sub 4}. This material is of interest due to previously reported considerable thermopower above room temperature (∼ 100 μV/K) and low thermal conductivity (2 W/(m K)). Here, we present detailed studies concerning microstructural and thermoelectric data, their variation across the samples and possible explanations for the observed behaviour. We have used X-ray diffraction, scanning electron microscopy (SEM), and time-of-flight secondary ion mass spectrometry (TOF-SIMS) for microstructural analysis. The thermoelectric properties were examined using a physical property measurement system (PPMS). We analyse the impact of the sample qualitymore » on the thermoelectric properties. The most unstable parameter is the material resistivity which varies between 1.5 and 15 mΩ cm at room temperature. The properties variability is mainly due to structural defects caused by stresses during material preparation and also due to formation of foreign phases CeCuSb{sub 2} and CeSb. The figure of merit ZT is also strongly dependent on the quality of the sample. The largest value ZT ≈ 0.15 at 400 K is determined for the almost stoichiometric sample with small amounts of a impurity phases. - Highlights: •The Ce{sub 3}Cu{sub 3}Sb{sub 4} has considerable thermoelectric properties and potential for further chemical and/or structural modification. •The control over foreign phases formation is challenging. •The defects arising during arc melting process highly deteriorate ZT of material.« less

  20. Investigation of blister formation in sputtered Cu{sub 2}ZnSnS{sub 4} absorbers for thin film solar cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bras, Patrice, E-mail: patrice.bras@angstrom.uu.se; Sterner, Jan; Platzer-Björkman, Charlotte

    2015-11-15

    Blister formation in Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films sputtered from a quaternary compound target is investigated. While the thin film structure, composition, and substrate material are not correlated to the blister formation, a strong link between sputtering gas entrapment, in this case argon, and blistering effect is found. It is shown that argon is trapped in the film during sputtering and migrates to locally form blisters during the high temperature annealing. Blister formation in CZTS absorbers is detrimental for thin film solar cell fabrication causing partial peeling of the absorber layer and potential shunt paths in the complete device.more » Reduced sputtering gas entrapment, and blister formation, is seen for higher sputtering pressure, higher substrate temperature, and change of sputtering gas to larger atoms. This is all in accordance with previous publications on blister formation caused by sputtering gas entrapment in other materials.« less

  1. Quaternary M{sub 0.25}Cu{sub 0.25}Mg{sub 0.5}Fe{sub 2}O{sub 4} (M = Ni, Zn, Co, Mn) ferrite oxides: Synthesis, characterization and magnetic properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ciocarlan, Radu George; Laboratory of Adsorption and Catalysis, Department of Chemistry, University of Antwerpen; Pui, Aurel, E-mail: aurel@uaic.ro

    2016-09-15

    Highlights: • Superparamagnetic quaternary nanoferrite (M{sub 0.25}Cu{sub 0.25}Mg{sub 0.5}Fe{sub 2}O{sub 4,} where M = Mn, Zn, Co, Ni) were obtained. • C, O, H and metals were observed by XPS analysis. • Phases purity were confirmed by XRD diffraction and crystallite size (3–10 nm) were determind. - Abstract: We report the synthesis of M{sub 0.25}Cu{sub 0.25}Mg{sub 0.5}Fe{sub 2}O{sub 4} (where M = Mn, Zn, Co, Ni) nanoparticles using the coprecipitation method in the presence of carboxymethyl cellulose (CMC) as the in-situ surfactant. The crystalline structure and surface morphology were examined by means of X-ray diffraction (XRD) and scanning electron microscopymore » (SEM) and it was established that the average diameter of the magnetic nanoparticles (MNPs) is in the range of 3–10 nm. X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) show that the MNPs are activated by the hydrophilic groups of the surfactant, which coat them and enhance their stability. The vibrating sample magnetometry measurements show the superparamagnetic behavior of the nanoparticles. Due to their small crystallite size, which implies large surface area, and their functionalization with organic groups, the obtained nanoparticles could have medical and catalytic applications.« less

  2. The solubility and site preference of Fe{sup 3+} in Li{sub 7−3x}Fe{sub x}La{sub 3}Zr{sub 2}O{sub 12} garnets

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rettenwander, D., E-mail: daniel.rettenwander@sbg.ac.at; Geiger, C.A.; Tribus, M.

    2015-10-15

    A series of Fe{sup 3+}-bearing Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZO) garnets was synthesized using solid-state synthesis methods. The synthetic products were characterized compositionally using electron microprobe analysis and inductively coupled plasma optical emission spectroscopy (ICP-OES) and structurally using X-ray powder diffraction and {sup 57}Fe Mössbauer spectroscopy. A maximum of about 0.25 Fe{sup 3+} pfu could be incorporated in Li{sub 7−3x}Fe{sub x}La{sub 3}Zr{sub 2}O{sub 12} garnet solid solutions. At Fe{sup 3+} concentrations lower than about 0.16 pfu, both tetragonal and cubic garnets were obtained in the synthesis experiments. X-ray powder diffraction analysis showed only a garnet phase for syntheses withmore » starting materials having intended Fe{sup 3+} contents lower than 0.52 Fe{sup 3+} pfu. Back-scattered electron images made with an electron microprobe also showed no phase other than garnet for these compositions. The lattice parameter, a{sub 0}, for all solid-solution garnets is similar with a value of a{sub 0}≈12.98 Å regardless of the amount of Fe{sup 3+}. {sup 57}Fe Mössbauer spectroscopic measurements indicate the presence of poorly- or nano-crystalline FeLaO{sub 3} in syntheses with Fe{sup 3+} contents greater than 0.16 Fe{sup 3+} pfu. The composition of different phase pure Li{sub 7−3x}Fe{sub x}La{sub 3}Zr{sub 2}O{sub 12} garnets, as determined by electron microprobe (Fe, La, Zr) and ICP-OES (Li) measurements, give Li{sub 6.89}Fe{sub 0.03}La{sub 3.05}Zr{sub 2.01}O{sub 12}, Li{sub 6.66}Fe{sub 0.06}La{sub 3.06}Zr{sub 2.01}O{sub 12}, Li{sub 6.54}Fe{sub 0.12}La{sub 3.01}Zr{sub 1.98}O{sub 12}, and Li{sub 6.19}Fe{sub 0.19}La{sub 3.02}Zr{sub 2.04}O{sub 12}. The {sup 57}Fe Mössbauer spectrum of cubic Li{sub 6.54}Fe{sub 0.12}La{sub 3.01}Zr{sub 1.98}O{sub 12} garnet indicates that most Fe{sup 3+} occurs at the special crystallographic 24d position, which is the standard tetrahedrally coordinated site in garnet. Fe{sup 3+} in

  3. Solvothermal syntheses and characterization of three new silver(I)/copper(I)-thioarsenates based on As{sup 2+}/As{sup 3+} ions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yao, Hua-Gang, E-mail: hgyao@gdpu.edu.cn; Guangdong Cosmetics Engineering & Technology Research Center, Zhongshan 528458; Tang, Cheng-Fei

    2017-02-15

    Three new silver(I)/copper(I)-thioarsenates KAgAs{sup II}S{sub 2} (1), RbCu{sub 2}As{sup III}S{sub 3} (2) and RbCu{sub 4}As{sup III}S{sub 4} (3) have been solvothermally synthesized and structurally characterized. 1 exhibits a two-dimensional anionic network built up by As−As bond connecting the left- and right-handed helical [AgS{sub 2}]{sup 4−} chains, and represents the first examples of thioarsenates(II). The structure of 2 consists of two kinds of helical [Cu{sub 2}S{sub 3}]{sup 4–} chains linked by the arsenic atoms to form double layers with rubidium ions between the layers. Compound 3 is built up of infinite [Cu{sub 2}S{sub 2}]{sup 2–} chain and layered [Cu{sub 6}As{sub 2}S{submore » 6}] linked to form a three-dimensional anionic framework, [Cu{sub 4}AsS{sub 4}]{sup –}, and containing channels in which the rubidium cations reside. The optical properties of 1–3 have been investigated by UV–vis spectroscopy. - Graphical abstract: Three new silver(I)/copper(I)-thioarsenates have been solvothermally synthesized and structurally characterized. 1 represents the first examples of thioarsenates(II) while compounds 2 and 3 possess noncondensed pyramidal AsS{sub 3}{sup 3–} unit.« less

  4. Preferential orientation of metal oxide superconducting materials by mechanical means

    DOEpatents

    Capone, Donald W.

    1990-01-01

    A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0<.times.<0.5) is capable of accommodating very large current densities. By aligning the two-dimensional Cu--O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the metal oxide material to accommodate high current densities. The orthorhombic crystalline particles have a tendency to lie down on one of the longer sides, i.e., on the a- or b-direction. Aligning the crystals in this orientation is accomplished by mechanical working of the material such as by extrusion, tape casting or slip casting, provided a single crystal powder is used as a starting material, to provide a highly oriented, e.g., approximately 90% of the crystal particles have a common orientation, superconducting matrix capable of supporting large current densities.

  5. Acoustic plane wave preferential orientation of metal oxide superconducting materials

    DOEpatents

    Tolt, Thomas L.; Poeppel, Roger B.

    1991-01-01

    A polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0

  6. Structural features and the microscopic dynamics of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system: Equilibrium melt, supercooled melt, and amorphous alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khusnutdinoff, R. M., E-mail: khrm@mail.ru; Mokshin, A. V., E-mail: anatolii.mokshin@mail.ru; Klumov, B. A.

    2016-08-15

    The structural and dynamic properties of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system are subjected to a molecular dynamics simulation in the temperature range T = 250–3000 K at a pressure p = 1.0 bar. The temperature dependences of the Wendt–Abraham parameter and the translation order parameter are used to determine the glass transition temperature in the Zr{sub 47}Cu{sub 46}Al{sub 7} system, which is found to be T{sub c} ≈ 750 K. It is found that the bulk amorphous Zr{sub 47}Cu{sub 46}Al{sub 7} alloy contains localized regions with an ordered atomic structures. Cluster analysis of configuration simulation data reveals themore » existence of quasi-icosahedral clusters in amorphous metallic Zr–Cu–Al alloys. The spectral densities of time radial distribution functions of the longitudinal (C̃{sub L}(k, ω)) and transverse (C̃{sub T}(k, ω)) fluxes are calculated in a wide wavenumber range in order to study the mechanisms of formation of atomic collective excitations in the Zr{sub 47}Cu{sub 46}Al{sub 7} system. It was found that a linear combination of three Gaussian functions is sufficient to reproduce the (C̃{sub L}(k, ω)) spectra, whereas at least four Gaussian contributions are necessary to exactly describe the (C̃{sub T}(k, ω)) spectra of the supercooled melt and the amorphous metallic alloy. It is shown that the collective atomic excitations in the equilibrium melt at T = 3000 K and in the amorphous metallic alloy at T = 250 K are characterized by two dispersion acoustic-like branches related with longitudinal and transverse polarizations.« less

  7. Method of manufacture of single phase ceramic superconductors

    DOEpatents

    Singh, J.P.; Poeppel, R.B.; Goretta, K.C.; Chen, N.

    1995-03-28

    A ceramic superconductor is produced by close control of oxygen partial pressure during sintering of the material. The resulting microstructure of YBa{sub 2}Cu{sub 3}O{sub x} indicates that sintering kinetics are enhanced at reduced p(O{sub 2}) and that because of second phase precipitates, grain growth is prevented. The density of specimens sintered at 910 C increased from 79 to 94% theoretical when p(O{sub 2}) was decreased from 0.1 to 0.0001 MPa. The increase in density with decrease in p(O{sub 2}) derives from enhanced sintering kinetics, due to increased defect concentration and decreased activation energy of the rate-controlling species undergoing diffusion. Sintering at 910 C resulted in a fine-grain microstructure, with an average grain size of about 4 {mu}m. Post sintering annealing in a region of stability for the desired phase converts the second phases and limits grain growth. The method of pinning grain boundaries by small scale decompositive products and then annealing to convert its product to the desired phase can be used for other complex asides. Such a microstructure results in reduced microcracking, strengths as high as 230 MPa and high critical current density capacity. 25 figures.

  8. Method of manufacture of single phase ceramic superconductors

    DOEpatents

    Singh, Jitrenda P.; Poeppel, Roger B.; Goretta, Kenneth C.; Chen, Nan

    1995-01-01

    A ceramic superconductor is produced by close control of oxygen partial pressure during sintering of the material. The resulting microstructure of YBa.sub.2 Cu.sub.3 O.sub.x indicates that sintering kinetics are enhanced at reduced p(O.sub.2) and that because of second phase precipitates, grain growth is prevented. The density of specimens sintered at 910.degree. C. increased from 79 to 94% theoretical when p(O.sub.2) was decreased from 0.1 to 0.0001 MPa. The increase in density with decrease in p(O.sub.2) derives from enhanced sintering kinetics, due to increased defect concentration and decreased activation energy of the rate-controlling species undergoing diffusion. Sintering at 910.degree. C resulted in a fine-grain microstructure, with an average grain size of about 4 .mu.m. Post sintering annealing in a region of stability for the desired phase converts the second phases and limits grain growth. The method of pinning grain boundaries by small scale decompositive products and then annealing to convert its product to the desired phase can be used for other complex asides. Such a microstructure results in reduced microcracking, strengths as high as 230 MPa and high critical current density capacity.

  9. Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3−δ} (Me = Fe, Mn)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Niwa, Eiki, E-mail: e-niwa@phys.chs.nihon-u.ac.jp; Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550; Maeda, Hiroki

    Graphical abstract: Compositional dependence of (a) electrical conductivity and (b) E{sub a} for hopping conduction of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn). - Highlights: • Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn) was investigated. • Hopping conduction model could be applied for conductivity of both specimens. • The difference of E{sub a} due to that of energy level of Fe and Mn was observed. • Hole concentration estimated by iodimetry increases with increasing Ni content. - Abstract: Electrical conduction mechanism of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} expected as Sr-freemore » new cathode material for solid oxide fuel cells was analyzed. Electrical conduction behaviors of both specimens could be well fitted by small polaron hopping conduction model. The electrical conductivity of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} increased with increasing Ni content, showing agreement with decrease of activation energy for hopping conduction. The decrease of electrical conductivity and increase of activation energy of LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} were observed with increasing Ni content for 0.0 ≤ x ≤ 0.4. Further Ni substitution increased electrical conductivity and decreased activation energy for 0.4 ≤ x ≤ 0.6. It was revealed using iodometry that the difference of hole carrier density between LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} was small. It was suspected that the origin of the difference of electrical conduction behavior of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1-x}O{sub 3+δ} was difference of energy level of e{sub g} band composed of Fe 3d or Mn 3d orbitals and their overlapping quantity with O 2p and Ni 3d band.« less

  10. Low-cost spray-processed Ag{sub 1−x}Cu{sub x}InS{sub 2} nano-films: Structural and functional investigation within the Lattice Compatibility Theory framework

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gherouel, D.; Yumak, A.; Znaidi, M.

    Highlights: • Cu{sub x}Ag{sub 1−x}InS{sub 2} with a minimal lattice mismatch between absorbers and buffers. • The lattice compatibility for understanding silver–copper kinetics. • Controlled and enhanced spray pyrolisis method as a low-cost synthesis protocol. - Abstract: This work deals with some structural and optical investigations about Cu{sub x}Ag{sub 1−x}InS{sub 2} alloys sprayed films and the beneficial effect of copper incorporation in AgInS{sub 2} ternary matrices. The main purpose of this work is to obtain the band gap energy E{sub g} as well as different lattice parameters. The studied properties led to reaching minimum of lattice mismatch between absorber andmore » buffer layers within solar cell devices. As a principal and original finding, the lattice compatibility between both silver and copper indium disulfide structures has been proposed as a guide for understanding kinetics of these materials crystallization.« less

  11. Validity of the Néel-Arrhenius model for highly anisotropic Co{sub x}Fe{sub 3−x}O{sub 4} nanoparticles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Torres, T. E.; Ibarra, M. R.; Departamento de Física de la Materia Condensada, Facultad de Ciencias, Universidad de Zaragoza, 50009 Zaragoza

    2015-11-14

    We report a systematic study on the structural and magnetic properties of Co{sub x}Fe{sub 3−x}O{sub 4} magnetic nanoparticles with sizes between 5 and 25 nm, prepared by thermal decomposition of Fe(acac){sub 3} and Co(acac){sub 2}. The large magneto-crystalline anisotropy of the synthesized particles resulted in high blocking temperatures (42 K < T{sub B} < 345 K for 5 < d < 13 nm) and large coercive fields (H{sub C} ≈ 1600 kA/m for T = 5 K). The smallest particles (〈d〉=5 nm) revealed the existence of a magnetically hard, spin-disordered surface. The thermal dependence of static and dynamic magnetic properties of the whole series of samples could be explained within the Neel–Arrhenius relaxation framework by including the thermal dependencemore » of the magnetocrystalline anisotropy constant K{sub 1}(T), without the need of ad-hoc corrections. This approach, using the empirical Brükhatov-Kirensky relation, provided K{sub 1}(0) values very similar to the bulk material from either static or dynamic magnetic measurements, as well as realistic values for the response times (τ{sub 0} ≈ 10{sup −10}s). Deviations from the bulk anisotropy values found for the smallest particles could be qualitatively explained based on Zener's relation between K{sub 1}(T) and M(T)« less

  12. Synthesis and characterization of La{sub 0.6}Sr{sub 0.4}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−δ} oxide as cathode for Intermediate Temperature Solid Oxide Fuel Cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vázquez, Santiago; Davyt, Sebastián; Basbus, Juan F.

    2015-08-15

    Nanocrystalline La{sub 0.6}Sr{sub 0.4}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−δ} (LSFCu) material was synthetized by combustion method using EDTA as fuel/chelating agent and NH{sub 4}NO{sub 3} as combustion promoter. Structural characterization using thermodiffraction data allowed to determine a reversible phase transition at 425 °C from a low temperature R-3c phase to a high temperature Pm-3m phase and to calculate the thermal expansion coefficient (TEC) of both phases. Important characteristics for cathode application as electronic conductivity and chemical compatibility with Ce{sub 0.9}Gd{sub 0.1}O{sub 2−δ} (CGO) electrolyte were evaluated. LSFCu presented a p-type conductor behavior with maximum conductivity of 135 S cm{sup −1} at 275more » °C and showed a good stability with CGO electrolyte at high temperatures. This work confirmed that as prepared LSFCu has excellent microstructural characteristics and an electrical conductivity between 100 and 60 S cm{sup −1} in the 500–700 °C range which is sufficiently high to work as intermediate temperature Solid Oxide Fuel Cells (IT-SOFCs) cathode. However a change in the thermal expansion coefficient consistent with a small oxygen loss process may affect the electrode-electrolyte interface during fabrication and operation of a SOFC. - Graphical abstract: Nanocrystalline La{sub 0.6}Sr{sub 0.4}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−δ} was prepared by gel combustion and characterized by X-ray thermodiffraction and its conductivity was determined. The phase shows a reversible rhombohedral to cubic structural phase transition at 425 °C and a semiconductor to metallic phase transition at 275 °C. - Highlights: • LSFCu was prepared by gel combustion route using EDTA and NH{sub 4}NO{sub 3}. • LSFCu shows a reversible phase transition at 425 °C from R-3c to Pm-3m phase. • The sample has a maximum conductivity value of 135 S cm{sup −1} at 275 °C. • LSFCu shows a good chemical compatibility with CGO at 900 °C.« less

  13. Direct measurements of irradiation-induced creep in micropillars of amorphous Cu{sub 56}Ti{sub 38}Ag{sub 6}, Zr{sub 52}Ni{sub 48}, Si, and SiO{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Özerinç, Sezer; Kim, Hoe Joon; Averback, Robert S.

    2015-01-14

    We report in situ measurements of irradiation-induced creep on amorphous (a-) Cu{sub 56}Ti{sub 38}Ag{sub 6}, Zr{sub 52}Ni{sub 48}, Si, and SiO{sub 2}. Micropillars 1 μm in diameter and 2 μm in height were irradiated with ∼2 MeV heavy ions during uniaxial compression at room temperature. The creep measurements were performed using a custom mechanical testing apparatus utilizing a nanopositioner, a silicon beam transducer, and an interferometric laser displacement sensor. We observed Newtonian flow in all tested materials. For a-Cu{sub 56}Ti{sub 38}Ag{sub 6}, a-Zr{sub 52}Ni{sub 48}, a-Si, and Kr{sup +} irradiated a-SiO{sub 2} irradiation-induced fluidities were found to be nearly the same, ≈3 GPa{sup −1}more » dpa{sup −1}, whereas for Ne{sup +} irradiated a-SiO{sub 2} the fluidity was much higher, 83 GPa{sup −1} dpa{sup −1}. A fluidity of 3 GPa{sup −1} dpa{sup −1} can be explained by point-defect mediated plastic flow induced by nuclear collisions. The fluidity of a-SiO{sub 2} can also be explained by this model when nuclear stopping dominates the energy loss, but when the electronic stopping exceeds 1 keV/nm, stress relaxation in thermal spikes also contributes to the fluidity.« less

  14. Reduced interface recombination in Cu{sub 2}ZnSnS{sub 4} solar cells with atomic layer deposition Zn{sub 1−x}Sn{sub x}O{sub y} buffer layers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Platzer-Björkman, C.; Frisk, C.; Larsen, J. K.

    2015-12-14

    Cu{sub 2}ZnSnS{sub 4} (CZTS) solar cells typically include a CdS buffer layer in between the CZTS and ZnO front contact. For sulfide CZTS, with a bandgap around 1.5 eV, the band alignment between CZTS and CdS is not ideal (“cliff-like”), which enhances interface recombination. In this work, we show how a Zn{sub 1−x}Sn{sub x}O{sub y} (ZTO) buffer layer can replace CdS, resulting in improved open circuit voltages (V{sub oc}) for CZTS devices. The ZTO is deposited by atomic layer deposition (ALD), with a process previously developed for Cu(In,Ga)Se{sub 2} solar cells. By varying the ALD process temperature, the position of themore » conduction band minimum of the ZTO is varied in relation to that of CZTS. A ZTO process at 95 °C is found to give higher V{sub oc} and efficiency as compared with the CdS reference devices. For a ZTO process at 120 °C, where the conduction band alignment is expected to be the same as for CdS, the V{sub oc} and efficiency is similar to the CdS reference. Further increase in conduction band minimum by lowering the deposition temperature to 80 °C shows blocking of forward current and reduced fill factor, consistent with barrier formation at the junction. Temperature-dependent current voltage analysis gives an activation energy for recombination of 1.36 eV for the best ZTO device compared with 0.98 eV for CdS. We argue that the V{sub oc} of the best ZTO devices is limited by bulk recombination, in agreement with a room temperature photoluminescence peak at around 1.3 eV for both devices, while the CdS device is limited by interface recombination.« less

  15. Comprehensive methods to enhance the electrochemical performances of LiFe{sub 0.94}Mg{sub 0.03}Cu{sub 0.03}PO{sub 4}/C cathode for lithium ion batteries

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fan, Chang-ling, E-mail: clfanhd@yahoo.com.cn; Zhang, Ke-he; Han, Shao-chang

    2013-07-15

    Graphical abstract: Relationships between the conductivities of LFPC-2 cathode and the volume percentages of AB (a) and PAn (b). - Highlights: • LiFe{sub 0.94}Mg{sub 0.03}Cu{sub 0.03}PO{sub 4}/C is synthesized by adding glucose with two-step method. • Conductive polymer polyaniline is used to replace acetylene black. • The content of conductive additive is optimized by the percolation theory. • LFPC-2 cathode containing polyaniline possesses the excellent performance. - Abstract: Comprehensive methods were utilized to improve the electrochemical performances of LiFe{sub 0.94}Mg{sub 0.03}Cu{sub 0.03}PO{sub 4}/C (LFPC) composite cathode. Experimental results show that LFPC-2, prepared by adding glucose in two steps, possesses themore » effective incorporated of doping ions and well-distributed pyrolysis carbon. It possesses higher conductivity and discharge capacity. The percolation theory analysis shows that the conductivity of LFPC-2 cathode film reaches its maximum value at the mass content of 15 wt.%. The replacement of acetylene black with polyaniline can greatly improve the electrochemical performances of LFPC-2 cathode. Its discharge capacity is 85.3 mAh g{sup −1} and its potential platform is as high as 3.2 V at the current density of 850 mA g{sup −1} when 15 wt.% polyaniline is used. The cycle performance of LFPC-2 is improved when polyaniline is used as conductive additives. And the change of charge transfer resistance of LFPC-2 cathode containing polyaniline is very small after 24 cycles.« less

  16. The effect of milling time on the synthesis of Cu{sub 54}Mg{sub 22}Ti{sub 18}Ni{sub 6} alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kursun, C., E-mail: celalkursun@ksu.edu.tr; Gogebakan, M., E-mail: gogebakan@ksu.edu.tr

    In the present work, nanocrystalline Cu{sub 54}Mg{sub 22}Ti{sub 18}Ni{sub 6} alloy was produced by mechanical alloying from mixtures of pure crystalline Cu, Mg, Ti and Ni powders using a Fritsch planetary ball mill with a ball to powder ratio of 10:1. Morphological changes, microstructural evolution and thermal behaviour of the Cu-Mg-Ti-Ni powders at different stages of milling were characterised by X-ray diffraction (XRD), scanning electron microscopy with energy-dispersive X-ray detection (SEM/EDX) and differential thermal analysis (DTA). This alloy resulted in formation of single phase solid solution with FCC structure α-Cu (Mg, Ti, Ni) after 80 h of milling. In the initialmore » stage of milling different sized and shaped elemental powders became uniform during mechanical alloying. The homogeneity of the Cu{sub 54}Mg{sub 22}Ti{sub 18}Ni{sub 6} alloy increased with increasing milling time. The EDX result also confirmed the compositional homogeneity of the powder alloy. The crystallite size of alloy was calculated below 10 nm from XRD data.« less

  17. Resistivity and magnetic susceptibility studies of Tl[sub m]Ca[sub n[minus]1]Ba[sub 2]Cu[sub n]O[sub y] before and after doping with LiF

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    El-Hamalawy, A.A.; El-Zaidia, M.M.; Ammar, A.A.

    1993-04-01

    Measurements of the superconducting resistance as a function of temperature were performed using the conventional four-probe method. The transition to complete superconductivity was recorded for samples of (Tl[sub 2]Ca[sub 2]Ba[sub 2]Cu[sub 3]O[sub 10])[sub 100[minus]x]LiF[sub x] (2223) mixed with different LiF ratios x = 0, 2, 4, 5, 6, 8, 10, and 12wt.%. It was found that the transition temperature T[sub c] was increased up to 5 wt.% of LiF. Further addition of LiF decreases T[sub c]. Therefore, 5 wt.% LiF is the optimum concentration giving a transition temperature of 130 K. Measurements of the superconducting resistance of all the samplesmore » except the (1111) compound show that the addition of 5 wt.% LiF increases T[sub c] and decreases the metastable phases. The real part of the a.c. magnetic susceptibility [chi][sub a.c.] is studied using a zero-field cooled mechanism. The temperature dependence of [chi][sub a.c.] for the prepared TlBaCaCuO having stoichiometric composition of (1111), (2223), (2234), and (3245) and that after doping with 5 wt.% LiF showed a broad feature. The transition to the complete diamagnetic state takes place in a broad transition region containing many transition steps, indicating the presence of metastable phases. The addition of LiF decreases the fluctuation in the transition region and its effect in reducing the number of multiphases. 29 refs., 10 refs.« less

  18. Mechanics of Individual, Isolated Vortices in a Cuprate Superconductor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Auslaender, M.

    2010-05-25

    Superconductors often contain quantized microscopic whirlpools of electrons, called vortices, that can be modeled as one-dimensional elastic objects. Vortices are a diverse playground for condensed matter because of the interplay between thermal fluctuations, vortex-vortex interactions, and the interaction of the vortex core with the three-dimensional disorder landscape. While vortex matter has been studied extensively, the static and dynamic properties of an individual vortex have not. Here we employ magnetic force microscopy (MFM) to image and manipulate individual vortices in detwinned, single crystal YBa{sub 2}Cu{sub 3}O{sub 6.991} (YBCO), directly measuring the interaction of a moving vortex with the local disorder potential.more » We find an unexpected and dramatic enhancement of the response of a vortex to pulling when we wiggle it transversely. In addition, we find enhanced vortex pinning anisotropy that suggests clustering of oxygen vacancies in our sample and demonstrates the power of MFM to probe vortex structure and microscopic defects that cause pinning.« less

  19. Preferential orientation of metal oxide superconducting materials by mechanical means

    DOEpatents

    Capone, D.W.

    1990-11-27

    A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) is capable of accommodating very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the metal oxide material to accommodate high current densities. The orthorhombic crystalline particles have a tendency to lie down on one of the longer sides, i.e., on the a- or b-direction. Aligning the crystals in this orientation is accomplished by mechanical working of the material such as by extrusion, tape casting or slip casting, provided a single crystal powder is used as a starting material, to provide a highly oriented, e.g., approximately 90% of the crystal particles have a common orientation, superconducting matrix capable of supporting large current densities. 3 figs.

  20. Magnetic preferential orientation of metal oxide superconducting materials

    DOEpatents

    Capone, D.W.; Dunlap, B.D.; Veal, B.W.

    1990-07-17

    A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) exhibits superconducting properties and is capable of conducting very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the conduction of high current densities. The highly anisotropic diamagnetic susceptibility of the polycrystalline metal oxide material permits the use of an applied magnetic field to orient the individual crystals when in the superconducting state to substantially increase current transport between adjacent grains. In another embodiment, the anisotropic paramagnetic susceptibility of rare-earth ions substituted into the oxide material is made use of as an applied magnetic field orients the particles in a preferential direction. This latter operation can be performed with the material in the normal (non-superconducting) state. 4 figs.

  1. Magnetic preferential orientation of metal oxide superconducting materials

    DOEpatents

    Capone, Donald W.; Dunlap, Bobby D.; Veal, Boyd W.

    1990-01-01

    A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0

  2. Synchrotron x-ray scattering measurements of bulk structural properties in superconducting (Bi,Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}{endash}Ag tapes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Thurston, T.R.; Wildgruber, U.; Jisrawi, N.

    The structural properties of superconducting (Bi,Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10}{endash}Ag (2223) tapes have been measured using synchrotron x-ray scattering techniques. The x-ray photon energy was tuned just below the silver {ital K} absorption edge so the penetration depth was large, which allowed the measurements to be performed in a transmission geometry without removing the silver cladding. Analysis of the peaks in 2{theta} scans indicates that residual (Bi,Pb){sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} (2212) superconductor starting material is present in all samples studied. The amount of 2212 varied widely among the tapes, and was not homogeneous along the length of eachmore » individual tape. Residual 2212 content increased near the ends of most samples, suggesting that 2223 phase development is sensitive to whether the superconducting material is encased in silver or not. The bulk {ital c}-axis alignment was measured in {approximately}100 mono- and multifilament samples, and correlations between {ital c}-axis alignment and current carrying capacity at 77 K were found. Multifilament samples generally had better alignment than monofilament samples. The {ital c}-axis alignment along the length of the tapes was uniform, and the superconducting material within {approximately}1 {mu}m of the Ag was better textured than the bulk of the sample. Intermediate pressings were directly shown to have an adverse affect on {ital c}-axis alignment. Finally, the evolution of texture and phase development was examined in a series of samples annealed for varying times. The 2212 starting material acquired the final {ital c}-axis alignment state after brief heating times, and only after much longer heating times did the 2212 transform into the 2223 phase. These results and their implications for improving processing procedures are discussed. {copyright} {ital 1996 American Institute of Physics.}« less

  3. A new structure related to the layered cuprates: The {open_quotes}1201{angstrom} shear-like phase Tl{sub 5}Ba{sub 3}Sr{sub 5}Cu{sub 3}O{sub 19}, third member of the series (TlA{sub 2}CuO{sub 5}){sub m}{center_dot}Tl{sub 2}A{sub 2}O{sub 4}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Letouze, F.; Martin, C.; Hervieu, M.

    1997-01-01

    A thallium cuprate, Tl{sub 5}Ba{sub 3}Sr{sub 5}Cu{sub 3}O{sub 19}, whose structure can be derived by systematically shearing the {open_quotes}1201{close_quotes} structure has been synthesized for the first time. It crystallizes in an orthorhombic cell with a=3.7536(2) {angstrom}, b=30.631(2) {angstrom}, c=9.219(1) {angstrom}, and A-type symmetry. This new structure consists of {open_quotes}1201{close_quotes} ribbons parallel to (010) which are three CuO{sub 6} octahedra wide and are interconnected through {open_quotes}Tl{sub 2}A{sub 2}O{sub 4}{close_quotes} ribbons whose cationic configuration is that of the rock salt structure. This phase can be considered to be the m = 3 member of a new series with the generic formulation (TlA{submore » 2}CuO{sub 5}){sub m} {center_dot} Tl{sub 2}A{sub 2}O{sub 4} with A = Ba, Sr.« less

  4. (abstract) Undercooling Studies of the Bulk Metallic Glass Forming Zr(sub 41.2)Ti(sub 13.8)Cu(sub 12.5)Ni(sub 10.0)Be(sub 22.5) Alloy During Containerless Electrostatic Levitation Processing

    NASA Technical Reports Server (NTRS)

    Kim, Y. J.; Busch, R.; Johnson, W. L.; Rulison, A. J.; Rhim, W. K.

    1995-01-01

    Bulk glass forming metallic alloys have long been desired for technological applications and for investigation into liquid undercooling, solidification processes, and thermophysical properties. A glass forming alloy Zr(sub 41.2)Ti(sub 13.8)Cu(sub 12.5)Ni(sub 10.0)Be(sub 22.5) was used to investigate the thermal treatments affecting undercooling and vitrification. The experiments were performed using the high temperature high vacuum electrostatic levitator at JPL. A sample approximately 3 mm in diameter was melted, superheated, undercooled, and solidified while levitated in high vacuum. The results show that when the sample was held above its melting temperature for a sufficient period of time to dissolve oxides and then cooled faster than a critical cooling rate, it undercooled to the glass transition temperature, T(sub g), and formed a glassy alloy. The required critical cooling rate for metallic glass formation was obtained to be between 0.9 K per second and 1.2 K per second for the 42.4 mg sample.

  5. Nanoscale morphology of Ni{sub 50}Ti{sub 45}Cu{sub 5} nanoglass

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Śniadecki, Z., E-mail: sniadecki@ifmpan.poznan.pl; Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen; Wang, D.

    2016-03-15

    Nanoglasses are noncrystalline solids with a granular nano-/microstructure. In contrast to their nanocrystalline analogs, typically constituted of grains and grain boundaries, nanoglasses consist of glassy regions with a structure corresponding to melt-quenched glasses and amorphous interfaces characterized by a reduced density. Their unique properties can be controlled by modifying size and chemical composition of the granular and interfacial regions. Ni{sub 50}Ti{sub 45}Cu{sub 5} amorphous films were obtained by magnetron sputtering and analyzed to determine their nanoscale morphology and the formation mechanisms. The nanoglasses were noted to have a hierarchical nano-columnar structure with the smallest Ni-rich (Ni:Ti ratio of ca. 5:3)more » amorphous columns with diameters of about 8 nm and Ti-rich glassy interfacial regions with a substantially lower density. The results were obtained utilizing X-ray diffraction and different microscopic methods, e.g., atomic force microscopy and transmission electron microscopy. A detailed analysis indicates the complexity of the formation mechanisms of topologically and chemically distinguishable structural units with curvature driven surface diffusion, surface mobility, self-shadowing and internal stresses as the most important parameters. Common and simple synthesis method and the possibility for easy modification of the morphology and, consequently, the physical properties offer an opportunity for intensive studies of this new class of materials, opening the way towards possible applications. - Highlights: • Ni{sub 50}Ti{sub 45}Cu{sub 5} thin film nanoglasses were synthesized by magnetron sputtering. • Ti amorphous interfacial phase with reduced density is observed. • Stabilization of interfaces by specific local thermodynamic conditions.« less

  6. Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Llano-Tomé, Francisco, E-mail: francisco.llano@ehu.eus; Bazán, Begoña, E-mail: bego.bazan@ehu.eus; BCMaterials Parque Tecnológico de Zamudio, Ibaizabal Bidea, Edificio 500–Planta 1, 48160 Derio

    Combination of polycarboxylate anions and dipyridyl ligands is an effective strategy to produce solid coordination frameworks (SCF) which are crystalline materials based on connections between metal ions through organic ligands. In this context, this work is focused on two novel Cu{sup II}-based SCFs exhibiting PDC (2,5-pyridinedicarboxylate) and bpa (1,2-di(4-pyridyl)ethane), being the first structures reported in literature containing both ligands. Chemical formula are [Cu{sub 2}[(PDC){sub 2}(bpa)(H{sub 2}O){sub 2}]·3H{sub 2}O·DMF (1), and [Cu{sub 2}(PDC){sub 2}(bpa)(H{sub 2}O){sub 2}]·7H{sub 2}O (2), where DMF is dimethylformamide. Compounds 1 and 2 have been characterized by means of X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric (TG) analysis,more » differential thermal analysis (DTA) and dielectric measurements. The crystallographic analysis revealed that compounds 1 and 2 can be described as herringbone-type layers formed by helicoidal Cu-PDC-Cu chains connected through bpa ligands. Solvent molecules are crystallized between the layers, providing the inter-layer connections through hydrogen bonds. Differences between both compounds are attributable to the flexibility of bpa (in 2D) as well as to the 3D packing of the layers which is solvent dependent. This fact results in the fact that compound 2 is the most regular 3-c herringbone array reported so far. The structural dynamism of these networks is responsible for the crystalline to-amorphous to-crystalline (CAC) transformation from compound 1 to compound 2. Crystallochemical features for both compounds have also been studied and compared to similar 3-connected herringbone-arrays. - Graphical abstract: Cu-PDC-bpa 3-c herringbone arrays. - Highlights: • The most ideal herringbone array reported so far is a Cu-PDC-bpa SCF. • Conformational freedom of bpa results in 2D and 3D flexibility of the SCFs. • The flexibility of the SCFs is related to a phase transformation.

  7. Diffusion paths formation for Cu{sup +} ions in superionic Cu{sub 6}PS{sub 5}I single crystals studied in terms of structural phase transition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gagor, A.; Pietraszko, A.; Kaynts, D.

    2005-11-15

    In order to understand the structural transformations leading to high ionic conductivity of Cu{sup +} ions in Cu{sub 6}PS{sub 5}I argyrodite compound, the detailed structure analysis based on single-crystal X-ray diffraction has been performed. Below the phase transition at T{sub c}=(144-169)K Cu{sub 6}PS{sub 5}I belongs to monoclinic, ferroelastic phase (space group Cc) with ordered copper sublattice. Above T{sub c} delocalization of copper ions begins and crystal changes the symmetry to cubic superstructure with space group F-43c (a{sup '}=19.528A, z=32). Finally, above T{sub 1}=274K increasing disordering of the Cu{sup +} ions heightens the symmetry to F-43m (a=9.794A, z=4). In this work,more » the final structural model of two cubic phases is presented including the detailed temperature evolution of positions and site occupation factors of copper ions (R{sub 1}=0.0397 for F-43c phase, and 0.0245 for F-43m phase). Possible diffusion paths for the copper ions are represented by means of the atomic displacement factors and split model. The structural results coincide well with the previously reported non-Arrhenius behavior of conductivity and indicate significant change in conduction mechanism.« less

  8. Phase Diagram of KxFe2-ySe2-zSz and the Suppression of its Superconducting State by an Fe2-Se=S Tetrahedron Distortion

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lei H.; Abeykoon, M.; Bozin, E.S.

    2011-09-19

    We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron ismore » an important controlling parameter that can be used to tune the ground state in the new superconductor family.« less

  9. Phase Diagram of KxFe2-ySe2-zSz and the Suppression of its Superconducting State by an Fe2-Se/S Tetrahedron Distortion

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    H Lei; M Abeykoon; E Bozin

    2011-12-31

    We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron ismore » an important controlling parameter that can be used to tune the ground state in the new superconductor family.« less

  10. Microstructure of epitaxial ferroelectric/metal oxide electrode thin film heterostructures on LaAlO{sub 3} and silicon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ghonge, S.G.; Goo, E.; Ramesh, R.

    1994-12-31

    TEM and X-ray diffraction studies of PZT, PLZT, lead titanate and bismuth titanate ferroelectric thin films and YBa{sub 2}Cu{sub 3}O{sub 7{minus}x}(YBCO), Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}(BSCCO) and La{sub 0.5}Sr{sub 0.5}CoO{sub 3}(LSCO) electrically conductive oxide thin films, that are sequentially deposited by pulsed laser ablation, show that these films may be deposited epitaxially onto LaAlO{sub 3}(LAO) or Si substrates. The conductive oxides are promising candidates for use is electrodes in place of metal electrodes in integrated ferroelectric device applications. The oxide electrodes are more chemically compatible with the ferroelectric films. High resolution electron microscopy his been used to investigate the interfacemore » between the ferroelectric and metal oxide thin films and no reaction was detected. Epitaxial growth is possible due to the similar crystal structures and the small lattice mismatch. The lattice mismatch that is present causes the domains in the ferroelectric films to be preferentially oriented and in the case of lead titanate, the film is single domain. These films may also have potential applications in integrated optical devices.« less

  11. Selective adsorption in two porous triazolate–oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hou, Juan-Juan; Xu, Xia; Jiang, Ning

    2015-03-15

    Solvothermal reactions of metal salts, 3-amino-1,2,4-triazole-5-carboxylic acid (H{sub 2}atzc) and ammonium oxalate in different temperature produced two metal azolate frameworks, namely, [Cu{sub 3}(atzc){sub 2}(atz)(ox)]·1.5H{sub 2}O (1) and [Co{sub 5}(atz){sub 4}(ox){sub 3}(HCOO){sub 2}]·DMF (2) (H{sub 2}atzc=3-amino-1,2,4-triazole-5-carboxylic acid, Hatz=3-amino-1,2,4-triazole, and ox=oxalate), in which the atzc precusor was in situ decarboxylated. Structural determination reveals that 1 contains [Cu{sub 3}(atzc){sub 2}(atz)]{sup 2−} layers of mixed μ{sub 4}-atzc and μ{sub 3}-atz ligands, which are pillared by ox{sup 2−} groups to form a 3D porous framework. Compound 2 contains 2D layers with basic spindle-shaped decanuclear units, which extended by ox{sup 2−} and formates to form 3Dmore » porous framework. Gas adsorption investigation revealed that two kinds of frameworks exhibited selective CO{sub 2} over N{sub 2} sorption. Moreover, activated 2 shows H{sub 2} storage capacity. Additionally, magnetic properties of both the compounds have been investigated. - Graphical abstract: Solvothermal reactions of metal salts, 3-amino-1,2,4-triazole-5-carboxylate and oxalate produced two metal azolate frameworks, which could store gas molecules, especially H{sub 2} due to small pores. in situ decarboxylation of precursor was observed. - Highlights: • Two MAFs were synthesized via in situ decarboxylation of H{sub 2}atzc. • Both activated frameworks exhibited selective CO{sub 2} over N{sub 2} sorption. • Activated 2 could adsorb H{sub 2}, which makes it promising candidates for gas storage.« less

  12. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xiong, Pingping; Li, Jie; Bu, Huaiyu, E-mail: 7213792@qq.com

    2014-07-01

    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu{sub 0.5}L]{sub n} (1), [Cu(HL){sub 2}Cl{sub 2}]{sub n} (2), [Cu(HL){sub 2}Cl{sub 2}(H{sub 2}O)] (3), [Cu(L){sub 2}(H{sub 2}O)]{sub n} (4) and [Cu(L)(phen)(HCO{sub 2})]{sub n} (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl{sup -}, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units –Cu–O–Cu–O–more » are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. - Graphical abstract: Copper(II) compounds with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid, were prepared, structurally characterized and investigated for antifungal activity. - Highlights: • The title compounds formed by thermodynamics and thermokinetics. • The five compounds show higher inhibition percentage than reactants. • The structure effect on the antifungal activity.« less

  13. Magnetic proximity effect at the interface between a cuprate superconductor and an oxide spin valve

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ovsyannikov, G. A., E-mail: gena@hitech.cplire.ru; Demidov, V. V.; Khaydukov, Yu. N.

    2016-04-15

    A heterostructure that consists of the YBa{sub 2}Cu{sub 3}O{sub 7–δ} cuprate superconductor and the SrRuO{sub 3}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} ruthenate/manganite spin valve is investigated using SQUID magnetometry, ferromagnetic resonance, and neutron reflectometry. It is shown that a magnetic moment is induced due to the magnetic proximity effect in the superconducting part of the heterostructure, while the magnetic moment in the composite ferromagnetic interlayer is suppressed. The magnetization emerging in the superconductor coincides in order of magnitude with the results of calculations taking into account the induced magnetic moment of Cu atoms because of orbital reconstruction at the interface between themore » superconductor and the ferromagnet, as well as with the results of the model taking into account the variations in the density of states at a distance on the order of the coherence length in the superconductor. The experimentally obtained characteristic penetration depth of the magnetic moment in the superconductor considerably exceeds the coherence length of the cuprate superconductor, which indicates the predominance of the mechanism of induced magnetic moment of Cu atoms.« less

  14. Extrusion of metal oxide superconducting wire, tube or ribbon

    DOEpatents

    Dusek, Joseph T.

    1993-10-05

    A process for extruding a superconducting metal oxide composition YBa.sub.2 Cu.sub.3 O.sub.7-x provides a wire (tube or ribbon) having a cohesive mass and a degree of flexibility together with enhanced electrical properties. Wire diameters in the range of 6-85 mils have been produced with smaller wires on the order of 10 mils in diameter exhibiting enhanced flexibility for forming braided, or multistrand, configurations for greater current carrying capacity. The composition for extrusion contains a polymeric binder to provide a cohesive mass to bind the particles together during the extrusion process with the binder subsequently removed at lower temperatures during sintering. The composition for extrusion further includes a deflocculent, an organic plasticizer and a solvent which also are subsequently removed during sintering. Electrically conductive tubing with an inner diameter of 52 mil and an outer diameter of 87-355 mil has also been produced. Flat ribbons have been produced in the range of 10-125 mil thick by 100-500 mil wide. The superconducting wire, tube or ribbon may include an outer ceramic insulating sheath co-extruded with the wire, tubing or ribbon.

  15. Extrusion of metal oxide superconducting wire, tube or ribbon

    DOEpatents

    Dusek, Joseph T.

    1993-01-01

    A process for extruding a superconducting metal oxide composition YBa.sub.2 Cu.sub.3 O.sub.7-x provides a wire (tube or ribbon) having a cohesive mass and a degree of flexibility together with enhanced electrical properties. Wire diameters in the range of 6-85 mils have been produced with smaller wires on the order of 10 mils in diameter exhibiting enhanced flexibility for forming braided, or multistrand, configurations for greater current carrying capacity. The composition for extrusion contains a polymeric binder to provide a cohesive mass to bind the particles together during the extrusion process with the binder subsequently removed at lower temperatures during sintering. The composition for extrusion further includes a deflocculent, an organic plasticizer and a solvent which also are subsequently removed during sintering. Electrically conductive tubing with an inner diameter of 52 mil and an outer diameter of 87-355 mil has also been produced. Flat ribbons have been produced in the range of 10-125 mil thick by 100-500 mil wide. The superconducting wire, tube or ribbon may include an outer ceramic insulating sheath co-extruded with the wire, tubing or ribbon.

  16. Alumina nanowire growth by water decomposition and the peritectic reaction of decagonal Al{sub 65}Cu{sub 15}Co{sub 20} quasicrystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Téllez-Vázquez, J.O., E-mail: oswald.tellez@gmail.com; Patiño-Carachure, C., E-mail: cpatino@pampano.unacar.mx; Rosas, G., E-mail: grtrejo@yahoo07.com.mx

    2016-02-15

    In this paper, the results of the Al{sub 2}O{sub 3} nanowires' growth through a chemical reaction between Al and water vapor at 1050 °C are presented. Our approach is based on two primary considerations. First, at room temperature, the Al{sub 65}Cu{sub 15}Co{sub 20} alloy is affected by the following mechanism: 2Al (s) + 3H{sub 2}O (g) → Al{sub 2}O{sub 3} (s) + H{sub 2} (g). In this reaction, the released hydrogen induces cleavage fracture of the material to form small particles. Second, the Al{sub 65}Cu{sub 15}Co{sub 20} quasicrystalline phase is transformed on heating to liquid + Al (Cu, Co) cubicmore » phase through a peritectic reaction at 1050 °C. The Al-rich liquid then reacts with water vapor, forming Al{sub 2}O{sub 3} nanowires. X-ray diffraction (XRD) analysis shows that the formed nanowires have a hexagonal structure, and infrared analysis further confirms the presence of α-Al{sub 2}O{sub 3} phase in the final products. Transmission electron microscopy observations show that nanoparticles are present at the end of nanowires, suggesting the VLS growth mechanism. Elemental analysis by energy dispersive spectroscopy (EDS) indicates that the particles at the tip of the nanowires are mainly formed by Co and Cu alloying elements and small amounts of Al. Electron microscopy observations showed nanowires with diameters ranging from 20 to 70 nm; the average diameter was 37 nm and the nanowire lengths were up to several micrometers. - Highlights: • Hexagonal alumina nanowires are grown at 1050 °C through the VLS process. • Alumina nanowires are obtained by the decomposition of decagonal quasicrystalline phase. • The decagonal phase decomposition follows a peritectic reaction at 1030 °C. • Nanoparticles are obtained by hydrogen embrittlement mechanism. • The nanoparticles catalyze the water decomposition to form wires.« less

  17. Magnetic and dielectric characterization of Co{sub 0.9}Ni{sub 0.1}Fe{sub 2}O{sub 4} prepared by hydroxide co-precipitation method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mane, S. M., E-mail: manesagar99@gmail.com; Vijaysingh Mohite Patil Mahavidyalaya Natepute, Solapur-413109; Tirmali, P. M., E-mail: pravintirmali@gmail.com

    2016-04-13

    Co{sub 1–x} Ni{sub x}Fe{sub 2}O{sub 4} (where x=0.1) were prepared by using the hydroxide co-precipitation method. An obtained precipitate was sintered at 1100°C by microwave sintering technique. The structural analysis confirms the single-phase cubic spinel structure with Fd-3m space group. The magnetic characterization was carried out at temperature 300K.Saturation magnetisation and coercivity is 77.22 and 908 Oe. Irreversibility is observed between the ZFC and FC curves at 100 Oe. The variation in the dielectric constant and loss tangent are studied at room temperature with increasing frequency. Continues decrease in the the dielectric constant with increasing frequency shows inverse dependence onmore » frequency. Morphological and elemental studies were done by using the scanning electron microscope with EDAX.« less

  18. Production of films and powders for semiconductor device applications

    DOEpatents

    Bhattacharya, R.N.; Noufi, R.; Li Wang

    1998-03-24

    A process is described for chemical bath deposition of selenide and sulfide salts as films and powders employable as precursors for the fabrication of solar cell devices. The films and powders include (1) Cu{sub x}Se{sub n}, wherein x=1--2 and n=1--3; (2) Cu{sub x}Ga{sub y}Se{sub n}, wherein x=1--2, y=0--1 and n=1--3; (3) Cu{sub x}In{sub y}Se{sub n}, wherein x=1--2.27, y=0.72--2 and n=1--3; (4) Cu{sub x}(InGa){sub y}Se{sub n}, wherein x=1--2.17, y=0.96--2 and n=1--3; (5) In{sub y}Se{sub n}, wherein y=1--2.3 and n=1--3; (6) Cu{sub x}S{sub n}, wherein x=1--2 and n=1--3; and (7) Cu{sub x}(InGa){sub y}(SeS){sub n}, wherein x=1--2, y=0.07--2 and n=0.663--3. A reaction vessel containing therein a substrate upon which will form one or more layers of semiconductor material is provided, and relevant solution mixtures are introduced in a sufficient quantity for a sufficient time and under favorable conditions into the vessel to react with each other to produce the resultant salt being prepared and deposited as one or more layers on the substrate and as a powder on the floor of the vessel. Hydrazine is present during all reaction processes producing non-gallium containing products and optionally present during reaction processes producing gallium-containing products to function as a strong reducing agent and thereby enhance reaction processes. 4 figs.

  19. Enhanced quality thin film Cu(In,Ga)Se[sub 2] for semiconductor device applications by vapor-phase recrystallization

    DOEpatents

    Tuttle, J.R.; Contreras, M.A.; Noufi, R.; Albin, D.S.

    1994-10-18

    Enhanced quality thin films of Cu[sub w](In,Ga[sub y])Se[sub z] for semiconductor device applications are fabricated by initially forming a Cu-rich, phase-separated compound mixture comprising Cu(In,Ga):Cu[sub x]Se on a substrate to form a large-grain precursor and then converting the excess Cu[sub x]Se to Cu(In,Ga)Se[sub 2] by exposing it to an activity of In and/or Ga, either in vapor In and/or Ga form or in solid (In,Ga)[sub y]Se[sub z]. Alternatively, the conversion can be made by sequential deposition of In and/or Ga and Se onto the phase-separated precursor. The conversion process is preferably performed in the temperature range of about 300--600 C, where the Cu(In,Ga)Se[sub 2] remains solid, while the excess Cu[sub x]Se is in a liquid flux. The characteristic of the resulting Cu[sub w](In,Ga)[sub y]Se[sub z] can be controlled by the temperature. Higher temperatures, such as 500--600 C, result in a nearly stoichiometric Cu(In,Ga)Se[sub 2], whereas lower temperatures, such as 300--400 C, result in a more Cu-poor compound, such as the Cu[sub z](In,Ga)[sub 4]Se[sub 7] phase. 7 figs.

  20. Characterization of the interface between the bulk glass forming alloy Zr{sub 41}Ti{sub 14}Cu{sub 12}Ni{sub 10}Be{sub 23} with pure metals and ceramics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schroers, Jan; Samwer, Konrad; Szuecs, Frigyes

    The reaction of the bulk glass forming alloy Zr{sub 41}Ti{sub 14}Cu{sub 12}Ni{sub 10}Be{sub 23} (Vit 1) with W, Ta, Mo, AlN, Al{sub 2}O{sub 3}, Si, graphite, and amorphous carbon was investigated. Vit 1 samples were melted and subsequently solidified after different processing times on discs of the different materials. Sessile drop examinations of the macroscopic wetting of Vit 1 on the discs as a function of temperature were carried out in situ with a digital optical camera. The reactions at the interfaces between the Vit 1 sample and the different disc materials were investigated with an electron microprobe. The structuremore » and thermal stability of the processed Vit 1 samples were examined by x-ray diffraction and differential scanning calorimetry. The results are discussed in terms of possible applications for composite materials. (c) 2000 Materials Research Society.« less

  1. Method of fabricating high-efficiency Cu(In,Ga)(Se,S){sub 2} thin films for solar cells

    DOEpatents

    Noufi, R.; Gabor, A.M.; Tuttle, J.R.; Tennant, A.L.; Contreras, M.A.; Albin, D.S.; Carapella, J.J.

    1995-08-15

    A process for producing a slightly Cu-poor thin film of Cu(In,Ga)(Se,S){sub 2} comprises depositing a first layer of (In,Ga){sub x} (Se,S){sub y} followed by depositing just enough Cu+(Se,S) or Cu{sub x} (Se,S) to produce the desired slightly Cu-poor material. In a variation, most, but not all, (about 90 to 99%) of the (In,Ga){sub x} (Se,S){sub y} is deposited first, followed by deposition of all the Cu+(Se,S) or Cu{sub x} (Se,S) to go near stoichiometric, possibly or even preferably slightly Cu-rich, and then in turn followed by deposition of the remainder (about 1 to 10%) of the (In,Ga){sub x} (Se,S){sub y} to end with a slightly Cu-poor composition. In yet another variation, a small portion (about 1 to 10%) of the (In,Ga){sub x} (Se,S){sub y} is first deposited as a seed layer, followed by deposition of all of the Cu+(Se,S) or Cu{sub x} (Se,S) to make a very Cu-rich mixture, and then followed deposition of the remainder of the (In,Ga){sub x} (Se,S){sub y} to go slightly Cu-poor in the final Cu(In,Ga)(Se,S){sub 2} thin film. 5 figs.

  2. Band alignments of different buffer layers (CdS, Zn(O,S), and In{sub 2}S{sub 3}) on Cu{sub 2}ZnSnS{sub 4}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yan, Chang; Liu, Fangyang; Song, Ning

    2014-04-28

    The heterojunctions of different n-type buffers, i.e., CdS, Zn(O,S), and In{sub 2}S{sub 3} on p-type Cu{sub 2}ZnSnS{sub 4} (CZTS) were investigated using X-ray Photoelectron Spectroscopy (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) Measurements. The band alignment of the heterojunctions formed between CZTS and the buffer materials was carefully measured. The XPS data were used to determine the Valence Band Offsets (VBO) of different buffer/CZTS heterojunctions. The Conduction Band Offset (CBO) was calculated indirectly by XPS data and directly measured by NEXAFS characterization. The CBO of the CdS/CZTS heterojunction was found to be cliff-like with CBO{sub XPS} = −0.24 ± 0.10 eV and CBO{submore » NEXAFS} = −0.18 ± 0.10 eV, whereas those of Zn(O,S) and In{sub 2}S{sub 3} were found to be spike-like with CBO{sub XPS} = 0.92 ± 0.10 eV and CBO{sub NEXAFS} = 0.87 ± 0.10 eV for Zn(O,S)/CZTS and CBO{sub XPS} = 0.41 ± 0.10 eV for In{sub 2}S{sub 3}/CZTS, respectively. The CZTS photovoltaic device using the spike-like In{sub 2}S{sub 3} buffer was found to yield a higher open circuit voltage (Voc) than that using the cliff-like CdS buffer. However, the CBO of In{sub 2}S{sub 3}/CZTS is slightly higher than the optimum level and thus acts to block the flow of light-generated electrons, significantly reducing the short circuit current (Jsc) and Fill Factor (FF) and thereby limiting the efficiency. Instead, the use of a hybrid buffer for optimization of band alignment is proposed.« less

  3. A comparative study on charge carrier recombination across the junction region of Cu{sub 2}ZnSn(S,Se){sub 4} and Cu(In,Ga)Se{sub 2} thin film solar cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Halim, Mohammad Abdul, E-mail: halimtsukuba2012@gmail.com; Islam, Muhammad Monirul; Luo, Xianjia

    A comparative study with focusing on carrier recombination properties in Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) and the CuInGaSe{sub 2} (CIGS) solar cells has been carried out. For this purpose, electroluminescence (EL) and also bias-dependent time resolved photoluminescence (TRPL) using femtosecond (fs) laser source were performed. For the similar forward current density, the EL-intensity of the CZTSSe sample was obtained significantly lower than that of the CIGS sample. Primarily, it can be attributed to the existence of excess amount of non-radiative recombination center in the CZTSSe, and/or CZTSSe/CdS interface comparing to that of CIGS sample. In case of CIGS sample, TRPL decaymore » time was found to increase with the application of forward-bias. This can be attributed to the reduced charge separation rate resulting from the reduced electric-field at the junction. However, in CZTSSe sample, TRPL decay time has been found almost independent under the forward and reverse-bias conditions. This phenomenon indicates that the charge recombination rate strongly dominates over the charge separation rate across the junction of the CZTSSe sample. Finally, temperature dependent V{sub OC} suggests that interface related recombination in the CZTSSe solar cell structure might be one of the major factors that affect EL-intensity and also, TRPL decay curves.« less

  4. Phase relations in the system Cu-Gd-O and Gibbs energy of formation of CuGd[sub 2]O[sub 4

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jacob, K.T.; Mathews, T.; Hajra, J.P.

    1993-07-01

    The phase relations in the system Cu-Gd-O have been determined at 1,273 K by X-ray diffraction, optical microscopy, and electron microprobe analysis of samples equilibrated in quartz ampules and in pure oxygen. Only one ternary compound, CuGd[sub 2]O[sub 4], was found to be stable. The Gibbs free energy of formation of this compound has been measured using the solid-state cell Pt, Cu[sub 2]O + CuGd[sub 2]O[sub 4] + Gd[sub 2]O[sub 3]//(Y[sub 2]O[sub 3])ZrO[sub 2]//CuO + Cu[sub 2]O, Pt in the temperature range of 900 to 1,350 K. For the formation of CuGd[sub 2]O[sub 4] from its binary component oxides, CuOmore » (s) + Gd[sub 2]O[sub 3] (s) [r arrow] CuGd[sub 2]O[sub 4] (s) [Delta]G[degree] = 8230 - 11.2T([plus minus]50)J/mol. Since the formation is endothermic, CuGd[sub 2]O[sub 4] becomes thermodynamically unstable with respect to CuO and Gd[sub 2]O[sub 3] below 735 K. When the oxygen partial pressure over CuGd[sub 2]O[sub 4] is lowered, it decomposes according to the reaction 4CuGd[sub 2]O[sub 4] (s) [r arrow] 4Gd[sub 2]O[sub 3] (s) + 2Cu[sub 2]O (s) + O[sub 2] (g) for which the equilibrium oxygen potential is given by [Delta][mu][sub o][sub 2] = [minus]227,970 + 143.2T([plus minus]500)J/mol. An oxygen potential diagram for the system Cu-Gd-O at 1,273 is presented.« less

  5. Electrodeposition of hierarchical ZnO/Cu{sub 2}O nanorod films for highly efficient visible-light-driven photocatalytic applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ren, S. T.; Fan, G. H.; Liang, M. L.

    2014-02-14

    The development of high-performance visible-light-responsive photocatalytic materials has attracted widespread interest due to their potential applications in the environmental and energy industries. In this work, hierarchical ZnO nanorods films were successfully prepared on the stainless steel mesh substrates via a simple two-step seed-assisted electrodeposition route. Cu{sub 2}O nanoparticles were then electrodeposited on the surface of ZnO nanorods to form the core-shell heterostructure. The synthesized ZnO/Cu{sub 2}O nanocomposites were characterized by X-ray diffraction, field-emission scanning electron microscopy, and UV-visible spectrophotometer. Due to the branched hierarchical morphologies and core-shell structure, ZnO/Cu{sub 2}O nanomaterials show a prominent visible-light-driven photocatalytic performance under the low-intensitymore » light irradiation (40 mW/cm{sup 2}). The influence of some experimental parameters, such as Cu{sub 2}O loading amount, ZnO morphologies, the substrate type, and the PH of the Cu{sub 2}O precursor solution on ZnO/Cu{sub 2}O photocatalytic performance was evaluated.« less

  6. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hou, Xian; Li, Yan, E-mail: liyan-nwnu@163.com; Yan, Jian-Jun

    Highlights: • Kesterite CZTS nanocrystal powder was synthesized by one-pot method. • First successful use CZTS nanocrystal powder as photocatalyst. • CZTS shows an efficient photocatalysis under visible light irradiation. • CZTS photocatalyst having excellent stability. - Abstract: Cu{sub 2}ZnSnS{sub 4}, as a very promising p-type semiconductor material, has been extensively used in the study of solar cells owing to its suitable band gap (1.11.5 eV), large absorption coefficient of 10{sup 4} cm{sup −1} in the visible spectrum, good photo stability, nontoxicity and relative abundance of the component elements. In this paper, we have successfully synthesized p-type kesterite Cu{sub 2}ZnSnS{submore » 4} nanocrystal powder by facile one-pot method, and made our first successful attempt to use Cu{sub 2}ZnSnS{sub 4} nanocrystal powder as a photocatalyst to degradation methyl orange under visible-light irradiation. The exciting results show that in the visible light region, Cu{sub 2}ZnSnS{sub 4} nanocrystal powder possesses an excellent photocatalytic performance of K = 0.0317 min{sup −1}, nearly about 6 times of well known commercial P25 titania powder performance under the same conditions, which suggests that the p-type kesterite Cu{sub 2}ZnSnS{sub 4} nanocrystal would be a promising candidate of photocatalyst.« less

  7. Synthesis and magnetic structure of the layered manganese oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Blandy, Jack N.; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE; Boskovic, Jelena C.

    The synthesis of a high-purity sample of the layered oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} is reported. At ambient temperature it crystallises in the space group I4/mmm with two formula units in the unit cell and lattice parameters a=4.08771(1) Å, c=19.13087(8) Å. The compound displays mixed-valent manganese in a formal oxidation state close to +2.5 and powder neutron diffraction measurements reveal that below the Néel temperature of 63(1) K this results in an antiferromagnetic structure which may be described as A-type, modelled in the magnetic space group P{sub I}4/mnc (128.410 in the Belov, Neronova and Smirnova (BNS) scheme) inmore » which localised Mn moments of 3.99(2) μ{sub B} are arranged in ferromagnetic layers which are coupled antiferromagnetically. In contrast to the isostructural compound Sr{sub 2}MnO{sub 2}Cu{sub 1.5}S{sub 2}, Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} does not display long range ordering of coinage metal ions and vacancies, nor may significant amounts of the coinage metal readily be deintercalated using soft chemical methods. - Graphical abstract: Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} containing mixed valent Mn ions undergoes magnetic ordering with ferromagnetic coupling within MnO{sub 2} sheets and antiferromagnetic coupling between MnO{sub 2} sheets. - Highlights: • High purity sample of Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} obtained. • Magnetic structure determined. • Compared with related mixed-valent manganite oxide chalcogenides.« less

  8. Understanding and control of bipolar self-doping in copper nitride

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fioretti, Angela N., E-mail: afiorett@mines.edu, E-mail: riy.zakutayev@nrel.gov; Tamboli, Adele C.; Caskey, Christopher M.

    2016-05-14

    Semiconductor materials that can be doped both n-type and p-type are desirable for diode-based applications and transistor technology. Copper nitride (Cu{sub 3}N) is a metastable semiconductor with a solar-relevant bandgap that has been reported to exhibit bipolar doping behavior. However, deeper understanding and better control of the mechanism behind this behavior in Cu{sub 3}N is currently lacking in the literature. In this work, we use combinatorial growth with a temperature gradient to demonstrate both conduction types of phase-pure, sputter-deposited Cu{sub 3}N thin films. Room temperature Hall effect and Seebeck effect measurements show n-type Cu{sub 3}N with 10{sup 17} electrons/cm{sup 3}more » for low growth temperature (≈35 °C) and p-type with 10{sup 15} holes/cm{sup 3}–10{sup 16} holes/cm{sup 3} for elevated growth temperatures (50 °C–120 °C). Mobility for both types of Cu{sub 3}N was ≈0.1 cm{sup 2}/Vs–1 cm{sup 2}/Vs. Additionally, temperature-dependent Hall effect measurements indicate that ionized defects are an important scattering mechanism in p-type films. By combining X-ray absorption spectroscopy and first-principles defect theory, we determined that V{sub Cu} defects form preferentially in p-type Cu{sub 3}N, while Cu{sub i} defects form preferentially in n-type Cu{sub 3}N, suggesting that Cu{sub 3}N is a compensated semiconductor with conductivity type resulting from a balance between donor and acceptor defects. Based on these theoretical and experimental results, we propose a kinetic defect formation mechanism for bipolar doping in Cu{sub 3}N that is also supported by positron annihilation experiments. Overall, the results of this work highlight the importance of kinetic processes in the defect physics of metastable materials and provide a framework that can be applied when considering the properties of such materials in general.« less

  9. Hydrogen production from water using copper and barium hydroxide

    DOEpatents

    Bamberger, Carlos E.; Richardson, deceased, Donald M.

    1979-01-01

    A process for producing hydrogen comprises the step of reacting metallic Cu with Ba(OH).sub.2 in the presence of steam to produce hydrogen and BaCu.sub.2 O.sub.2. The BaCu.sub.2 O.sub.2 is reacted with H.sub.2 O to form Cu.sub.2 O and a Ba(OH).sub.2 product for recycle to the initial reaction step. Cu can be obtained from the Cu.sub.2 O product by several methods. In one embodiment the Cu.sub.2 O is reacted with HF solution to provide CuF.sub.2 and Cu. The CuF.sub.2 is reacted with H.sub.2 O to provide CuO and HF. CuO is decomposed to Cu.sub.2 O and O.sub.2. The HF, Cu and Cu.sub.2 O are recycled. In another embodiment the Cu.sub.2 O is reacted with aqueous H.sub.2 SO.sub.4 solution to provide CuSO.sub.4 solution and Cu. The CuSO.sub.4 is decomposed to CuO and SO.sub.3. The CuO is decomposed to form Cu.sub.2 O and O.sub.2. The SO.sub.3 is dissolved to form H.sub.2 SO.sub.4. H.sub.2 SO.sub.4, Cu and Cu.sub.2 O are recycled. In another embodiment Cu.sub.2 O is decomposed electrolytically to Cu and O.sub.2. In another aspect of the invention, Cu is recovered from CuO by the steps of decomposing CuO to Cu.sub.2 O and O.sub.2, reacting the Cu.sub.2 O with aqueous HF solution to produce Cu and CuF.sub.2, reacting the CuF.sub.2 with H.sub.2 O to form CuO and HF, and recycling the CuO and HF to previous reaction steps.

  10. Five inorganic–organic hybrids based on Keggin polyanion [SiMo{sub 12}O{sub 40}]{sup 4−}: From 0D to 2D network

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yu, Xiao-Yang, E-mail: yangyangyu0103@sohu.com; Jilin Institute of Chemical Technology, Jilin City, Jilin 132022; Cui, Xiao-Bing

    2014-01-15

    Five new inorganic–organic hybrids based on 4,4′-bipyridine and Keggin-type polyoxometalate [SiMo{sub 12}O{sub 40}]{sup 4−}, (SiMo{sub 12}O{sub 40})(H{sub 2}bipy){sub 22H{sub 2}O (1), [Cu(Hbipy){sub 4}(HSiMo{sub 12}O{sub 40})(SiMo{sub 12}O{sub 40})](H{sub 2}bipy){sub 0.5}·7H{sub 2}O (2), [Cu{sub 2}(Hbipy){sub 6}(bipy)(SiMo{sub 12}O{sub 40}){sub 3}](Hbipy){sub 2}·6H{sub 2}O (3), [Cu(bipy){sub 2}(SiMo{sub 12}O{sub 40})](H{sub 2}bipy)·2H{sub 2}O (4) and [Cu{sub 2}(bipy){sub 4}(H{sub 2}O){sub 4}](SiMo{sub 12}O{sub 40})·13H{sub 2}O (5) (bipy=4,4′-bipyridine), have been hydrothermally synthesized. 1 consists of H{sub 2}bipy{sup 2+} and [SiMo{sub 12}O{sub 40}]{sup 4−} units. In 2, two [SiMo{sub 12}O{sub 40}]{sup 4−} are bridged by [Cu(Hbipy){sub 4}]{sup 6+} to form a [Cu(Hbipy){sub 4}(SiMo{sub 12}O{sub 40}){sub 2}]{sup 2−} dimmer. In 3, [SiMo{submore » 12}O{sub 40}]{sup 4−} polyanions acting as bidentated bridging ligands and monodentated auxiliary ligands connect [Cu{sub 2}(Hbipy){sub 6}(bipy)]{sup 8+} units into a 1D zigzag chain. In 4, [SiMo{sub 12}O{sub 40}]{sup 4−} polyanions bridge neighboring 1D [Cu(bipy){sub 2}]{sup 2+} double chains into a 2D extended layer. In 5, [SiMo{sub 12}O{sub 40}]{sup 4−} polyanions acting as templates site alternately upon the grids from both sides of the square grid [Cu{sub 2}(bipy){sub 4}(H{sub 2}O){sub 4}]{sup 4+} layer. In addition, the electrochemical behaviors of 1, 3 and 4 and the photocatalysis property of 1 have been investigated. - Graphical abstract: Five new compounds based on [SiMo{sub 12}O{sub 40}]{sup 4−} have been successfully generated. [SiMo{sub 12}O{sub 40}]{sup 4−} anions play different roles in the structures of the five compounds. Display Omitted - Highlights: • Five new compounds based on [SiMo{sub 12}O{sub 40}]{sup 4−} have been generated. • [SiMo{sub 12}O{sub 40}]{sup 4−} anions play different roles in the five structures. • The electrochemical behaviors of 1, 3 and 4

  11. Large single crystal quaternary alloys of IB-IIIA-Se/sub 2/ and methods of synthesizing the same

    DOEpatents

    Ciszek, T.F.

    1986-07-15

    New alloys of Cu/sub x/Ag/sub (1-x)/InSe/sub 2/ (where x ranges between 0 and 1 and preferably has a value of about 0.75) and CuIn/sub y/Ga/sub (1-y)/Se/sub 2/ (where y ranges between 0 and 1 and preferably has a value of about 0.90) in the form of single crystals with enhanced structure perfection, which crystals are substantially free of fissures, are disclosed. Processes are disclosed for preparing the new alloys of Cu/sub x/Ag/sub (1-x)/InSe/sub 2/. The process includes placing stoichiometric quantities of a Cu, Ag, In, and Se reaction mixture or stoichiometric quantities of a Cu, In, Ga, and Se reaction mixture in a refractory crucible in such a manner that the reaction mixture is surrounded by B/sub 2/O/sub 3/, placing the thus loaded crucible in a chamber under a high pressure atmosphere of inert gas to confine the volatile Se to the crucible, and heating the reaction mixture to its melting point. The melt can then be cooled slowly to form, by direct solidification, a single crystal with enhanced structure perfection, which crystal is substantially free of fissures.

  12. Mixed nickel-gallium tellurides Ni{sub 3−x}GaTe{sub 2} as a matrix for incorporating magnetic cations: A Ni{sub 3−x}Fe{sub x}GaTe{sub 2} series

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kuznetsov, Alexey N., E-mail: alexei@inorg.chem.msu.ru; N.S. Kurnakov Institute of General and Inorganic Chemistry, RAS, Leninsky pr. 31, GSP-1, 119991 Moscow; Stroganova, Ekaterina A.

    Using a high-temperature ampoule technique, a series of mixed nickel-iron-gallium metal-rich tellurides with layered structures, Ni{sub 3-x}Fe{sub x}GaTe{sub 2}, were prepared and characterized based on X-ray powder diffraction, energy-dispersive spectroscopy, and {sup 57}Fe Mössbauer spectroscopy data. These compounds may be regarded as a result of partial substitution of nickel by iron in the recently reported ternary Ni{sub 3-x}GaTe{sub 2} series, which are based on NiAs/Ni{sub 2}In type of structure. The compositional boundary for the substitution was found to be at x~1. According to the Mössbauer spectroscopy data, the substitution is not statistical, and iron atoms with the increase in xmore » tend to preferentially occupy those nickel positions that are partially vacant in the initial ternary compound. Magnetic measurements data for the Ni{sub 3-x}Fe{sub x}GaTe{sub 2} series show dramatic change in behavior from temperature-independent paramagnetic properties of the initial matrix to a low-temperature (~75 K) ferromagnetic ordering in the Ni{sub 2}FeGaTe{sub 2}. - Graphical abstract: Ordered substitution of nickel by iron in the Ni{sub 3−x}GaTe{sub 2} series leading to ferromagnetic ordering. - Highlights: • A series of Ni{sub 3−x}Fe{sub x}GaTe{sub 2} compounds were synthesized. • They adopt the NiAs/Ni{sub 2}In type of structure with ordered iron distribution. • The distribution of iron was studied using {sup 57}Fe Mössbauer spectroscopy. • An increase in iron content leads to the strong ferromagnetic coupling.« less

  13. The effect of B{sub 2}O{sub 3} flux on growth NLBCO superconductor by solid state reaction and wet-mixing methods

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Suharta, W. G., E-mail: wgsuharta@gmail.com; Wendri, N.; Ratini, N.

    The synthesis of B{sub 2}O{sub 3} flux substituted NLBCO superconductor NdBa{sub 1.75}La{sub 0.25}Cu{sub 3}O{sub 7-∂} has been done using solid state reaction and wet-mixing methods in order to obtain homogeneous crystals and single phase. From DTA/TGA characteritations showed the synthesis process by wet-mixing requires a lower temperature than the solid state reaction in growing the superconductor NdBa{sub 1.75}La{sub 0.25}Cu{sub 3}O{sub 7-∂}. Therefore, in this research NdBa{sub 1.75}La{sub 0.25}Cu{sub 3}O{sub 7-∂} sample calcinated at 650°C for wet-mixing method and 820°C for solid state reaction methods. The all samples was sintered at 950°C for ten hours. Crystallinity of the sample was confirmedmore » using X-ray techniques and generally obtained sharp peaks that indicates the sample already well crystallized. Search match analyses for diffraction data gave weight fractions of impurity phase of the solid state reaction method higher than wet-mixing method. In this research showed decreasing the price of the lattice parameter about 1% with the addition of B{sub 2}O{sub 3} flux for the both synthesis process and 2% of wet mixing process for all samples. Characterization using scanning electron microscopy (SEM) showed the distribution of crystal zise for wet-mixing method more homogeneous than solid state reaction method, with he grain size of samples is around 150–250 nm. The results of vibrating sample magnetometer (VSM) showed the paramagnetic properties for all samples.« less

  14. Synthesis of BiPbSrCaCuO superconductor

    DOEpatents

    Hults, William L.; Kubat-Martin, Kimberly A.; Salazar, Kenneth V.; Phillips, David S.; Peterson, Dean E.

    1994-01-01

    A process and a precursor composition for preparing a lead-doped bismuth-strontium-calcium-copper oxide superconductor of the formula Bi.sub.a Pb.sub.b Sr.sub.c Ca.sub.d Cu.sub.e O.sub.f wherein a is from about 1.7 to about 1.9, b is from about 0.3 to about 0.45, c is from about 1.6 to about 2.2, d is from about 1.6 to about 2.2, e is from about 2.97 to about 3.2 and f is 10.+-.z by reacting a mixture of Bi.sub.4 Sr.sub.3 Ca.sub.3 Cu.sub.4 O.sub.16.+-.z, an alkaline earth metal cuprate, e.g., Sr.sub.9 Ca.sub.5 Cu.sub.24 O.sub.41, and an alkaline earth metal plumbate, e.g., Ca.sub.2-x Sr.sub.x PbO.sub.4 wherein x is about 0.5, is disclosed.

  15. History dependent crystallization of Zr{sub 41}Ti{sub 14}Cu{sub 12}Ni{sub 10}Be{sub 23} melts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schroers, Jan; Johnson, William L.

    The crystallization of Zr{sub 41}Ti{sub 14}Cu{sub 12}Ni{sub 10}Be{sub 23} (Vit 1) melts during constant heating is investigated. (Vit 1) melts are cooled with different rates into the amorphous state and the crystallization temperature upon subsequent heating is studied. In addition, Vit 1 melts are cooled using a constant rate to different temperatures and subsequently heated from this temperature with a constant rate. We investigate the influence of the temperature to which the melt was cooled on the crystallization temperature measured upon heating. In both cases the onset temperature of crystallization shows strong history dependence. This can be explained by anmore » accumulating process during cooling and heating. An attempt is made to consider this process in a simple model by steady state nucleation and subsequent growth of the nuclei which results in different crystallization kinetics during cooling or heating. Calculations show qualitative agreement with the experimental results. However, calculated and experimental results differ quantitatively. This difference can be explained by a decomposition process leading to a nonsteady nucleation rate which continuously increases with decreasing temperature. (c) 2000 American Institute of Physics.« less

  16. Superconducting microcircuitry by the microlithographic patterning of superconducting compounds and related materials

    DOEpatents

    Coppa, N.V.

    1993-08-24

    A method is described of producing superconducting microcircuits comprising the steps of: depositing a thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x](O < x < 1) onto a substrate; depositing a thin film of a dopant onto said thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x]; depositing a photoresist onto said thin film of a dopant; shining light through a mask containing a pattern for a desired circuit configuration and onto said photoresist; developing said photoresist to remove portions of said photoresist shined by the light and to selectively expose said dopant film; etching said selectively exposed dopant film from said thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x] to form a pattern of dopant; and heating said substrate at a temperature and for a period of time sufficient to diffuse and react said pattern of dopant with said thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x].

  17. Controlled preparation of Ag–Cu{sub 2}O nanocorncobs and their enhanced photocatalytic activity under visible light

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Siyuan; Zhang, Shengsen; College of Science, South China Agricultural University, Guangzhou 510642

    Graphical abstract: The corncob-like Ag–Cu{sub 2}O nanostructure with suitably exposed Ag surface exhibited much higher photocatalytic activity than Ag@Cu{sub 2}O nanocables and Cu{sub 2}O nanowires. - Highlights: • Ag–Cu{sub 2}O nanocorncobs have been controllably prepared by a simple synthesis. • The possible formation mechanism of Ag–Cu{sub 2}O has been studied. • Ag–Cu{sub 2}O exhibits noticeable improved photocurrent compared with the pure Cu{sub 2}O NWs. • Ag–Cu{sub 2}O with suitably exposed Ag surface shows much higher photocatalytic activity. - Abstract: Novel corncob-like nano-heterostructured Ag–Cu{sub 2}O photocatalyst has been controllably prepared by adjusting the synthetic parameters, and the possible formation mechanism hasmore » been also studied. The photoelectrochemical and photocatalytic performances demonstrated that the as-prepared Ag–Cu{sub 2}O nanocorncobs exhibited higher photocatalytic activity than both pure Cu{sub 2}O nanowires and cable-like Ag@Cu{sub 2}O nano-composites. It was concluded that Ag–Cu{sub 2}O nanocorncobs with suitably exposed Ag surface not only effectively inhibit the recombination of electron–hole pairs but also suitably increase the active sites of electronic conduction, and thus increasing the photocatalytic activity under visible light irradiation.« less

  18. Improvement in J{sub c} performance below liquid nitrogen temperature for SmBa{sub 2}Cu{sub 3}O{sub y} superconducting films with BaHfO{sub 3} nano-rods controlled by low-temperature growth

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Miura, S., E-mail: miura-syun12@ees.nagoya-u.ac.jp; Yoshida, Y.; Ichino, Y.

    For use in high-magnetic-field coil-based applications, the critical current density (J{sub c}) of REBa{sub 2}Cu{sub 3}O{sub y} (REBCO, where RE = rare earth) coated conductors must be isotropically improved, with respect to the direction of the magnetic field; these improvements must be realized at the operating conditions of these applications. In this study, improvement of the J{sub c} for various applied directions of magnetic field was achieved by controlling the morphology of the BaHfO{sub 3} (BHO) nano-rods in a SmBCO film. We fabricated the 3.0 vol. % BHO-doped SmBCO film at a low growth temperature of 720 °C, by using amore » seed layer technique (T{sub s} = 720 °C film). The low-temperature growth resulted in a morphological change in the BHO nano-rods. In fact, a high number density of (3.1 ± 0.1) × 10{sup 3} μm{sup −2} of small (diameter: 4 ± 1 nm), discontinuous nano-rods that grew in various directions, was obtained. In J{sub c} measurements, the J{sub c} of the T{sub s} = 720 °C film in all directions of the applied magnetic field was higher than that of the non-doped SmBCO film. The J{sub c}{sup min} (6.4 MA/cm{sup 2}) of the former was more than 6 times higher than that (1.0 MA/cm{sup 2}) of the latter at 40 K, under 3 T. The aforementioned results indicated that the discontinuous BHO nano-rods, which occurred with a high number density, exerted a 3D-like flux pinning at the measurement conditions considered. Moreover, at 4.2 K and under 17 T, a flux pinning force density of 1.6 TN/m{sup 3} was realized; this value was comparable to the highest value recorded, to date.« less

  19. Segregation at the surfaces of CuxPd1-x alloys in the presence of adsorbed S

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Miller, James B.; Priyadarshini, Deepika; Gellman, Andrew J.

    2012-10-01

    The influence of adsorbed S on surface segregation in Cu{sub x}Pd{sub 1 - x} alloys (S/Cu{sub x}Pd{sub 1 - x)} was characterized over a wide range of bulk alloy compositions (x = 0.05 to 0.95) using high-throughput Composition Spread Alloy Film (CSAF) sample libraries. Top-surface and near-surface compositions of the CSAFs were measured as functions of bulk Cu composition, x, and temperature using spatially resolved low energy ion scattering spectroscopy (LEISS) and X-ray photoemission spectroscopy (XPS). Preferential segregation of Cu to the top-surface of the S/Cu{sub x}Pd{sub 1 - x} CSAF was observed at all bulk compositions, x, but themore » extent of Cu segregation to the S/Cu{sub x}Pd{sub 1 - x} surface was lower than the Cu segregation to the surface of a clean Cu{sub x}Pd{sub 1 - x} CSAF, clear evidence of an S-induced “segregation reversal.” The Langmuir–McLean formulation of the Gibbs isotherm was used to estimate the enthalpy and entropy of Cu segregation to the top-surface, ΔH{sub seg}(x) and ΔS{sub seg}(x), at saturation sulfur coverages. While Cu segregation to the top-surface of the clean Cu{sub x}Pd{sub 1 - x} is exothermic (ΔH{sub seg} < 0) for all bulk Cu compositions, it is endothermic (ΔH{sub seg} > 0) for S/Cu{sub x}Pd{sub 1 - x}. Segregation to the S/Cu{sub x}Pd{sub 1 - x} surface is driven by entropy. Changes in segregation patterns that occur upon adsorption of S onto Cu{sub x}Pd{sub 1 - x} appear to be related to formation of energetically favored Pd{single bond}S bonds at the surface, which counterbalance the enthalpic driving forces for Cu segregation to the clean surface.« less

  20. Structural and magnetic analysis of Cu, Co substituted NiFe{sub 2}O{sub 4} thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sharma, Hakikat; Bala, Kanchan; Negi, N. S.

    2016-05-23

    In the present work we prepared NiFe{sub 2}O{sub 4}, Ni{sub 0.95}Cu{sub 0.05}Fe{sub 2}O{sub 4} and Ni{sub 0.94}Cu{sub 0.05}Co{sub 0.01} Fe{sub 2}O{sub 4} thin films by metallo-organic decomposition method (MOD) using spin coating technique. The thin films were analyzed by X-ray diffractometer (XRD) and Atomic force microscope (AFM) for structural studies. The XRD patterns confirmed the ferrite phase of thin films. From AFM, we analyzed surface morphology, calculated grain size (GS) and root mean square roughness (RMSR). Room temperature magnetic properties were investigated by vibrating sample magnetometer (VSM).

  1. Aging behavior of an in-situ TiB{sub 2}/Al-Cu-Li-x matrix composite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shen, Yanwei; Hong, Tianran; Geng, Jiwei

    Transmission electron microscopy, differential scanning calorimetry and hardness tests have been performed on an in-situ TiB{sub 2}/Al-3.3Cu-1.0Li-0.60Mg-0.40Ag-0.14Zr-0.13Si composite to study its aging behavior at 175 °C. A cubic phase suspected to be the σ (Al{sub 5}Cu{sub 6}Mg{sub 2}) phase or its variant is precipitated at all aging stages studied, and this phase is not typically observed in the Al-Cu-Li alloys. The primary hardening (aging for 3 h) phases consist of δ′ (Al{sub 3}Li), β′ (Al{sub 3}Zr) and the cubic phase. After aging for 18 h, all precipitates including T{sub 1} (Al{sub 2}CuLi), S (Al{sub 2}CuMg), θ′ (Al{sub 2}Cu), δ′, β′more » and the cubic phase have appeared, and the formation of T{sub 1} and S results in a rapid increase in hardness. With prolonging of aging time, the apparent coarsening of T{sub 1} and S results in a decline in hardness. - Highlights: •The aging behavior of an in-situ TiB{sub 2}/Al-Cu-Li-x composite was studied. •A cubic phase suspected to be σ (Al{sub 5}Cu{sub 6}Mg{sub 2}) or its variant was precipitated. •The hardness change was dominated by the evolution of T{sub 1} (Al{sub 2}CuLi) and S (Al{sub 2}CuMg).« less

  2. Microwave and millimeter wave dielectric permittivity and magnetic permeability of epsilon-gallium-iron-oxide nano-powders

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chao, Liu, E-mail: liu.chao@tufts.edu; Afsar, Mohammed N.; Ohkoshi, Shin-ichi

    2015-05-07

    In millimeter wave frequency range, hexagonal ferrites with high uniaxial anisotropic magnetic fields are used as absorbers. These ferrites include M-type barium ferrite (BaFe{sub 12}O{sub 19}) and strontium ferrite (SrFe{sub 12}O{sub 19}), which have natural ferromagnetic resonant frequency range from 40 GHz to 60 GHz. However, the higher frequency range lacks suitable materials that support the higher frequency ferromagnetic resonance. A series of gallium-substituted ε-iron oxides (ε-Ga{sub x}Fe{sub 2−x}O{sub 3}) are synthesized, which have ferromagnetic resonant frequencies appearing over the frequency range of 30 GHz to 150 GHz. The ε-Ga{sub x}Fe{sub 2−x}O{sub 3} is synthesized by the sol-gel method. The particlemore » sizes are observed to be smaller than 100 nm. In this paper, in-waveguide transmission and reflection method and the free space magneto-optical approach have been employed to study these newly developed ε-Ga{sub x}Fe{sub 2−x}O{sub 3} particles in millimeter waves. These techniques enable to obtain precise transmission spectra to determine the dielectric and magnetic properties of both isotropic and anisotropic ferrites in the microwave and millimeter wave frequency range from single set of direct measurements. The complex dielectric permittivity and magnetic permeability spectra of ε-Ga{sub x}Fe{sub 2−x}O{sub 3} are shown in this paper. Strong ferromagnetic resonances at different frequencies determined by the x parameter are found.« less

  3. Structural and electrical properties of (La,Nd){sub 2}(Cu,Ni)O{sub 4+{delta}}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Suck, S.I.; Park, D.S.; Park, S.J.

    The temperature dependence of electrical properties for K{sub 2}NiF{sub 4} type oxide, La{sub 2}Cu{sub 1{minus}{ital x}}Ni{sub {ital x}}O{sub 4+{delta}} and La{sub 1.8}Nd{sub 0.2}Cu{sub 1{minus}{ital x}}Ni{sub {ital x}}O{sub 4+{delta}} ({ital x}=0.0, 0.025, 0.05, 0.10, and 0.20), were investigated between R.T and 1173 K in view of potential thermoelectric material. Structural studies were made using a Rietveld pattern fitting refinement with X-ray powder diffraction data. Lattice parameter in {ital c} axis decreases with Ni content, while {ital a} increases and {ital b} is almost invariant. The electrical conductivity increases with a substitution of Ni ion in Cu sites, showing the transition betweenmore » quasi-metallic and semiconducting. However, the absolute value of 5 and 10 mol % Ni-doped composition are lower than that of un-doped La{sub 2}CuO{sub 4+{delta}}. The thermoelectric power decreases continuously with Ni content. These behaviors were considered to an ability of Ni ion for incorporating an excess oxygen owing to the easier accessibility of Ni{sup 3+} and deleting of the local Cu 3d band by 3d{sup 8} configuration of Ni{sup 2+}. Power factors with doping of Ni are not enhanced. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.« less

  4. Excess Oxygen Defects in Layered Cuprates

    DOE R&D Accomplishments Database

    Lightfoot, P.; Pei, S. Y.; Jorgensen, J. D.; Manthiram, A.; Tang, X. X.; Goodenough, J. B.

    1990-09-01

    Neutron powder diffraction has been used to study the oxygen defect chemistry of two non-superconducting layered cuprates, La{sub 1. 25}Dy{sub 0.75}Cu{sub 3.75}F{sub 0.5}, having a T{sup {asterisk}}- related structure, and La{sub 1.85}Sr{sub 1.15}Cu{sub 2}O{sub 6.25}, having a structure related to that of the newly discovered double-layer superconductor La{sub 2-x}Sr{sub x}CaCu{sub 2}O{sub 6}. The role played by oxygen defects in determining the superconducting properties of layered cuprates is discussed.

  5. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hamdi, S.; Ouni, S.; Chaker, H.

    A new compound DySr{sub 5}Ni{sub 2.4}Cu{sub 0.6}O{sub 12-{delta}} has been prepared by sol gel method and annealed at 1473 K in 1 atm of Ar gas flow. The X-ray diffraction (XRD) is used for phase identification. The sample shows to adopt the K{sub 2}NiF{sub 4}-type structure based on tolerance factor calculation. XRD analysis using the Rietveld method was carried out and it was found that DySr{sub 5}Ni{sub 2.4}Cu{sub 0.6}O{sub 12-{delta}} (Dy{sub 0.33}Sr{sub 1.67}Ni{sub 0.8}Cu{sub 0.2}O{sub 4-{delta}}') compound crystallizes in tetragonal symmetry with space group I4/mmm (Z=2). The lattice parameters are found to be at room temperature a=3.7696(5) A and c=12.3747(2)more » A. The final reliability indices were: R{sub B}=5.219% and {chi}{sup 2}=3.47. Four probe electrical resistivity measurements were performed versus temperature in the range 294-579 K. A semiconducting behaviour over the whole range of temperature, with a conductivity maximum of 0.4 S cm{sup -1} is observed at 510 K. - Graphical abstract: DySr{sub 5}Ni{sub 2.4}Cu{sub 0.6}O{sub 12-{delta}} exhibits a semi-conducting behaviour over the whole temperature range 294-579 K with a conductivity maximum of 0.4 S cm{sup -1} at 510 K. Highlights: > We described our attempts to synthesize the pure compound DySr{sub 5}Ni{sub 2.4}Cu{sub 0.6}O{sub 12-{delta}}. > Product was characterized by XRD and electrical resistivity measurements. > Iodometric titration was used for the analysis of the oxygen nonstoichiometry. > Calculated tolerance factor was included in the tetragonal symmetry stability range. > Compound exhibits a semi-conducting behaviour over the whole temperature range 294-579 K.« less

  6. Solderability Study of RABiTS-Based YBCO Coated Conductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Yifei; Duckworth, Robert C; Ha, Tam T

    2011-01-01

    The solderability of commercially available YBa{sub 2}Cu{sub 3}O{sub 7-x} (YBCO) coated conductors that were made from Rolling Assisted Biaxially Textured Substrates (RABiTS)-based templates was studied. The coated conductors, also known as second-generation (2G) high temperature superconductor (HTS) wires (in the geometry of flat tapes about 4 mm wide), were laminated with copper, brass, or stainless steel strips as stabilizers. To understand the factors that influence their solderability, surface profilometry and scanning electron microscopy were used to characterize the wire surfaces. The solderability of three solders, 52In48Sn, 67Bi33In, and 100In (wt.%), was evaluated using a standard test (IPC/ECA J-STD-002) and withmore » two different commercial fluxes. It was found that the solderability varied with the solder and flux but the three different wires showed similar solderability for a fixed combination of solder and flux. Solder joints of the 2G wires were fabricated using the tools and the procedures recommended by the HTS wire manufacturer. The solder joints were made in a lap-joint geometry and with the superconducting sides of the two wires face-to-face. The electrical resistances of the solder joints were measured at 77 K, and the results were analyzed to qualify the soldering materials and evaluate the soldering process. It was concluded that although the selection of soldering materials affected the resistance of a solder joint, the resistivity of the stabilizer was the dominant factor.« less

  7. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Linlin; Yu, Jian, E-mail: jyu@tongji.edu.cn

    Robust insulating rhombohedral Bi{sub 1−x}La{sub x}Fe{sub 1−y}Ti{sub y}O{sub 3} multiferroic ceramics with 0.02 ≤ x ≤ 0.12 and 0.01 ≤ y ≤ 0.08 are prepared by a refined solid-state reaction electroceramic processing. Residual internal tensile stresses existed in the ceramics according to unit cell volume enlargement observed by X-ray diffraction and frequency redshifts of Raman modes related to Bi motion and oxygen octahedral rotation detected by Raman scattering measurements. Residual internal tensile stresses in the ceramics are believed to originate from structural phase transitions through an intermediate paraelectric rhombohedral phase with a negative thermal expansion coefficient in the transformation from paraelectric cubic to ferroelectric rhombohedral phases. All ofmore » the rhombohedral Bi{sub 1−x}La{sub x}Fe{sub 1−y}Ti{sub y}O{sub 3} ceramics exhibited a pinched polarization versus electric field hysteresis loop indicative of ferroelectric subswitching. We argue that the residual internal tensile stresses are responsible for such ferroelectric polarization subswitching behavior in the Bi{sub 1−x}La{sub x}Fe{sub 1−y}Ti{sub y}O{sub 3} ceramics.« less

  8. Structural study of Ti-doped CoFe{sub 2}O{sub 4} mixed spinel ferrite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Choudhary, P., E-mail: pankaj.7007@rediffmail.com; Sharma, P.; Dar, M. A.

    2016-05-06

    We present the results on atomic and lattice structure of the polycrystalline spinel ferrites system Co{sub 1-x} Ti{sub x}Fe{sub 2}O{sub 4} (x = 0.0, 0.25, 0.50) synthesized by following the conventional solid-state reaction route. The observed X-ray diffraction (XRD) data confirms that all the prepared samples are indexed in cubic crystal structure (space group Fd3m). Diffraction pattern showed TiO{sub 2} phase due to presence of Ti{sup +4} ions. Four Raman active phonon modes are observed for CoFe{sub 2}O{sub 4} sample existing around 295, 462, 585, 689, cm{sup −1} as Eg, T{sub 2g}(2), T{sub 2g}(3), and A{sub 1g}, respectively. With 25more » % Ti ion doping, the peak T{sub 2g}(3) disappears, while to that T{sub 2g}(1) emerges. This is an indication of presence of TiO{sub 2} phase in Co{sub 0.75}Ti{sub 0.25}Fe{sub 2}O{sub 4} and Co{sub 0.5}Ti{sub 0.5}Fe{sub 2}O{sub 4} ceramics.« less

  9. Preferentially oriented, High temperature superconductors by seeding and a method for their preparation

    DOEpatents

    Lee, Dominic F.; Kroeger, Donald M.; Goyal, Amit

    2001-01-01

    A multi-domained bulk REBa.sub.2 Cu.sub.3 O.sub.x with low-angle domain boundaries which resembles a quasi-single domained material and a method for producing the same comprising arranging multiple seeds, which can be small single crystals, single domained melt-textured REBa.sub.2 Cu.sub.3 O.sub.x pieces, textured substrates comprised of grains with low misorientation angles, or thick film REBa.sub.2 Cu.sub.3 O.sub.x deposited on such textured substrate, such seeds being tailored for various REBa.sub.2 Cu.sub.3 O.sub.x compounds, in specific pattern and relative seed orientations on a superconductor precursor material which may be placed in contact with a porous substrate so as to reduce the amount of liquid phase in the melt. Because seeds can be arranged in virtually any pattern, high quality REBa.sub.2 Cu.sub.3 O.sub.x elements of virtually unlimited size and complex geometry can be fabricated.

  10. Method for preparing preferentially oriented, high temperature superconductors using solution reagents

    DOEpatents

    Lee, Dominic F.; Kroeger, Donald M.; Goyal, Amit

    2002-01-01

    A multi-domained bulk REBa.sub.2 CU.sub.3 O.sub.x with low-angle domain boundaries which resemble a quasi-single domained material and a method for producing the same comprising arranging multiple seeds, which can be small single crystals, single domained melt-textured REBa.sub.2 CU.sub.3 O.sub.x pieces, textured substrates comprises of grains with low misorientation angles, or thick film REBa.sub.2 CU.sub.3 O.sub.x deposited on such textured substrate, such seeds being tailored for various REBa.sub.2 CU.sub.3 O.sub.x compounds, in specific pattern and relative seed orientations on a superconductor precursor material which may be placed in contact with a porous substrate so as to reduce the amount of liquid phase in the melt. Because seeds can be arranged in virtually any pattern, high quality REBa.sub.2 CU.sub.3 O.sub.x elements of virtually unlimited size and complex geometry can be fabricated.

  11. Synthesis, structure and characterization of two new copper(I)-thioarsenates (III) constructed by the [AsS{sub 3}]{sup 3-} and CuS{sub x} units

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua

    2013-02-15

    Two new copper(I)-thioarsenates(III), CsCu{sub 2}AsS{sub 3}(1) and KCu{sub 4}AsS{sub 4}(2), have been synthesized solvothermally in the presence of copper powder. Compound 1 is built up of trigonal AsS{sub 3} pyramid, tetrahedral CuAsS{sub 3} and CuS{sub 3} moieties forming 4-membered, 5-membered and 6-membered rings. The fusion of these rings produces layered anions [Cu{sub 2}AsS{sub 3}]{sup -}, and cesium cations are located between metal-sulfide layers. The structure of 2 consists of infinite [Cu{sub 2}S{sub 2}]{sup 2-} chain and layered [Cu{sub 6}As{sub 2}S{sub 6}] linked to form a three-dimensional anionic framework, [Cu{sub 4}AsS{sub 4}]{sup -}, and containing channels in which the potassium cationsmore » reside. - Graphical abstract: Qne layered CsCu{sub 2}AsS{sub 3} and one framework KCu{sub 4}AsS{sub 4} possessing noncondensed [AsS{sub 3}]{sup 3-} unit have been synthesized solvothermally. The optical band gaps of the two compounds are 2.3 and 1.8 eV, respectively. Highlights: Black-Right-Pointing-Pointer We obtained two new copper(I)-thioarsenate(III), CsCu{sub 2}AsS{sub 3} and KCu{sub 4}AsS{sub 4}. Black-Right-Pointing-Pointer Both compounds possess noncondensed [AsS{sub 3}]{sup 3-} unit and represent new structure types. Black-Right-Pointing-Pointer The optical band gaps of the two compounds are 2.3 eV and 1.8 eV, respectively.« less

  12. Effect of calcination temperature on microstructure and magnetic properties of Ni{sub 0.5}Zn{sub 0.25}Cu{sub 0.25} Fe{sub 2}O{sub 4} nanoparticles synthesized by sol-gel method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pransisco, Prengki, E-mail: prengkipransisco@gmail.com, E-mail: afza@petronas.com.my; Shafie, Afza, E-mail: prengkipransisco@gmail.com, E-mail: afza@petronas.com.my; Guan, Beh Hoe, E-mail: beh.hoeguan@petronas.com.my

    2014-10-24

    This paper examines the effect of calcination process on the structural and magnetic properties material nanostructure composite of Ni{sub 0Ð}œ‡{sub 5}Zn{sub 0Ð}œ‡{sub 25}Cu{sub 0.25} Fe{sub 2}O{sub 4} ferrites. The samples were successfully prepared by sol-gel method at different calcination temperature, which are 600°C, 700°C, 800°C and 900°C. Morphological investigation, average crystallite size and microstructure of the material were examined by using X-ray diffraction (XRD) and confirmed by high resolution transmission electron microscope (HRTEM) and field emission scanning electron microscope (FESEM). The effects of calcination temperature on the magnetic properties were calculated by using vibrating sample magnetometer (VSM). The XRD resultmore » shows single-phase cubic spinel structure with interval average size 5.9-38 nm, and grain size microstructure of the material was increasing with temperature increases. The highest magnetization saturation was reached at a temperature 800°C with value 53.89 emu/g, and the value coercive force (Hc) was inversely with the grain size.« less

  13. Seed crystals with improved properties for melt processing superconductors for practical applications

    DOEpatents

    Veal, B.W.; Paulikas, A.; Balachandran, U.; Zhong, W.

    1997-03-18

    A method of fabricating bulk superconducting material is disclosed including RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} comprising heating compressed powder oxides and/or carbonates of R and Ba and Cu present in mole ratios to form RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} in physical contact with an oxide single crystal seed to a temperature sufficient to form a liquid phase in the RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} while maintaining the single crystal seed solid to grow the superconducting material and thereafter cooling to provide a material including RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}. R is a rare earth or Y or La and the single crystal seed has a lattice mismatch with RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} of less than about 2% at the growth temperature. The starting material may be such that the final product contains a minor amount of R{sub 2}BaCuO{sub 5}.

  14. Seed crystals with improved properties for melt processing superconductors for practical applications

    DOEpatents

    Veal, Boyd W.; Paulikas, Arvydas; Balachandran, Uthamalingam; Zhong, Wei

    1997-01-01

    A method of fabricating bulk superconducting material including RBa.sub.2 Cu.sub.3 O.sub.7-.delta. comprising heating compressed powder oxides and/or carbonates of R and Ba and Cu present in mole ratios to form RBa.sub.2 Cu.sub.3 O.sub.7-.delta. in physical contact with an oxide single crystal seed to a temperature sufficient to form a liquid phase in the RBa.sub.2 Cu.sub.3 O.sub.7-.delta. while maintaining the single crystal seed solid to grow the superconducting material and thereafter cooling to provide a material including RBa.sub.2 Cu.sub.3 O.sub.7-.delta.. R is a rare earth or Y or La and the single crystal seed has a lattice mismatch with RBa.sub.2 Cu.sub.3 O.sub.7-.delta. of less than about 2% at the growth temperature. The starting material may be such that the final product contains a minor amount of R.sub.2 BaCuO.sub.5.

  15. Spin-triplet electron transport in hybrid superconductor heterostructures with a composite ferromagnetic interlayer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sheyerman, A. E., E-mail: karen@hitech.cplire.ru; Constantinian, K. Y.; Ovsyannikov, G. A.

    2015-06-15

    Hybrid YBa{sub 2}Cu{sub 3}O{sub 7−x}/SrRuO{sub 3}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/Au-Nb superconductor mesastructures with a composite manganite-ruthenate ferromagnetic interlayer are studied using electrophysical, magnetic, and microwave methods. The supercurrent in the mesastructure is observed when the interlayer thickness is much larger than the coherence length of ferromagnetic materials. The peak on the dependence of the critical current density on the interlayer material thickness corresponds to the coherence length, which is in qualitative agreement with theoretical predictions for a system with spit-triplet superconducting correlations. The magnetic-field dependence of the critical current is determined by penetration of magnetic flux quanta and by the magneticmore » domain structure, as well as by the field dependence of disorientation of the magnetization vectors of the layers in the composite magnetic interlayer. It is found that the supercurrent exists in magnetic fields two orders of magnitude stronger than the field corresponding to entry of a magnetic flux quantum into the mesastructure. The current-phase relation (CPR) of the supercurrent of mesastructures is investigated upon a change in the magnetic field from zero to 30 Oe; the ratio of the second CPR harmonic to the first, determined from the dependence of the Shapiro steps on the microwave radiation amplitude, does not exceed 50%.« less

  16. Tuning the charge carrier density in the thermoelectric colusite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Fiseong S.; Suekuni, Koichiro, E-mail: ksuekuni@hiroshima-u.ac.jp; Tanaka, Hiromi I.

    2016-05-07

    The colusite Cu{sub 26}V{sub 2}Sn{sub 6}S{sub 32} has high potential as a thermoelectric material at medium-high temperatures because of a large Seebeck coefficient (S ≃ 220 μV/K) and rather small electrical resistivity (ρ ≃ 100 μΩm) at 660 K. To improve the thermoelectric performance, we have tuned the hole carrier density p by substituting Zn for Cu in Cu{sub 26−x}Zn{sub x}V{sub 2}Sn{sub 6}S{sub 32} (x = 1–3) and starting with Cu and Sn deficient compositions in Cu{sub 26−y}V{sub 2}Sn{sub 6}S{sub 32} (y = 1, 2) and Cu{sub 26}V{sub 2}Sn{sub 6−z}S{sub 32} (z = 0.25–1), respectively. Powder x-ray diffraction and electron-probe microanalysis showed that the Zn-substituted samples and Sn-deficient (z ≥ 0.5)more » samples are formed in a single phase, whereas the Cu{sub 26−y}V{sub 2}Sn{sub 6}S{sub 32} samples are composed of two phases with slightly different compositions. Within these samples, the value of p at 300 K varies in the range between 3.6 × 10{sup 20} and 2.8 × 10{sup 21 }cm{sup −3}. The relation between p and S led to the effective mass m* of 4–7m{sub 0} for the hole carriers. The large S of the colusite is therefore ascribed to the heavy mass carriers of the valence band top. The decreases in p with x and y reduced the dimensionless thermoelectric figure of merit ZT, whereas the increase in p with z raised ZT from 0.56 (z = 0) to 0.62 (z = 0.5) at 660 K.« less

  17. Conditions and mechanisms for the formation of nano-sized Delafossite (CuFeO{sub 2}) at temperatures ≤90 °C in aqueous solution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    John, Melanie, E-mail: melanie.john@min.uni-muenchen.de; Heuss-Aßbichler, Soraya; Ullrich, Aladin

    In this study, we present the mechanism of CuFeO{sub 2} formation in aqueous solution at low temperatures ≤90 °C, using sulfate salts as reactants. Furthermore, we demonstrate the influence of experimental conditions (alkalization, reaction and ageing temperature and time) on the synthesized nanoparticles. In all cases, GR–SO{sub 4}, a Fe(II–III) layered double hydroxysulphate (Fe{sup 2+}{sub 4}Fe{sup 3+}{sub 2}(OH){sub 12}·SO{sub 4}) and Cu{sub 2}O precipitate first. During further OH{sup −} supply GR–SO{sub 4} oxidizes and forms Fe{sub 10}O{sub 14}(OH){sub 2}, Cu{sub 2}O and CuFeO{sub 2} crystals. Due to the high pH further CuFeO{sub 2} crystals grow at the cost of themore » unstable intermediate products. The reaction rate increases with increasing ageing temperature, reaction pH and, in particular, NaOH concentrations in the solution. As a result, highly crystalline CuFeO{sub 2} (3R and 2H polytypes) nanoparticles showing hexagonal morphology can be synthesized at 70 °C within 10 h or at 50 °C within 1 week. The formation of 2H polytype is favored by additional OH{sup −} supply during the pH-stat time and rather low temperatures. - Highlights: • We solve the formation mechanism of pure CuFeO{sub 2} using sulfates as reactants. • CuFeO{sub 2} nanoparticles crystallize on cost of green rust, Fe{sub 10}O{sub 14}(OH){sub 2} and Cu{sub 2}O. • The reaction rate increases with increasing temperature and OH- concentration. • CuFeO{sub 2} nanoparticles form at 50 °C within one week and at 70 °C within 10 h. • 2H-polytype of CuFeO{sub 2} is favored by additional NaOH supply during pH-stat-time.« less

  18. Effect of (Sr{sub 0.7}Ca{sub 0.3})TiO{sub 3}-substitution on structure, dielectric, ferroelectric, and magnetic properties of BiFeO{sub 3} ceramics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Juan; Liu, Xiao Qiang, E-mail: xqliu@zju.edu.cn, E-mail: xmchen59@zju.edu.cn; Chen, Xiang Ming, E-mail: xqliu@zju.edu.cn, E-mail: xmchen59@zju.edu.cn

    Bi{sub 1−x}(Sr{sub 0.7}Ca{sub 0.3}){sub x}Fe{sub 1−x}Ti{sub x}O{sub 3} ceramics were prepared by a standard solid state reaction process, and the influence of Sr/Ca ratio on structure and properties for Bi{sub 1−x}(Sr,Ca){sub x}Fe{sub 1−x}Ti{sub x}O{sub 3} system was discussed by comparing with Sr{sub 0.5}Ca{sub 0.5}TiO{sub 3}-modified BiFeO{sub 3} ceramics. Rietveld analysis of X-ray diffraction data revealed that the crystal structure changed from rhombohedral R3c (x ≤ 0.4) to orthorhombic Pnma (x = 0.6) with Sr{sub 0.7}Ca{sub 0.3}TiO{sub 3} substitution, and biphasic structure (R3c + Pnma) was determined at x = 0.5, while that for Bi{sub 1−x}(Sr{sub 0.5}Ca{sub 0.5}){sub x}Fe{sub 1−x}Ti{sub x}O{sub 3} system was at x = 0.4. This indicated thatmore » the morphotropic phase boundary in Bi{sub 1−x}(Sr,Ca){sub x}Fe{sub 1−x}Ti{sub x}O{sub 3} system shifted toward (Sr,Ca)TiO{sub 3} side with increasing Sr/Ca ratio. The Raman spectrometric analysis and selected area electron diffraction analysis also confirmed this transition. The dielectric relaxation could be well fitted by Arrhenius law, and the different activation energies were attributed to the different origins of the dielectric relaxations with increasing temperature. The current density-field (J-E) curves indicated that the leakage current was reduced to about five orders of magnitude with Sr{sub 0.7}Ca{sub 0.3}TiO{sub 3} substitution. The P-E hysteresis loops obtained by three different methods indicated the enhanced ferroelectricity at x = 0.4, and it could be attributed to the decrement of leakage current. Meanwhile, the magnetization was enhanced with Sr{sub 0.7}Ca{sub 0.3}TiO{sub 3} substitution, and the maximum remanent magnetization was determined at x = 0.2. The enhanced magnetization originated from the partial substitution of Fe{sup 3+} by Ti{sup 4+}.« less

  19. Thermal analysis of 3-mol%-yttria-stabilized tetragonal zirconia powder doped with copper oxide

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seidensticker, J.R.; Mayo, M.J.

    Thermal analysis was performed upon 3-mol%-yttria-stabilized tetragonal zirconia polycrystals (3Y-TZP) which had been doped with CuO using an aqueous adsorption technique. Cyclic differential thermal analysis (DTA) scans indicated that the CuO present on the powder surfaces first transforms to Cu{sub 2}O and then melts. The molten Cu{sub 2}O then reacts with yttria at the powder surfaces to form a new phase containing Y, Cu, and O. Because Y takes time to diffuse to the particle surfaces, the apparent melting point of this new phase appears at higher temperatures in initial DTA scans than in subsequent scans. Vaporization of the moltenmore » copper-oxide-rich phase at the temperatures studied causes a gradual shift in composition from Y{sub 2}Cu{sub 4}O{sub 5} to the less copper-rich Y{sub 2}Cu{sub 2}O{sub 5} phase. The presence of the Y{sub 2}Cu{sub 2}O{sub 5} phase in CuO-doped 3Y-TZP allows for previous sintering and superplasticity results to be explained.« less

  20. First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4}-based thin-film photovoltaics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Varley, J. B.; Lordi, V.; He, X.

    2016-01-14

    We investigate point defects in CdS buffer layers that may arise from intermixing with Cu(In,Ga)Se{sub 2} (CIGSe) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) absorber layers in thin-film photovoltaics (PV). Using hybrid functional calculations, we characterize the migration barriers of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities and assess the activation energies necessary for their diffusion into the bulk of the buffer. We find that Cu, In, and Ga are the most mobile defects in CIGS-derived impurities, with diffusion expected to proceed into the buffer via interstitial-hopping and cadmium vacancy-assisted mechanisms at temperatures ∼400 °C. Cu is predicted to stronglymore » favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps in real PV devices. Se, Zn, and Sn defects are found to exhibit much larger activation energies and are not expected to diffuse within the CdS bulk at temperatures compatible with typical PV processing temperatures. Lastly, we find that Na interstitials are expected to exhibit slightly lower activation energies than K interstitials despite having a larger migration barrier. Still, we find both alkali species are expected to diffuse via an interstitially mediated mechanism at slightly higher temperatures than enable In, Ga, and Cu diffusion in the bulk. Our results indicate that processing temperatures in excess of ∼400 °C will lead to more interfacial intermixing with CdS buffer layers in CIGSe devices, and less so for CZTSSe absorbers where only Cu is expected to significantly diffuse into the buffer.« less

  1. Influence of Fe ions on structural, optical and thermal properties of SnO{sub 2} nanoparticles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ahmed, Ateeq, E-mail: ateeqamu124@gmail.com; Tripathi, P.; Khan, Wasi

    2016-05-23

    In the present work, Fe doped SnO{sub 2} nanoparticles with the composition Sn{sub 1-x}Fe{sub x}O{sub 2} (x = 0, 0.02, 0.04 and 0.06) have been successfully synthesized using sol-gel auto combustion technique. The samples are characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray analysis (EDAX), Ultraviolet (UV-Visible) absorption spectroscopy and thermal gravimetric analysis (TGA). The XRD study shows that all the samples have been found in tetragonal rutile structure without any extra phase and average crystallite size which lies in the range of 6-17 nm. The EDAX spectrum confirmed the doping of Fe ion into tin oxidemore » nanomaterial. The optical band gap of doped SnO{sub 2} is found to decrease with increasing Fe ion concentration, which is due to the formation of donor energy levels in the actual band gap of SnO{sub 2}.« less

  2. Effect of band filling on anomalous Hall conductivity and magneto-crystalline anisotropy in NiFe epitaxial thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shi, Zhong; Jiang, Hang-Yu; Zhou, Shi-Ming, E-mail: shiming@tongji.edu.cn

    2016-01-15

    The anomalous Hall effect (AHE) and magneto-crystalline anisotropy (MCA) are investigated in epitaxial Ni{sub x}Fe{sub 1−x} thin films grown on MgO (001) substrates. The scattering independent term b of anomalous Hall conductivity shows obvious correlation with cubic magneto-crystalline anisotropy K{sub 1}. When nickel content x decreasing, both b and K{sub 1} vary continuously from negative to positive, changing sign at about x = 0.85. Ab initio calculations indicate Ni{sub x}Fe{sub 1−x} has more abundant band structures than pure Ni due to the tuning of valence electrons (band fillings), resulting in the increased b and K{sub 1}. This remarkable correlation betweenmore » b and K{sub 1} can be attributed to the effect of band filling near the Fermi surface.« less

  3. Structure and properties of α-NaFeO{sub 2}-type ternary sodium iridates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baroudi, Kristen, E-mail: kbaroudi@princeton.edu; Yim, Cindi; Wu, Hui

    2014-02-15

    The synthesis, structure, and elementary magnetic and electronic properties are reported for layered compounds of the type Na{sub 3−x}MIr{sub 2}O{sub 6} and Na{sub 3−x}M{sub 2}IrO{sub 6}, where M is a transition metal from the 3d series (M=Zn, Cu, Ni, Co, Fe and Mn). The rhombohedral structures, in space group R−3m, were determined by refinement of neutron and synchrotron powder diffraction data. No clear evidence for long range 2:1 or 1:2 honeycomb-like M/Ir ordering was found in the neutron powder diffraction patterns except in the case of M=Zn, and thus in general the compounds are best designated as sodium deficient α-NaFeO{submore » 2}-type phases with formulas Na{sub 1−x}M{sub 1/3}Ir{sub 2/3}O{sub 2} or Na{sub 1−x}M{sub 2/3}Ir{sub 1/3}O{sub 2}. Synchrotron powder diffraction patterns indicate that several of the compounds likely have honeycomb in-plane metal–iridium ordering with disordered stacking of the layers. All the compounds are sodium deficient under our synthetic conditions and are black and insulating. Weiss constants derived from magnetic susceptibility measurements indicate that Na{sub 0.62}Mn{sub 0.61}Ir{sub 0.39}O{sub 2}, Na{sub 0.80}Fe{sub 2/3}Ir{sub 1/3}O{sub 2}, Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2}, Na{sub 0.86}Cu{sub 1/3}Ir{sub 2/3}O{sub 2}, and Na{sub 0.89}Zn{sub 1/3}Ir{sub 2/3}O{sub 2} display dominant antiferromagnetic interactions. For Na{sub 0.90}Co{sub 1/3}Ir{sub 2/3}O{sub 2} the dominant magnetic interactions at low temperature are ferromagnetic while at high temperatures they are antiferromagnetic; there is also a change in the effective moment. Low temperature specific heat measurements (to 2 K) on Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2} indicate the presence of a broad magnetic ordering transition. X-ray absorption spectroscopy shows that iridium is at or close to the 4+ oxidation state in all compounds. {sup 23}Na nuclear magnetic resonance measurements comparing Na{sub 2}IrO{sub 3} to Na{sub 0.92}Ni{sub 1

  4. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yazdani, Ahmad, E-mail: Yazdania@modares.ac.ir; Shadrokh, Zohreh; Department of Physics, University of Shahrood, P.O. Box 316-36155, Shahrood

    Highlights: • Opto-crystalline character of the composition of Cu{sub 2}S and S{sub 2}Sn was considered. • The formation Cu{sub 2}SnS{sub 3} is strongly related to phase separation at interface. • The entanglement of phases is strongly due to the chemical bond competition. • The suggested fluctuation region is approved by PL spectra. • Reconstruction and cluster formation is evident by formation of flat-spiral flowers. - Abstract: Optical character of crystal structure of the composition of two different semiconducting metallic sulfides, Cu{sub 2}S and S{sub 2}Sn, in pure phase formation of the ternary chalcogenide Cu{sub 2}SnS{sub 3} was considered. Because ofmore » the difficulties related to the phase separation at the definite Eutectic temperature for the composite formation, which is evident in optical absorption fluctuations, solvothermal synthesis in the intermediate temperature range 180–220 °C seems convenient where tetragonal crystal structure is investigated by XRD. Absorption fluctuations below E = E{sub g} were more pronounced for the lower limit case (180 °C) reflected in a sharp peak located at 1.48 eV on S1 as seen in UV-PL measurement. The characteristic behavior of the interface, resulting in the reconstruction and cluster formation due to the offset of bond rupturing displacement of atomic positions, is in favor of aggregation instead of agglomeration, which is evident by formation of small flat-spiral flowers in SEM images.« less

  5. Effect of CeLa addition on the microstructures and mechanical properties of Al-Cu-Mn-Mg-Fe alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Du, Jiandi

    Development of high strength lithium battery shell alloy is highly desired for new energy automobile industry. The microstructures and mechanical properties of Al-Cu-Mn-Mg-Fe alloy with different CeLa additions were investigated through optical microscopy (OM), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rietveld refinement and tensile testing. Experimental results indicate that Al{sub 8}Cu{sub 4}Ce and Al{sub 6}Cu{sub 6}La phases formed due to CeLa addition. Addition of 0.25 wt.% CeLa could promote the formation of denser precipitation of Al{sub 20}Cu{sub 2}Mn{sub 3} and Al{sub 6}(Mn, Fe) phases, which improved the mechanical properties of the alloy at room temperature.more » However, up to 0.50 wt.% CeLa addition could promote the formation of coarse Al{sub 8}Cu{sub 4}Ce phase, Al{sub 6}Cu{sub 6}La phase and Al{sub 6}(Mn, Fe) phase, which resulted in weakened mechanical properties. - Highlights: •Al-Cu-Mn-Mg-Fe alloys with different CeLa addition were fabricated through casting and rolling. •Al{sub 8}Cu{sub 4}Ce and Al{sub 6}Cu{sub 6}La phases formed after CeLa addition. •Addition of 0.25 wt.% CeLa promoted formation of denser precipitates of Al{sub 20}Cu{sub 2}Mn{sub 3} and Al{sub 6}(Mn, Fe). •Mechanical properties of the alloy was improved after 0.25 wt.% CeLa addition.« less

  6. High-Resolution AES Mapping and TEM Study of Cu(In,Ga)Se2 Thin Film Growth: Preprint

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Perkins, C. L.; Yan, Y.; Jones, K.

    2001-10-01

    Presented at 2001 NCPV Program Review Meeting: TEM and high-resolution AES mapping data on CIGS samples. The chalcopyrite Cu(In,Ga)Se{sub 2} (CIGS) shows promise as an absorber layer in thin polycrystalline solar cells, however, details of the PVD growth of this complicated material remain in a developing stage. Previous workers have postulated the existence of a thin film of liquid Cu{sub x}Se on the growing CIGS film, and that this layer acts as a reservoir of copper as well as a layer in which rapid mass transport is possible. In this paper we present transmission electron microscopy (TEM) and high resolutionmore » Auger electron spectroscopy (AES) mapping data taken on samples that had their growth interrupted at a stage when Cu{sub x}Se was expected to be present. The AES maps show CIGS grains which are highly enriched in copper relative to the rest of the CIGS film, and that these same areas contain almost no indium, results consistent with the presence of CuxSe. Small-area diffraction analysis and energy dispersive spectroscopy (EDS) performed on these same samples independently confirm the presence of Cu{sub x}Se at the surface of growing CIGS films.« less

  7. Effect of Cu addition on the martensitic transformation of powder metallurgy processed Ti–Ni alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Yeon-wook, E-mail: ywk@gw.kmu.ac.kr; Choi, Eunsoo

    2014-10-15

    Highlights: • M{sub s} of Ti{sub 50}Ni{sub 50} powders is 22 °C, while M{sub s} of SPS-sintered porous bulk increases up to 50 °C. • M{sub s} of Ti{sub 50}Ni{sub 40}Cu{sub 20} porous bulk is only 2 °C higher than that of the powders. • Recovered stain of porous TiNi and TiNiCu alloy is more than 1.5%. - Abstract: Ti{sub 50}Ni{sub 50} and Ti{sub 50}Ni{sub 30}Cu{sub 20} powders were prepared by gas atomization and their transformation behaviors were examined by means of differential scanning calorimetry and X-ray diffraction. One-step B2–B19’ transformation occurred in Ti{sub 50}Ni{sub 50} powders, while Ti{sub 50}Ni{submore » 30}Cu{sub 20} powders showed B2–B19 transformation behavior. Porous bulks with 24% porosity were fabricated by spark plasma sintering. The martensitic transformation start temperature (50 °C) of Ti{sub 50}Ni{sub 50} porous bulk is much higher than that (22 °C) of the as-solidified powders. However, the martensitic transformation start temperature (35 °C) of Ti{sub 50}Ni{sub 30}Cu{sub 20} porous bulk is almost the same as that (33 °C) of the powders. When the specimens were compressed to the strain of 8% and then unloaded, the residual strains of Ti{sub 50}Ni{sub 50} and Ti{sub 50}Ni{sub 30}Cu{sub 20} alloy bulks were 3.95 and 3.7%, respectively. However, these residual strains were recovered up to 1.7% after heating by the shape memory phenomenon.« less

  8. Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4} devices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Varley, J. B.; Lordi, V.

    We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se){sub 2} (CIGS) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

  9. Cluster studies of La[sub 2]CuO[sub 4]: A mapping onto the Pariser--Parr--Pople (PPP) model

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Martin, R.L.

    1993-06-01

    The techniques of [ital ab] [ital initio] electronic structure theory are used to study Cu[sub 2]O[sub 7] and Cu[sub 2]O[sub 11] cluster models of La[sub 2]CuO[sub 4]. Fair agreement is obtained with the experimentally determined spin exchange constant [ital J] (90 meV calculated vs 125 meV measured) at the expense of quite large configuration interactions (CI) expansions. Results for various charge states of the cluster are well described by a single-band'' Pariser--Parr--Pople (PPP) model. As in earlier local-density-functional (LDF) based parameter determinations, the present work suggests these materials fall in the strong coupling regime. However, a significant intersite Coulomb repulsionmore » is found in the present research. It is of sufficient strength [ital V][similar to][ital U]/5 to indicate that charge fluctuations may be more important in these materials than generally believed.« less

  10. Reply to Comment on Axial oxygen-centered lattice instabilities in YBa[sub 2]Cu[sub 3]O[sub 7]: An application of the analysis of extended x-ray-absorption fine structure in anharmonic systems' ''

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mustre de Leon, J.; Batistic, I.; Bishop, A.R.

    1993-05-01

    We assert that the one-site Cu(1)-O(4) model, suggested in the Comment by Thomsen and Cardona [Phys. Rev. B 47, 12 320 (1993)] is inconsistent with polarized x-ray-absorption fine-structure and diffraction results. We also show that the two-site Cu(1)-O(4) distribution is not inconsistent with optical measurements, although a rigid double-well modeling of this distribution is [Phys. Rev. Lett. 68, 3236 (1992)].

  11. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Murgia, Fabrizio; Antitomaso, Philippe; Stievano, Lorenzo

    The ternary Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} was successfully synthetized using a simple and cost-effective solid-state microwave-assisted reaction. While solid-state routes require days of high-temperature treatment under inert atmosphere, highly pure and crystalline Cu{sub 2}Mo{sub 6}S{sub 8} could be obtained in only 400 s from this precursor, the Chevrel binary phase Mo{sub 6}S{sub 8} was then obtained by copper removal through acidic leaching, and was evaluated as a positive electrode material for Mg-battery. The electrochemical performance in half-cell configuration shows reversible capacity exceeding 80 mAh/g, which is comparable to previous works carried out with materials synthesized by conventional high-temperaturemore » solid-state routes. - Graphical abstract: Ultrafast micro-wave synthesis of Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} towards Mo{sub 6}S{sub 8} as positive electrode of Mg-battery. - Highlights: • Chevrel phase Cu{sub 2}Mo{sub 6}S{sub 8} is synthesized by fast microwave-assisted solid-state reaction. • Highly-pure and well-crystalline Cu{sub 2}Mo{sub 6}S{sub 8} is obtained. • Mo{sub 6}S{sub 8} obtained from leaching is tested as a positive electrode for Mg batteries.« less

  12. Synthesis of BiPbSrCaCuO superconductor

    DOEpatents

    Hults, W.L.; Kubat-Martin, K.A.; Salazar, K.V.; Phillips, D.S.; Peterson, D.E.

    1994-04-05

    A process and a precursor composition for preparing a lead-doped bismuth-strontium-calcium-copper oxide superconductor of the formula Bi[sub a]Pb[sub b]Sr[sub c]Ca[sub d]Cu[sub e]O[sub f] wherein a is from about 1.7 to about 1.9, b is from about 0.3 to about 0.45, c is from about 1.6 to about 2.2, d is from about 1.6 to about 2.2, e is from about 2.97 to about 3.2 and f is 10[+-]z by reacting a mixture of Bi[sub 4]Sr[sub 3]Ca[sub 3]Cu[sub 4]O[sub 16[+-]z], an alkaline earth metal cuprate, e.g., Sr[sub 9]Ca[sub 5]Cu[sub 24]O[sub 41], and an alkaline earth metal plumbate, e.g., Ca[sub 2[minus]x]Sr[sub x]PbO[sub 4] wherein x is about 0.5, is disclosed.

  13. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ritscher, A.; Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin; Hoelzel, M.

    In this work a series of stoichiometric Cu{sub 2}ZnSnS{sub 4} (CZTS) samples annealed at different temperatures in the range of 473–623 K were investigated. The temperature dependence of the Cu/Zn-order-disorder behavior was analyzed by neutron powder diffraction measurements. Cu fully occupies the 2a and Sn the 2b position within the whole temperature range. For Zn and the remaining Cu on sites 2d and 2c, a clear change from ordered to disordered kesterite structure is found. The critical temperature T{sub c} for this Landau-type second order transition was determined as 552±2 K. It was found that in Cu{sub 2}ZnSnS{sub 4} verymore » long annealing times are necessary to reach equilibrium at low temperatures. - Graphical abstract: The order-disorder transition in Cu{sub 2}ZnSnS{sub 4} was investigated using neutron diffraction techniques on samples annealed in the temperature range of 473–623 K. The critical temperature T{sub c} for this Landau-type second order transition was determined as 552±2 K. Display Omitted - Highlights: • The order-disorder transformation of Cu{sub 2}ZnSnS{sub 4} follows a Landau‐type behavior for a second order transition. • The critical exponent β is 0.57±0.06. • The critical temperature was determined as 552±2 K. • A fully ordered (within the standard deviation) Cu{sub 2}ZnSnS{sub 4} sample was synthesized.« less

  14. A naturally-occurring new lead-based halocuprate(I)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K.

    Pb{sub 2}Cu(OH){sub 2}I{sub 3} is a new type of halocuprate(I) that is a framework of alternating [Pb{sub 4}(OH){sub 4}]{sup 4+} and [Cu{sub 2}I{sub 6}{sup ]4−} units. The structure has been determined in orthorhombic space group Fddd to R{sub 1}=0.037, wR{sub 2}=0.057, GoF=1.016. Unit cell parameters are a=16.7082(9) Å, b=20.8465(15) Å, c=21.0159(14) Å, V=7320.0(8) Å{sup 3} (Z=32). There is no synthetic counterpart. The structure is based upon a cubane-like Pb{sub 4}(OH){sub 4} nucleus that is coordinated to sixteen iodide ions. Cu{sup +} ions are inserted into pairs of adjacent edge-sharing tetrahedral sites in the iodide motif to form [Cu{sub 2}I{sub 6}]{supmore » 4-} groups. The Raman spectrum of Pb{sub 2}Cu(OH){sub 2}I{sub 3} has two O-H stretching modes and as such is consistent with space group Fddd, with two non-equivalent OH groups, rather than the related space group I4{sub 1}/acd which has only one non-equivalent OH group. Consideration of the 18-electron rule implies that there is a Cu=Cu double bond, which may be consistent with the short Cu…Cu distance of 2.78 Å, although the dearth of published data on the interpretation of Cu…Cu distances in halocuprate(I) compounds does not allow a clear-cut interpretation of this interatomic distance. The orthorhombic structure is compared with that of the synthetic halocuprate(I) compound Pb{sub 2}Cu(OH){sub 2}BrI{sub 2} with space group I4{sub 1}/acd and having chains of corner-linked CuI{sub 4} tetrahedra rather than isolated Cu{sub 2}I{sub 6} pairs. The paired motif found in Pb{sub 2}Cu(OH){sub 2}I{sub 3} cannot be achieved in space group I4{sub 1}/acd and, conversely, the chain motif cannot be achieved in space group Fddd. As such, the space group defines either a chain or an isolated-pair motif. The existence of Pb{sub 2}Cu(OH){sub 2}I{sub 3} suggests a new class of inorganic halocuprate(I)s based upon the Pb{sub 4}(OH){sub 4} group. - Graphical abstract: Projection onto (100) of the structure

  15. Room temperature syntheses, crystal structures and properties of two new heterometallic polymers based on 3-ethoxy-2-hydroxybenzaldehyde ligand

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Shu-Hua, E-mail: zsh720108@163.com; Zhao, Ru-Xiao; Li, Gui

    Two new heterometallic coordination polymers [ZnNa(ehbd){sub 2}(N{sub 3})]{sub n} (1) and [Cu{sub 3}Na{sub 2}(ehbd){sub 2}(N{sub 3}){sub 6}]{sub n} (2) (Hehbd is 3-ethoxy-2-hydroxybenzaldehyde) have been synthesized under room temperature and structurally characterized by elemental analysis, IR, UV, TG and single crystal X-ray diffraction. Complex 1 crystallizes in the orthorhombic space group Pbca, showing a one-dimensional (1-D) chain. Complex 2 crystallizes in the triclinic space group Pī, constructing a heterometallic 2D layer structure. Luminescent properties and magnetic properties have been studied for 1 and 2, respectively and the fluorescence quantum yield of 1 is 0.077. - Highlights: • Two novel complexes 1more » and 2 have been synthesized. • Complex 1 represents a novel qualitative change of luminescence property. • Complex 2 displays ferromagnetic interaction through symmetric μ{sub 1,1}–N{sub 3} bridges. • Complex 2 displays anti-ferromagnetic interaction through asymmetric μ{sub 1,1}–N{sub 3} bridges.« less

  16. Vapor-liquid equilibria for 1,1,1,2-tetrafluoroethane + 1-chloro-1,2,2,2-tetrafluoroethane and 1-chloro-1,2,2,2-tetrafluoroethane + 1-chloro-1,1-difluoroethane systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, J.; Lee, J.; Kim, H.

    1996-07-01

    Isothermal vapor-liquid equilibria were determined for two binary mixtures of refrigerants with a circulation type apparatus. The 1,1,1,2-tetrafluoroethane (HFC-134a) + 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) system was studied at 296.45, 302.25, and 307.25 K. The 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) + 1-chloro-1,1-difluoroethane (HCFC-142b) system was studied at 298.15 and 312.15 K. At each temperature, the pressure and vapor and liquid compositions were measured. Results were correlated with the Peng-Robinson equation of state.

  17. Dimensional modulation and magnetic properties of triazole- and bis(triazole)-based copper(II) coordination polymers tuned by aromatic polycarboxylates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Ju-Wen; Zhao, Wei; Lu, Qi-Lin

    2014-04-01

    Five new metal–organic coordination polymers ([Cu{sub 3}(μ{sub 2}-OH){sub 2}(atrz){sub 2}(nph){sub 2}(H{sub 2}O){sub 2}]·2H{sub 2}O){sub n} (1), ([Cu{sub 2}(μ{sub 3}-OH)(atrz)(1,2,4-btc)]·2H{sub 2}O){sub n} (2), ([Cu{sub 2}(μ{sub 3}-OH)(atrz)(1,2,4-btc)(H{sub 2}O)]·H{sub 2}O){sub n} (3), [Cu(dth){sub 0.5}(nph)(H{sub 2}O)]{sub n} (4) and [Cu(dth)(Hnip){sub 2}]{sub n} (5) [atrz=4-amino-1,2,4-triazole, dth=N,N'-di(4H-1,2,4-triazole)hexanamide, H{sub 2}nph=3-nitrophthalic acid, 1,2,4-H{sub 3}btc=1,2,4-benzenetricarboxylic acid and H{sub 2}nip=5-nitroisophthalic acid] were hydrothermally synthesized and structurally characterized. Polymer 1 shows a one-dimensional (1D) chain. Polymers 2 and 3 exhibit similar tetranuclear Cu{sup II}{sub 4} cluster-based three-dimensional (3D) frameworks with the same components. Polymer 4 possesses a 3D framework with a 4{sup 12}·6{sup 3}-pcu topology. Polymer 5 displays a 3D frameworkmore » with a 4{sup 4}·6{sup 10}·8-mab topology. The magnetic properties of 1–4 were investigated. - Graphical abstract: Five triazole-based copper(II) polymers modulated by polycarboxylates were synthesized. Bis-triazole-bis-amide ligand and polycarboxylates play important roles in tuning dimensionality of polymers. Magnetic properties of polymers were investigated. - Highlights: • Five triazole- and bis(triazole)-based copper(II) coordination polymers tuned by aromatic polycarboxylates were obtained. • The aromatic polycarboxylates have an important influence on the dimensionality of five polymers. • The magnetic properties of four polymers were investigated.« less

  18. A 3D complex containing novel 2D Cu{sup II}-azido layers: Structure, magnetic properties and effects of 'Non-innocent' reagent

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gao, Xue-Miao; Guo, Qian; Zhao, Jiong-Peng, E-mail: horryzhao@yahoo.com

    A novel copper-azido coordination polymer, [Cu{sub 2}(N{sub 3}){sub 3}(L)]{sub n} (1, HL=pyrazine-2-carboxylic acid), has been synthesized by hydrothermal reaction with 'Non-innocent' reagent in the aqueous solution. In the reaction system, Cu{sup II} ions are avoided to reduce to Cu{sup I} ions due to the existence of Nd{sup III}. It is found that the complex is a 3D structure based on two double EO azido bridged trimmers and octahedron Cu{sup II} ions, in which the azide ligands take on EO and {mu}{sub 1,1,3} mode to form Cu{sup II}-azido 2D layers, furthermore L ligands pillar 2D layers into an infinite 3D frameworkmore » with the Schlaefli symbol of {l_brace}4;6{sup 2}{r_brace}4{l_brace}4{sup 2};6{sup 12};8{sup 10};10{sup 4}{r_brace}{l_brace}4{sup 2};6{sup 4}{r_brace}. Magnetic studies revealed that the interactions between the Cu{sup II} ions in the trimmer are ferromagnetic for the Cu-N-Cu angle nearly 98 Degree-Sign , while the interactions between the trimmer and octahedron Cu{sup II} ion are antiferromgantic and result in an antiferromagnetic state. - Graphical abstract: A 3D complex containing novel 2D Cu{sup II}-azido layers, [Cu{sub 2}(N{sub 3}){sub 3}(L)]{sub n} (HL=pyrazine-2-carboxylic acid), was synthesized by hydrothermal reaction and exhibit interesting structure and magnetic properties. Highlights: Black-Right-Pointing-Pointer 'Non-innocent' reagents plays a key role in the process of formation of this complex. Black-Right-Pointing-Pointer 2D layer is formed only by Cu{sup II} ions and azido ligands. Black-Right-Pointing-Pointer Pyrazine-2-carboxylate ligands reinforce 2D layers and pillar them into an infinite 3D framework. Black-Right-Pointing-Pointer Magnetic study indicates that alternating FM-AF coupling exists in the complex.« less

  19. Application of cluster-plus-glue-atom model to barrierless Cu–Ni–Ti and Cu–Ni–Ta films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Xiaona, E-mail: lixiaona@dlut.edu.cn; Ding, Jianxin; Wang, Miao

    To improve the thermal stability of copper and avoid its diffusion into surrounding dielectrics or interfacial reactions with them, the authors applied the cluster-plus-glue-atom model to investigate barrierless Cu–Ni–M (M = Ti or Ta) seed layers. The dissolution of the third element (Ti or Ta) in the Cu lattice with the aid of Ni significantly improved the thermal stability of the Cu seed layer. The appropriate M/Ni (M = Ti or Ta) ratio was selected to obtain a low resistivity: the resistivity was as low as 2.5 μΩ cm for the (Ti{sub 1.5/13.5}Ni{sub 12/13.5}){sub 0.3}Cu{sub 99.7} film and 2.8 μΩ cm for the (Ta{sub 1.1/13.1}Ni{sub 12/13.1}){submore » 0.4}Cu{sub 99.6} film after annealing at 500 °C for 1 h. After annealing at 500 °C for 40 h, the two films remained stable without forming a Cu{sub 3}Si compound. The authors confirmed that the range of applications of the cluster-plus-glue-atom model could be extended. Therefore, a third element M with negative enthalpies of mixing with both Cu and Ni could be selected, under the premise that the mixing enthalpy of M–Ni is more negative than that of M–Cu.« less

  20. Enhancement in sensitivity of copper sulfide thin film ammonia gas sensor: Effect of swift heavy ion irradiation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sagade, Abhay Abhimanyu; Sharma, Ramphal; Department of Chemistry, Hanyang University, Sungdong-Ku, Haengdang-dong 17, Seoul 133-791

    2009-02-15

    The studies are carried out on the effect of swift heavy ion (SHI) irradiation on surface morphology and electrical properties of copper sulfide (Cu{sub x}S) thin films with three different chemical compositions (x values). The irradiation experiments have been carried out on Cu{sub x}S films with x=1.4, 1.8, and 2 by 100 MeV gold heavy ions at room temperature. These as-deposited and irradiated thin films have been used to detect ammonia gas at room temperature (300 K). The SHI irradiation treatment on x=1.4 and 1.8 copper sulfide films enhances the sensitivity of the gas sensor. The results are discussed consideringmore » high electronic energy deposition by 100 MeV gold heavy ions in a matrix of copper sulfide.« less

  1. High temperature crystalline superconductors from crystallized glasses

    DOEpatents

    Shi, Donglu

    1992-01-01

    A method of preparing a high temperature superconductor from an amorphous phase. The method involves preparing a starting material of a composition of Bi.sub.2 Sr.sub.2 Ca.sub.3 Cu.sub.4 Ox or Bi.sub.2 Sr.sub.2 Ca.sub.4 Cu.sub.5 Ox, forming an amorphous phase of the composition and heat treating the amorphous phase for particular time and temperature ranges to achieve a single phase high temperature superconductor.

  2. Microwave absorption studies on high-T sub c superconductors and related materials II; Electron spin resonance of DPPH coated on Y sub 1 Ba sub 2 Cu sub 3 O sub y as a probe of magnetic field variations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sugawara, K.; Baar, D.J.; Shiohara, Y.

    1991-05-10

    This paper reports on the ESR linewidth ({Delta}{ital H}{sub p{bar p}}) of DPPH coated on the surface of powder specimens of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub y} studied under various magnetic field and temperature conditions. {Delta}{ital H}{sub p{bar p}} increases substantially with decreasing temperature in the field cooled case, whereas almost no linewidth broadening was found in the zero field cooled case. {Delta}{ital H}{sub p{bar p}} was found to be sensitive to the applied magnetic field. This effect was very pronounced at temperatures lower than 40 K, but decreased strongly with increasing temperature. The broadening of the resonance lineshape has beenmore » attributed to spatial and temporal variations of the fluxon distribution in the powder particles.« less

  3. Ultra-soft magnetic properties and correlated phase analysis by {sup 57}Fe Mössbauer spectroscopy of Fe{sub 74}Cu{sub 0.8}Nb{sub 2.7}Si{sub 15.5}B{sub 7} alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Manjura Hoque, S.; Liba, S. I.; Akhter, Shireen

    2016-02-15

    A detailed study of magnetic softness has been performed on FINEMENT type of ribbons by investigating the BH loop with maximum applied field of 960 A/m. The ribbon with the composition of Fe{sub 74}Cu{sub 0.8}Nb{sub 2.7}Si{sub 15.5}B{sub 7} was synthesized by rapid solidification technique and the compositions volume fraction was controlled by changing the annealing condition. Detail phase analysis was performed through X-ray diffraction (XRD), Differential scanning calorimetry (DSC), Vibrating sample magnetometer (VSM) and Mössbauer spectroscopy in order to correlate the ultrasoft magnetic properties with the volume fraction of amorphous and α-Fe(Si) soft nano composites. Bright (BF) and dark fieldmore » (DF) image with selective area diffraction (SAD) patterns by the transmission electron microscopy (TEM) of the sample annealed for the optimized annealed condition at 853 K for 3 min reveals nanocrystals with an average size between 10-15 nm possessing the bcc structure which matches with the grain size revealed by the X-ray diffraction. Kinetics of crystallization of α-Fe(Si) phases has been determined by DSC curves. Extremely small coercivity of 30.9 A/m and core loss of 2.5 W/Kg for the sample annealed at 853 K for 3 min was found. Similar values for other crystalline conditions were determined by using BH loop tracer with a maximum applied field of around 960 A/m. Mössbauer spectroscopy was used to determine chemical shift, hyperfine field distribution (HFD), and peak width of different phases. The volume fractions of the relative amount of amorphous and crystalline phases are also determined by Mössbauer spectroscopy. High saturation magnetization along with ultrasoft magnetic properties exhibits very high potentials technological applications.« less

  4. Influence of Ni-Cr substitution on the magnetic and electric properties of magnesium ferrite nanomaterials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Iqbal, Muhammad Javed, E-mail: mjiqauchem@yahoo.com; Ahmad, Zahoor; Meydan, Turgut

    2012-02-15

    Graphical abstract: Variation of saturation magnetization (M{sub S}) and magnetocrystalline anisotropy coefficient (K{sub 1}) with Ni-Cr content for Mg{sub 1-x}Ni{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x = 0.0-0.5). Highlights: Black-Right-Pointing-Pointer Mg{sub 1-x}Ni{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} are synthesized by novel PEG assisted microemulsion method. Black-Right-Pointing-Pointer High field regime of M-H loops are modeled using Law of Approach to saturation. Black-Right-Pointing-Pointer A considerable increase in the value of M{sub S} from 148 kA/m to 206 kA/m is achieved Black-Right-Pointing-Pointer {rho}{sup RT} enhanced to the order of 10{sup 9} {Omega}cm at potential operational range around 300 K. -- Abstract: The effect of variationmore » of composition on the structural, morphological, magnetic and electric properties of Mg{sub 1-x}Ni{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x = 0.0-0.5) nanocrystallites is presented. The samples were prepared by novel polyethylene glycol (PEG) assisted microemulsion method with average crystallite size of 15-47 nm. The microstructure, chemical, and phase analyses of the samples were studied by the scanning electron microscopy (SEM), atomic force microscopy (AFM), energy dispersive X-ray fluorescence (ED-XRF), and X-ray diffraction (XRD). Compositional variation greatly affected the magnetic and structural properties. The high-field regimes of the magnetic loops are modelled using the Law of Approach (LOA) to saturation in order to extract information about their anisotropy and the saturation magnetization. Thermal demagnetization measurements are carried out using VSM and significant enhancement of the Curie temperature from 681 K to 832 K has been achieved by substitution of different contents of Ni-Cr. The dc-electrical resistivity ({rho}{sup RT}) at potential operational range around 300 K is increased from 7.5 Multiplication-Sign 10{sup 8} to 4.85 Multiplication-Sign 10{sup 9} {Omega}cm with the increase in Ni

  5. Magnetic and electric modulus properties of In substituted Mg–Mn–Cu ferrites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kaiser, M., E-mail: m_kaiser17@hotmail.com

    2016-01-15

    Highlights: • Ferrite of composition Mg{sub 1−y}Cu{sub y}Mn{sub 0.1}In{sub x}Fe{sub 1.9−x}O{sub 4} with (0.0 ≤ x ≤ 0.4; y = 0.0; 0.1) has been synthesized. • Electric, magnetic and Mössbauer studies have been investigated. • The real and imaginary parts of electric modulus follow the Arrhenius law. • Saturation magnetization increases up to x = 0.2 and thereafter it decreases. • Good agreement between the magnetic and Mössbauer effect studies. - Abstract: Ferrite of composition Mg{sub (1−y)}Cu{sub (y)}Mn{sub (0.1)}In{sub (x)}Fe{sub (1.9−x)}O{sub 4} with (0.0 ≤ x ≤ 0.4; y = 0.0 and y = 0.1) has been synthesized by solidmore » state reaction technique. X-ray diffraction (XRD) patterns of the samples indicated the formation of single-phase cubic spinel structure up to 0.2 and mixed phase for samples x ≥ 0.3. Vibrating sample magnetometer (VSM) measurements indicated that the saturation magnetization increases up to x = 0.2 and thereafter it decreases. Electric modulus analysis was used as a tool to analyze the electrical behavior of the samples. The activation energies extracted from real M′ (ω) and imaginary M″ (ω) peaks were found to follow the Arrhenius law. The area ratio of Fe{sup 3+} at the tetrahedral A- and octahedral B-sites was deduced from the spectral analysis of Mössbauer measurements. The results give evidence that In{sup 3+} replaces Fe{sup 3+} at A-site in the range (0.0 < x ≤ 0.2). As the In{sup 3+} content increases; it replaces Fe at B-site.« less

  6. Demagnetizing fields of crystallites and a method for measuring the thermodynamic fields of quasi-single-crystal and polycrystalline thin YBa{sub 2}Cu{sub 3}O{sub 7-x} disks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rostami, Kh. R.

    The role of the demagnetizing fields of crystallites in HTSC samples is studied. An increase in the crystallite size is shown to suppress the intra-and intercrystalline critical currents of the sample in lower fields. The demagnetizing fields of crystallites are shown to be one of the main causes of the fact that the Bean model is invalid for HTSC samples. A method is proposed to measure the thermodynamic field of a superconductor; this method allows the first thermodynamic critical magnetic fields of the sample and its crystallites and 'subcrystallites' to be measured with a high accuracy. The first thermodynamic criticalmore » magnetic fields are used to estimate the critical current density J{sub c} of the sample, crystallites, and subcrystallites.« less

  7. Copper Sensing Function of Drosophila Metal-Responsive Transcription Factor-1 Is Mediated By a Tetranuclear Cu(I) Cluster

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, X.; Hua, H.; Balamurugan, K.

    2009-05-12

    Drosophila melanogaster MTF-1 (dMTF-1) is a copper-responsive transcriptional activator that mediates resistance to Cu, as well as Zn and Cd. Here, we characterize a novel cysteine-rich domain which is crucial for sensing excess intracellular copper by dMTF-1. Transgenic flies expressing mutant dMTF-1 containing alanine substitutions of two, four or six cysteine residues within the sequence {sup 547}CNCTNCKCDQTKSCHGGDC{sup 565} are significantly or completely impaired in their ability to protect flies from copper toxicity and fail to up-regulate MtnA (metallothionein) expression in response to excess Cu. In contrast, these flies exhibit wild-type survival in response to copper deprivation thus revealing that themore » cysteine cluster domain is required only for sensing Cu load by dMTF-1. Parallel studies show that the isolated cysteine cluster domain is required to protect a copper-sensitive S. cerevisiae ace1 strain from copper toxicity. Cu(I) ligation by a Cys-rich domain peptide fragment drives the cooperative assembly of a polydentate [Cu{sub 4}-S{sub 6}] cage structure, characterized by a core of trigonally S{sub 3} coordinated Cu(I) ions bound by bridging thiolate ligands. While reminiscent of Cu{sub 4}-L{sub 6} (L = ligand) tetranuclear clusters in copper regulatory transcription factors of yeast, the absence of significant sequence homology is consistent with convergent evolution of a sensing strategy particularly well suited for Cu(I).« less

  8. Suppression of activation energy and superconductivity by the addition of Al{sub 2}O{sub 3} nanoparticles in CuTl-1223 matrix

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jabbar, Abdul; Qasim, Irfan; Mumtaz, M.

    2014-05-28

    Low anisotropic (Cu{sub 0.5}Tl{sub 0.5})Ba{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10−δ} (CuTl-1223) high T{sub c} superconducting matrix was synthesized by solid-state reaction and Al{sub 2}O{sub 3} nanoparticles were prepared separately by co-precipitation method. Al{sub 2}O{sub 3} nanoparticles were added with different concentrations during the final sintering cycle of CuTl-1223 superconducting matrix to get the required (Al{sub 2}O{sub 3}){sub y}/CuTl-1223, y = 0.0, 0.5, 0.7, 1.0, and 1.5 wt. %, composites. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, energy dispersive X-ray, and dc-resistivity (ρ) measurements. The activation energy and superconductivity were suppressed with increasing concentration of Al{sub 2}O{sub 3} nanoparticles in (CuTl-1223) matrix.more » The XRD analysis showed that the addition of Al{sub 2}O{sub 3} nanoparticles did not affect the crystal structure of the parent CuTl-1223 superconducting phase. The suppression of activation energy and superconducting properties is most probably due to weak flux pinning in the samples. The possible reason of weak flux pinning is reduction of weak links and enhanced inter-grain coupling due to the presence of Al{sub 2}O{sub 3} nanoparticles at the grain boundaries. The presence of Al{sub 2}O{sub 3} nanoparticles at the grain boundaries possibly reduced the number of flux pinning centers, which were present in the form of weak links in the pure CuTl-1223 superconducting matrix. The increase in the values of inter-grain coupling (α) deduced from the fluctuation induced conductivity analysis with the increased concentration of Al{sub 2}O{sub 3} nanoparticles is a theoretical evidence of improved inter-grain coupling.« less

  9. Low temperature diffusion process using rare earth-Cu eutectic alloys for hot-deformed Nd-Fe-B bulk magnets

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Akiya, T., E-mail: akiya.takahiro@nims.go.jp; Sepehri-Amin, H.; Ohkubo, T.

    2014-05-07

    The low temperature grain boundary diffusion process using RE{sub 70}Cu{sub 30} (RE = Pr, Nd) eutectic alloy powders was applied to sintered and hot-deformed Nd-Fe-B bulk magnets. Although only marginal coercivity increase was observed in sintered magnets, a substantial enhancement in coercivity was observed when the process was applied to hot-deformed anisotropic bulk magnets. Using Pr{sub 70}Cu{sub 30} eutectic alloy as a diffusion source, the coercivity was enhanced from 1.65 T to 2.56 T. The hot-deformed sample expanded along c-axis direction only after the diffusion process as RE rich intergranular layers parallel to the broad surface of the Nd{sub 2}Fe{sub 14}B are thickened inmore » the c-axis direction.« less

  10. Multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Ken Shuang

    2004-11-01

    This report documents the author's efforts in the deterministic modeling of copper-sulfidation corrosion on non-planar substrates such as diodes and electrical connectors. A new framework based on Goma was developed for multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates. In this framework, the moving sulfidation front is explicitly tracked by treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and repeatedly performing re-meshing using CUBIT and re-mapping using MAPVAR. Three one-dimensional studies were performed for verifying the framework in asymptotic regimes. Limited model validation was also carried out by comparing computed copper-sulfide thickness with experimentalmore » data. The framework was first demonstrated in modeling one-dimensional copper sulfidation with charge separation. It was found that both the thickness of the space-charge layers and the electrical potential at the sulfidation surface decrease rapidly as the Cu{sub 2}S layer thickens initially but eventually reach equilibrium values as Cu{sub 2}S layer becomes sufficiently thick; it was also found that electroneutrality is a reasonable approximation and that the electro-migration flux may be estimated by using the equilibrium potential difference between the sulfidation and annihilation surfaces when the Cu{sub 2}S layer is sufficiently thick. The framework was then employed to model copper sulfidation in the solid-state-diffusion controlled regime (i.e. stage II sulfidation) on a prototypical diode until a continuous Cu{sub 2}S film was formed on the diode surface. The framework was also applied to model copper sulfidation on an intermittent electrical contact between a gold-plated copper pin and gold-plated copper pad; the presence of Cu{sub 2}S was found to raise the effective electrical resistance drastically. Lastly, future research needs in modeling atmospheric copper sulfidation are

  11. Synthesis of increased-density bismuth-based superconductors with cold isostatic pressing and heat treating

    DOEpatents

    Lanagan, Michael T.; Picciolo, John J.; Dorris, Stephen E.

    1997-01-01

    The present invention is directed to a process for producing high temperature superconducting ceramic materials. More particularly, the present invention is directed to a process that enhances the densification of Bi.sub.1.8 Pb.sub.0.4 Sr.sub.2 Ca.sub.2 Cu.sub.3 O.sub.10 "BSCCO" ceramics.

  12. Cuprate-titanate superconductor and method for making

    DOEpatents

    Toreki, R.; Poeppelmeier, K.; Dabrowski, B.

    1995-05-23

    A new copper oxide superconductor of the formula Ln{sub 1{minus}x}M{sub x}Sr{sub 2}Cu{sub 3{minus}y}Ti{sub y}O{sub 7+{delta}} is disclosed, and exhibits a {Tc} of 60 K with deviations from linear metallic behavior as high as 130 K. 2 Figs.

  13. Metabolism of 1-fluoro-1,1,2-trichloroethane, 1,2-dichloro-1,1-difluoroethane, and 1,1,1-trifluoro-2-chloroethane.

    PubMed

    Yin, H; Jones, J P; Anders, M W

    1995-03-01

    1-Fluoro-1,1,2-trichloroethane (HCFC-131a), 1,2-dichloro-1,1-difluoroethane (HCFC-132b), and 1,1,1-trifluoro-2-chloroethane (HCFC-133a) were chosen as models for comparative metabolism studies on 1,1,1,2-tetrahaloethanes, which are under consideration as replacements for ozone-depleting chlorofluorocarbons (CFCs). Male Fischer 344 rats were given 10 mmol/kg ip HCFC-131a or HCFC-132b or exposed by inhalation to 1% HCFC-133a for 2 h. Urine collected in the first 24 h after exposure was analyzed by 19F NMR and GC/MS and with a fluoride-selective ion electrode for the formation of fluorine-containing metabolites. Metabolites of HCFC-131a included 2,2-dichloro-2-fluoroethyl glucuronide, 2,2-dichloro-2-fluoroethyl sulfate, dichlorofluoroacetic acid, and inorganic fluoride. Metabolites of HCFC-132b were characterized as 2-chloro-2,2-difluoroethyl glucuronide, 2-chloro-2,2-difluoroethyl sulfate, chlorodifluoroacetic acid, chlorodifluoroacetaldehyde hydrate, chlorodifluoroacetaldehyde-urea adduct, and inorganic fluoride. HCFC-133a was metabolized to 2,2,2-trifluoroethyl glucuronide, trifluoroacetic acid, trifluoroacetaldehyde hydrate, trifluoroacetaldehyde-urea adduct, inorganic fluoride, and a minor, unidentified metabolite. With HCFC-131a and HCFC-132b, glucuronide conjugates of 2,2,2-trihaloethanols were the major urinary metabolites, whereas with HCFC-133a, a trifluoroacetaldehyde-urea adduct was the major urinary metabolite. Analysis of metabolite distribution in vivo indicated that aldehydic metabolites increased as fluorine substitution increased in the order HCFC-131a < HCFC-132b < HCFC-133a. With NADPH-fortified rat liver microsomes, HCFC-133a and HCFC-132b were biotransformed to trifluoroacetaldehyde and chlorodifluoroacetaldehyde, respectively, whereas HCFC-131a was converted to dichlorofluoroacetic acid. No covalently bound metabolites were detected by 19F NMR spectroscopy.(ABSTRACT TRUNCATED AT 250 WORDS)

  14. Local distortions and reduction in T/sub c/ in the ceramic superconductor La/sub 1. 8/Sr/sub 0. 2/Cu/sub 1-//sub x/Ag/sub x/O/sub 4/

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Muraleedharan, K.; Rambabu, D.

    1987-12-01

    Substitution of Ag for Cu in the high-T/sub c/ ceramic superconductor La/sub 1.8/Sr/sub 0.2/CuO/sub 4/ has been found to reduce T/sub c/. The infrared absorption spectra of these superconducting systems show that the vibrational mode, which disappears at xapprox.0.15 for La/sub 2-//sub x/Sr/sub x/CuO/sub 4/ appears at a reduced frequency in the Ag-substituted systems. It is argued that the local distortions around the Ag sites result in both the reduction of T/sub c/ as well as the appearance of the absorption peak at 630 cm/sup -1/.

  15. Metabolism of 1-Fluro-1,1,2-trichloroethane, 1,2-dichloro-1,1-difluoroethane, and 1,1,1-trifluoro-2-chloroethane

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yin, H.; Jones, J.P.; Anders, M.W.

    1995-03-01

    1-Fluoro-1,1,2-trichloroethane (HCFC-131a), 1,2-dichloro-1,1-difluoroethane (HCFC-132b), and 1,1,1-trifluoro-2-chloroethane (HCFC-133a) were chosen as models for comparative metabolism studies on 1,1,1,2-tetrahaloethanes, which are under consideration as replacements for ozone-depleting chlorofluorocarbons (CFCs). Male Fischer 344 rats were given 10 mmol/kg ip HCFC-131a or HCFC-132b or exposed by inhalation to 1% HCFC-133a for 2 h. Urine collected in the first 24 h after exposure was analyzed by {sup 19}F NMR and GC/MS and with a fluoride-selective ion electrode for the formation of fluorine-containing metabolites. Metabolites of HCFC-131a included 2,2-dichloro-2-fluoroethyl glucuronide, 2,2-dichloro-2-fluorethyl sulfate, dichlorofluoroacetic acid, and inorganic fluoride. Metabolites of HCFC-132b were characterized as 2-chloro-2,2-difluoroethyl glucuronide, 2-chloro-2,2-difluoroethylmore » sulfate, chlorodifluoroacetic acid, chlorodifluoroacetaldehyde hydrate, chlorodifluoroacetaldehyde-urea adduct, inorganic fluoride, and a minor, unidentified metabolite. With HCFC-131a and HCFC-132b, glucuronide conjugates of 2,2,2-trihaloethanols were the major urinary metabolites, whereas with HCFC-133a, a trifluroacetaldehyde-urea adduct was the major urinary metabolite. Analysis of metabolite distribution in vivo indicated that aldehydic metabolites increased as fluorine substitution increased in the order HCFC-131a < HCFC-132b < HCFC-133a. With NADPH-fortified rat liver microsomes, HCFC-133a and HCFC-133a and HCFC-132b were biotransformed to trifluoroacetaldehyde and chlorodifluoroacetaldehyde, respectively, whereas HCFC-131a was converted to dichlorofluoroacetic acid. No covalently bound metabolites of HCFC-131a and HCFC-133a metabolites were detected by {sup 19}F NMR spectroscopy. 18 refs., 2 figs., 3 tabs.« less

  16. 1,1,2-Trichloro-1,2,2-trifluoroethane (CFC-113)

    Integrated Risk Information System (IRIS)

    1,1,2 - Trichloro - 1,2,2 - trifluoroethane ( CFC - 113 ) ; CASRN 76 - 13 - 1 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health

  17. Nucleation and growth of oxide islands during the initial-stage oxidation of (100)Cu-Pt alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Luo, Langli; Zhou, Guangwen, E-mail: gzhou@binghamton.edu; Kang, Yihong

    2015-02-14

    The initial-stage oxidation of (100) Cu-Pt alloys has been examined by in situ environmental transmission electron microscopy and ex situ atomic force microscopy (AFM). It is shown that the oxidation proceeds via the nucleation and growth of Cu{sub 2}O islands that show dependence on the alloy composition and oxidation temperature. The kinetic measurements on the oxide nucleation reveal that both the nucleation density and surface coverage of Cu{sub 2}O islands can be promoted by alloying more Pt in the Cu-Pt alloys. Increasing the oxidation temperature above 700 °C results in the growth of large Cu{sub 2}O islands that transits to amore » dendritic growth morphology. The ex situ AFM studies reveal that the nucleation of oxide islands can occur on surface terraces and the subsequent oxide growth depletes local terrace Cu atoms that results in the formation of surface pits.« less

  18. Thin film seeds for melt processing textured superconductors for practical applications

    DOEpatents

    Veal, Boyd W.; Paulikas, Arvydas; Balachandran, Uthamalingam; Zhong, Wei

    1999-01-01

    A method of fabricating bulk superconducting material such as RBa.sub.2 Cu.sub.3 O.sub.7-.delta. where R is La or Y comprising depositing a thin epitaxially oriented film of Nd or Sm (123) on an oxide substrate. The powder oxides of RBa.sub.2 Cu.sub.3 O.sub.7-.delta. or oxides and/or carbonates of R and Ba and Cu present in mole ratios to form RBa.sub.2 Cu.sub.3 O.sub.7-.delta., where R is Y or La are heated, in physical contact with the thin film of Nd or Sm (123) on the oxide substrate to a temperature sufficient to form a liquid phase in the oxide or carbonate mixture while maintaining the thin film solid to grow a large single domain 123 superconducting material. Then the material is cooled. The thin film is between 200 .ANG. and 2000 .ANG.. A construction prepared by the method is also disclosed.

  19. Thin film seeds for melt processing textured superconductors for practical applications

    DOEpatents

    Veal, B.W.; Paulikas, A.; Balachandran, U.; Zhong, W.

    1999-02-09

    A method of fabricating bulk superconducting material such as RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} where R is La or Y comprising depositing a thin epitaxially oriented film of Nd or Sm (123) on an oxide substrate is disclosed. The powder oxides of RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} or oxides and/or carbonates of R and Ba and Cu present in mole ratios to form RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}, where R is Y or La are heated, in physical contact with the thin film of Nd or Sm (123) on the oxide substrate to a temperature sufficient to form a liquid phase in the oxide or carbonate mixture while maintaining the thin film solid to grow a large single domain 123 superconducting material. Then the material is cooled. The thin film is between 200 {angstrom} and 2000 {angstrom}. A construction prepared by the method is also disclosed.

  20. External anion effect on the synthesis of new MOFs based on formate and a twisted divergent ligands

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lago, Ana Belén, E-mail: ablago@uvigo.es; Carballo, Rosa; Lezama, Luis

    2015-11-15

    New copper(II) metal–organic compounds with the formulae [Cu{sub 3}Cl(HCO{sub 2}){sub 5}(SCS){sub 3}(H{sub 2}O){sub 2}]·8H{sub 2}O·EtOH (1) and [Cu{sub 3}(HCO{sub 2}){sub 4}(SCS){sub 4}(H{sub 2}O){sub 2}](NO{sub 3}){sub 2}·9H{sub 2}O (2) (SCS=bis(4-pyridylthio)methane) have been synthesized after a careful study of the reaction of the SCS ligand with copper(II) formate. The compounds were obtained in the presence of sodium chloride and nitrate salts under microwave irradiation. The influence of the anion at different metal/anion ratios on the final architecture has been studied. The new chloride-MOF 1 has been characterized by electron paramagnetic resonance (EPR), magnetic properties and single crystal X-ray diffraction studies. The thermalmore » stability and topological analysis have also been investigated. - Highlights: • Microwave synthesis of coordination polymers. • Anion-derived structural changes. • Influence of anions at different metal/anion ratios on the final architectures. • EPR and magnetic characterization of a MOF compound.« less

  1. Synthesis, crystal structure and magnetic characterization of metal(II) coordination polymers based on 2-carboxyethylphosphonic acid and 1,10-phenanthroline (metal=Cu, Co, Cd)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fernandez-Zapico, Eva; Montejo-Bernardo, Jose Manuel; D'Vries, Richard

    2011-12-15

    Three non-isostructural metal(II) coordination polymers (metal=copper, cobalt, cadmium) were synthesized under the same mild hydrothermal conditions (T=408 K) by mixture of the corresponding metal acetate with 2-carboxyethylphosphonic acid and 1,10-phenanthroline (1:1:1 M ratio) and their structures were determined by single-crystal X-ray diffraction. Cu{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2}(H{sub 2}O){sub 2} and Cd{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2} are triclinic (space group P-1) with a=7.908(5) A, b=10.373(5) A, c=11.515(5) A, {alpha}=111.683(5) Degree-Sign , {beta}=95.801(5) Degree-Sign , {gamma}=110.212(5) Degree-Sign (T=120 K), and a=8.162(5) A, b=9.500(5) A, c=11.148(5) A, {alpha}=102.623(5) Degree-Sign , {beta}=98.607(5) Degree-Sign ,more » {gamma}=113.004(5) Degree-Sign (T=293 K), respectively. In contrast, [Co{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2}({mu}-OH{sub 2})](H{sub 2}O) is orthorhombic (space group Pbcn) with a=21.1057(2) A, b=9.8231(1) A, c=15.4251(1) A (T=120 K). For these three compounds, structural features, including H-bond network and the {pi}-{pi} stacking interactions, and thermal stability are reported and discussed. None of the materials present a long-range magnetic order in the range of temperatures investigated from 300 K down to 1.8 K. - Graphical abstract: In same synthetic conditions, both the chemical and structural features of three transition metal(II) coordination polymers based on 2-carboxyethylphosphonate and 1-10 Prime -phenanthroline are influenced by the metal cation characteristics, leading to non-homologous materials with different properties, which show the high chemical versatility of this interesting system. Highlights: Black-Right-Pointing-Pointer Non-isostructural metal coordination polymers were synthesized under mild hydrothermal conditions. Black-Right-Pointing-Pointer Ligand

  2. Effects on crystal structure of CZTS thin films owing to deionized water and sulfurization treatment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nadi, Samia Ahmed; Chelvanathan, Puvaneswaran; Islam, M. A.

    2015-05-15

    To condense the cost and increase the production, using abundantly obtainable non-toxic elements, Cu{sub 2}ZnSnS{sub 4} (CZTS) seem to be a strong contender among the photovoltaic thin film technologies. Cu{sub 2}ZnSnS{sub 4} thin films were fabricated by RF magnetron sputtering system. CZTS were sputtered on Molybdenum (Mo) coated soda lime glass (SLG) using a single target sputtering technique. The sputtering parameters (base pressure, working pressure, Argon (Ar) flow rate, RF power and sputtering time) were kept same for all three types of films. For sulfurization, the temperature used was 500 °C. Finally, As-deposited film was immersed in DIW before undergoingmore » identical sulfurization profile. As-deposited film (Sample A), sulfurized films (Sample B) and sulfurized plus DIW treated (Sample C) were compared in terms of their structural properties by means of X-Ray Diffraction (XRD) measurement and Atomic Force Microscopy (AFM). Sample B and C showed peak of (1 1 2) planes of CZTS which are characteristics of stannite structure. Post deposition treatment on CZTS films proved to be beneficial as evident from the observed enhancement in the crystallinity and grain growth. Significant difference on grain size and area roughness could be observed from the AFM measurement. The roughness of Sample A, B and C increased from 5.007 nm to 20.509 nm and 14.183 nm accordingly. From XRD data secondary phases of Cu{sub x}MoS{sub x} could be observed.« less

  3. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²-[2... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10122 2-Propenoic acid, 2-methyl-, 1,1... new uses subject to reporting. (1) The chemical substance identified as 2-propenoic acid, 2-methyl-, 1...

  4. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²-[2... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10122 2-Propenoic acid, 2-methyl-, 1,1... new uses subject to reporting. (1) The chemical substance identified as 2-propenoic acid, 2-methyl-, 1...

  5. 40 CFR 721.10122 - 2-Propenoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]- 1,3...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 2-Propenoic acid, 2-methyl-, 1,1â²-[2... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10122 2-Propenoic acid, 2-methyl-, 1,1... new uses subject to reporting. (1) The chemical substance identified as 2-propenoic acid, 2-methyl-, 1...

  6. Cuprate-titanate superconductor and method for making

    DOEpatents

    Toreki, Robert; Poeppelmeier, Kenneth; Dabrowski, Bogdan

    1995-01-01

    A new copper oxide superconductor of the formula Ln.sub.1-x M.sub.x Sr.sub.2 Cu.sub.3-y Ti.sub.y O.sub.7+.delta. is disclosed, and exhibits a Tc of 60.degree. K. with deviations from linear metallic behavior as high as 130.degree. K.

  7. Synthesis and application of different phthalocyanine molecular sieve catalyst for oxidative desulfurization

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhao, Na; Li, Siwen; Wang, Jinyi

    2015-05-15

    M{sub 2}(PcAN){sub 2} (M=Fe, Co, Ni, Cu, Zn and Mn) anchored onto W-HZSM-5 (M{sub 2}(PcAN){sub 2}–W-HZSM-5) or the M{sub 2}(PcTN){sub 2} doping W-HZSM-5 (M{sub 2}(PcTN){sub 2}/W-HZSM-5) were prepared and their catalytic performances were tested for oxidative desulfurization in the presence of oxygen. Thiophene (T), benzothiophene (BT), and dibenzothiophene (DBT) were considered as sulfur compounds. Among zeolite-based catalysts, the Cu{sub 2}(PcAN){sub 2}–W-HZSM-5 and Cu{sub 2}(PcTN){sub 2}/W-HZSM-5 showed superior desulfurization performance and the activity of selectivity followed the order: T>BT>DBT. The effects of phthalocyanine concentration were studied by UV–Vis and calcination temperature was obtained by TG-DSC for Cu{sub 2}(PcTN){sub 2}/W-HZSM-5. Catalysts weremore » characterized by EA, IR, XRD, SEM, TEM, ICP, and N{sub 2} adsorption. Reaction time, temperature and the amount of catalyst were investigated as the important parameters for optimization of the reaction. Furthermore, a possible process of oxidative desulfurization and the reaction products were proposed. - Graphical abstract: The ODS reaction schematic shows the reaction mechanism of ultra-deep desulfurization. The sulfur compounds are oxidized to their corresponding sulfoxides or sulfones through the use of oxygen and catalysts. The reaction process of ultra-deep desulfurization. - Highlights: • A kind of novel catalyst for deep desulfurization was synthesized. • Cu{sub 2}(PcAN){sub 2}–W-HZSM-5 exhibits excellent catalytic performance for desulfurization. • The reaction conditions that affect desulfurization efficiency are investigated. • The reaction process of model sulfur compounds is proposed.« less

  8. Substituted 1,1,1-triaryl-2,2,2-trifluoroethanes and processes for their synthesis

    NASA Technical Reports Server (NTRS)

    Alston, William B. (Inventor); Gratz, Roy F. (Inventor)

    1994-01-01

    Synthetic procedures are given for tetraalkyl, tetraacid and dianhydrides substituted 1,1,1-triaryl-2,2,2-trifluoroethanes which comprises: (1) 1,1-bis (dialkylaryl) 1-aryl-2,2,2 trifluoroethane; (2) 1,1-bis (dicarboxyaryl) 1-aryl-2,2,2 trifluoroethane; or (3) cyclic dianhydride or diamine of 1,1-bis (dialkylaryl) 1-aryl-2,2,2 trifluoroethanes. The synthesis of (1) is accomplished by the condensation reaction of an aryltrifluoromethyl ketone with a dialkylaryl compound. The synthesis of (2) is accomplished by oxidation of (1). The synthesis dianhydride of (3) is accomplished by the conversion of (2) to its corresponding cyclic dianhydride. The synthesis of the diamine is accomplished by the similar reaction of an aryltrifluoromethyl ketone with aniline or alkyl substituted or disubstituted anilines. Also, other derivatives of the above are formed by nucleophilic displacement reactions.

  9. Substituted 1,1,1-Triaryl-2,2,2-Trifluoroethanes and Processes for their Synthesis

    NASA Technical Reports Server (NTRS)

    Alston, William B. (Inventor); Gratz, Roy F. (Inventor)

    1999-01-01

    Synthetic procedures to tetraalkyls. tetraacids and dianhydrides substituted 1,1,1-triaryl-2,2,2-trifluoroethanes which comprises: (1) 1.1-bis(dialkylaryl)-1-aryl-2,2,2 -trifluoroethane, (2) 1,1-bis(dicarboxyaryl)-1-aryl-2.2,2- trifluoroethane or (3) cyclic dianhydride or diamine of 1,1-bis(dialkylaryl)-1-aryl-2,2,2- trifluoroethanes. The synthesis of (1) is accomplished by the condensation reaction of an aryltrifluoromethyl ketone with a dialkylaryl compound. The synthesis of (2) is accomplished by oxidation of (1). The synthesis dianhydride of (3) is accomplished by the conversion of (2) to its corresponding cyclic dianhydride. The synthesis of the diamine is accomplished by the similar reaction of an aryltrifluoromethyl ketone with aniline or alkyl substituted or disubstituted anihnes. Also, other derivatives of the above are formed by nucleophilic displacement reactions.

  10. Substituted 1,1,1-triaryl-2,2,2-trifluoroethanes and processes for their synthesis

    NASA Technical Reports Server (NTRS)

    Alston, William B. (Inventor); Gratz, Roy F. (Inventor)

    1989-01-01

    Synthetic procedures are disclosed for tetraalkyls, tetraacids, and dianhydrides substituted 1,1,1-triaryl 2,2,2-trifluoroethanes which comprises: (1) 1,1-bis (dialkylaryl) 1-aryl 2,2,2-trifluoroethane, (2) 1,1-bis (dicarboxyaryl) 1-aryl 2,2,2-trifluoroethane, or (3) cyclic dianhydride or diamine of 1,1-bis (dialkylaryl) 1-aryl 2,2,2-trifluoroethanes. The synthesis of (1) is accomplished by the condensation reaction of an aryltrifluoromethyl ketone with a dialkylaryl compound. The synthesis of (2) is accomplished by the oxidation of (1). The synthesis dianhydride of (3) is accomplished by the conversion of (2) to its corresponding cyclic dianhydride. The synthesis of the diamine is accomplished by the similar reaction of an aryltrifluoromethyl ketone with aniline or aklyl substituted or disubstituted anilines. Also, other derivatives of the above are formed by nucleophilic displacement reactions.

  11. Substituted 1,1,1-triaryl 2,2,2-trifluoroethanes and processes for their synthesis

    NASA Technical Reports Server (NTRS)

    Alston, William B. (Inventor); Gratz, Roy F. (Inventor)

    1992-01-01

    Synthetic procedures to tetraalkyls, tetraacids, and dianhydrides substituted 1,1,1-triaryl 2,2,2-trifluoroethanes which comprises: (1) 1,1-bis(dialkylaryl) 1-aryl-2,2,2-trifluoroethane, (2) 1,1-bis(dicarboxyaryl) 1-aryl-2,2,2-trifluoroethane, or (3) cyclic dianhydride or diamine of 1,1-bis(dialkylaryl) 1-aryl-2,2,2-trifluoroethanes. The synthesis of (1) is accomplished by the condensation reaction of an aryltrifluoromethyl ketone with a dialkylaryl compound. The synthesis of (2) is accomplished by oxidation of (1). The synthesis dianhydride of (3) is accomplished by the conversion of (2) to its corresponding cyclic dianhydride. The synthesis of the diamine is accomplished by the similar reaction of an aryltrifluoromethyl ketone with aniline or alkyl substituted or disubstituted anilines. Also, other derivatives of the above are formed by nucleophilic displacement reactions.

  12. Low loss factor Co{sub 2}Z ferrite composites with equivalent permittivity and permeability for ultra-high frequency applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Su, Zhijuan; Chang, Hong; Sokolov, Alexander S.

    2014-08-11

    Ferrite composites of nominal composition Ba{sub 3}Co{sub 2+x}Ir{sub x}Fe{sub 24−2x}O{sub 41} were studied in order to achieve low magnetic and dielectric losses and equivalent permittivity and permeability over a frequency range of 0.3–1 GHz. Crystallographic structure was characterized by X-ray diffraction, which revealed a Z-type phase accompanied by increasing amounts of Y-type phase as the iridium amount was increased. The measured microwave dielectric and magnetic properties showed that the loss tan δ{sub ε} and loss tan δ{sub μ} decreased by 80% and 90% at 0.8 GHz with the addition of iridium of x = 0.12 and 0.15, respectively. An effective medium approximation was adopted to analyzemore » the composite ferrites having mixed phase structures. Moreover, adding Bi{sub 2}O{sub 3} enabled equivalent values of real permittivity and real permeability over the studied frequency range. The resultant data give rise to low loss factors, i.e., tan δ{sub ε}/ε′ = 0.008 and tan δ{sub μ}/μ′ = 0.037 at 0.8 GHz, while characteristic impedance was the same as that of free space.« less

  13. 1,1,2,2-Tetrachloroethane

    Integrated Risk Information System (IRIS)

    1,1,2,2 - Tetrachloroethane ; CASRN 79 - 34 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncar

  14. Method of forming superconducting Tl-Ba-Ca-Cu-O films

    DOEpatents

    Wessels, Bruce W.; Marks, Tobin J.; Richeson, Darrin S.; Tonge, Lauren M.; Zhang, Jiming

    1993-01-01

    A method of forming a superconducting Tl-Ba-Ca-Cu-O film is disclosed, which comprises depositing a Ba-Ca-Cu-O film on a substrate by MOCVD, annealing the deposited film and heat-treating the annealed film in a closed circular vessel with TlBa.sub.2 Ca.sub.2 Cu.sub.3 O.sub.x and cooling to form said superconducting film of TlO.sub.m Ba.sub.2 Ca.sub.n-1 Cu.sub.n O.sub.2n+2, wherein m=1,2 and n=1,2,3.

  15. The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Boltynjuk, E. V., E-mail: boltynjuk@gmail.com; Ubyivovk, E. V.; Kshumanev, A. M.

    2016-06-17

    The structural properties of a Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glasses were investigated. Cylindrical rods of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.

  16. Electrical properties of AC{sub 3}B{sub 4}O{sub 12}-type perovskite ceramics with different cation vacancies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Guizhong; Chen, Zhi; Sun, Xiaojun

    2015-05-15

    Highlights: • AC{sub 3}B{sub 4}O{sub 12} perovskite with different concentration cation vacancies were prepared. • Cell parameter decreases with the increase of concentration of cation vacancies. • PTCO and CTO remain high dielectric permittivity but depress loss greatly. • Dielectric loss associates with cation vacancies and motion of oxygen vacancies. - Abstract: AC{sub 3}B{sub 4}O{sub 12}-type perovskite CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO), □{sub 0.34}Pr{sub 0.67}Cu{sub 3}Ti{sub 4}O{sub 12} (PCTO), □{sub 1}Cu{sub 3}Ta{sub 2}Ti{sub 2}O{sub 12} (CTTO), □{sub 2}Cu{sub 2}Ta{sub 4}O{sub 12} (CTO) ceramics with different concentration cation vacancies were prepared through traditional solid state reaction method. X-ray diffraction analysis indicatedmore » that CCTO and PCTO are perovskite cubic with space group Im-3 (no. 204) while CTTO and CTO are Pm-3 (no. 200). Cell parameter of the samples dramatically increases with the increase of cation vacancies. Dielectric permittivity of them maintains very high value of ∼10{sup 4} from room temperature to 550 K but the dielectric loss is depressed with the increase of cation vacancies in the same space group. The dielectric properties and conductivity behavior were described by the Debye relaxation and the universal dielectric response, respectively. The effect mechanism of cation vacancy and crystal structure on carrier transposition were discussed.« less

  17. Significantly enhanced ferroelectricity and magnetic properties in (Sr{sub 0.5}Ca{sub 0.5})TiO{sub 3}-modified BiFeO{sub 3} ceramics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Juan; Liu, Xiao Qiang, E-mail: xqliu@zju.edu.cn, E-mail: xmchen59@zju.edu.cn; Chen, Xiang Ming, E-mail: xqliu@zju.edu.cn, E-mail: xmchen59@zju.edu.cn

    2015-05-07

    BiFeO{sub 3} multiferroic ceramics were modified by introducing (Sr{sub 0.5}Ca{sub 0.5})TiO{sub 3} to form solid solutions. The single phase structure was easy to be obtained in Bi{sub 1−x}(Sr{sub 0.5}Ca{sub 0.5}){sub x}Fe{sub 1−x}Ti{sub x}O{sub 3} (x = 0.2, 0.25, 0.3, and 0.4) solid solutions. Rietveld refinement of X-ray diffraction data revealed a transition from rhombohedral R3c (x = 0.2, 0.25, and 0.3) to orthorhombic Pnma (x = 0.4). Current density-field (J-E) characteristics indicated that the leakage current density was reduced by three orders of magnitude in Bi{sub 1−x}(Sr{sub 0.5}Ca{sub 0.5}){sub x}Fe{sub 1−x}Ti{sub x}O{sub 3} ceramics. Both the ferroelectricity and magnetic properties were significantly enhanced in the presentmore » solid solutions. P-E hysteresis loop measurements with dynamic leakage current compensation methods showed the significantly enhanced ferroelectric properties for x = 0.25 and 0.3 and the paraelectric behavior for x = 0.4. The best ferromagnetic characteristics were achieved in the composition of x = 0.25, where the saturated M-H loop was determined with M{sub r} = 34.8 emu/mol. The improvement of ferroelectricity was mainly due to the suppressed leakage current, and the enhanced magnetism originated from the partial substitution of Fe{sup 3+} by Ti{sup 4+}, which destroyed its previous spiral structure to allow the appearance of a macroscopic magnetization.« less

  18. Microstructural behavior of iron and bismuth added Sn-1Ag-Cu solder under elevated temperature aging

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ali, Bakhtiar, E-mail: engrbakhtiaralikhan@gmail.com; Sabri, Mohd Faizul Mohd, E-mail: faizul@um.edu.my; Jauhari, Iswadi, E-mail: iswadi@um.edu.my

    An extensive study was done to investigate the microstructural behavior of iron (Fe) and bismuth (Bi) added Sn-1Ag-0.5Cu (SAC105) under severe thermal aging conditions. The isothermal aging was done at 200 °C for 100 h, 200 h, and 300 h. Optical microscopy with cross-polarized light revealed that the grain size significantly reduces with Fe/Bi addition to the base alloy SAC105 and remains literally the same after thermal aging. The micrographs of field emission scanning electron microscopy (FESEM) with backscattered electron detector and their further analysis via imageJ software indicated that Fe/Bi added SAC105 showed a significant reduction in the IMCsmore » size (Ag{sub 3}Sn and Cu{sub 6}Sn{sub 5}), especially the Cu{sub 6}Sn{sub 5} IMCs, as well as β-Sn matrix and a refinement in the microstructure, which is due to the presence of Bi in the alloys. Moreover, their microstructure remains much more stable under severe thermal aging conditions, which is because of the presence of both Fe and Bi in the alloy. The microstructural behavior suggests that Fe/Bi modified SAC105 would have much improved reliability under severe thermal environments. These modified alloys also have relatively low melting temperature and low cost.« less

  19. Novel 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives: a patent review (2008 - 2011).

    PubMed

    Ferreira, Vitor F; da Rocha, David R; da Silva, Fernando C; Ferreira, Patrícia G; Boechat, Núbia A; Magalhães, Jorge L

    2013-03-01

    The triazoles represent a class of five-membered heterocyclic compounds of great importance for the preparation of new drugs with diverse biological activities because they may present several structural variations with the same numbers of carbon and nitrogen atoms. Due to the success of various triazoles that entered the pharmaceutical market and are still being used in medicines, many companies and research groups have shown interest in developing new methods of synthesis and biological evaluation of potential uses for these compounds. In this review, the authors explored aspects of patents for the 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole families, including prototypes being considered in clinical studies between 2008 and 2011. The triazoles have been studied for over a century as an important class of heterocyclic compounds and still attract considerable attention due to their broad range of biological activities. More recently, there has been considerable interest in the development of novel triazoles with anti-inflammatory, antiplatelet, antimicrobial, antimycobacterial, antitumoral and antiviral properties and activity against several neglected diseases. This review emphasizes recent perspective and advances in the therapeutically active 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivative patents between 2008 and 2011, covering the development of new chemical entities and new pharmaceuticals. Many studies have focused on these compounds as target structures and evaluated them in several biological targets. The preparation of 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives brings to light several issues. There is a need to find new, more efficient preparations for these triazoles that take into consideration current issues in green chemistry, energy saving and sustainability. New diseases are discovered and new viruses and bacteria continue to challenge mankind, so it is imperative to find new prototypes for these

  20. Structure and superconductivity in (Bi{sub 0.35}Cu{sub 0.65})Sr{sub 2}YCu{sub 2}O{sub 7} and related materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jennings, R.A.; Williams, S.P.; Greaves, C.

    1994-12-31

    The recently reported (Bi/Cu)Sr{sub 2}YCu{sub 2}O{sub 7} phase has been studied by time of flight powder neutron diffraction. The proposed 1212 structure has been confirmed and refinements have shown the oxygen in the (Bi/Cu)O layer is displaced by 0.78{angstrom} from the ideal (1/2,1/2,0) site (P4/mmm space group) along (100). Bond Valence Sum calculations have suggested oxidation states of Bi{sup 5+} and Cu{sup 2+} for the cations in the (Bi/Cu)O layers. The material is non-superconducting and all attempts to induce superconductivity have been unsuccessful. Work on the related material (Ce/Cu)Sr{sub 2}YCu{sub 2}O{sub y} has shown the ideal Ce content to bemore » 0.5 Ce per formula unit. The introduction of Ba (10%) onto the Sr site dramatically increases phase stability and also induces superconductivity (62K).« less

  1. Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol

    PubMed Central

    Zhang, Tao; Paluch, Krzysztof; Scalabrino, Gaia; Frankish, Neil; Healy, Anne-Marie; Sheridan, Helen

    2015-01-01

    The single enantiomer (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol (2), has recently been synthesized and isolated from its corresponding diastereoisomer (1). The molecular and crystal structures of this novel compound have been fully analyzed. The relative and absolute configurations have been determined by using a combination of analytical tools including X-ray crystallography, X-ray Powder Diffraction (XRPD) analysis and Nuclear Magnetic Resonance (NMR) spectroscopy. PMID:25750458

  2. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khader, S. Abdul, E-mail: khadersku@gmail.com; Parveez, Asiya; Sankarappa, T., E-mail: sankarappa@rediffmail.com

    The Magneto-electric composites (x) Ni{sub 0.7}Co{sub 0.1}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (1-x) BaTiO{sub 3} (x=10%, 20% and 30%) were synthesized by sintering mixtures of highly ferroelectric BaTiO{sub 3} (BT) and highly magneto-strictive component Ni{sub 0.7}Co{sub 0.1}Cu{sub 0.2}Fe{sub 2}O{sub 4} (NCCF). The presences of constituent phases in magneto-electric composites were probed by X-ray diffraction (XRD) studies. The peaks observed in the XRD spectrum indicated spinel cubic structure for NCCF ferrite phase and tetragonal perovskite structure for BT and, both spinel and pervoskite structures for synthesized ME composites. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscopemore » (FESEM). Frequency and composition dependent dielectric properties of synthesized composites were measured from 100 Hz to 1 MHz at room temperature using Hioki LCR Hi-TESTER. The dielectric dispersion is observed at lower frequencies for the synthesized ME composites. The hysteresis behavior was studied to understand the magnetic ordering in the synthesized composites using a Vibrating Sample Magnetometer (VSM). It is observed that the values of saturation magnetization increases along with the ferrite content.« less

  3. Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Jinfang, E-mail: zjf260@jiangnan.edu.cn; Wang, Chao; Wang, Yinlin

    2015-11-15

    The systematic study on the reaction variables affecting single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers (CPs) is firstly demonstrated. Five anionic single cyanide-bridged Mo(W)/S/Cu cluster-based CPs {[Pr_4N][WS_4Cu_3(CN)_2]}{sub n} (1), {[Pr_4N][WS_4Cu_4(CN)_3]}{sub n} (2), {[Pr_4N][WOS_3Cu_3(CN)_2]}{sub n} (3), {[Bu_4N][WOS_3Cu_3(CN)_2]}{sub n} (4) and {[Bu_4N][MoOS_3Cu_3(CN)_2]}{sub n} (5) were prepared by varying the molar ratios of the starting materials, and the specific cations, cluster building blocks and central metal atoms in the cluster building blocks. 1 possesses an anionic 3D diamondoid framework constructed from 4-connected T-shaped clusters [WS{sub 4}Cu{sub 3}]{sup +} and single CN{sup −} bridges. 2 is fabricated from 6-connected planar ‘open’ clusters [WS{sub 4}Cu{sub 4}]{supmore » 2+} and single CN{sup −} bridges, forming an anionic 3D architecture with an “ACS” topology. 3 and 4 exhibit novel anionic 2-D double-layer networks, both constructed from nest-shaped clusters [WOS{sub 3}Cu{sub 3}]{sup +} linked by single CN{sup −} bridges, but containing the different cations [Pr{sub 4}N]{sup +} and [Bu{sub 4}N]{sup +}, respectively. 5 is constructed from nest-shaped clusters [MoOS{sub 3}Cu{sub 3}]{sup +} and single CN{sup −} bridges, with an anionic 3D diamondoid framework. The anionic frameworks of 1-5, all sustained by single CN{sup −} bridges, are non-interpenetrating and exhibit huge potential void volumes. Employing differing molar ratios of the reactants and varying the cluster building blocks resulted in differing single cyanide-bridged Mo(W)/S/Cu cluster-based CPs, while replacing the cation ([Pr{sub 4}N]{sup +} vs. [Bu{sub 4}N]{sup +}) was found to have negligible impact on the nature of the architecture. Unexpectedly, replacement of the central metal atom (W vs. Mo) in the cluster building blocks had a pronounced effect on the framework. Furthermore, the photocatalytic activities of

  4. Health Assessment Document for 1,1,2-Trichloro-1,2,2-Trifluoroethane (Chlorofluorocarbon CFC-113)

    EPA Science Inventory

    Chlorofluorocarbon 113 (1,1,2-trichloro-1,2,2,-trifluoroethane) has little potential to cause direct adverse health effects at levels found or expected in the general environment (<4.2 ppb). Experimental data do not indicate adverse health effects in humans at a TLV of 1,000 ppm....

  5. 40 CFR 721.10336 - Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-oxo-2-propen-1-yl)-.omega.-([1,1â²-biphenyl]-2-yloxy)-. 721.10336 Section 721.10336 Protection of...-ethanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)-. (a) Chemical substance and...), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)- (PMN P-04-1; CAS No. 72009-86-0) is...

  6. 40 CFR 721.10336 - Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-oxo-2-propen-1-yl)-.omega.-([1,1â²-biphenyl]-2-yloxy)-. 721.10336 Section 721.10336 Protection of...-ethanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)-. (a) Chemical substance and...), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)- (PMN P-04-1; CAS No. 72009-86-0) is...

  7. 40 CFR 721.10336 - Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-oxo-2-propen-1-yl)-.omega.-([1,1â²-biphenyl]-2-yloxy)-. 721.10336 Section 721.10336 Protection of...-ethanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)-. (a) Chemical substance and...), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-([1,1′-biphenyl]-2-yloxy)- (PMN P-04-1; CAS No. 72009-86-0) is...

  8. The B(E2;4^+1->2^+1) / B(E2;2^+1->0^+1) Ratio in Even-Even Nuclei

    NASA Astrophysics Data System (ADS)

    Loelius, C.; Sharon, Y. Y.; Zamick, L.; G"Urdal, G.

    2009-10-01

    We considered 207 even-even nuclei throughout the chart of nuclides for which the NNDC Tables had data on the energies and lifetimes of the 2^+1 and 4^+1 states. Using these data we calculated for each nucleus the electric quadrupole transition strengths B(E2;4^+1->2^+1) and B(E2;2^+1->0^+1), as well as their ratio. The internal conversion coefficients were obtained by using the NNDC HSICC calculator. For each nucleus we plotted the B(E2) ratio against A, N, and Z. We found that for close to 90% of the nuclei considered the ratio had values between 0.5 and 2.5. Most of the outliers had magic numbers of protons or neutrons. Our ratio results were compared with the theoretical predictions for this ratio by different models--10/7 in the rotational model and 2 in the simplest vibrational model. In the rotational regions (for 150 < A < 180 and A > 220) the ratios were indeed close to 10/7. For the few nuclei thought to be vibrational the ratios were usually less than 2. Otherwise, we got a wide scatter of ratio values. Hence other models, including the NpNn scheme, must be considered in interpreting these results.

  9. Optically active antifungal azoles. XII. Synthesis and antifungal activity of the water-soluble prodrugs of 1-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-3-[4-(1H-1-tetrazolyl)phenyl]-2-imidazolidinone.

    PubMed

    Ichikawa, T; Kitazaki, T; Matsushita, Y; Yamada, M; Hayashi, R; Yamaguchi, M; Kiyota, Y; Okonogi, K; Itoh, K

    2001-09-01

    1-[(1R,2R)-2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-3-[4-(1H-1-tetrazolyl)phenyl]-2-imidazolidinone (1: TAK-456) was selected as a candidate for clinical trials, but since its water-solubility was insufficient for an injectable formulation, the quaternary triazolium salts 2 were designed as water-soluble prodrugs. Among the prodrugs prepared, 4-acetoxymethyl-1-[(2R,3R)-2-(2,4-difluorophenyl)-2-hydroxy-3-[2-oxo-3-[4-(1H-1-terazolyl)phenyl]-1-imidazolidinyl]butyl]-1H-1,2,4-triazolium chloride (2a: TAK-457) was selected as an injectable candidate for clinical trials based on the results of evaluations on solubility, stability, hemolytic effect and in vivo antifungal activities.

  10. Substrate interactions in dehalogenation of 1,2-dichloroethane, 1,2-dichloropropane, and 1,1,2-trichloroethane mixtures by Dehalogenimonas spp.

    PubMed

    Dillehay, Jacob L; Bowman, Kimberly S; Yan, Jun; Rainey, Fred A; Moe, William M

    2014-04-01

    When chlorinated alkanes are present as soil or groundwater pollutants, they often occur in mixtures. This study evaluated substrate interactions during the anaerobic reductive dehalogenation of chlorinated alkanes by the type strains of two Dehalogenimonas species, D. lykanthroporepellens and D. alkenigignens. Four contaminant mixtures comprised of combinations of the chlorinated solvents 1,2-dichloroethane (1,2-DCA), 1,2-dichloropropane (1,2-DCP), and 1,1,2-trichloroethane (1,1,2-TCA) were assessed for each species. Chlorinated solvent depletion and daughter product formation determined as a function of time following inoculation into anaerobic media revealed preferential dechlorination of 1,1,2-TCA over both 1,2-DCA and 1,2-DCP for both species. 1,2-DCA in particular was not dechlorinated until 1,1,2-TCA reached low concentrations. In contrast, both species concurrently dechlorinated 1,2-DCA and 1,2-DCP over a comparably large concentration range. This is the first report of substrate interactions during chlorinated alkane dehalogenation by pure cultures, and the results provide insights into the chlorinated alkane transformation processes that may be expected for contaminant mixtures in environments where Dehalogenimonas spp. are present.

  11. 1,1,1,2-Tetrafluoroethane

    Integrated Risk Information System (IRIS)

    1,1,1,2 - Tetrafluoroethane ; CASRN 811 - 97 - 2 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Nonca

  12. IRIS Toxicological Review of 1,1,2,2-Tetrachloroethane ...

    EPA Pesticide Factsheets

    EPA is releasing the draft report, Toxicological Review of 1,1,2,2-Tetrachloroethane, that was distributed to Federal agencies and White House Offices for comment during the Science Discussion step of the IRIS Assessment Development Process. Comments received from other Federal agencies and White House Offices are provided below with external peer review panel comments. The draft Toxicological Review of 1,1,2,2-Tetrachloroethane provides scientific support and rationale for the hazard and dose-response assessment pertaining to subchronic and chronic exposure to 1,1,2,2-Tetrachloroethane.

  13. Novel symmetrical coralloid Cu 3D superstructures: Solid-state synthesis from a Cu-carboxylate MOF and their in-situ thermal conversion

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen Lingyun, E-mail: lychen@cqu.edu.c; Shen Yongming; Bai Junfeng, E-mail: bjunfeng@nju.edu.c

    2009-08-15

    We describe here a one-step solid-state process for the synthesis of metal three-dimensional (3D) superstructures from a metal-organic framework (MOF). Novel symmetrical coralloid Cu 3D superstructures with surface interspersed with clusters of Cu nanoparticles were successfully synthesized by thermolysis of the [Cu{sub 3}(btc){sub 2}] (btc=benzene-1,3,5-tricarboxylato) MOF in a one-end closed horizontal tube furnace (OCTF). The obtained products were characterized by TGA, FT-IR, XRD, EDX, SEM, TEM, HRTEM and SAED. Different reaction conditions were discussed. Furthermore, the synthesized Cu samples were converted into CuO microstructures by in-situ calcination in the air. In addition, the possible formation mechanism was also proposed. Thismore » method is a simple and facile route, which builds a direct linkage between metal-carboxylate MOF crystals and metal nano- or microstructures and also opens a new application field of MOFs. - Graphical abstract: Novel symmetrical coralloid Cu 3D superstructures were synthesized by thermolysis of the [Cu{sub 3}(btc){sub 2}] (btc=benzene-1,3,5-tricarboxylato) MOF microcrystals in a one-end closed horizontal tube furnace (OCTF).« less

  14. Perspective: Maintaining surface-phase purity is key to efficient open air fabricated cuprous oxide solar cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hoye, Robert L. Z., E-mail: rlzh2@cam.ac.uk, E-mail: jld35@cam.ac.uk; Ievskaya, Yulia; MacManus-Driscoll, Judith L., E-mail: rlzh2@cam.ac.uk, E-mail: jld35@cam.ac.uk

    2015-02-01

    Electrochemically deposited Cu{sub 2}O solar cells are receiving growing attention owing to a recent doubling in efficiency. This was enabled by the controlled chemical environment used in depositing doped ZnO layers by atomic layer deposition, which is not well suited to large-scale industrial production. While open air fabrication with atmospheric pressure spatial atomic layer deposition overcomes this limitation, we find that this approach is limited by an inability to remove the detrimental CuO layer that forms on the Cu{sub 2}O surface. Herein, we propose strategies for achieving efficiencies in atmospherically processed cells that are equivalent to the high values achievedmore » in vacuum processed cells.« less

  15. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gargarella, P., E-mail: piter@ufscar.br; Departamento de Engenharia de Materiais, Universidade Federal de São Carlos, Rodovia Washington Luiz, Km 235, 13565-905 São Carlos, São Paulo; Pauly, S.

    The structural evolution of Ti{sub 50}Cu{sub 43}Ni{sub 7} and Ti{sub 55}Cu{sub 35}Ni{sub 10} metallic glasses during heating was investigated by in-situ synchrotron X-ray diffraction. The width of the most intense diffraction maximum of the glassy phase decreases slightly during relaxation below the glass transition temperature. Significant structural changes only occur above the glass transition manifesting in a change in the respective peak positions. At even higher temperatures, nanocrystals of the shape memory B2-Ti(Cu,Ni) phase precipitate, and their small size hampers the occurrence of a martensitic transformation.

  16. Exploring the Cr{sup 2+} doping effect on structural, vibrational and dielectric properties of Mn-Zn ferrites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Choudhary, Pankaj; Dar, M. A.; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com, E-mail: ty.ru123@gmail.com

    2016-05-23

    A series of Cr doped Mn-Zn ferrites with compositional formula Mn{sub 0.5}Zn{sub 0.5-x}Cr{sub x}Fe{sub 2}O{sub 4} (x = 0, 0.3, 0.5) were prepared by solid-state reaction route. X-ray diffraction (XRD) analysis reveals that the samples prepared are polycrystalline cubic spinel in structure (Fd3m) with some secondary phase of α–Fe{sub 2}O{sub 3}. Slight variation in the lattice parameter of Cr doped Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} has been observed due to difference in ionic radii of cations. Small shift in Raman modes towards higher wave number has been observed. Further the line width decreases with the doping ions. A giant dielectricmore » constant ~10{sup 4} is observed for parent Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} which is found to decrease with increase in Cr{sup 2+} doping. Low dielectric loss is observed for Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} and improves with Cr{sup 2+} doping at Zn{sup 2+} site.« less

  17. The 1,1,1-triaryl-2,2,2-trifluoroethanes and process for their synthesis

    NASA Technical Reports Server (NTRS)

    Kray, W. D.; Rosser, R. W. (Inventor)

    1981-01-01

    New 1,1,1-triaryl-2,2,2-trifluoroethanes in which the aryl radicals carry one or more substituents were prepared by condensation of trifluoroacetophenones with substituted phenyl compounds in the presence of catalytic quantities of trifluoromethylsulfonic acid. The reaction can be carried out under reflux in toluene or, for strikingly better results in certain cases, reactants are simply stirred at room temperature for about 24 to 48 hours.

  18. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ahmed, Asar; Gajbhiye, Namdeo S., E-mail: nsg@iitk.ac.i

    Cuprous oxide (Cu{sub 2}O) flower-like nanostructures doped with various metal ions i.e. Fe, Co, Ni and Mn have been synthesized by an organic phase solution method. The powder X-ray diffraction study clearly reveals them as single phase simple cubic cuprite lattice. Study of their magnetic properties have shown that these doped samples are ferromagnetic in nature; however, no such property was observed for the undoped Cu{sub 2}O sample. The magnitude of the ferromagnetic behavior was found to be dependent on the dopant metal ions amount, which increased consistently with its increase. As total magnetic moment contribution of the doped metalmore » ions calculated was insignificant, it is believed to have originated from the induced magnetic moments at cation deficiency sites in the material, created possibly due to the disturbance of the crystal lattice by the dopant ions. The existence of the defects has been supported by photoluminescence spectra of the doped samples. -- Graphical abstract: Room temperature ferromagnetic behavior was observed in the Cu{sub 2}O nanoflowers doped with Fe, Co, Ni and Mn ions. Cation deficiencies formed due to dopant ions were possibly responsible for ferromagnetism. Display Omitted« less

  19. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khader, S. Abdul, E-mail: khadersku@gmail.com; Sankarappa, T., E-mail: sankarappa@rediffmail.com; Giridharan, N. V.

    The Magneto-electric composites (x) Mg{sub 0.2}Cu{sub 0.3}Zn{sub 0.5}Fe{sub 2}O{sub 4} + (1-x) Ba{sub 0.8}Zr{sub 0.2}TiO{sub 3} (x=15%,30%,45%) were synthesized by sintering mixtures of highly ferroelectric Ba{sub 0.8}Zr{sub 0.2}TiO{sub 3} (BZT) and highly magneto-strictive component Mg{sub 0.2}Cu{sub 0.3}Zn{sub 0.5}Fe{sub 2}O{sub 4} (MCZF). The presences of two phases in magneto-electric composites were probed by X-ray diffraction (XRD) studies. The peaks observed in the XRD spectrum indicated spinel cubic structure for MCZF ferrite and tetragonal perovskite structure for BZT and, both spinel and pervoskite structures for synthesized composites. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM).more » Frequency dependent dielectric properties of synthesized composites were measured from 100 Hz to 1 MHz at RT using HIOKI LCR HI-TESTER. The dielectric dispersion is observed at lower frequencies for the synthesized ME composites. The magnetic properties of synthesized composites were analyzed using a Vibrating Sample Magnetometer (VSM). It is observed that the values of saturation magnetization increases along with the ferrite content.« less

  20. A 2-1-1 Research Collaboration

    PubMed Central

    Eddens, Katherine S.; Alcaraz, Kassandra I.; Kreuter, Matthew W.; Rath, Suchitra; Greer, Regina

    2012-01-01

    Background 2-1-1 serves as a lifeline in times of crises. These crises often cause a spike in call volume that can challenge 2-1-1’s ability to meet their service quality standards. For researchers gathering data through 2-1-1s, a sudden increase in call volume might reduce accrual as 2-1-1 has less time to administer study protocols. Research activities imbedded in 2-1-1 systems may directly affect 2-1-1 service quality indicators. Purpose Using data from a 2-1-1 research collaboration, this paper examines the impact of crises on call volume to 2-1-1, how call volume affects research participant accrual through 2-1-1, and how research recruitment efforts affect 2-1-1 service quality indicators. Methods t-tests were used to examine the effect of call volume on research participant accrual. Linear and logistic regressions were used to examine the effect of research participant accrual on 2-1-1 service quality indicators. Data were collected June 2010–December 2011; data were analyzed in 2012. Results Findings from this collaboration suggest that crises causing spikes in call volume adversely affect 2-1-1 service quality indicators as well as accrual of research participants. Administering a brief (2–3 minute) health risk assessment did not negatively affect service quality, but administering a longer (15–18 minute) survey had a modest adverse effect on these indicators. Conclusions In 2-1-1 research collaborations, both partners need to understand the dynamic relationship between call volume, research accrual, and service quality, and adjust expectations accordingly. If research goals include administering a longer survey, increased staffing of 2-1-1 call centers may be needed to avoid compromising service quality. PMID:23157769

  1. Local ordering and magnetism in Ga{sub 0.9}Fe{sub 3.1}N

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Burghaus, Jens; Sougrati, Moulay T., E-mail: moulay-tahar.sougrati@univ-montp2.fr; Moechel, Anne

    Prior investigations of the ternary nitride series Ga{sub 1-x}Fe{sub 3+x}N (0{<=}x{<=}1) have indicated a transition from ferromagnetic {gamma}'-Fe{sub 4}N to antiferromagnetic 'GaFe{sub 3}N'. The ternary nitride 'GaFe{sub 3}N' has been magnetically and spectroscopically reinvestigated in order to explore the weakening of the ferromagnetic interactions through the gradual incorporation of gallium into {gamma}'-Fe{sub 4}N. A hysteretic loop at RT reveals the presence of a minority phase of only 0.1-0.2 at%, in accord with the sound two-step synthesis. The composition of the gallium-richest phase 'GaFe{sub 3}N' was clarified by Prompt Gamma-ray Activation Analysis and leads to the berthollide formula Ga{sub 0.91(1)}Fe{sub 3.09(10)}N{submore » 1.05(7)}. Magnetic measurements indicate a transition around 8 K, further supported by Moessbauer spectral data. The weakening of the ferromagnetic coupling through an increasing gallium concentration is explained by a simple Stoner argument. In Ga{sub 0.9}Fe{sub 3.1}N, the presence of iron on the gallium site affects the magnetism by the formation of 13-atom iron clusters. - Graphical Abstract: The crystal structure of GaFe{sub 3}N with green nitrogen atoms in the very center, red iron atoms at the face centers, and gray gallium atoms at the corner positions. Highlights: > Almost phase-pure synthesis of Ga{sub 0.9}Fe{sub 3.1}N. > Prompt gamma-ray activation analysis yields precise composition. > Magnetic ordering of the facial Fe atoms at the lowest temperatures. > Moessbauer spectroscopy suggests percolation or RKKY-type interaction. > Fe{sub 13} clusters due to berthollide character.« less

  2. Investigation of significantly high barrier height in Cu/GaN Schottky diode

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Garg, Manjari, E-mail: meghagarg142@gmail.com; Kumar, Ashutosh; Singh, R.

    2016-01-15

    Current-voltage (I-V) measurements combined with analytical calculations have been used to explain mechanisms for forward-bias current flow in Copper (Cu) Schottky diodes fabricated on Gallium Nitride (GaN) epitaxial films. An ideality factor of 1.7 was found at room temperature (RT), which indicated deviation from thermionic emission (TE) mechanism for current flow in the Schottky diode. Instead the current transport was better explained using the thermionic field-emission (TFE) mechanism. A high barrier height of 1.19 eV was obtained at room temperature. X-ray photoelectron spectroscopy (XPS) was used to investigate the plausible reason for observing Schottky barrier height (SBH) that is significantlymore » higher than as predicted by the Schottky-Mott model for Cu/GaN diodes. XPS measurements revealed the presence of an ultrathin cuprous oxide (Cu{sub 2}O) layer at the interface between Cu and GaN. With Cu{sub 2}O acting as a degenerate p-type semiconductor with high work function of 5.36 eV, a high barrier height of 1.19 eV is obtained for the Cu/Cu{sub 2}O/GaN Schottky diode. Moreover, the ideality factor and barrier height were found to be temperature dependent, implying spatial inhomogeneity of barrier height at the metal semiconductor interface.« less

  3. Synthesis of N1-tritylethane-1,1,2,2-d4-1,2-diamine: a novel mono-protected C-deuterated ethylenediamine synthon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Jun; Hong, Kunlun; Bonnesen, Peter V

    2012-01-01

    A convenient and high-yield synthesis for N1-tritylethane-1,1,2,2-d4-1,2-diamine, a novel mono-protected ethylenediamine-C-d4, is reported. N1-tritylethane-1,1,2,2-d4-1,2-diamine was prepared in three steps from ethylene oxide-d4 in a combined yield in the range 68-76%. Also reported is a synthesis of ethylenediamine-C-d4 in two steps from 1,2-dibromoethane-d4 in a combined yield in the range 61-65%.

  4. 77Se NMR Investigation of the KxFe2−ySe2 high-Tc Superconductor (Tc = 33 K)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Petrovic, C.; Torchetti, D.A. Fu, M.; Christensen, D.C.

    2011-03-18

    We report comprehensive {sup 77}Se NMR measurements on a single crystalline sample of the recently discovered FeSe-based high-temperature superconductor K{sub x}Fe{sub 2-y}Se{sub 2} (T{sub c} = 33 K) in a broad temperature range up to 290 K. Despite deviations from the stoichiometric KFe{sub 2}Se{sub 2} composition, we observed {sup 77}Se NMR line shapes as narrow as 4.5 kHz under a magnetic field applied along the crystal c axis, and found no evidence for co-existence of magnetic order with superconductivity. On the other hand, the {sup 77}Se NMR line shape splits into two peaks with equal intensities at all temperatures whenmore » we apply the magnetic field along the ab plane. This suggests that K vacancies may have a superstructure and that the local symmetry of the Se sites is lower than the tetragonal fourfold symmetry of the average structure. This effect might be a prerequisite for stabilizing the s{sub {+-}} symmetry of superconductivity in the absence of the hole bands at the Brillouin zone center. From the increase of NMR linewidth below T{sub c} induced by the Abrikosov lattice of superconducting vortices, we estimate the in-plane penetration depth {lambda}{sub ab} {approx} 290 nm and the carrier concentration n{sub e} {approx} 1 x 10{sup +21} cm{sup -3}. Our Knight shift {sup 77}K data indicate that the uniform spin susceptibility decreases progressively with temperature, in analogy with the case of FeSe (T{sub c} {approx} 9 K) as well as other FeAs high-T{sub c} systems. The strong suppression of {sup 77}K observed immediately below T{sub c} for all crystal orientations is consistent with a singlet pairing of Cooper pairs. We do not however observe the Hebel-Slichter coherence peak of the nuclear spin-lattice relaxation rate 1/T1 immediately below T{sub c}, expected for conventional BCS s-wave superconductors. In contrast with the case of FeSe, we do not observe evidence for an enhancement of low-frequency antiferromagnetic spin fluctuations near T

  5. High-pressure/high-temperature synthesis and characterization of the first palladium or platinum containing lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Heymann, Gunter, E-mail: Gunter.Heymann@uibk.ac.at; Niehaus, Oliver; Krüger, Hannes

    The new lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were obtained via multianvil high-pressure/high-temperature syntheses at 8 GPa and 1150 °C starting from a stoichiometric mixture of lithium nitride, sulfur, and palladium or platinum. Single crystal structure analyses indicated the space group P2{sub 1}/c (no. 14) with the following lattice parameters and refinement results: a=492.9(1), b=1005.9(2), c=614.9(2) pm, β=110.9 (1)°, R1=0.0165, wR2=0.0308 (all data) for Li{sub 2}Pd{sub 3}S{sub 4} and a=498.2(1), b=1005.5(2), c=613.0(2) pm, β=110.8(1)°, R1=0.0215, wR2=0.0450 (all data) for Li{sub 2}Pt{sub 3}S{sub 4}. The crystal structures are built up from two distinct Pd/Pt sites, one of whichmore » is a special position (0,0,0), two sulfur sites, and one lithium site. The atoms Pd2/Pt2 form isolated square planar PdS{sub 4}/PtS{sub 4} units, whereas the Pd1/Pt1 atoms form pairs of square planar PdS{sub 4}/PtS{sub 4} units, which are connected via a common edge. These two structural motives built up a three-dimensional network structure by linking through common corners. The lithium atoms are positioned inside of the so formed channels. Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are isostructural to the minerals jaguéite, Cu{sub 2}Pd{sub 3}Se{sub 4} and chrisstanleyite, Ag{sub 2}Pd{sub 3}Se{sub 4}, which are up to now the only representatives of this structure type. Both compounds were studied with respect to their magnetic properties and can be classified as Pauli paramagnetic or diamagnetic. Regarding the possibility of lithium mobility inside the channels, of the structure, solid state {sup 7}Li NMR and high-temperature single crystal investigations revealed localization of the lithium atoms on their crystallographic sites. - Graphical abstract: The ternary lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were prepared via multianvil high-pressure/high-temperature syntheses. They are built up from square planar Pt

  6. Substrates suitable for deposition of superconducting thin films

    DOEpatents

    Feenstra, Roeland; Boatner, Lynn A.

    1993-01-01

    A superconducting system for the lossless transmission of electrical current comprising a thin film of superconducting material Y.sub.1 Ba.sub.2 Cu.sub.3 O.sub.7-x epitaxially deposited upon a KTaO.sub.3 substrate. The KTaO.sub.3 is an improved substrate over those of the prior art since the it exhibits small lattice constant mismatch and does not chemically react with the superconducting film.

  7. Superconducting thin films on potassium tantalate substrates

    DOEpatents

    Feenstra, Roeland; Boatner, Lynn A.

    1992-01-01

    A superconductive system for the lossless transmission of electrical current comprising a thin film of superconducting material Y.sub.1 Ba.sub.2 Cu.sub.3 O.sub.7-x epitaxially deposited upon a KTaO.sub.3 substrate. The KTaO.sub.3 is an improved substrate over those of the prior art since the it exhibits small lattice constant mismatch and does not chemically react with the superconducting film.

  8. Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate.

    PubMed

    Rao, Guo-Wu; Hu, Wei-Xiao

    2003-05-01

    The title compound, C(22)H(24)N(4)O(4), was prepared from propyl chloroformate and 3,6-diphenyl-1,2-dihydro-s-tetrazine. This reaction yields the title compound rather than dipropyl 3,6-diphenyl-1,4-dihydro-s-tetrazine-1,4-dicarboxylate. The 2,3-diazabutadiene group in the central six-membered ring is not planar; the C=N double-bond length is 1.285 (2) A, and the average N-N single-bond length is 1.401 (3) A, indicating a lack of conjugation. The ring has a twist conformation, in which adjacent N atoms lie +/- 0.3268 (17) A from the plane of the ring. The molecule has twofold crystallographic symmetry.

  9. X-ray diffraction and infrared spectroscopy studies of Ba(Fe1/2Nb1/2)O3-(Na1/2Bi1/2)TiO3 ceramics

    NASA Astrophysics Data System (ADS)

    Chandra, K. P.; Yadav, Anjana; Prasad, K.

    2018-05-01

    Ceramics (1-x)Ba(Fe1/2Nb1/2)O3-x(Na1/2Bi1/2)TiO3; 0≤x≤1.0 were prepared by conventional ceramic synthesis technique. Rietveld refinements of X-ray diffraction data of these ceramics were carried out using FullProf software and determined their crystal symmetry, space group and unit cell dimensions. Rietveld refinement revealed that Ba(Fe1/2Nb1/2)O3 has cubic structure with space group Pm 3 ¯ m and Na1/2Bi1/2)TiO3 has rhombohedral structure with space group R3c. Addition of (Na1/2Bi1/2)TiO3 to Ba(Fe1/2Nb1/2)O3 resulted in the change of unit cell structure from cubic to tetragonal (P4/mmm) for x = 0.75 and the X-Ray diffraction peaks slightly shift towards higher Bragg's angle, suggesting slight decrease in unit cell volume. SEM studies were carried out in order to access the quality of the prepared ceramics which showed a change in grain shapes with the increase of (Na1/2Bi1/2)TiO3 content. FTIR spectra confirmed the formation of perovskite type solid solutions.

  10. Growth and analysis of highly oriented (11n) BCSCO films for device research

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Raina, K.K.; Pandey, R.K.

    1994-12-31

    Films of BCSCO superconductor of the type Bi{sub 2}CaSr{sub 2}Cu{sub 2}O{sub x} have been grown by liquid phase epitaxy method (LPE), using a partially closed growth chamber. The films were grown on (001) and (110) NdGaO{sub 3} substrates by slow cooling process in an optimized temperature range below the peritectic melting point (880{degrees}C) of Bi{sub 2}CaSr{sub 2}Cu{sub 2}O{sub 8}. Optimization of parameters, such as seed rotation, soak of initial growth temperature and growth period results in the formation of 2122 phase BCSCO films. The films grown at rotation rates of less than 30 and more than 70 rpm are observedmore » to be associated with the second phase of Sr-Ca-Cu-O system. Higher growth temperatures (>860{degrees}C) also encourage to the formation of this phase. XRD measurements show that the films grown on (110) NdGaO{sub 3} have a preferred (11n)-orientation. It is pertinent to mention here that in our earlier results published elsewhere we obtained c-axis oriented Bi{sub 2}CaSr{sub 2}Cu{sub 2}O{sub 8} phase films on (001) NdGaO{sub 3} substrate. Critical current density is found to be higher for the films grown on (110) than (001) NdGaO{sub 3} substrate orientation. The best values of zero resistance (T{sub co}) and critical current density obtained are 87 K and 10{sup 5} A/cm{sup 2}, respectively.« less

  11. 1,1,1,2-Tetrachloroethane

    Integrated Risk Information System (IRIS)

    1,1,1,2 - Tetrachloroethane ; CASRN 630 - 20 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Nonca

  12. Software Design Document Vehicle Simulation CSCI (5). Volume 1. Sections 1.0 - 2.2.3.1

    DTIC Science & Technology

    1991-06-01

    388 2.1.5.1.3.1 bbd -bit-in ........................ 388 2.1.5.1.4 bit_out.c............................ 389 2.1.5.1.4.1 bbd -bit-out...in.c........................ 391 2.1.5.1.7.1 bbd_control-in.................... 391 2.1.5.1.8 control__out.c ...................... 391 2.1.5.1.8.1 bbd ...2.1.5.1.10.1 bbd -detach........................ 392 2.1.5.1.11 init.c................................. 392 2.1.5.1.11.1 bbd -imit............................. 392

  13. Synthesis of ultrafine powders by microwave heating

    DOEpatents

    Meek, T.T.; Sheinberg, H.; Blake, R.D.

    1987-04-24

    A method of synthesizing ultrafine powders using microwaves is described. A water soluble material is dissolved in water and the resulting aqueous solution is exposed to microwaves until the water has dissolved. The resulting material is an ultrafine powder. This method can be used to make Al/sub 2/O/sub 3/, NiO /plus/ Al/sub 2/O/sub 3/ and NiO as well as a number of other materials including GaBa/sub 2/Cu/sub 3/O/sub x/. 1 tab.

  14. Quantitative determination of optical and recombination losses in thin-film photovoltaic devices based on external quantum efficiency analysis

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nakane, Akihiro; Tamakoshi, Masato; Fujimoto, Shohei

    2016-08-14

    In developing photovoltaic devices with high efficiencies, quantitative determination of the carrier loss is crucial. In conventional solar-cell characterization techniques, however, photocurrent reduction originating from parasitic light absorption and carrier recombination within the light absorber cannot be assessed easily. Here, we develop a general analysis scheme in which the optical and recombination losses in submicron-textured solar cells are evaluated systematically from external quantum efficiency (EQE) spectra. In this method, the optical absorption in solar cells is first deduced by imposing the anti-reflection condition in the calculation of the absorptance spectrum, and the carrier extraction from the light absorber layer ismore » then modeled by considering a carrier collection length from the absorber interface. Our analysis method is appropriate for a wide variety of photovoltaic devices, including kesterite solar cells [Cu{sub 2}ZnSnSe{sub 4}, Cu{sub 2}ZnSnS{sub 4}, and Cu{sub 2}ZnSn(S,Se){sub 4}], zincblende CdTe solar cells, and hybrid perovskite (CH{sub 3}NH{sub 3}PbI{sub 3}) solar cells, and provides excellent fitting to numerous EQE spectra reported earlier. Based on the results obtained from our EQE analyses, we discuss the effects of parasitic absorption and carrier recombination in different types of solar cells.« less

  15. Thermodynamic understanding of Sn whisker growth on the Cu surface in Cu(top)-Sn(bottom) bilayer system upon room temperature aging

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, Lin; Jian, Wei; Lin, Bing

    2015-06-07

    Sn whiskers are observed by scanning electron microscope on the Cu surface in Cu(top)-Sn(bottom) bilayer system upon room temperature aging. Only Cu{sub 6}Sn{sub 5} phase appears in the X-ray diffraction patterns and no Sn element is detected in the Cu sublayer by scanning transmission electron microscopy. Based on the interfacial thermodynamics, the intermetallic Cu{sub 6}Sn{sub 5} compound phase may form directly at the Sn grain boundary. Driven by the stress gradient during the formation of Cu{sub 6}Sn{sub 5} compound at Sn grain boundaries, Sn atoms segregate onto the Cu surface and accumulate to form Sn whisker.

  16. Thermal and galvanomagnetic properties of monocrystals CuInGa{sub 2}Te{sub 5}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Abilov, Ch. I., E-mail: cabilov@yahoo.com; Hasanova, M. Sh., E-mail: mhsh28@mail.ru; Huseynova, N. T.

    By the methods of the physic-chemical analysis, determination of density and by measurement of micro hardness the character of chemical interaction in the In{sub 2}Te{sub 3}-Cu{sub 2}Ga{sub 4}Te{sub 7} system has been investigated and its faze diagram has been plotted. It is established that the system is quasibinary, of eutectic type. In the system the chemical combination of CuGa{sub 2}InTe{sub 5} composition melting congruently at 855°C is generated. There have been revealed solid solutions boundary of which based on In{sub 2}Te{sub 3} reach 5mol% at room temperatures. Temperature dependences of electric conductivity, the coefficient of thermo-emf, general heat conductivity, themore » Hall mobility of charge carriers.The mechanisms of electron-phonon diffusion in crystals of its compound have been revealed.« less

  17. Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j').

    PubMed

    Weeks, David E; Niday, Thomas A; Yang, Sang H

    2006-10-28

    Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j') are calculated using the time dependent channel packet method (CPM). The calculation employs 1 2A', 2 2A', and 1 2A" adiabatic electronic potential energy surfaces determined by numerical computation at the multireference configuration-interaction level [M. H. Alexander, J. Chem. Phys. 99, 6041 (1993)]. The 1 2A' and 2 2A', adiabatic electronic potential energy surfaces are transformed to yield diabatic electronic potential energy surfaces that, when combined with the total B+H2 rotational kinetic energy, yield a set of effective potential energy surfaces [M. H. Alexander et al., J. Chem. Phys. 103, 7956 (1995)]. Within the framework of the CPM, the number of effective potential energy surfaces used for the scattering matrix calculation is then determined by the size of the angular momentum basis used as a representation. Twenty basis vectors are employed for these calculations, and the corresponding effective potential energy surfaces are identified in the asymptotic limit by the H2 rotor quantum numbers j=0, 2, 4, 6 and B electronic states 2Pja, ja=1/2, 3/2. Scattering matrix elements are obtained from the Fourier transform of the correlation function between channel packets evolving in time on these effective potential energy surfaces. For these calculations the H2 bond length is constrained to a constant value of req=1.402 a.u. and state to state scattering matrix elements corresponding to a total angular momentum of J=1/2 are discussed for j=0<-->j'=0,2,4 and 2P1/2<-->2P1/2, 2P3/2 over a range of total energy between 0.0 and 0.01 a.u.

  18. 40 CFR 721.9005 - 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 2-Pyrrolidinone, 1,1â²-(2-methyl-1,5... Specific Chemical Substances § 721.9005 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-. (a) Chemical...-pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis- (PMN P-93-761; CAS No. 146453-62-5) is subject to reporting...

  19. 40 CFR 721.9005 - 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 2-Pyrrolidinone, 1,1â²-(2-methyl-1,5... Specific Chemical Substances § 721.9005 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-. (a) Chemical...-pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis- (PMN P-93-761; CAS No. 146453-62-5) is subject to reporting...

  20. 40 CFR 721.9005 - 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 2-Pyrrolidinone, 1,1â²-(2-methyl-1,5... Specific Chemical Substances § 721.9005 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-. (a) Chemical...-pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis- (PMN P-93-761; CAS No. 146453-62-5) is subject to reporting...

  1. 40 CFR 721.9005 - 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 2-Pyrrolidinone, 1,1â²-(2-methyl-1,5... Specific Chemical Substances § 721.9005 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-. (a) Chemical...-pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis- (PMN P-93-761; CAS No. 146453-62-5) is subject to reporting...

  2. 40 CFR 721.9005 - 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 2-Pyrrolidinone, 1,1â²-(2-methyl-1,5... Specific Chemical Substances § 721.9005 2-Pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis-. (a) Chemical...-pyrrolidinone, 1,1′-(2-methyl-1,5-pentanediyl)bis- (PMN P-93-761; CAS No. 146453-62-5) is subject to reporting...

  3. Dechlorination of 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane by Aerobacter aerogenes

    USGS Publications Warehouse

    Wedemeyer, Gary

    1967-01-01

    Whole cells or cell-free extracts of Aerobacter aerogenes catalyze the degradation of 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT) in vitro to at least seven metabolites: 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (DDE); 1,1-dichloro-2,2-bis(p-chlorophenyl)ethane (DDD); 1-chloro-2,2-bis(p-chlorophenyl)ethylene (DDMU); 1-chloro-2,2-bis(p-chlorophenyl)ethane (DDMS); unsym-bis(p-chlorophenyl)ethylene (DDNU); 2,2-bis(p-chlorophenyl)acetate (DDA); and 4,4′-dichlorobenzophenone (DBP). The use of metabolic inhibitors together with pH and temperature studies indicated that discrete enzymes are involved. By use of the technique of sequential analysis, the metabolic pathway was shown to be: DDT → DDD →DDMU →DDMS → DDNU → DDA → DBP, or DDT → DDE. Dechlorination was marginally enhanced by light-activated flavin mononucleotide.

  4. Syntheses, structures, electrochemistry and catalytic oxidation degradation of organic dyes of two new coordination polymers derived from Cu(II) and Mn(II) and 1-(tetrazo-5-yl)-4-(triazo-1-yl)benzene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Song, Ming; Mu, Bao; Huang, Ru-Dan, E-mail: huangrd@bit.edu.cn

    Two new coordination polymers (CPs), namely, [Cu{sub 2}(ttbz)(H{sub 2}btc){sub 2}(OH)]{sub n} (1) and [Mn(ttbz){sub 2}(H{sub 2}O){sub 2}]{sub n} (2) (Httbz =1-(tetrazo-5-yl)-4-(triazo-1-yl)benzene, H{sub 3}btc =1,3,5-benzenetricarboxylic acid), have been hydrothermally synthesized and structurally characterized. Complex 1 exhibits a (3,5,5,5)-connected 2D layer with a Schläfli symbol of (3·4{sup 2})(3·4{sup 4}0.5{sup 2}0.6{sup 3})(3{sup 2}0.4{sup 4}0.5{sup 2}0.6{sup 2})(3{sup 2}0.4{sup 4}0.5{sup 3}0.6), in which the ttbz{sup -} ligand can be described as μ{sub 5}-bridge, linking Cu(II) ions into a 2D layer and H{sub 2}btc{sup -} ions play a supporting role in complex 1. The ttbz{sup -} ligand in complex 2 represents the bridging coordination mode, connectingmore » two Mn(II) ions to form the infinite 1D zigzag chains, respectively, which are further connected by two different types of hydrogen bonds to form a 3D supramolecular. Furthermore, catalytic oxidation activities toward organic dyes and electrochemical behaviors of the title complexes have been investigated at room temperature in aqueous solutions, indicating these complexes may be applicable to color removal in a textile wastewater stream and practical applications in areas of electrocatalytic reduction toward nitrite, respectively. - Graphical abstract: Two new coordination polymers based on different structural characteristics have been hydrothermally synthesized by the mixed ligands. The catalytic oxidation activities toward organic dyes and electrochemical behaviors of the title complexes have been investigated. - Highlights: • The organic ligand containing the tetrazolyl group and triazolyl group with some advantages has been used. • Two new coordination polymers with different structural characteristics has been discussed in detail. • Catalytic oxidation activities toward organic dyes and electrochemical behaviors of the title complexes have been investigated.« less

  5. Synthesis and Cytotoxic Evaluation of 1H-1,2,3-Triazol-1-ylmethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-diones.

    PubMed

    Chipoline, Ingrid C; Alves, Evelyne; Branco, Paola; Costa-Lotufo, Leticia V; Ferreira, Vitor F; Silva, Fernando C DA

    2018-01-01

    The 1,2-naphthoquinone compound was previously considered active against solid tumors. Moreover, glycosidase inhibitors such as 1,2,3-1H triazoles has been pointed out as efficient compounds in anticancer activity studies. Thus, a series of eleven 1,2-naphthoquinones tethered in C2 to 1,2,3-1H-triazoles 9a-k were designed, synthesized and their cytotoxic activity evaluated using HCT-116 (colon adenocarcinoma), MCF-7 (breast adenocarcinoma) and RPE (human nontumor cell line from retinal epithelium). The chemical synthesis was performed from C-3 allylation of lawsone followed by iodocyclization with subsequent nucleophilic displacement with sodium azide and, finally, the 1,3-dipolar cycloaddition catalyzed by Cu(I) with terminal alkynes led to the formation of 1H-1,2,3-Triazol-1-ylmethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-diones in good yields. Compounds containing aromatic group linked to 1,2,3-triazole ring (9c, 9d, 9e, 9i) presented superior cytotoxic activity against cancer cell lines with IC50 in the range of 0.74 to 4.4 µM indicating that the presence of aromatic rings substituents in the 1,2,3-1H-triazole moiety is probably responsible for the improved cytotoxic activity.

  6. Dopant concentration dependent growth of Fe:ZnO nanostructures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sahai, Anshuman; Goswami, Navendu, E-mail: navendugoswami@gmail.com

    2016-05-23

    Systematic investigations of structural properties of 1-10% Fe doped ZnO nanostructure (Fe:ZnO NS) prepared via chemical precipitation method have been reported. Structural properties were probed thoroughly employing scanning electron microscope (SEM) and transmission electron microscope (TEM), energy dispersive X-ray (EDAX) analysis and X-ray diffraction (XRD). Morphological transformation of nanostructures (NS) with Fe incorporation is evident in SEM/TEM images. Nanoparticles (NP) obtained with 1% Fe, evolve to nanorods (NR) for 3% Fe; NR transform to nanocones (NC) (for 5% and 7% Fe) and finally NC transform to nanoflakes (NF) at 10% Fe. Morover, primary phase of Zn{sub 1-x}Fe{sub x}O along withmore » secondary phases of ZnFe{sub 2}O{sub 4} and Fe{sub 2}O{sub 3} were also revealed through XRD measurements. Based on collective XRD, SEM, TEM, and EDAX interpretations, a model for morphological evolution of NS was proposed and the pivotal role of Fe dopant was deciphered.« less

  7. Method for forming silver-copper mixed kesterite semiconductor film

    DOEpatents

    Gershon, Talia S.; Gunawan, Oki; Lee, Yun S.; Mankad, Ravin

    2018-01-23

    After forming a layer of a Cu-deficient kesterite compound having the formula Cu.sub.2-xZn.sub.1+xSn(S.sub.ySe.sub.1-y).sub.4, wherein 01, and 0.ltoreq.y.ltoreq.1, on a substrate and forming a Ag layer on the Cu-deficient kesterite compound layer, the Cu-deficient kesterite compound layer and Ag layer are annealed in a S- and/or Se-rich ambient to provide a film containing a Ag--Cu mixed kesterite compound having the formula Ag.sub.xCu.sub.2-xZnSn(S.sub.ySe.sub.1-y).sub.4, wherein 02, and 0.ltoreq.y.ltoreq.1.

  8. Theoretical study of the photo-isomerisation reactions of 1,2-dihydro-1,2-phosphaborine and 1,2-dihydro-1,2-alumazaine

    NASA Astrophysics Data System (ADS)

    Su, Ming-Der

    2015-07-01

    The mechanisms of the photochemical isomerisation reactions are investigated theoretically using the model systems, 1,2-dihydro-1,2-phosphaborine (5) and 1,2-dihydro-1,2-alumazaine (6), using the CAS(6,6)/6-311G(d,p) and MP2-CAS-(6,6)/6-311++G(3df,3pd)//CAS(6,6)/6-311G(d,p) methods. For each model reactant, three reaction pathways, which lead to three kinds of photo-isomers, are examined. The structures of the conical intersections, which play a key role in such photo-rearrangements, are determined. The thermal (or dark) reactions of the reactant species are also examined, using the same level of theory, to provide a qualitative explanation of the reaction pathways. These model investigations demonstrate that the preferred reaction route for these two aromatic heterocyclics is as follows: reactant → Franck-Condon region → conical intersection → photoproduct. The theoretical evidences anticipate that after irradiation of 5, the photoproduct yield of the Dewar BP-isomer, 8, should be larger than that of the Dewar BP-isomer, 7, whereas no Dewar BP-isomer 9 can be observed. Moreover, the present theoretical data predict after irradiation of 6, all three Dewar AlN-isomers (10, 11, and 12) and the starting molecule, 6, are produced.

  9. Interferometric measurement of the 1S/sub 1/2/-2S/sub 1/2/ transition frequency in atomic hydrogen

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Barr, J.R.M.; Girkin, J.M.; Tolchard, J.M.

    The 1S/sub 1/2/-2S/sub 1/2/ transition frequency in atomic hydrogen has been interferometrically measured by comparison with a reference line in /sup 130/Te/sub 2/ by Doppler-free two-photon laser spectroscopy. The measured 1S/sub 1/2/-2S/sub 1/2/ transition frequency of 2 466 061 397(25) MHz is in good agreement with the theoretical predictions of Erickson modified to take account of recent measurements of the Rydberg constant. This measurement can be used to deduce a value for the ground-state Lamb shift and gives the result of 8182(25) MHz which compares with a value of 8173.248(81) MHz predicted by Erickson.

  10. Health Assessment Document for 1,1,2-Trichloro-1,2,2-Trifluoroethane (Chlorofluorocarbon CFC-113)(Revised External Review Draft)

    EPA Science Inventory

    Chlorofluorocarbon 113 (1,1,2-trichloro-1,2,2-trifluoroethane) has little potential to cause direct adverse health effects at levels found or expected in the general environment (<4.2 ppb). Experimental data do not indicate adverse health effects in humans at a TLV of 1,000 ppm. ...

  11. Collisional relaxation of O2(a1Δ, υ = 1, 2, 3) by CO2

    NASA Astrophysics Data System (ADS)

    Torbin, A. P.; Pershin, A. A.; Mebel, A. M.; Zagidullin, M. V.; Heaven, M. C.; Azyazov, V. N.

    2018-01-01

    Rate coefficients for the vibrational relaxation of O2(a1Δ, υ) by CO2 have been determined from the decay of fluorescence of the a1Δg → X3 Σg- (υ-υ‧) transitions with υ = υ‧ = 1, 2 and 3. O2(a1Δ, υ) molecules were produced by pulsed laser photolysis of ozone at a wavelength of 266 nm. The rate coefficients were measured to be (1.9 ± 0.2) × 10-14 cm3/s, (2.4 ± 0.2) × 10-14 cm3/s and (2.7 ± 0.3) × 10-14 cm3/s for υ = 1, 2 and 3 respectively.

  12. Diastereoisomers of 2-benzyl-2, 3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol: potential anti-inflammatory agents.

    PubMed

    Sheridan, Helen; Walsh, John J; Cogan, Carina; Jordan, Michael; McCabe, Tom; Passante, Egle; Frankish, Neil H

    2009-10-15

    The synthesis and biological activity of the novel diastereoisomers of 2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol is reported. The 2,2-coupled indane dimers were synthesised by coupling of the silyl enol ether of 1-indanone with the dimethyl ketal of 2-indanone. The coupled product was directly alkylated to give the racemic ketone which was reduced to the diastereoisomeric alcohols. The alcohols were separated and their relative stereochemistry was established by X-ray crystallography. These molecules demonstrate significant anti-inflammatory activity in vivo and in vitro and may represent a new class of anti-inflammatory agent.

  13. Interplay between intramolecular and intermolecular structures of 1,1,2,2-tetrachloro-1,2-difluoroethane

    NASA Astrophysics Data System (ADS)

    Rovira-Esteva, M.; Murugan, N. A.; Pardo, L. C.; Busch, S.; Tamarit, J. Ll.; Pothoczki, Sz.; Cuello, G. J.; Bermejo, F. J.

    2011-08-01

    We report on the interplay between the short-range order of molecules in the liquid phase of 1,1,2,2-tetrachloro-1,2-difluoroethane and the possible molecular conformations, trans and gauche. Two complementary approaches have been used to get a comprehensive picture: analysis of neutron-diffraction data by a Bayesian fit algorithm and a molecular dynamics simulation. The results of both show that the population of trans and gauche conformers in the liquid state can only correspond to the gauche conformer being more stable than the trans conformer. Distinct conformer geometries induce distinct molecular short-range orders around them, suggesting that a deep intra- and intermolecular interaction coupling is energetically favoring one of the conformers by reducing the total molecular free energy.

  14. Structural, conformational and vibrational properties of 1,1,1-Trifluoro-N-(1,1,2,2,2-pentafluoroethyl) methanesulfinimidoyl chloride, CF₃CF₂-N=S(Cl)CF₃.

    PubMed

    Robles, Norma L; Chemes, Doly M; Oberhammer, Heinz; Cutin, Edgardo H

    2015-06-15

    The structural, conformational, and configurational properties of 1,1,1-Trifluoro-N-(1,1,2,2,2-pentafluoroethyl) methanesulfinimidoyl chloride, CF3CF2NS(Cl)CF3 have been studied by vibrational spectroscopy [IR (vapor) and Raman (liquid)] and quantum chemical calculations [B3LYP, MP2 and B3PW91 levels of theory using the 6-311+G(d), 6-311+G(df) and 6-311+G(2df) basis sets]. According to these theoretical approximations, CF₃CF₂-N=S(Cl)CF₃ exists in the gas phase as a mixture of a favored anticlinal form (CN bond anticlinal with respect to the CSCl bisector) with C1 symmetry and a less abundant syn conformer showing C1 symmetry as well (ΔG° ≈ 1.20 kcal mol(-1)). Due to the small contribution only a few corresponding vibrational modes of the syn conformer could be assigned confidently in the experimental spectra. Compared to CF₃CF₂-N=S(F)CF₃, the replacement of F by Cl produces a clear change in NS bond length and the corresponding stretching frequency, without affecting the conformational properties. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Affine Kac-Moody symmetric spaces related with A1^{(1)}, A2^{(1)},} A2^{(2)}

    NASA Astrophysics Data System (ADS)

    Nayak, Saudamini; Pati, K. C.

    2014-08-01

    Symmetric spaces associated with Lie algebras and Lie groups which are Riemannian manifolds have recently got a lot of attention in various branches of Physics for their role in classical/quantum integrable systems, transport phenomena, etc. Their infinite dimensional counter parts have recently been discovered which are affine Kac-Moody symmetric spaces. In this paper we have (algebraically) explicitly computed the affine Kac-Moody symmetric spaces associated with affine Kac-Moody algebras A1^{(1)}, A2^{(1)}, A2^{(2)}. We hope these types of spaces will play similar roles as that of symmetric spaces in many physical systems.

  16. 26 CFR 1.453-1-1.453-2 - [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 6 2010-04-01 2010-04-01 false [Reserved] 1.453-1-1.453-2 Section 1.453-1-1.453-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES Taxable Year for Which Items of Gross Income Included §§ 1.453-11.453-2 [Reserved] ...

  17. 26 CFR 1.453-1-1.453-2 - [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 6 2011-04-01 2011-04-01 false [Reserved] 1.453-1-1.453-2 Section 1.453-1-1.453-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES (CONTINUED) Taxable Year for Which Items of Gross Income Included §§ 1.453-11.453-2...

  18. 26 CFR 1.453-1-1.453-2 - [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 26 Internal Revenue 6 2014-04-01 2014-04-01 false [Reserved] 1.453-1-1.453-2 Section 1.453-1-1.453-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES (CONTINUED) Taxable Year for Which Items of Gross Income Included §§ 1.453-11.453-2...

  19. 26 CFR 1.453-1-1.453-2 - [Reserved

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 26 Internal Revenue 6 2013-04-01 2013-04-01 false [Reserved] 1.453-1-1.453-2 Section 1.453-1-1.453-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES (CONTINUED) Taxable Year for Which Items of Gross Income Included §§ 1.453-11.453-2...

  20. 26 CFR 1.453-1-1.453-2 - [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 26 Internal Revenue 6 2012-04-01 2012-04-01 false [Reserved] 1.453-1-1.453-2 Section 1.453-1-1.453-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES (CONTINUED) Taxable Year for Which Items of Gross Income Included §§ 1.453-11.453-2...

  1. Two new Cu{sup I} compounds with zwitterionic tetrazolate ligand: In situ synthesis, crystal structures, luminescence and photocatalytic properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Jian-Yong; Xing, Yuan-Yuan; Wang, Qing-Wei

    2015-12-15

    Two 2D new Cu(I) coordination polymers, namely [Cu{sub 2}(mpTZ){sub 2}Br{sub 2}]·H{sub 2}O (1), and [Cu{sub 2}(mpTZ){sub 2}N{sub 3}]ClO{sub 4} (2) (mpTZ=N-methyl-4-pyridinium tetrazolate) have been synthesized under solvothermal conditions, in which the mpTZ ligands and Cu{sup I} ions were obtained through in situ [2+3] cycloaddition reaction and reduction reaction of Cu{sup II} salts, respectively. Both compounds have been structural characterized by single crystal X-ray diffraction, FT-IR, PXRD and EA. Compound 1 exhibits a 2D neutral coordination network, in which the Cu{sup I} ions are bridged by η{sub 3}−1, 2, 4-tetrazolate into 2D sheet. In compound 2, the Cu{sup I} ions aremore » linked by azide (in µ{sub 3}−1, 1, 3 bridging mode) and tetrazolate (in η{sub 3}−1, 2, 3 bridging mode) anions into 2D positively charged sheet, extended along the bc plane. Both compounds 1 and 2 exhibit intense bluish green luminescence in the solid state. Photocatalytic performances of the two compounds for the degradation of methylene blue (MB) under visible light were also investigated and the MB degradation in the presence of 1 was nearly complete (99%) after 150 min. - Graphical abstract: Two Cu{sup I}CPs have been solvothermally synthesized through the in situ [2+3] cycloaddition and metal reduction reaction. Both compounds exhibit intense luminescence and high photocatalytic degradation under visible light. - Highlights: • Two new Cu{sup I}-based CPs are solvothermally synthesized through in situ [2+3] cycloaddition reaction and metal reduction reaction. • Both compounds exhibit strong luminescence and photocatalytic degradation of methylene blue (MB) under visible light. • The MB degradation in the presence of 1 is nearly complete (99%) after 150 min.« less

  2. Effect of processing parameters on the formation of C{sub f}/LAS composites/Ag−Cu−Ti/TC4 brazed joint

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Duo; Niu, Hongwei

    C{sub f}/LAS composites were successfully jointed to TC4 alloy with Ag−Cu−Ti filler by vacuum brazing. The interfacial microstructure of TC4/C{sub f}/LAS composites joints was characterized by employing scanning electron microscope (SEM), energy dispersive spectrometer (EDS), X-diffraction (XRD) and transmission electron microscopy (TEM). The determination of the thin interfacial reaction layer (TiSi{sub 2} + TiC layer) was realized by TEM. The effect of holding time on the interfacial microstructure and shear strength were investigated. With the increasing holding time, the thickness of diffusion layer, Ti{sub 3}Cu{sub 4} layer, and TiSi{sub 2} + TiC layer increased obviously, on the contrary, that ofmore » Ti−Cu intermetallic compound layers decreased gradually. Besides, blocky Ti{sub 3}Cu{sub 4} phase was coarsened when the joint was brazed at 890 °C for 20 min, which deteriorated the mechanical properties of the joint dramatically. The interfacial evolution of TC4/C{sub f}/LAS composites joint and the formation of TiSi{sub 2}, TiC, Ti{sub 3}Cu{sub 4}, TiCu and Ti{sub 2}Cu phases were expounded. The maximum shear strength of 26.4 MPa was obtained when brazed at 890 °C for 10 min. - Highlights: •The thin interface reaction layer was determined to be TiSi{sub 2} + TiC layer by TEM. •Holding time had influence on the interfacial microstructure and joint properties. •Microstructural evolution mechanism and reactions of brazed joints were expounded.« less

  3. Dynamic relocation of the TORC1–Gtr1/2–Ego1/2/3 complex is regulated by Gtr1 and Gtr2

    PubMed Central

    Kira, Shintaro; Kumano, Yuri; Ukai, Hirofumi; Takeda, Eigo; Matsuura, Akira; Noda, Takeshi

    2016-01-01

    TORC1 regulates cellular growth, metabolism, and autophagy by integrating various signals, including nutrient availability, through the small GTPases RagA/B/C/D in mammals and Gtr1/2 in budding yeast. Rag/Gtr is anchored to the lysosomal/vacuolar membrane by the scaffold protein complex Ragulator/Ego. Here we show that Ego consists of Ego1 and Ego3, and novel subunit Ego2. The ∆ego2 mutant exhibited only partial defects both in Gtr1-dependent TORC1 activation and Gtr1 localization on the vacuole. Ego1/2/3, Gtr1/2, and Tor1/Tco89 were colocalized on the vacuole and associated puncta. When Gtr1 was in its GTP-bound form and TORC1 was active, these proteins were preferentially localized on the vacuolar membrane, whereas when Gtr1 was in its GDP-bound form, they were mostly localized on the puncta. The localization of TORC1 to puncta was further facilitated by direct binding to Gtr2, which is involved in suppression of TORC1 activity. Thus regulation of TORC1 activity through Gtr1/Gtr2 is tightly coupled to the dynamic relocation of these proteins. PMID:26609069

  4. The Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram refinement, Bi{sub 3}FeSb{sub 2}O{sub 11} structure peculiarities and magnetic properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Egorysheva, A.V., E-mail: anna_egorysheva@rambler.ru; Ellert, O.G.; Gajtko, O.M.

    2015-05-15

    The refinement of the Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram has been performed and the existence of the two ternary compounds has been confirmed. The first one with a pyrochlore-type structure (sp. gr. Fd 3-barm) exists in the wide solid solution region, (Bi{sub 2−x}Fe{sub x})Fe{sub 1+y}Sb{sub 1−y}O{sub 7±δ}, where x=0.1–0.4 and y=−0.13–0.11. The second one, Bi{sub 3}FeSb{sub 2}O{sub 11}, corresponds to the cubic KSbO{sub 3}-type structure (sp. gr. Pn 3-bar) with unit cell parameter a=9.51521(2) Å. The Rietveld structure refinement showed that this compound is characterized by disordered structure. The Bi{sub 3}FeSb{sub 2}O{sub 11} factor groupmore » analysis has been carried out and a Raman spectrum has been investigated. According to magnetization measurements performed at the temperature range 2–300 K it may be concluded that the Bi{sub 3}FeSb{sub 2}O{sub 11} magnetic properties can be substantially described as a superposition of strong short-range antiferromagnetic exchange interactions realizing inside the [(FeSb{sub 2})O{sub 9}] 3D-framework via different pathways. - Graphical abstract: The refinement of the Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram has been performed and the existence of the solid solution with a pyrochlore-type structure (sp. gr. Fd 3-barm) and Bi{sub 3}FeSb{sub 2}O{sub 11}, correspond of the cubic KSbO{sub 3}-type structure (sp. gr. Pn 3-bar has been confirmed. The structure refinement, Raman spectroscopy as well as magnetic measurements data of Bi{sub 3}FeSb{sub 2}O{sub 11} are presented. - Highlights: • The Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram refinement has been performed. • The Bi{sub 3}FeSb{sub 2}O{sub 11} existence along with pyrochlore structure compound is shown. • It was determined that the Bi{sub 3}FeSb{sub 2}O{sub 11} is of disordered cubic KSbO{sub 3}-type structure. • Factor group

  5. Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert

    Three novel tetranuclear copper(II) complexes namely [Cu{sub 4}(L{sup 1}){sub 4}]∙2(dmf) (1), [Cu{sub 4}(L{sup 1}){sub 4}] (2) and [Cu{sub 4}(L{sup 2}){sub 2}(HL{sup 2}){sub 2}(H{sub 2}O){sub 2}]∙2(ClO{sub 4})·6(H{sub 2}O) (3) (H{sub 2}L{sup 1}, (E)−2-((1-hydroxybutan-2-ylimino)methyl)phenol; H{sub 2}L{sup 2}, (E)−2-((1-hydroxybutan-2-ylimino)methyl)−6-methoxyphenol)) were synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligands. The structural determination reveals that crystallizes in the monoclinic system with space group C2/c, whereas both the and crystallize in the triclinic system with space group P-1. and possess face-sharing dicubane core, on the other hand complex 3 has double open cubane core structure. The copper(II) ions in the cubanemore » core are in distorted square planar geometries, and weak π…π and C–H…π interactions lead to formation of a 2D supramolecular architecture for and . At room temperature and , exhibit fluorescence with a quantum yield (Φ{sub s}) of 0.47, 0.49 and 0.38, respectively. Variable temperature magnetic susceptibility measurements in the range 2–300 K indicate an overall weak antiferromagnetic exchange coupling in all complexes. The PHI program was used to study their magnetic behaviour. In agreement with their face-sharing dicubane structure, a Hamiltonian of the type H =– J{sub 1}(S{sub 1}S{sub 2}+S{sub 1}S{sub 2’}+S{sub 1'}S{sub 2}+S{sub 1'}S{sub 2’}) – J{sub 2}S{sub 1}S{sub 1’}, where S{sub 1} = S{sub 1’} = S{sub 2} = S{sub 2’} = S{sub Cu} =1/2, was used for studying and . Simulations performed suggest magnetic exchange constants with values close to J{sub 1} =−20 cm{sup −1} and J{sub 2} =0 cm{sup -1} for these complexes. On the other hand, the spin Hamiltonian H =– J{sub 1}(S{sub 1}S{sub 4}+S{sub 2}S{sub 3}) – J{sub 2}(S{sub 1}S{sub 3}+S{sub 2}S{sub 4}) – J{sub 3}S{sub 1}S{sub 2}, where S{sub 1} = S{sub 2} = S{sub 3} = S{sub 4} = S

  6. 1,1,2-Trichloropropane

    Integrated Risk Information System (IRIS)

    1,1,2 - Trichloropropane ; CASRN 598 - 77 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarci

  7. 1,1,2-Trichloroethane

    Integrated Risk Information System (IRIS)

    1,1,2 - Trichloroethane ; CASRN 79 - 00 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcino

  8. Optical and electrical properties of Cu-based all oxide semi-transparent photodetector

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Hong-Sik; Patel, Malkeshkumar; Yadav, Pankaj

    2016-09-05

    Zero-bias operating Cu oxide-based photodetector was achieved by using large-scale available sputtering method. Cu oxide (Cu{sub 2}O or CuO) was used as p-type transparent layer to form a heterojunction by contacting n-type ZnO layer. All metal-oxide materials were employed to realize transparent device at room temperature and showed a high transparency (>75% at 600 nm) with excellent photoresponses. The structural, morphological, optical, and electrical properties of Cu oxides of CuO and Cu{sub 2}O are evaluated in depth by UV-visible spectrometer, X-ray diffraction, scanning electron microscopy, atomic force microscopy, Kelvin probe force microscopy, and Hall measurements. We may suggest a route ofmore » high-functional Cu oxide-based photoelectric devices for the applications in flexible and transparent electronics.« less

  9. Crystal structure and magnetic properties of high-oxygen pressure annealed Sr{sub 1-x}La{sub x}Co{sub 0.5}Fe{sub 0.5}O{sub 3-{delta}} (0{<=}x{<=}0.5)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Swierczek, Konrad; Materials Science Division, Argonne National Laboratory, Argonne, IL 60439; Dabrowski, Bogdan

    2009-02-15

    Structural and magnetic studies are presented for the perovskite type Sr{sub 1-x}La{sub x}Co{sub 0.5}Fe{sub 0.5}O{sub 3-{delta}} (0{<=}x{<=}0.5) materials annealed under moderately high-oxygen pressures of {approx}200 atm. A detailed analysis of the room temperature neutron time-of-flight diffraction data reveals that the crystal structure of the sample SrCo{sub 0.5}Fe{sub 0.5}O{sub 2.89(1)}, previously described as vacancy-disordered cubic, is similar to the formerly reported, oxygen-vacancy ordered Sr{sub 8}Fe{sub 8}O{sub 23} compound, i.e. Sr{sub 8}Co{sub 4}Fe{sub 4}O{sub 23} is tetragonal with the I4/mmm symmetry. With an increase of the La content the studied materials become nearly oxygen stoichiometric and a lowering of the crystal symmetrymore » is observed from cubic Pm3-barm (x=0.1 and 0.2) to tetragonal I4/mcm (x=0.3 and 0.4), and finally to monoclinic I12/c1 (x=0.5). Low-temperature structural and magnetic measurements show a ferromagnetic ordering with the maximum Curie temperature near 290 K at x=0.2. - Graphical Abstract: Room temperature Rietveld refinement profile using I4/mmm space group for the oxygen vacancy ordered SrCo{sub 0.5}Fe{sub 0.5}O{sub 2.89} (Sr{sub 8}Co{sub 4}Fe{sub 4}O{sub 23}). Top tick-marks denote allowed reflections in I4/mmm, bottom one emphasize the possibility of inexact indexing using Pm3-barm symmetry. Previous reports indicate that similar ordering is common for SrCo{sub 1-x}Fe{sub x}O{sub 3-{delta}} compounds possibly hindering their applications.« less

  10. Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xu, Qing-Qing; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002; Liu, Bing

    Ionothermal reactions of 1,3,5-benzenetricarboxylate acid (H{sub 3}BTC) and Ni(NO{sub 3}){sub 2}, Co(NO{sub 3}){sub 2} and Cu(NO{sub 3}){sub 2} gave two discrete 32-membered ring-like allomers, [M{sub 2}(HBTC){sub 2}(NH{sub 2}CONH{sub 2}){sub 2}(H{sub 2}O){sub 4}]·3H{sub 2}O (M=Ni(1), Co(2)) and one layered [Cu{sub 2}(BTC)Cl(H{sub 2}O){sub 4}] (3). The weak interactions in 1 can be deconstructed to some degree in ion exchange by exploring the factors of divalent and trivalent metal species, metal concentration and soaking time, which are demonstrated by PXRD and N{sub 2} absorption. Cu{sup 2+} has the highest N{sub 2} adsorbance when soaking with 1, and 1 can keep structure stable whenmore » Cu{sup 2+} below 0.16 mol L{sup −1} and the soaking time within 24d. As Cu{sup 2+} beyond 0.16 mol L{sup −1} and the soaking time beyond 24d, the structure of compound 1 starts to transform with the crystal morphology from clear pale green to opaque blue. Ionothermal reactions of compound 1 with different Cu{sup 2+} amounts obtained Ni{sup 2+}-Cu{sup 2+} hetero complexes, whose PXRD patterns are similar to that of 3 and EDS indicates Cu{sup 2+}% increases with Cu{sup 2+} additions and close to 100% as Cu{sup 2+} being 1.6 mmol. It suggests that 3 is a controlled product and Cu{sup 2+} can transform discrete compound 1 into 2D compound 3. - Graphical abstract: Three compounds were synthesized through ionothermal reactions. The weak interactions in compound 1 can be deconstructed by ion exchange and discrete compound 1 can be transformed into layered compound 3. - Highlights: • Two discrete ring-like and one layered compounds were ionothermally synthesized. • Metal species, metal concentration and soaking time deconstruct the H-bondings in 1. • 1 can be transformed to 3 through ionothermal reaction, otherwise forbidden.« less

  11. Structural and magnetic properties of chromium doped zinc ferrite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sebastian, Rintu Mary; Thankachan, Smitha; Xavier, Sheena

    2014-01-28

    Zinc chromium ferrites with chemical formula ZnCr{sub x}Fe{sub 2−x}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) were prepared by Sol - Gel technique. The structural as well as magnetic properties of the synthesized samples have been studied and reported here. The structural characterizations of the samples were analyzed by using X – Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscope (SEM), and Transmission Electron Microscope (TEM). The single phase spinel cubic structure of all the prepared samples was tested by XRD and FTIR. The particle size was observed to decrease from 18.636 nm to 6.125more » nm by chromium doping and induced a tensile strain in all the zinc chromium mixed ferrites. The magnetic properties of few samples (x = 0.0, 0.4, 1.0) were investigated using Vibrating Sample Magnetometer (VSM)« less

  12. Structural, dielectric and magnetic properties of nickel substituted cobalt ferrite nanoparticles: Effect of nickel concentration

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Velhal, Ninad B.; Patil, Narayan D.; Puri, Vijaya R., E-mail: vijayapuri1@gmail.com

    2015-09-15

    Nickel substituted cobalt ferrite nanoparticles with composition Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 1.0) was synthesized using simple, low temperature auto combustion method. The X-ray diffraction patterns reveal the formation of cubic phase spinel structure. The crystallite size varies from 30-44 nm with the nickel content. Porous and agglomerated morphology of the bulk sample was displayed in the scanning electron microscopy. Micro Raman spectroscopy reveals continuous shift of E{sub g} and E{sub g}(2) stokes line up to 0.8 Ni substitution. The dispersion behavior of the dielectric constant with frequency and the semicircle nature of the impedance spectramore » show the cobalt nickel ferrite to have high resistance. The ferromagnetic nature is observed in all the samples, however, the maximum saturation magnetization was achieved by the 0.4 Ni substituted cobalt ferrite, which is up to the 92.87 emu/gm at 30K.« less

  13. Metabolism of 1,2,3,4-, 1,2,3,5-, and 1,2,4,5-tetrachlorobenzene in the squirrel monkey

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schwartz, H.; Chu, I.; Villeneuve, D.C.

    1987-01-01

    The metabolism of three tetrachlorobenzene isomers (TeCB) was investigated in the squirrel monkey. The animals were administered orally 6 single doses of /sup 14/C-labeled 1,2,3,4-, 1,2,4,5-, or 1,2,3,5-tetrachlorobenzene over a 3-wk period at levels ranging from 50 to 100 mg/kg body weight (b.w) and kept in individual metabolism cages to collect urine and feces for radioassay. Approximately 38% (1,2,3,4-TeCB), 36% (1,2,3,5-TeCB), and 18% (1,2,4,5-TeCB) of the doses were excreted respectively in the feces 48 h post administration. In monkeys dosed with 1,2,3,4-TeCB, unchanged compound accounted for 50% of the fecal radioactivity. Unchanged compound accounted for more than 50% of themore » fecal radioactivity found in the monkeys dosed with 1,2,3,5-TeCB. The fecal metabolites were identified in both groups. No metabolites were detected in the feces of monkeys dosed with 1,2,4,5-TeCB. While the fecal route represented the major route of excretion for 1,2,3,4-TeCB, the other two isomers were eliminated exclusively in the feces. The above data in the squirrel monkey are different from those obtained with the rat and the rabbit, and demonstrate the different metabolic pathways for the isomers.« less

  14. Infrared Spectra of the 10-μm Bands of 1,2-Difluoroethane and 1,1,2-Trifluoroethane: Vibrationally Mediated Torsional Tunneling in 1,1,2-Trifluoroethane

    NASA Astrophysics Data System (ADS)

    Stone, Stephen C.; Miller, C. Cameron; Philips, Laura A.; Andrews, A. M.; Fraser, G. T.; Pate, B. H.; Xu, Li-Hong

    1995-12-01

    The 3-MHz-resolution infrared spectra of the 10-μm bands of thegaucheconformer of 1,2-difluoroethane (HFC152) and theC1-symmetry conformer of 1,1,2-trifluoroethane (HFC143) have been measured using a molecular-beam electric-resonance optothermal spectrometer with a tunable microwave-sideband CO2laser source. For 1,2-difluoroethane, two bands have been studied, the ν17B-symmetry C-F stretch at 1077.3 cm-1and the ν13B-symmetry CH2rock at 896.6 cm-1. Both bands are well fit to a asymmetric-rotor Hamiltonian to better than 0.5 MHz. The ν13band is effectively unperturbed, while the ν17band is weakly perturbed, as shown by the large change in centrifugal distortion constants from the ground state values. Two bands have also been studied for 1,1,2-trifluoroethane, the ν11symmetric CF2stretch at 1077.2 cm-1and the ν13C-C stretch at 905.1 cm-1. One of the two bands, ν11, is unperturbed and fit to near the experimental precision. The ν13vibration, on the other hand, is weakly perturbed by an interaction with a nearby state. This perturbation leads to a doubling or splitting of the lines, due to a perturbation-induced lifting of the degeneracy of the symmetric and antisymmetric tunneling states associated with tunneling between the two equivalentC1forms. For theJ,Kastates studied, the splittings are as large as 37 MHz. Combining this observation with published low-resolution far-infrared measurements of torsional sequence-band and hot-band frequencies and calculations from an empirical torsional potential allows us to identify the perturbing state as ν17+ 6ν18. Here, ν17is the CF2twist and ν18is the torsion. The matrix element responsible for this interaction exchanges eight vibrational quanta!

  15. 1. Credit WCT. Original 2 1/4" x 2 1/4" color ...

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

    1. Credit WCT. Original 2- 1/4" x 2- 1/4" color negative is housed in the JPL Photography Laboratory, Pasadena, California. Photo shows John Morrow in charge of milling operations on coupons ("dogbones") of propellant on an Index milling machine. Coupons were milled to precise dimensions for tensile tests. Note that two sprinkler heads have been placed in very close proximity to the milling table for fire suppression purposes (JPL negative no. JPL-10283AC, 27 January 1989) - Jet Propulsion Laboratory Edwards Facility, Preparation Building, Edwards Air Force Base, Boron, Kern County, CA

  16. Long-range ordering in the Bi 1-xAe xFeO 3-x/2 perovskites: Bi 1/3Sr 2/3FeO 2.67 and Bi 1/2Ca 1/2FeO 2.75

    NASA Astrophysics Data System (ADS)

    Lepoittevin, C.; Malo, S.; Barrier, N.; Nguyen, N.; Van Tendeloo, G.; Hervieu, M.

    2008-10-01

    Two-ordered perovskites, Bi 1/3Sr 2/3FeO 2.67 and Bi 1/2Ca 1/2FeO 2.75, have been stabilized and characterized by transmission electron microscopy, Mössbauer spectroscopy and X-ray powder diffraction techniques. They both exhibit orthorhombic superstructures, one with a≈ b≈2 ap and c≈3 ap (S.G.: Pb2 n or Pbmn) for the Sr-based compound and one with a≈ b≈2 ap and c≈8 ap (S.G.: B222, Bmm2, B2 mm or Bmmm) for the Ca-based one. The high-resolution transmission electron microscopy (HRTEM) images evidence the existence of one deficient [FeO x] ∞ layer, suggesting that Bi 1/3Sr 2/3FeO 2.67 and Bi 1/2Ca 1/2FeO 2.75 behave differently compared to their Ln-based homolog. The HAADF-STEM images allow to propose a model of cation ordering on the A sites of the perovskite. The Mössbauer analyses confirm the trivalent state of iron and its complex environment with three types of coordination. Both compounds exhibit a high value of resistivity and the inverse molar susceptibility versus temperature curves evidence a magnetic transition at about 730 K for the Bi 1/3Sr 2/3FeO 2.67 and a smooth reversible transition between 590 and 650 K for Bi 1/2Ca 1/2FeO 2.75.

  17. SGT1 is required in PcINF1/SRC2-1 induced pepper defense response by interacting with SRC2-1

    PubMed Central

    Liu, Zhi-qin; Liu, Yan-yan; Shi, Lan-ping; Yang, Sheng; Shen, Lei; Yu, Huan-xin; Wang, Rong-zhang; Wen, Jia-yu; Tang, Qian; Hussain, Ansar; Khan, Muhammad Ifnan; Hu, Jiong; Liu, Cai-ling; Zhang, Yang-wen; Cheng, Wei; He, Shui-lin

    2016-01-01

    PcINF1 was previously found to induce pepper defense response by interacting with SRC2-1, but the underlying mechanism remains uninvestigated. Herein, we describe the involvement of SGT1 in the PcINF1/SRC2-1-induced immunity. SGT1 was observed to be up-regulated by Phytophthora capsici inoculation and synergistically transient overexpression of PcINF1/SRC2-1 in pepper plants. SGT1-silencing compromised HR cell death, blocked H2O2 accumulation, and downregulated HR-associated and hormones-dependent marker genes’ expression triggered by PcINF1/SRC2-1 co-overexpression. The interaction between SRC2-1 and SGT1 was found by the yeast two hybrid system and was further confirmed by bimolecular fluorescence complementation and co-immunoprecipitation analyses. The SGT1/SRC2-1 interaction was enhanced by transient overexpression of PcINF1 and Phytophthora capsici inoculation, and SGT1-silencing attenuated PcINF1/SRC2-1 interaction. Additionally, by modulating subcellular localizations of SRC2-1, SGT1, and the interacting complex of SGT1/SRC2-1, it was revealed that exclusive nuclear targeting of the SGT1/SRC2-1 complex blocks immunity triggered by formation of SGT1/SRC2-1, and a translocation of the SGT1/SRC2-1 complex from the plasma membrane and cytoplasm to the nuclei upon the inoculation of P. capsici. Our data demonstrate that the SGT1/SRC2-1 interaction, and its nucleocytoplasmic partitioning, is involved in pepper’s immunity against P. capsici, thus providing a molecular link between Ca2+ signaling associated SRC2-1 and SGT1-mediated defense signaling. PMID:26898479

  18. Excitation of O 2(a 1Δ g, b 1Σ g+) and I( 2P 1/2) by energy transfer from I 2(A, A' 3Π 1,2u) in solid rare gases

    NASA Astrophysics Data System (ADS)

    Böhling, R.; Becker, A. C.; Minaev, B. F.; Seranski, K.; Schurath, U.

    1990-04-01

    O 2a 1Δ g, b 1Σ g+ → X 3Σ g- and I 2P 1/22P 3/4 fluorescence occurs in I 2/O 2-doped rare gas matrices when I 2 is excited with visible laser light. O 2(a 1Δ g) and I( 2P 1/2) are populated independently by near-resonant energy transfer from the metastable triplet states of I 2. The doublet splitting of the O 2a→X band, which peaks at 7879 and 7863 cm -1 in argon, is interpreted as sensitized emission from O 2 trapped in distinct nearest neighbour positions of the donor 3I 2. Annealing reverses the intensity of the doublet, showing that the sites can be interconverted. It is suggested that the a→X emission rate is enhanced by the sensitizer, causing a lifetime reduction of the a 1Δ g state from 79 s in pure argon to 21 and 3±1 s next to I 2. The long-lived O 2(a 1Δ g) state is the precursor of I 2-sensitized emission from O 2(b 1Σ g+). The lifetime of O 2(b 1Σ g+) is reduced from 24.5 ms in pure argon to 17±1 ms in the presence of I 2.

  19. Rotational barriers. 1. 1,2-dihaloethanes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wiberg, K.B.; Murcko, M.A.

    1987-06-18

    The rotational barrier about the C-C bond of 1,2-dichloroethane has been calculated by using several basis sets (4-31G, 6-31G*, 6-31+G*, and 6-31++G**) and including electron correlation. Corrections for zero-point energy differences, and the differences in enthalpy change from 0 to 298 K, were made by using the calculated geometries and vibrational frequencies. The trans/gauche energy difference was found to be 1.39 kcal/mol as compared to the observed value, 1.1 +/- 0.1 kcal/mol. The intramolecular interactions in the several rotamers are discussed. The trans/gauche energy difference for 1,2-difluoroethane also was calculated (MP3/6-311++G**) and was found to be 0.76 kcal/mol favoring themore » gauche conformer, again in good agreement with the experimental value of 0.57 +/- 0.09 kcal/mol. The trend in trans/gauche energy differences in the series n-butane, 1,2-dichloroethane, 1,2-difluoroethane is noted.« less

  20. A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones.

    PubMed

    Chopra, Deepak; Mohan, T P; Vishalakshi, B; Row, T N Guru

    2007-12-01

    In the molecular structures of a series of substituted chalcones, namely (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-one, C21H15FO2, (I), (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one, C21H14F2O2, (II), (2E)-1-(4-chlorophenyl)-3-(2-fluoro-4-phenoxyphenyl)prop-2-en-1-one, C21H14ClFO2, (III), (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C22H17FO2, (IV), and (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, C22H17FO3, (V), the configuration of the keto group with respect to the olefinic double bond is s-cis. The molecules pack utilizing weak C-H...O and C-H...pi intermolecular contacts. Identical packing motifs involving C-H...O interactions, forming both chains and dimers, along with C-H...pi dimers and pi-pi aromatic interactions are observed in the fluoro, chloro and methyl derivatives.

  1. 40 CFR 721.1637 - 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4-methylphenyl)sulfonyl] oxy]ethoxy]-3-(2...)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4-methylphenyl)sulfonyl] oxy]ethoxy]-3-(2...

  2. 40 CFR 721.1637 - 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1,2-Propanediol, 3-(2-propenyloxy)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4-methylphenyl)sulfonyl] oxy]ethoxy]-3-(2...)-, bis(4-methylbenzene sulfonate); 2-propanol, 1-[2-[[(4-methylphenyl)sulfonyl] oxy]ethoxy]-3-(2...

  3. 1 CFR 2.1 - Scope and purpose.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Scope and purpose. 2.1 Section 2.1 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.1 Scope and purpose. (a) This chapter sets forth the policies, procedures, and delegations under which the...

  4. 1 CFR 2.1 - Scope and purpose.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 1 General Provisions 1 2011-01-01 2011-01-01 false Scope and purpose. 2.1 Section 2.1 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.1 Scope and purpose. (a) This chapter sets forth the policies, procedures, and delegations under which the...

  5. 1 CFR 2.1 - Scope and purpose.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 1 General Provisions 1 2014-01-01 2012-01-01 true Scope and purpose. 2.1 Section 2.1 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.1 Scope and purpose. (a) This chapter sets forth the policies, procedures, and delegations under which the...

  6. 1 CFR 2.1 - Scope and purpose.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 1 General Provisions 1 2012-01-01 2012-01-01 false Scope and purpose. 2.1 Section 2.1 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.1 Scope and purpose. (a) This chapter sets forth the policies, procedures, and delegations under which the...

  7. 1 CFR 2.1 - Scope and purpose.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 1 General Provisions 1 2013-01-01 2012-01-01 true Scope and purpose. 2.1 Section 2.1 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.1 Scope and purpose. (a) This chapter sets forth the policies, procedures, and delegations under which the...

  8. Unimolecular HCl and HF elimination reactions of 1,2-dichloroethane, 1,2-difluoroethane, and 1,2-chlorofluoroethane: assignment of threshold energies.

    PubMed

    Duncan, Juliana R; Solaka, Sarah A; Setser, D W; Holmes, Bert E

    2010-01-21

    The recombination of CH(2)Cl and CH(2)F radicals generates vibrationally excited CH(2)ClCH(2)Cl, CH(2)FCH(2)F, and CH(2)ClCH(2)F molecules with about 90 kcal mol(-1) of energy in a room temperature bath gas. New experimental data for CH(2)ClCH(2)F have been obtained that are combined with previously published studies for C(2)H(4)Cl(2) and C(2)H(4)F(2) to define reliable rate constants of 3.0 x 10(8) (C(2)H(4)F(2)), 2.4 x 10(8) (C(2)H(4)Cl(2)), and 1.9 x 10(8) (CH(2)ClCH(2)F) s(-1) for HCl and HF elimination. The product branching ratio for CH(2)ClCH(2)F is approximately 1. These experimental rate constants are compared to calculated statistical rate constants (RRKM) to assign threshold energies for HF and HCl elimination. The calculated rate constants are based on transition-state models obtained from calculations of electronic structures; the energy levels of the asymmetric, hindered, internal rotation were directly included in the state counting to obtain a more realistic measure for the density of internal states for the molecules. The assigned threshold energies for C(2)H(4)F(2) and C(2)H(4)Cl(2) are both 63 +/- 2 kcal mol(-1). The threshold energies for CH(2)ClCH(2)F are 65 +/- 2 (HCl) and 63 +/- 2 (HF) kcal mol(-1). These threshold energies are 5-7 kcal mol(-1) higher than the corresponding values for C(2)H(5)Cl or C(2)H(5)F, and beta-substitution of F or Cl atoms raises threshold energies for HF or HCl elimination reactions. The treatment presented here for obtaining the densities of states and the entropy of activation from models with asymmetric internal rotations with high barriers can be used to judge the validity of using a symmetric internal-rotor approximation for other cases. Finally, threshold energies for the 1,2-fluorochloroethanes are compared to those of the 1,1-fluorochloroethanes to illustrate substituent effects on the relative energies of the isomeric transition states.

  9. Electrocatalytic properties of three new POMs-based inorganic–organic frameworks with flexible zwitterionic dicarboxylate ligands

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ren, Yanli; Li, Ling; Mu, Bao

    2017-05-15

    Three POMs–based inorganic–organic frameworks, namely, [Cu{sub 2}(L){sub 2}(SiW{sub 12}O{sub 40})(H{sub 2}O){sub 2}]·6H{sub 2}O (1), [Co{sub 2}(L){sub 2}(SiW{sub 12}O{sub 40})(H{sub 2}O){sub 8}]·8H{sub 2}O (2) and [Ni{sub 2}(L){sub 2}(SiW{sub 12}O{sub 40})(H{sub 2}O){sub 8}]·6H{sub 2}O (3), (L=1,1′-(1,4-phenylene-bis(methylene))-bis(pyridine-3-carboxylic acid)), have been synthesized and characterized by elemental analyses, IR, XRPD, TG, and single crystal X-ray diffraction. Compound 1 contains 1D double chains decorated by (Cu{sub 2}(L){sub 4}(H{sub 2}O){sub 2}) units and the 1D chains and POMs are stacked to yield 2D frameworks. Compound 2 displays a 2D network constructed from 1D zigzag chains and POMs arranged in ABAB mode. Compound 3 consists of big squaremore » girds and the POMs are dispersed in the middle of the two adjacent girds, forming 2D networks. Compounds 1–3 all show structural integrity in aqueous solutions at different pH values and in common organic solvents. Additionally, the fluorescence and electrochemical properties of compounds 1–3 are also investigated. Compounds 1–3 exhibit good electrocatalytic activities for the reduction of NaNO{sub 2} and H{sub 2}O{sub 2}. - Highlights: • Compound 1–3 all contain different 1D chains. The noncovalent interaction of metal–organic moieties from compounds 1–3 and POMs to construct three new host–guest supramolecular compounds. • Compounds 1–3 show good electrocatalytic activities towards the reduction of NaNO{sub 2} and H{sub 2}O{sub 2}. • Compounds 1–3 all show structural integrity in aqueous solutions at different pH values and in common organic solvents. • Compounds 1–3 may be promising luminescent materials due to their luminescent properties.« less

  10. Synthesis and molecular crystal of 3-Chloro-2-(1-chloro-1-methyl-ethyl)-2,3-dihydro-1H-naphtho[2,1-b]oxepin-4-one

    NASA Astrophysics Data System (ADS)

    Tittal, Ram Kumar

    2018-03-01

    CuCl/TMEDA-promoted halogen atom transfer radical cyclization (HATRC) of dichloroacetic acid 1-(3-methyl-but-2-enyl)-naphthalen-2-yl ester in refluxing DCE gave chlorine containing 7-member lactone 3-Chloro-2-(1-chloro-1-methyl-ethyl)-2,3-dihydro-1H-naphtho[2,1-b]oxepin-4-one via 7-exo trig radical cyclization reaction. The structure of the Lactone was confirmed by X-ray diffraction data.

  11. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khader, S. Abdul, E-mail: khadersku@gmail.com; Sankarappa, T., E-mail: sankarappa@rediffmail.com; Muneeswaran, M.

    The Particulate nano-composites of ferrite and ferroelectric phases having the general formula (x) Mg{sub 0.25}Cu{sub 0.25}Zn{sub 0.5}Fe{sub 2}O{sub 4} + (1-x) BaTiO{sub 3} (x=15%, 30% and 45%) were synthesized by sintering mixtures of highly ferroelectric BaTiO{sub 3} (BT) and highly magneto-strictive magnetic component Mg{sub 0.25}Cu{sub 0.25}Zn{sub 0.5}Fe{sub 2}O{sub 4}(MCZF). The presence of constituent phases of ferrite, ferroelectric and their composites were probed and confirmed by X-ray diffraction (XRD) studies. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM). The variation of dielectric constant and dissipation factor as a function of frequency from 100 Hzmore » to 1 MHz at room temperature were carried out using a Hioki LCR Hi-Tester. The dielectric constant and dielectric loss were found to decrease rapidly in the low frequency region and became almost constant in the high frequency region. The electrical conductivity deduced from the measured dielectric data has been thoroughly analyzed and found that the conduction mechanism in these composites is in conformity with small polaron hopping model. The ferroelectric properties of synthesized magneto-electric nano-composites were measured using P-E loop tracer.« less

  12. Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.

    PubMed

    Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A

    2014-10-17

    Reacting (Z)-N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-1H-pyrazol-5-amines 5 with Et2NH and then with concd H2SO4 gives 5H-pyrazolo[3,4-e][1,2,4]dithiazine-3-carbonitriles 7 in good yields (74-85%) and 6H-pyrazolo[3,4-f][1,2,3,5]trithiazepine-4-carbonitriles 9 as minor products (0-6%). Furthermore, the 1,3-dimethylpyrazole analogue 5a was transformed into the dithiazine 7a in two discrete steps, allowing the isolation of a disulfide intermediate (Z)-2-[(diethylamino)disulfan-yl]-2-[(1H-pyrazol-5-yl)imino]acetonitrile (8a). The one-pot, two-step reaction also worked with electron-rich hydroxy- and methoxy-substituted anilines. Thermolysis of the pyrazolo[3,4-e][1,2,4]dithiazines 7 gave the ring-contracted 1H-pyrazolo[3,4-d]thiazole-5-carbonitriles 6 (94-100%). With active sulfur, 1,3-dimethyl-5H-pyrazolo[3,4-e][1,2,4]dithiazine-3-carbonitrile (7a) gave 1,3-dimethyl-6H-pyrazolo[3,4-f][1,2,3,5]trithiazepine-4-carbonitrile (9a), but on prolonged reaction times, it gave 5,7-dimethyl-5H-[1,2,3]dithiazolo[4,5-b]pyrazolo[3,4-e][1,4]thiazine (13). Finally, in the absence of acid, heating a solution of (Z)-2-[(diethylamino)disulfanyl]-2-[(1,3-dimethyl-1H-pyrazol-5-yl)imino]acetonitrile (8a) gave 4,6,10,12-tetramethyl-6H-pyrazolo[3,4-f]pyrazolo[3',4':4,5]pyrimido[6,1-d][1,2,3,5]trithiazepine-8,12b(10H)-dicarbonitrile (19) (67%).

  13. Obtaining T1-T2 distribution functions from 1-dimensional T1 and T2 measurements: The pseudo 2-D relaxation model

    NASA Astrophysics Data System (ADS)

    Williamson, Nathan H.; Röding, Magnus; Galvosas, Petrik; Miklavcic, Stanley J.; Nydén, Magnus

    2016-08-01

    We present the pseudo 2-D relaxation model (P2DRM), a method to estimate multidimensional probability distributions of material parameters from independent 1-D measurements. We illustrate its use on 1-D T1 and T2 relaxation measurements of saturated rock and evaluate it on both simulated and experimental T1-T2 correlation measurement data sets. Results were in excellent agreement with the actual, known 2-D distribution in the case of the simulated data set. In both the simulated and experimental case, the functional relationships between T1 and T2 were in good agreement with the T1-T2 correlation maps from the 2-D inverse Laplace transform of the full 2-D data sets. When a 1-D CPMG experiment is combined with a rapid T1 measurement, the P2DRM provides a double-shot method for obtaining a T1-T2 relationship, with significantly decreased experimental time in comparison to the full T1-T2 correlation measurement.

  14. 40 CFR 721.10408 - Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2,2...-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2...-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2...

  15. 40 CFR 721.10408 - Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2,2...-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2...-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2...

  16. 40 CFR 721.10408 - Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2,2...-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl) oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2...-ethanediyl)], .alpha.-[2-[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene] amino] methylethyl]-.omega.-[2-[[2...

  17. 40 CFR 721.8145 - Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8145 Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as propane,1...

  18. Nucleon Charges from 2+1+1-flavor HISQ and 2+1-flavor clover lattices

    DOE PAGES

    Gupta, Rajan

    2016-07-24

    Precise estimates of the nucleon charges g A, g S and g T are needed in many phenomenological analyses of SM and BSM physics. In this talk, we present results from two sets of calculations using clover fermions on 9 ensembles of 2+1+1-flavor HISQ and 4 ensembles of 2+1-flavor clover lattices. In addition, we show that high statistics can be obtained cost-effectively using the truncated solver method with bias correction and the coherent source sequential propagator technique. By performing simulations at 4–5 values of the source-sink separation t sep, we demonstrate control over excited-state contamination using 2- and 3-state fits.more » Using the high-precision 2+1+1-flavor data, we perform a simultaneous fit in a, M π and M πL to obtain our final results for the charges.« less

  19. Appearance of small polaron hopping conduction in iron modified cobalt lithium bismuth borate glasses

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dahiya, M. S.; Khasa, S., E-mail: skhasa@yahoo.com; Yadav, Arti

    2016-05-23

    Lithium bismuth borate glasses containing different amounts of cobalt and iron oxides having chemical composition xFe{sub 2}O{sub 3}•(20-x)CoO•30Li{sub 2}O•10Bi{sub 2}O{sub 3}•40B{sub 2}O{sub 3} (x = 0, 5, 10, 15 and 20 mol% abbreviated as CFLBB1-5 respectively) prepared via melt quench technique have been investigated for their dc electrical conductivity. The amorphous nature of prepared glasses has been confirmed through X-ray diffraction measurements. The dc electrical conductivity has been analyzed by applying Mott’s small polaron hopping model. Activation energies corresponding to lower and higher temperature region have been evaluated. The iron ion concentration (N), mean spacing between iron ions (R) and polaronmore » radius (R{sub p}) has been evaluated using the values of phonon radius (R{sub ph}) and Debye temperature (θ{sub D}). The glass sample without iron (CFLBB1) shows ionic conductivity but the incorporation of iron in the glass matrix results in the appearance of electronic conductivity.« less

  20. 4-Aza-1-azoniabicyclo­[2.2.2]octa­ne–2-amino­benzoate–2-amino­benzoic acid (1/1/1)

    PubMed Central

    Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.

    2011-01-01

    A 4-aza-1-azoniabicyclo­[2.2.2]octane cation, a 2-amino­benzoate anion and a neutral 2-amino­benzoic acid mol­ecule comprise the asymmetric unit of the title compound, C6H13N2 +·C7H6NO2 −·C7H7NO2. An intra­molecular N—H⋯O hydrogen bond occurs in the anion and in the neutral 2-amino­benzoic acid mol­ecule. The cation provides a charge-assisted N—H⋯O hydrogen bond to the anion, and the 2-amino­benzoic acid mol­ecule forms an O—H⋯N hydrogen bond to the unprotonated amino N atom in the cation. In this way, a three-component aggregate is formed. These are connected into a three-dimensional network by amino–carboxyl­ate N—H⋯O hydrogen bonds. N—H⋯N hydrogen bonds are also observed. PMID:22219964

  1. CH(X2∏, a4∑-) ... OH2 and CH2(X˜3B1, ã1A1) ... OH2 interactions. A first principles investigation

    NASA Astrophysics Data System (ADS)

    Tzeli, Demeter; Mavridis, Aristides

    We have investigated the interaction of the methylidene, CH(X2∏, a4∑-) and methylene, CH2(X˜3B1, ã1A1) with H2O, employing the (P)MPn (n = 2, 4) techniques in conjunction with the sequence of correlation consistent basis sets aug-cc-pVxZ, x = 2, 3, and 4. For the CH ... OH2 system, we have located four minima (m) and three transition states (ts) and for the CH2 ... OH2, five minima and four transition states. All our results have been corrected for zero-point energy (ZPE) and basis set superposition errors (BSSE), while for the most important m_ structures, we report complete basis set (CBS) interaction limits. We also report fully optimized geometries, harmonic frequencies, dipole moments, Mulliken charges, and potential energy curves. The highest CH(X2∏) ... OH2 (m1_2∏) and CH21A1) ... OH2 (m1_1A1) interactions are the result of electron transfer from the oxygen atom to the empty pπ orbitals of CH(X2∏) and CH21A1), respectively (ylide-like structures). At the (P)MP4/AQZ//MP2/ATZ level, including ZPE, BSSE, and CBS extrapolation, we obtain ΔE0(BSSE)+CBS = -9.36 kcal/mol at rC ... O = 1.752 Å, and -9.73 kcal/mol at rC ... O = 1.741 Å for the m1_2∏ and m1_1A1, respectively.

  2. 40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 2-Oxepanone, polymer with 4,4â²-(1... Substances § 721.7160 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth...

  3. 1. Credit WCT. Original 2 1/4" x 2 1/4" color ...

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

    1. Credit WCT. Original 2- 1/4" x 2- 1/4" color negative is housed in the JPL Photography Laboratory, Pasadena, California. This view shows the remote charge trimmer, a vertical lathe for turning propellant castings ("grain") in the front room of this structure. Ron Wright is shown in charge of the procedure; the hoist operator is unidentified. Grain for a BATES (Ballistic And Test Evaluation System) motor is being lowered into the lathe with a hoist and specially designed BATES fitting. The spout and waste barrel, in the foreground, collects waste trimmings for disposal (JPL negative no. JPL10286BC, 27 January 1989) - Jet Propulsion Laboratory Edwards Facility, Preparation Building, Edwards Air Force Base, Boron, Kern County, CA

  4. Novel routes to 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazines and 5,6,9,10,11,11a-hexahydro-8H-pyrido[1,2-a]pyrrolo[2,1-c]pyrazines.

    PubMed

    Katritzky, Alan R; Jain, Ritu; Xu, Yong-Jiang; Steel, Peter J

    2002-11-15

    Condensation reactions of benzotriazole and 2-(pyrrol-1-yl)-1-ethylamine (1) with formaldehyde and glutaric dialdehyde, respectively, afforded intermediates 2 and 6. Subsequent nucleophilic substitutions of the benzotriazole group in 2 and 6 with Grignard reagents, sodium cyanide, and sodium borohydride gave 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazines 3a-e, 4, 5 and 5,6,9,10,11,11a-hexahydro-8H-pyrido[1,2-a]pyrrolo[2,1-c]pyrazines 7a-c, 8, 9, respectively, in good yields.

  5. 1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine: An anticancer agent targeting hypoxic cells

    PubMed Central

    Seow, Helen A.; Penketh, Philip G.; Shyam, Krishnamurthy; Rockwell, Sara; Sartorelli, Alan C.

    2005-01-01

    To target malignant cells residing in hypoxic regions of solid tumors, we have designed and synthesized prodrugs generating the cytotoxic alkylating species 1,2-bis(methylsulfonyl)-1-(2-chloroethyl)hydrazine (90CE) after bioreductive activation. We postulate that one of these agents, 1,2-bis(methylsulfonyl)-1-(2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine (KS119), requires enzymatic nitro reduction to produce 90CE, whereas another agent, 1,2-bis(methylsulfonyl)-1-(2-chloroethyl)-2-[(4-nitrobenzyloxy)carbonyl]hydrazine (PNBC), can also be activated by nucleophilic attack by thiols such as glutathione (GSH)/GST. We demonstrated that these agents selectively kill hypoxic EMT6 mouse mammary carcinoma and CHO cells. In hypoxia, 50 μM KS119 produced 5 logs of kill of EMT6 cells without discernable cytotoxicity in air; similar effects were observed with CHO cells. PNBC was less efficacious against hypoxic tumor cells and also had some toxicity to aerobic cells, presumably because of GST/thiol activation, making PNBC less interesting as a selective hypoxic-cell cytotoxin. BALB/c mice with established EMT6 solid tumors were used to demonstrate that KS119 could reach and kill hypoxic cells in solid tumors. To gain information on bioreductive enzymes involved in the activation of KS119, cytotoxicity was measured in CHO cell lines overexpressing NADH:cytochrome b5 reductase (NBR), NADPH:cytochrome P450 reductase (NPR), or NAD(P)H: quinone oxidoreductase 1 (NQO1). Increased cytotoxicity occurred in cells overexpressing NBR and NPR, whereas overexpressed NQO1 had no effect. These findings were supported by enzymatic studies using purified NPR and xanthine oxidase to activate KS119. KS119 has significant potential as a hypoxia-selective tumor-cell cytotoxin and is unlikely to cause major toxicity to well oxygenated normal tissues. PMID:15964988

  6. DFT, spectroscopic studies, NBO, NLO and Fukui functional analysis of 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide

    NASA Astrophysics Data System (ADS)

    Zacharias, Adway Ouseph; Varghese, Anitha; Akshaya, K. B.; Savitha, M. S.; George, Louis

    2018-04-01

    A novel triazole derivative 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide was synthesized and subjected to density functional theory (DFT) studies employing B3LYP/6-31+G(d,p) basis set. Characterization was done by FT-IR, Raman, mass, 1H NMR and 13C NMR spectroscopic analyses. The stability of the molecule was evaluated from NBO studies. Delocalization of electron charge density and hyper-conjugative interactions were accountable for the stability of the molecule. The dipole moment (μ), mean polarizabilty (△α) and first order hyperpolarizability (β) of the molecule were calculated. Molecular electrostatic potential studies, HOMO-LUMO and thermodynamic properties were also determined. HOMO and LUMO energies were experimentally determined by Cyclic Voltammetry.

  7. Liquid-air partition coefficients of 1,1-difluoroethane (HFC152a), 1,1,1-trifluoroethane (HFC143a), 1,1,1,2-tetrafluoroethane (HFC134a), 1,1,1,2,2-pentafluoroethane (HFC125) and 1,1,1,3,3-pentafluoropropane (HFC245fa).

    PubMed

    Ernstgård, Lena; Lind, Birger; Andersen, Melvin E; Johanson, Gunnar

    2010-01-01

    Blood-air and tissue-blood coefficients (lambda) are essential to characterize the uptake and disposition of volatile substances, e.g. by physiologically based pharmacokinetic (PBPK) modelling. Highly volatile chemicals, including many hydrofluorocarbons (HFC) have low solubility in liquid media. These characteristics pose challenges for determining lambda values. A modified head-space vial equilibrium method was used to determine lambda values for five widely used HFCs. The method is based on automated head-space gas chromatography and injection of equal amount of chemical in two head-space vials with identical air phase volumes but different volumes of the liquid phase. The liquids used were water (physiological saline), fresh human blood, and olive oil. The average lambda values (n = 8) were as follows: 1,1-difluoroethane (HFC152a) - 1.08 (blood-air), 1.11 (water-air) and 5.6 (oil-air); 1,1,1-trifluoroethane (HFC143a) - 0.15, 0.15 and 1.90; 1,1,1,2-tetrafluoroethane (HFC134a) - 0.36, 0.35 and 3.5; 1,1,1,2,2-pentafluoroethane (HFC125) - 0.083, 0.074 and 1.71; and 1,1,1,3,3-pentafluoropropane (HFC245fa) - 0.62, 0.58 and 12.1. The lambda values appeared to be concentration-independent in the investigated range (2-200 ppm). In spite of the low lambda values, the method errors were modest, with coefficients of variation of 9, 11 and 10% for water, blood and oil, respectively.

  8. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Giapintzakis, J.; Lee, W.C.; Rice, J.P.

    Single crystals of R{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7-{delta}}, (R=Y, Eu and Gd), have been irradiated with 0.4--1.0 MeV electrons in directions near the c-axis. An incident threshold electron energy for producing flux pinning defects has been found. In-situ TEM studies found no visible defects induced by electron irradiation. This means that point defects or small clusters ({le} 20 {Angstrom}) are responsible for the extra pinning. A consistent interpretation of the data suggests that the most likely pinning defect is the displacement of a Cu atom from the CuO{sub 2} planes.

  9. 2-chloroethanol formation as evidence for a 2-chloroethyl alkylating intermediate during chemical degradation of 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea and 1-(2-chloroethyl)-3-(trans-4-methylcyclohexyl)-1-nitrosourea.

    PubMed

    Reed, D J; May, H E; Boose, R B; Gregory, K M; Beilstein, M A

    1975-03-01

    Chemical degradation of 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea or 1-(2-chloroethyl)-3-(trans-4-methylcyclohexyl)-1-nitrosourea in buffer under physiological conditions resulted in the formation of a significant quantity of 2-chlorethanol (18 to 25% of the initial nitrosourea concentration). Other degradation products observed included acetaldehyde (5 to 10%), vinyl chloride (1 to 2%), ethylene (1 to 2%), and cyclohexylamine (32%), but not 1,3-dicyclohexylurea. The 2-chlorethyl moiety of 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea was trapped with halide ions, CI-, BR-, and I-, to form the corresponding dihaloethanes which were identified by gas chromatography-mass spectrometry techniques. High-pressure liquid chromatographic procedures were developed for the separation and quantiation of the nitrosoureas and many of their degradation products. It is postulated that a new mode of 1(2-chloreoethyl)-3-cyclohexyl-1-nitrosourea and 1-(2-chloroethyl)-3-(trans-4-methylcyclohexyl)-1-nitrosourea degradation can occur that is not the loss of the chloro group as chloride ion, but the loss of the N-3 hydrogen as a proton. Then the corresponding isocyanate and 2-chloroethyidiazene hydroxide are formed, with the latter intermidiate becoming an alkylating species, possibly in part as a 2-chloroethyl carbonium ion.

  10. Kinetics of O{sub 2}({sup 1{Sigma}}) formation in the reaction O{sub 2}({sup 1{Delta}}) + O{sub 2}({sup 1{Delta}}) {yields} O{sub 2}({sup 1{Sigma}}) + O{sub 2}({sup 3{Sigma}})

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zagidullin, M V; Khvatov, N A; Nyagashkin, A Yu

    2011-02-28

    The dependence of the ratio of specific powers of dimole radiation of singlet oxygen in the 634 nm band and in the b - X band of the O{sub 2}({sup 1{Sigma}}) molecule in the O{sub 2}(X) - O{sub 2}({sup 1{Delta}}) - O{sub 2}({sup 1{Sigma}}) - H{sub 2}O - CO{sub 2} mixture on the CO{sub 2} concentration is measured. As a result, the rate constant of the reaction O{sub 2}({sup 1{Delta}}) + O{sub 2}({sup 1{Delta}}) {yields} O{sub 2}({sup 1{Sigma}}) + O{sub 2}({sup 3{Sigma}}) at the temperature {approx}330 K is found to equal (4.5 {+-} 1.1) 10{sup -17} cm{sup 3} s{sup -1}.more » (active media)« less

  11. Vapor-liquid equilibria for 1,1-difluoroethane + acetylene and 1,1-difluoroethane + 1,1-dichloroethane at 303.2 K and 323.2 K

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lim, J.S.; Lee, Y.W.; Kim, J.D.

    1996-09-01

    Isothermal vapor-liquid equilibria for 1,1-difluoroethane (HFC-152a) + acetylene and 1,1-difluoroethane + 1,1-dichloroethane (HCC-150a) were measured in a circulation type apparatus at 303.2 K and 323.2 K. The experimental data were correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rule, and the relevant parameters are presented.

  12. Kir2.1 Interaction with Stk38 Promotes Invasion and Metastasis of Human Gastric Cancer by Enhancing MEKK2-MEK1/2-ERK1/2 Signaling.

    PubMed

    Ji, Cheng-Dong; Wang, Yan-Xia; Xiang, Dong-Fang; Liu, Qiang; Zhou, Zhi-Hua; Qian, Feng; Yang, Lang; Ren, Yong; Cui, Wei; Xu, Sen-Lin; Zhao, Xi-Long; Zhang, Xia; Wang, Yan; Zhang, Peng; Wang, Ji-Ming; Cui, You-Hong; Bian, Xiu-Wu

    2018-06-01

    Potassium ion channels are emerging as promalignant factors involved in cancer progression. In this study, we found that invading human gastric cancer cells express high levels of inwardly rectifying potassium channel 2.1 (Kir2.1). Silencing Kir2.1 markedly reduced the invasive and metastatic capabilities as well as the epithelial-mesenchymal transition (EMT) of gastric cancer cells. The promalignant nature of Kir2.1 in gastric cancer cells was independent of potassium permeation but relied on its interaction with serine/threonine-protein kinase 38 (Stk38) to inhibit ubiquitination and degradation of mitogen-activated protein kinase kinase kinase 2 (MEKK2). Degradation of MEKK2 was mediated by small mothers against decapentaplegic-specific E3 ubiquitin protein ligase 1 (Smurf1), which resulted in activation of the MEK1/2-ERK1/2-Snail pathway in gastric cancer cells. In human gastric cancer tissues, expression was high and positively correlated with invasion depth and metastatic status of the tumors as well as poor overall patient survival. Cox regression analysis identified Kir2.1 as an independent prognostic indicator for patients with gastric cancer. Our results suggest that Kir2.1 is an important regulator of gastric cancer malignancy and acts as a novel prognostic marker and a therapeutic target for gastric cancer. Significance: Kir2.1 contributes to invasion and metastasis by a noncanonical ion permeation-independent signaling pathway and may act as a novel prognostic marker and therapeutic target for gastric cancer. Cancer Res; 78(11); 3041-53. ©2018 AACR . ©2018 American Association for Cancer Research.

  13. The nature of the active surface of the Cu/ZSM-5 catalyst in the reaction of NO reduction with hydrocarbons

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ilichev, A.N.; Ukharskii, A.A.; Matyshak, V.A.

    1995-03-01

    Data are obtained on the concentration of Cu{sup 2+}{sub isol}, Cu{sub ass}, and Cu{sup +} ions and the activity in the reaction of NO reduction with propane on copper-containing zeolites (0.15-2.86% Cu/ZSM-5). A correlation between the NO conversion and Cu{sup 2+}{sub isol} concentration is found and discussed.

  14. Synthesis and characterization of potent and selective mu-opioid receptor antagonists, [Dmt(1), D-2-Nal(4)]endomorphin-1 (Antanal-1) and [Dmt(1), D-2-Nal(4)]endomorphin-2 (Antanal-2).

    PubMed

    Fichna, Jakub; do-Rego, Jean-Claude; Chung, Nga N; Lemieux, Carole; Schiller, Peter W; Poels, Jeroen; Broeck, Jozef Vanden; Costentin, Jean; Janecka, Anna

    2007-02-08

    To synthesize potent antagonists of the mu-opioid receptor, we prepared a series of endomorphin-1 and endomorphin-2 analogues with 3-(1-naphthyl)-d-alanine (d-1-Nal) or 3-(2-naphthyl)-d-alanine (d-2-Nal) in position 4. Some of these analogues displayed weak antagonist properties. We tried to strengthen these properties by introducing the structurally modified tyrosine residue 2,6-dimethyltyrosine (Dmt) in place of Tyr1. Among the synthesized compounds, [Dmt1, d-2-Nal4]endomorphin-1, designated antanal-1, and [Dmt1, d-2-Nal4]endomorphin-2, designated antanal-2, turned out to be highly potent and selective mu-opioid receptor antagonists, as judged on the basis of two functional assays, the receptor binding assay and the hot plate test of analgesia. Interestingly, another analogue of this series, [Dmt1, d-1-Nal4]endomorphin-1, turned out to be a moderately potent mixed mu-agonist/delta-antagonist.

  15. 78 FR 79007 - 1,1,1,2-Tetrafluoroethane From China

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-27

    ...,2-Tetrafluoroethane From China Determinations On the basis of the record \\1\\ developed in the... reason of imports from China of 1,1,1,2- Tetrafluoroethane, provided for in subheadings 2903.39.20 of the... the Government of China. \\1\\ The record is defined in sec. 207.2(f) of the Commission's Rules of...

  16. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jedrecy, N., E-mail: jedrecy@insp.jussieu.fr; Hamieh, M.; Hebert, C.

    We show that the well-established universal scaling σ{sub xy}{sup AHE} ∼ σ{sub xx}{sup 1.6} between anomalous Hall and longitudinal conductivities in the low conductivity regime (σ{sub xx} < 10{sup 4} Ω{sup −1} cm{sup −1}) transforms into the scaling σ{sub xy}{sup AHE} ∼ σ{sub xx}{sup 2} at the onset of strong electron localization. The crossover between the two relations is observed in magnetite-derived Zn{sub x}Fe{sub 3-x}O{sub 4} thin films where an insulating/hopping regime follows a bad metal/hopping regime below the Verwey transition temperature T{sub v}. Our results demonstrate that electron localization effects come into play in the anomalous Hall effect (AHE)more » modifying significantly the scaling exponent. In addition, the thermal evolution of the anomalous Hall resistivity suggests the existence of spin polarons whose size would decrease below T{sub v}.« less

  17. Synthesis of Single and Double Dibenzohelicenes by Rhodium-Catalyzed Intramolecular [2+2+2] and [2+1+2+1] Cycloaddition.

    PubMed

    Yamano, Ryota; Shibata, Yu; Tanaka, Ken

    2018-04-25

    Dibenzo[7]helicenes were synthesized with up to 99 % ee by rhodium(I)/binap-catalyzed enantioselective intramolecular [2+2+2] cycloaddition of 2-phenylnaphthalene-linked triynes. Additionally, [2+1+2+1] cycloaddition products, that is, twisted anthracenes, were also synthesized by using difluorphos as ligand. Although these compounds are not configurationally stable at elevated temperature, their Scholl reactions afforded configurationally stable double dibenzo[6]helicenes. The thus-obtained dibenzo[7]helicene exhibited good circularly polarized luminescence property and the double dibenzo[6]helicene showed high fluorescence quantum yield. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. 26 CFR 1.1-2 - Limitation on tax.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Limitation on tax. 1.1-2 Section 1.1-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY INCOME TAX INCOME TAXES Normal Taxes and Surtaxes § 1.1-2 Limitation on tax. (a) Taxable years ending before January 1, 1971. For taxable years...

  19. Spin-glass behavior of Sn{sub 0.9}Fe{sub 3.1}N: An experimental and quantum-theoretical study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Scholz, Tanja; Dronskowski, Richard, E-mail: drons@HAL9000.ac.rwth-aachen.de

    Based on comprehensive experimental and quantum-theoretical investigations, we identify Sn{sub 0.9}Fe{sub 3.1}N as a canonical spin glass and the first ternary iron nitride with a frustrated spin ground state. Sn{sub 0.9}Fe{sub 3.1}N is the end member of the solid solution Sn{sub x}Fe{sub 4−x}N (0 < x ≤ 0.9) derived from ferromagnetic γ′-Fe{sub 4}N. Within the solid solution, the gradual incorporation of tin is accompanied by a drastic weakening of the ferromagnetic interactions. To explore the dilution of the ferromagnetic coupling, the highly tin-substituted Sn{sub 0.9}Fe{sub 3.1}N has been magnetically reinvestigated. DC magnetometry reveals diverging susceptibilities for FC and ZFC measurementsmore » at low temperatures and an unsaturated hysteretic loop even at high magnetic fields. The temperature dependence of the real component of the AC susceptibility at different frequencies proves the spin-glass transition with the characteristic parameters T{sub g}  =  12.83(6) K, τ{sup *} = 10{sup −11.8(2)} s, zv = 5.6(1) and ΔT{sub m}/(T{sub m} ⋅ Δlgω) = 0.015. The time-dependent response of the magnetic spins to the external field has been studied by extracting the distribution function of relaxation times g(τ, T) up to T{sub g} from the complex plane of AC susceptibilities. The weakening of the ferromagnetic coupling by substituting tin into γ′-Fe{sub 4}N is explained by the Stoner criterion on the basis of electronic structure calculations and a quantum-theoretical bonding analysis.« less

  20. Object Permanence in 3 1/2- and 4 1/2-Month-Old Infants.

    ERIC Educational Resources Information Center

    Baillargeon, Renee

    1987-01-01

    Three experiments test object permanenece in 3 1/2- and 4 1/2-month-old infants, and use an impossible-possible-habituation event format. The 4 1/2-month-olds, and the 3 1/2-month-olds who were fast habituators, look reliably longer at the impossible than at the possible event. Results seriously question Piaget's (1954) claims regarding the age at…

  1. Methionine Regulates mTORC1 via the T1R1/T1R3-PLCβ-Ca2+-ERK1/2 Signal Transduction Process in C2C12 Cells.

    PubMed

    Zhou, Yuanfei; Ren, Jiao; Song, Tongxing; Peng, Jian; Wei, Hongkui

    2016-10-11

    The mammalian target of rapamycin complex 1 (mTORC1) integrates amino acid (AA) availability to support protein synthesis and cell growth. Taste receptor type 1 member (T1R) is a G protein-coupled receptor that functions as a direct sensor of extracellular AA availability to regulate mTORC1 through Ca 2+ stimulation and extracellular signal-regulated kinases 1 and 2 (ERK1/2) activation. However, the roles of specific AAs in T1R1/T1R3-regulated mTORC1 are poorly defined. In this study, T1R1 and T1R3 subunits were expressed in C2C12 myotubes, and l-AA sensing was accomplished by T1R1/T1R3 to activate mTORC1. In response to l-AAs, such as serine (Ser), arginine (Arg), threonine (Thr), alanine (Ala), methionine (Met), glutamine (Gln), and glycine (Gly), Met induced mTORC1 activation and promoted protein synthesis. Met also regulated mTORC1 via T1R1/T1R3-PLCβ-Ca 2+ -ERK1/2 signal transduction. Results revealed a new role for Met-regulated mTORC1 via an AA receptor. Further studies should be performed to determine the role of T1R1/T1R3 in mediating extracellular AA to regulate mTOR signaling and to reveal its mechanism.

  2. GENOTOXICITY OF 1,3-DICHLOROPROPANE, 2,2-DICHLOROPROPANE, AND 1,1-DICHLOROPROPENE IN SALMONELLA, THE E. COLI PROPHAGE-INDUCTION ASSAY, AND HUMAN HEPH2 CELLS

    EPA Science Inventory

    Genotoxicity of 1,3-Dichloropropane, 2,2-Dichloropropane, and 1,1-Dichloropropene in Salmonella, the E. coli Prophage-Induction Assay and Human HepG2 Cells

    1,3-Dichloropropane (1,3-DCP), 2,2-dichloropropane (2,2-DCP), and 1,1- dichloropropene ( 1,1- DCP) have been detecte...

  3. Synthesis and crystal structures of (2 E )-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione and (2 E )-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lastovickova, Dominika N.; La Scala, John J.; Sausa, Rosario C.

    The molecular structure of (2 E )-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione [C 16 H 10 Cl 2 O 2 , ( 1 )] is composed of two p -chlorophenyl rings, each bonded on opposite ends to a near planar 1,4- trans enedione moiety [–C(=O)—CH=CH—(C=O)–] [r.m.s. deviation = 0.003 (1) Å]. (2 E )-1,4-Bis(4-bromophenyl)but-2-ene-1,4-dione [C 16 H 10 Br 2 O 2 , ( 2 )] has a similar structure to ( 1 ), but with two p -bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011 (1) Å]. Both molecules sit on a center of inversion, thus Z ′ = 0.5. The dihedral angles between themore » ring and the enedione group are 16.61 (8) and 15.58 (11)° for ( 1 ) and ( 2 ), respectively. In the crystal, molecules of ( 1 ) exhibit C—Cl...Cl type I interactions, whereas molecules of ( 2 ) present C—Br...Br type II interactions. van der Waals-type interactions contribute to the packing of both molecules, and the packing reveals face-to-face ring stacking with similar interplanar distances of approximately 3.53 Å.« less

  4. Synthesis and crystal structures of (2 E )-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione and (2 E )-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione

    DOE PAGES

    Lastovickova, Dominika N.; La Scala, John J.; Sausa, Rosario C.

    2018-02-13

    The molecular structure of (2 E )-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione [C 16 H 10 Cl 2 O 2 , ( 1 )] is composed of two p -chlorophenyl rings, each bonded on opposite ends to a near planar 1,4- trans enedione moiety [–C(=O)—CH=CH—(C=O)–] [r.m.s. deviation = 0.003 (1) Å]. (2 E )-1,4-Bis(4-bromophenyl)but-2-ene-1,4-dione [C 16 H 10 Br 2 O 2 , ( 2 )] has a similar structure to ( 1 ), but with two p -bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011 (1) Å]. Both molecules sit on a center of inversion, thus Z ′ = 0.5. The dihedral angles between themore » ring and the enedione group are 16.61 (8) and 15.58 (11)° for ( 1 ) and ( 2 ), respectively. In the crystal, molecules of ( 1 ) exhibit C—Cl...Cl type I interactions, whereas molecules of ( 2 ) present C—Br...Br type II interactions. van der Waals-type interactions contribute to the packing of both molecules, and the packing reveals face-to-face ring stacking with similar interplanar distances of approximately 3.53 Å.« less

  5. In situ study on the effect of thermomigration on intermetallic compounds growth in liquid-solid interfacial reaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Qu, Lin; Zhao, Ning; Ma, Haitao, E-mail: htma@dlut.edu.cn

    2014-05-28

    Synchrotron radiation real-time imaging technology was carried out in situ to observe and characterize the effect of thermomigration on the growth behavior of interfacial intermetallic compounds (IMCs) in Cu/Sn/Cu solder joint during soldering. The thermomigration resulted in asymmetrical formation and growth of the interfacial IMCs. Cu{sub 6}Sn{sub 5} and Cu{sub 3}Sn IMCs formed at the cold end and grew rapidly during the whole soldering process. However, only Cu{sub 6}Sn{sub 5} IMC formed at the hot end and remained relatively thin until solidification. The IMCs at the cold end were nearly seven times thicker than that at the hot end aftermore » solidification. The Cu dissolution at the cold end was significantly restrained, while that at the hot end was promoted, which supplied Cu atoms to diffuse toward the cold end under thermomigration to feed the rapid IMC growth. Moreover, the thermomigration also caused asymmetrical morphology of the interfacial IMCs at the cooling stage, i.e., the Cu{sub 6}Sn{sub 5} IMC at the cold end transformed into facet structure, while that at the hot end remained scallop-type. The asymmetrical growth behavior of the interfacial IMCs was analyzed from the view point of kinetics.« less

  6. 40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

  7. 40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

  8. 40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

  9. 40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

  10. 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether as a co-solvent for high voltage LiNi1/3Co1/3Mn1/3O2/graphite cells

    NASA Astrophysics Data System (ADS)

    Wang, Chengyun; Zuo, Xiaoxi; Zhao, Minkai; Xiao, Xin; Yu, Le; Nan, Junmin

    2016-03-01

    1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether (F-EAE) mixed with ethylene carbonate (EC), diethyl carbonate (DEC), and lithium hexafluorophosphate (LiPF6) is evaluated as a co-solvent high-potential electrolyte of LiNi1/3Co1/3Mn1/3O2/graphite batteries. Linear sweep voltammetry (LSV) and cyclic voltammetry (CV) indicate that the EC/DEC-based electrolyte with F-EAE possesses a high oxidation potential (>5.2 V vs. Li/Li+) and excellent film-forming characteristics. With 40 wt% F-EAE in the electrolyte, the capacity retention of the LiNi1/3Co1/3Mn1/3O2/graphite pouch cells that are cycled between 3.0 and 4.5 V is significantly improved from 28.8% to 86.8% after 100 cycles. In addition, electrochemical impedance spectroscopy (EIS) of three-electrode pouch cells, scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) are used to characterize the effects of F-EAE on the enhanced capacity retention. It is demonstrated that F-EAE facilitates the formation of a stable surface electrolyte interface (SEI) layer with low impedance on the anode and effectively suppresses an increase in the charge-transfer resistance on the cathode. These results suggest that F-EAE can serve as an alternative electrolyte solvent for 4.5 V high voltage rechargeable lithium-ion batteries.

  11. IRIS Toxicological Review of 1,1,2,2-Tetrachloroethane (Final Report)

    EPA Science Inventory

    EPA has finalized the Toxicological Review of 1,1,2,2-Tetrachloroethane: in support of the Integrated Risk Information System (IRIS). Now final, this assessment may be used by EPA’s program and regional offices to inform decisions to protect human health.

  12. 7. Photocopy of photographca. 1927 (2 1/4 X 2 1/4' ...

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

    7. Photocopy of photograph--ca. 1927 (2 1/4 X 2 1/4' negative) DETAIL SHOWING ADAPTATION THAT ALLOWED USE OF UPPER END OF ORIGINAL FLUME AND LOWER END JUST RECONSTRUCTED - Power Flume No. 1, Tacoma, La Plata County, CO

  13. 40 CFR 721.10020 - Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy) ethyl ester.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Benzoic acid, 5-amino-2-chloro-, 1,1... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10020 Benzoic acid, 5-amino-2-chloro... subject to reporting. (1) The chemical substance identified as benzoic acid, 5-amino-2-chloro-, 1,1...

  14. 40 CFR 721.10020 - Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy) ethyl ester.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzoic acid, 5-amino-2-chloro-, 1,1... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10020 Benzoic acid, 5-amino-2-chloro... subject to reporting. (1) The chemical substance identified as benzoic acid, 5-amino-2-chloro-, 1,1...

  15. Ethane-1,1,2-trisphosphonic acid hemihydrate.

    PubMed

    Delain-Bioton, Lise; Lohier, Jean François; Villemin, Didier; Sopková-de Oliveira Santos, Jana; Hix, Gary; Jaffrès, Paul Alain

    2008-02-01

    Ethane-1,1,2-trisphosphonic acid crystallizes as a hemihydrate, C(2)H(9)O(9)P(3).0.5H(2)O, in which the water O atom lies on an inversion centre in the space group P2(1)/c. The acid component, which contains a short but noncentred O-H...O hydrogen bond, adopts a gauche conformation. The acid components are linked by an extensive series of O-H...O hydrogen bonds to form layers, which are linked into pairs by the water molecules.

  16. Palladium-assisted electrodehalogenation of 1,1,2-trichloro-1,2,2-trifluoroethane on lead cathodes combined with hydrogen diffusion anodes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cabot, P.L.; Centelles, M.; Segarra, L.

    1997-11-01

    In this work, the efficiency and product formation in the electroreduction of 1,1,2-trichloro-1,2,2-trifluoroethane (CFC 113) to obtain completely dechlorinated products has been studied using constant-current electrolysis at different current densities, gas chromatography, scanning electron microscopy, and energy dispersive x-ray. While chlorotrifluoroethene was the main product obtained from CFC 113 in MeOH-water solutions containing NH{sub 4}Cl, different and suitable conditions which lead to its complete dechlorination are described in this paper. In the presence of small amounts of Pd{sup 2+} in solution, a very thin film of Pd black was electrodeposited on the Pb cathode and the efficiency of the CFCmore » 113 electroreduction was about 98%. The efficiency was much smaller and the product composition very different in the absence of Pd{sup 2+} in solution, even in the presence of Pd black electrodeposited on the cathode. In the presence of Pd{sup 2+}, the main products in the gas were difluoroethene and trifluoroethene. Small amounts of 1,2-dichloro-1,1,2-trifluoroethane, chlorotrifluoroethene, difluoroethane, and fluoroethane were also present in the gas phase. The liquid composition was enriched in the less volatile compounds. A possible reaction pathway involving the removal of halides by successive reactions is discussed. The anode employed in these experiments was a thin Pd foil with electrodeposited Pd black, which permitted hydrogen diffusion and its further oxidation to H{sup +}. Because of this reaction, contamination of the working electrolyte by other oxidation products such as Cl{sub 2} or MeOH derivatives were avoided. This system allows new electrosynthetic processes along with CFC electrodegradation.« less

  17. Metabolism of the hydrochlorofluorocarbon 1,2-dichloro-1,1-difluoroethane.

    PubMed

    Harris, J W; Anders, M W

    1991-01-01

    1,2-Dichloro-1,1-difluoroethane (HCFC-132b) is a potential substitute for some ozone-depleting chlorofluorocarbons and a model for other 1,1,1,2-tetrahaloethanes under consideration as chlorofluorocarbon substitutes. Male Fischer 344 rats were given 10 mmol/kg HCFC-132b dissolved in corn oil by intraperitoneal injection. An NMR assay for covalent binding of HCFC-132b metabolites to liver proteins was negative, whereas binding was observed in halothane-treated rats. Total urinary metabolites excreted by rats given HCFC-132b during the first 24 h amounted to 1.8 +/- 0.1% of the injected dose, as determined by 19F NMR. During the first 6 h, metabolites of HCFC-132b corresponding to 2-chloro-2,2-difluoroethyl glucuronide, unknown metabolite A, chlorodifluoroacetic acid, and chlorodifluoroacetaldehyde hydrate [both free and conjugated (unknown metabolite B)] were excreted in urine in the approximate ratio 100:9:3:7, respectively. Metabolite A is apparently an O-conjugate of 2-chloro-2,2-difluoroethanol; unconjugated 2-chloro-2,2-difluoroethanol was not detected in urine. The 19F NMR spectrum of metabolite B indicates the formation of a hemiacetal of chlorodifluoroacetaldehyde. Repeated exposure of rats to HCFC-132b significantly increased both the rate of chlorodifluoroacetic acid excretion and the relative fraction of the HCFC-132b dose excreted as chlorodifluoroacetic acid in urine. Incubation of HCFC-132b with rat hepatic microsomes yielded chlorodifluoroacetaldehyde hydrate as the only fluorinated product. The in vitro metabolism of HCFC-132b was increased in microsomes from pyridine-treated rats as compared with control rats, and HCFC-132b metabolism was inhibited by p-nitrophenol, indicating that the cytochrome P-450 isoform IIE1 is largely responsible for the initial hydroxylation of HCFC-132b.

  18. Interstrand cross-linking of DNA by 1,3-bis(2-chloroethyl)-1-nitrosourea and other 1-(2-haloethyl)-1-nitrosoureas.

    PubMed

    Kohn, K W

    1977-05-01

    Bifunctional alkylating agents are known to cross-link DNA by simultaneously alkylating two guanine residues located on opposite strands. Despite this apparent requirement for bifunctionality, 1-(2-chloroethyl)-1-nitrosoureas bearing a single alkylating function were found to cross-link DNA in vitro. Cross-linking was demonstrated by showing inhibition of alkali-induced strand separation. Extensive cross-linking was observed in DNA treated with 1-(2-chloroethyl)-1-nitrosourea, 1,3-bis-(2-chloroethyl)-1-nitrosourea, and 1-(2-chloroethyl(-3-cyclohexyl-1-nitrosourea. The reaction occurs in two steps, an intital binding followed by a second step which can proceed after removal of unbound drug. It is suggested that the first step is chloroethylation of a nucleophilic site on one strand and that the second step involves displacement of Cl- by a nucleophilic site on the opposite strand, resulting in an ethyl bridge between the strands. Consistent with this possibility, 1-(2-fluoroethyl)-3-cyclohexyl-1-nitrosourea produced much less cross-linking, as expected from the known low activity of F-, compared with Cl-, as leaving group. 1-Methyl-1-nitrosourea, which is known to depurinate DNA, produced no detectable cross-linking.

  19. Anaerobic bioremediation of groundwater containing a mixture of 1,1,2,2-tetrachloroethane and chloroethenes.

    PubMed

    Aulenta, Federico; Potalivo, Monica; Majone, Mauro; Papini, Marco Petrangeli; Tandoi, Valter

    2006-06-01

    This study investigated the biotransformation pathways of 1,1,2,2-tetrachloroethane (1,1,2,2-TeCA) in the presence of chloroethenes (i.e. tetrachloroethene, PCE; trichloroethene, TCE) in anaerobic microcosms constructed with subsurface soil and groundwater from a contaminated site. When amended with yeast extract, lactate, butyrate, or H2 and acetate, 1,1,2,2-TeCA was initially dechlorinated via both hydrogenolysis to 1,1,2-trichloroethane (1,1,2-TCA) (major pathway) and dichloroelimination to dichloroethenes (DCEs) (minor pathway), with both reactions occurring under sulfidogenic conditions. In the presence of only H2, the hydrogenolysis of 1,1,2,2-TeCA to 1,1,2-TCA apparently required the presence of acetate to occur. Once formed, 1,1,2-TCA was degraded predominantly via dichloroelimination to vinyl chloride (VC). Ultimately, chloroethanes were converted to chloroethenes (mainly VC and DCEs) which persisted in the microcosms for very long periods along with PCE and TCE originally present in the groundwater. Hydrogenolysis of chloroethenes occurred only after highly reducing methanogenic conditions were established. However, substantial conversion to ethene (ETH) was observed only in microcosms amended with yeast extract (200 mg/l), suggesting that groundwater lacked some nutritional factors which were likely provided to dechlorinating microorganisms by this complex organic substrate. Bioaugmentation with an H2-utilizing PCE-dechlorinating Dehalococcoides spp. -containing culture resulted in the conversion of 1,1,2,2-TeCA, PCE and TCE to ETH and VC. No chloroethanes accumulated during degradation suggesting that 1,1,2,2-TeCA was degraded through initial dichloroelimination into DCEs and then typical hydrogenolysis into ETH and VC.

  20. 40 CFR 721.10086 - Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethane, 2-(difluoromethoxy)-1,1,1... Specific Chemical Substances § 721.10086 Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 2...

  1. E2/M1 and C2/M1 at Elsa

    NASA Astrophysics Data System (ADS)

    Gothe, R. W.

    2003-07-01

    At the ELectron Stretcher Accelerator ELSA the four momentum transfer dependence of the N to Δ transition has been investigated by measuring the \\vartheta {π }{*} and \\varphi {π }{*} angular distribution of the double differential pion production cross sections in a series of electron scattering coincidence experiments on hydrogen in the -K2-range from 0.04 GeV2 to 0.8 GeV2. The azimuthal angular dependence of the hadronic cross section is based on the polarization of the virtual photon and separates the response functions RT + ∈LRL, RLT and RTT. Whereas the individual \\vartheta {π }{*} -dependences of these response functions allow to form specific ratios, which are sensitive either to the electric transverse (E2 or E1+) or the Coulomb (C2 or S1+) quadrupole transition amplitudes. Preliminary results on the extraction of such multipole ratios have been previously reported in the NSTAR 2000 proceedings1. First results for a -K2 of 0.638 GeV2 obtained after radiative and resolution dependent corrections are described here and compared to other most recent experimental results.

  2. D2 dopaminergic and 5-HT1A serotonergic activity of 2-(1-naphthyl)ethyl- and 2-(2-naphthyl)ethyl amines.

    PubMed

    Šukalović, V; Roglić, G; Husinec, S; Kostić-Rajaćić, S; Andrić, D; Šoškić, Vukić

    2003-11-01

    Several tertiary 2-phenylethyl, 2-(1-naphthyl)ethyl and 2-(2-naphthyl)ethyl amines were synthesized and their binding affinities for dopamine D(1), D(2) and serotonin 5-HT(1A) receptors evaluated in radioligand binding assays. All compounds were inactive in D(1) dopamine radioligand binding assay. The 2-(1-naphthyl)ethyl analogues expressed a low but significant binding affinity for the D(2) and moderate one for the 5-HT(1A) receptor subtypes. Most of the remaining compounds expressed binding affinity at the 5-HT(1A) receptor subtype but were inactive in D(2) receptor binding assay. Based on these results and considering the chemical characteristics of the compounds synthesized and evaluated for dopaminergic and serotonergic activity throughout the present study it can be concluded that hydrophobic type of interaction (stacking or edge-to-face) plays a significant role in the formation of receptor-ligand complexes of 2-(1-naphthyl)ethyl amines. This structural motive can be applied to design and synthesize new, more potent dopaminergic/serotonergic ligands by slight chemical modifications.

  3. Ion chemistry of 1H-1,2,3-triazole.

    PubMed

    Ichino, Takatoshi; Andrews, Django H; Rathbone, G Jeffery; Misaizu, Fuminori; Calvi, Ryan M D; Wren, Scott W; Kato, Shuji; Bierbaum, Veronica M; Lineberger, W Carl

    2008-01-17

    A combination of experimental methods, photoelectron-imaging spectroscopy, flowing afterglow-photoelectron spectroscopy and the flowing afterglow-selected ion flow tube technique, and electronic structure calculations at the B3LYP/6-311++G(d,p) level of density functional theory (DFT) have been employed to study the mechanism of the reaction of the hydroxide ion (HO-) with 1H-1,2,3-triazole. Four different product ion species have been identified experimentally, and the DFT calculations suggest that deprotonation by HO- at all sites of the triazole takes place to yield these products. Deprotonation of 1H-1,2,3-triazole at the N1-H site gives the major product ion, the 1,2,3-triazolide ion. The 335 nm photoelectron-imaging spectrum of the ion has been measured. The electron affinity (EA) of the 1,2,3-triazolyl radical has been determined to be 3.447 +/- 0.004 eV. This EA and the gas-phase acidity of 2H-1,2,3-triazole are combined in a negative ion thermochemical cycle to determine the N-H bond dissociation energy of 2H-1,2,3-triazole to be 112.2 +/- 0.6 kcal mol-1. The 363.8 nm photoelectron spectroscopic measurements have identified the other three product ions. Deprotonation of 1H-1,2,3-triazole at the C5 position initiates fragmentation of the ring structure to yield a minor product, the ketenimine anion. Another minor product, the iminodiazomethyl anion, is generated by deprotonation of 1H-1,2,3-triazole at the C4 position, followed by N1-N2 bond fission. Formation of the other minor product, the 2H-1,2,3-triazol-4-ide ion, can be rationalized by initial deprotonation of 1H-1,2,3-triazole at the N1-H site and subsequent proton exchanges within the ion-molecule complex. The EA of the 2H-1,2,3-triazol-4-yl radical is 1.865 +/- 0.004 eV.

  4. Crystal structures of three co-crystals of 1,2-bis-(pyridin-4-yl)ethane with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1).

    PubMed

    Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki

    2015-11-01

    The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-eth-oxy-benzoic acid mol-ecule and one half-mol-ecule of 1,2-bis-(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk-oxy-benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethane mol-ecule. In each crystal, the two components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming tape structures.

  5. Impacts of Blast-Induced Traumatic Brain Injury on Expressions of Hepatic Cytochrome P450 1A2, 2B1, 2D1, and 3A2 in Rats.

    PubMed

    Ma, Jie; Wang, Junrui; Cheng, Jingmin; Xiao, Wenjing; Fan, Kaihua; Gu, Jianwen; Yu, Botao; Yin, Guangfu; Wu, Juan; Ren, Jiandong; Hou, Jun; Jiang, Yan; Tan, Yonghong; Jin, Weihua

    2017-01-01

    The hepatic cytochrome P450 (CYP450) enzyme superfamily is one of the most important drug-metabolizing enzyme systems, which is responsible for the metabolism of a large number of clinically relevant medications used in traumatic brain injury (TBI) therapy. Modification of CYP450 expression may have important influences on drug metabolism and lead to untoward effects on those with narrow therapeutic windows. However, the impact of blast-induced TBI (bTBI) on the expression of CYP450 has received little attention. The subfamilies of CYP1A, 2B, 2D, and 3A account for about 85 % of all human drug metabolism of clinical significance. Therefore, in this study, we investigated the expressions of hepatic CYP1A2, CYP2B1, CYP2D1, and CYP3A2 in rats suffering bTBI. Meanwhile, we also measured some important cytokines in serum after injury, and calculated the correlation between these cytokines and the expressions of CYP1A2, CYP2B1, CYP2D1, and CYP3A2. The results showed that bTBI could significantly reduce mRNA expressions of CYP1A2, CYP2D1, and CYP3A2 at the early stage and induce the expressions from 48 h to 1 week after injury. The protein expressions of these CYP450s had all been downregulated from 24 to 48 h post- injury, and then began to elevate at 48 h after bTBI. The cytokines, IL-1β, IL-2, IL-6, and TNF-α, increased significantly in the early phase, and began to reduce at the delayed phase of bTBI. The serum levels of IL-1β, IL-6, and TNF-α but not IL-2 were significantly negative correlated with the mRNA expressions of CYP2B1 and CYP2D1 and the proteins expressions of CYP1A2, CYP2B1, CYP2D1, and CYP3A2. In conclusion, our work has, for the first time, indicated that bTBI has significant impact on the expressions of CYP1A2, CYP2B1, CYP2D1, and CYP3A2, which may be related to the cytokines induced by the injury.

  6. Tris(1,10-phenanthroline-κ2 N,N′)iron(II) bis­(1,1-dicyano-2-eth­oxy-2-oxoethanide)

    PubMed Central

    Cai, Zhan-Mao; Zhan, Shu-Zhong

    2012-01-01

    The title compound, [Fe(C12H8N2)3](C6H5N2O2)2, consists of one [Fe(phen)3]2+ cation (phen = 1,10-phenanthroline) and two 1,1-dicyano-2-eth­oxy-2-oxoethanide anions. Five atoms of the anion are disordered over two positions [site occupancy = 0.521 (13) for the major component]. In the complex cation, the FeII atom is coordinated by six N atoms from three phen ligands in a distorted octa­hedral geometry. Two intra­molecular C—H⋯N hydrogen bonds occur in the complex cation. The crystal structure is mainly stabilized by Coulombic inter­actions. Weak intermolecular C—H⋯N inter­actions are also observed. PMID:22807778

  7. Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ2 O,O′]zinc(II) dihydrate

    PubMed Central

    Freire, Eleonora; Vega, Daniel R.

    2009-01-01

    In the title complex, [Zn(C5H9NO7P2)2(H2O)]·2H2O, the zinc atom is coordinated by two zoledronate anions [zoledronate = (2-(1-imidazole)-1-hydr­oxy-1,1′-ethyl­idenediphophonate)] and one water mol­ecule. The coordination number is 5. There is one half-mol­ecule in the asymmetric unit, the zinc atom being located on a twofold rotation axis passing through the metal centre and the coordinating water O atom. The anion exists as a zwitterion with an overall charge of −1; the protonated nitro­gen in the ring has a positive charge and the two phospho­nates groups each have a single negative charge. Inter­molecular O—H⋯O hydrogen bonds link the mol­ecules. An N—H⋯O inter­action is also present. PMID:21578165

  8. O2(b1Σg+, v = 0, 1) Relative Yield in O(1D) + O2 Energy Transfer

    NASA Astrophysics Data System (ADS)

    Kostko, O.; Raj, S.; Campbell, K. M.; Pejakovic, D. A.; Slanger, T. G.; Kalogerakis, K. S.

    2012-04-01

    Energy transfer from excited O(1D) atoms to ground-state O2(X3Σg-) leads to production of O2 in the first two vibrational levels of the O2(b1Σg+) state: O(1D) + O2 → O(3P ) + O2(b1Σg+, v = 0, 1). Subsequent radiative decay of O2(b1Σg+, v = 0, 1) to the ground state results in the Atmospheric Band emission, a prominent feature of the terrestrial airglow. The relative yield for production of O2(b1Σg+, v = 0, 1) in the above process, k1/k0, is an important parameter in modeling of the observed O2 Atmospheric Band emission intensities. In the laboratory experiments, the output of a pulsed fluorine laser at 157 nm is used to photodissociate molecular oxygen in an O2/N2 mixture flowing through a heated gas cell. Photodissociation of O2 produces a ground-state O(3P ) atom and an excited O(1D) atom. O(1D) rapidly transfers energy to the remaining O2 to produce O2(b1Σg+, v = 0, 1). The populations of O2(b1Σg+, v = 0, 1) are monitored by observing emissions in the O2(b-X) 0-0 and 1-0 bands at 762 and 688 nm, respectively. The value of k1/k0 is extracted from the time-dependent O2(b1Σg+, v = 0, 1) fluorescence signals using computer simulations. We find that production of v = 1 is substantially larger than that of v = 0. We will present measurements on k1/k0 and its temperature dependence, and discuss the significance of these and other relevant laboratory measurements on the interpretation of the O2 Atmospheric Band emission. This work was supported by the US National Science Foundation (NSF) Aeronomy Program under grant AGS-0937317. The fluorine laser was purchased under grant ATM-0216583 from the NSF Major Research Instrumentation Program. The participation of Sumana Raj and Kendrick M. Campbell was supported by a Research Experiences for Undergraduates (REU) site, co-funded by the Division of Physics of the NSF and the Department of Defense in partnership with the NSF REU program (PHY-1002892).

  9. Asymmetric nitrogen. Communications 38. Optically active 1-hydroxyl-, 1-alkoxycarbonyloxy-, and 1-tosyloxy-2, 2-bis(trifluoromethyl)-aziridines

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kostyanovskii, R.G.; Chervin, I.I.; Kadorkina, G.K.

    The authors accomplish the separation of diastereomers Xa,b and KIa,b obtained from chiral alkoxycarbonyl derivatives of hexafluoracetone oxime by reaction with CH/sub 2/N/sub 2/ through the corresponding triazolines, which were decomposed to the aziridines by photolysis or by the action of Et/sub 2/O.BF/sub 3/ at 20 C. Diasteromeric 1-alkoxycarbonyloxy-2,2-bis(trifluormethyl)ariridines, which were speated by crystallization and chromatography, under the influence of phenylhydrazine acylates give optically active 1-hydroxy-2,2-bis(trifluoromethyl)aziridine, on the basis of which optically active 1-tosyloxy-2,2-bis(trifluoromethyl)aziridine was obtained. The activation parameters of the epimerization of diasteromeric 1-alkoxycarbonyloxy-2,2-bis(trifluoromethyl)aziridine were found.

  10. Switching characteristics of (Bi 1/2Na 1/2)TiO 3-BaTiO 3-(Bi 1/2K 1/2)TiO 3 lead-free ferroelectric ceramics

    NASA Astrophysics Data System (ADS)

    Shieh, J.; Wu, K. C.; Chen, C. S.

    2007-04-01

    The polarization switching characteristics of lead-free a(Bi 1/2Na 1/2)TiO 3-bBaTiO 3-c(Bi 1/2K 1/2)TiO 3 (abbreviated as BNBK 100a/100b/100c) ferroelectric ceramics are investigated. This is achieved through examining their polarization and strain hystereses inside and outside the morphotropic phase boundary (MPB). The total induced electrostrain (ɛ 33,total) and apparent piezoelectric charge coefficient (d 33) first increase dramatically and then decrease gradually as the BNBK composition moves from the tetragonal phase to the MPB and then to the rhombohedral phase. The measured polarization hystereses indicate that the BNBK compositions situated near the rhombohedral side of the MPB typically possess higher coercive field (E c) and remanent polarization (P r), while the compositions situated near the tetragonal side of the MPB possess higher apparent permittivity. Adverse effects on the ferroelectric properties are observed when BNBK is doped with donor dopants such as La and Nb. On the contrary, intricate hysteresis behaviors are observed when acceptor dopant Mn is introduced into BNBK. Under an alternating electric field of +/-5.0 MVm -1, BNBK 85.4/2.6/12, a composition well within the MPB, exhibits an ɛ 33,total of ~0.14%, an apparent d 33 of 295 pCN -1, an E c of 2.5 MVm -1 and a Pr of 22.5 μCcm -2. These notable ferroelectric property values suggest a candidate material for lead-free actuator applications. The present study provides a systematic set of hysteresis measurements which can be used to characterize the switching behaviors of BNBK-based lead-free ferroelectrics.

  11. IRIS Toxicological Review of 1,1,2,2-Tetrachloroethane (External Review Draft)

    EPA Science Inventory

    EPA is conducting a peer review of the scientific basis supporting the human health hazard and dose-response assessment of 1,1,2,2-tetrachloroethane that will appear on the Integrated Risk Information System (IRIS) database.

  12. Microwave assisted synthesis and structure-activity relationship of 4-hydroxy-N'-[1-phenylethylidene]-2H/2-methyl-1,2-benzothiazine-3-carbohydrazide 1,1-dioxides as anti-microbial agents.

    PubMed

    Ahmad, Naveed; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Ullah, Muhammad Fasih; Parvez, Masood

    2011-06-01

    A series of 4-hydroxy-N'-[1-phenylethylidene]-2H/2-methyl, 1,2-benzothiazine-3-carbohydrazide 1,1-dioxides was synthesized from commercially available sodium saccharin. Base catalyzed ring expansion of methyl (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate followed by ultrasound mediated hydrazinolysis and subsequent reaction with 1-phenylethanones under the influence of microwaves yielded the title compounds. Besides, microwave assisted synthesis of 1,4-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-ol 5,5-dioxide and 4-methyl-1,4-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-ol 5,5-dioxide is also discussed. Most of the synthesized compounds were found to possess moderate to significant anti-microbial (anti-bacterial and anti-fungal) activities. It is found that compounds with greater lipophilicity (N-methyl analogues) possessed higher anti-bacterial activities. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

  13. Preparation of 1,1'-dinitro-3,3'-azo-1,2,4-triazole. [1,1'-dinitro-3,3'-azo-1,2,4-triazole

    DOEpatents

    Lee, K.Y.

    1985-03-05

    A new high density composition of matter, 1,1'-dinitro-3,3'-azo-1,2,4-triazole, has been synthesized using inexpensive, commonly available compounds. This compound has been found to be an explosive, and its use as a propellant is anticipated. 1 fig., 1 tab.

  14. Atomic layer deposition of quaternary chalcogenides

    DOEpatents

    Thimsen, Elijah J; Riha, Shannon C; Martinson, Alex B.F.; Elam, Jeffrey W; Pellin, Michael J

    2014-06-03

    Methods and systems are provided for synthesis and deposition of chalcogenides (including Cu.sub.2ZnSnS.sub.4). Binary compounds, such as metal sulfides, can be deposited by alternating exposures of the substrate to a metal cation precursor and a chalcogen anion precursor with purge steps between.

  15. Electromagnetic multipole moments of elementary spin-1/2, 1, and 3/2 particles

    NASA Astrophysics Data System (ADS)

    Delgado-Acosta, E. G.; Kirchbach, M.; Napsuciale, M.; Rodríguez, S.

    2012-06-01

    We study multipole decompositions of the electromagnetic currents of spin-1/2, 1, and 3/2 particles described in terms of representation-specific wave equations which are second order in the momenta and which emerge within the recently elaborated Poincaré covariant-projector method, where the respective Lagrangians explicitly depend on the Lorentz group generators of the representations of interest. The currents are then the ordinary linear Noether currents related to phase invariance, and present themselves always as two-terms motion-plus spin-magnetization currents. The spin-magnetization currents appear weighted by the gyromagnetic ratio g, a free parameter in the method which we fix either by unitarity of forward Compton scattering amplitudes in the ultraviolet for spin-1 and spin-3/2, or in the spin-1/2 case, by their asymptotic vanishing, thus ending up in all three cases with the universal g value of g=2. Within the method under discussion, we calculate the electric multipoles of the above spins for the spinor, the four-vector, and the four-vector-spinor representations, and find it favorable in some aspects, specifically in comparison with the conventional Proca and Rarita-Schwinger frameworks. We furthermore attend to the most general non-Lagrangian spin-3/2 currents, which are allowed by Lorentz invariance to be up to third order in the momenta and construct the linear-current equivalent of identical multipole moments of one of them. We conclude that nonlinear non-Lagrangian spin-3/2 currents are not necessarily more general and more advantageous than the linear spin-3/2 Lagrangian current emerging within the covariant-projector formalism. Finally, we test the representation dependence of the multipoles by placing spin-1 and spin-3/2 in the respective (1,0)⊕(0,1) and (3/2,0)⊕(0,3/2) single-spin representations. We observe representation independence of the charge monopoles and the magnetic dipoles, in contrast to the higher multipoles, which turn out

  16. Detonation properties of 1,1-diamino-2,2-dinitroethene (DADNE).

    PubMed

    Trzciński, Waldemar A; Cudziło, Stanisław; Chyłek, Zbigniew; Szymańczyk, Leszek

    2008-09-15

    1,1-Diamino-2,2-dinitroethene (DADNE, FOX-7) is an explosive of current interest. In our work, an advanced study of detonation characteristics of this explosive was performed. DADNE was prepared and recrystallized on a laboratory scale. Some sensitivity and detonation properties of DADNE were determined. The detonation performance was established by measurements of the detonation wave velocity, detonation pressure and calorimetric heat of explosion as well as the accelerating ability. The JWL (Jones-Wilkins-Lee) isentrope and the constant-gamma isentrope for the detonation products of DADNE were also found.

  17. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mancini, Alessandro; Felice, Valeria; Natali Sora, Isabella

    Chemical reactivity between cathodes and electrolytes is a crucial issue for long term SOFCs stability and performances. In this study, chemical reactivity between selected cathodic materials and the ionic conducting melilite La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25} has been extensively investigated by X-ray powder diffraction in a wide temperature range (up to 1573 K). Perovskite-type La{sub 0.8}Sr{sub 0.2}MnO{sub 3−d} and La{sub 0.8}Sr{sub 0.2}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−d} and K{sub 2}NiF{sub 4}-type La{sub 2}NiO{sub 4+d} were selected as cathode materials. The results of this study allow identifying the most suitable electrode material to be used in combination with the melilite-type gallate electrolyte andmore » set the basis for future work on this novel system. - Graphical abstract: Chemical reactivity between cathodes and electrolytes is a crucial issue for long term SOFCs stability and performances. In this study, chemical reactivity between selected cathodic materials and the ionic conducting melilite La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25} has been extensively investigated by means of X-ray powder diffraction. - Highlights: • Chemical compatibility between melilite-type gallate and cathodes for SOFCs up to 1573 K. • No reactivity observed between La{sub 0.8}Sr{sub 0.2}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−d} and La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25}. • Reactivity observed between La{sub 0.80}Sr{sub 0.20}MnO{sub 3−d} and La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25}. • Significant reactivity observed between La{sub 2}NiO{sub 4+d} and La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25}.« less

  18. New Synthesis, Structure and Analgesic Properties of Methyl 1-R-4-Methyl-2,2-Dioxo-1H-2λ⁶,1-Benzothiazine-3-Carboxylates.

    PubMed

    Azotla-Cruz, Liliana; Lijanova, Irina V; Ukrainets, Igor V; Likhanova, Natalya V; Olivares-Xometl, Octavio; Bereznyakova, Natalya L

    2017-01-12

    According to the principles of the methodology of bioisosteric replacements a series of methyl 1-R-4-methyl-2,2-dioxo-1 H -2λ⁶,1-benzothiazine-3-carboxylates has been obtained as potential analgesics. In addition, a fundamentally new strategy for the synthesis of compounds of this chemical class involving the introduction of N -alkyl substituent at the final stage in 2,1-benzothiazine nucleus already formed has been proposed. Using nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry and X-ray diffraction analysis it has been proven that in the DMSO/K₂CO₃ system the reaction of methyl 4-methyl-2,2-dioxo-1 H -2λ⁶,1-benzothiazine-3-carboxylate and alkyl halides leads to formation of N -substituted derivatives with good yields regardless of the structure of the alkylating agent. The peculiarities of NMR (¹Н and 13 С) spectra of the compounds synthesized, their mass spectrometric behavior and the spatial structure are discussed. In N -benzyl derivative the ability to form a monosolvate with methanol has been found. According to the results of the pharmacological testing conducted on the model of the thermal tail-flick it has been determined that replacement of 4-ОН-group in methyl 1-R-4-hydroxy-2,2-dioxo-1 H -2λ⁶,1-benzothiazine-3-carboxylates for the methyl group is actually bioisosteric since all methyl 1-R-4-methyl-2,2-dioxo-1 H -2λ⁶,1-benzothiazine-3-carboxylates synthesized demonstrated a statistically significant analgesic effect. The majority of the substances can inhibit the thermal pain response much more effective than piroxicam in the same dose. Under the same conditions as an analgesic the N- methyl-substituted analog exceeds not only piroxicam, but more active meloxicam as well. Therefore, it deserves in-depth biological studies on other experimental models.

  19. Involvement of IGF-1 and MEOX2 in PI3K/Akt1/2 and ERK1/2 pathways mediated proliferation and differentiation of perivascular adipocytes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Ping, E-mail: lping@sdu.edu.cn; Kong, Feng; Wang, Jue

    Perivascular adipocyte (PVAC) proliferation and differentiation were closely involved in cardiovascular disease. We aimed to investigate whether phosphatidylinositol 3-kinase (PI3K) and mitogen-activated protein kinase (MAPK) signaling pathways enhance PVAC functions activated by insulin-like growth factor 1(IGF-1) and suppressed by mesenchyme homeobox 2 (MEOX2). In this study, PVACs from primary culture were cultured and induced to differentiate. Cell viability assays demonstrated that IGF-1 promoted PVAC proliferation and differentiation. However MEOX2 counteracted these IGF-1-mediated actions. Flow Cytometry revealed that IGF-1 increased S phase cells and decreased apoptosis; however, MEOX2 decreased S phase cells, increased G0–G1 phase cells, and promoted apoptosis. During PVACmore » proliferation and differentiation, IGF-1 activated PI3K/Akt1/2 and ERK1/2 signaling pathways, upregulated the expression of these signaling proteins and FAS, and increased PVAC lipid content. In contrast, MEOX2 constrained the phosphorylation of ERK1/2 and Akt1/2 protein, down-regulated these signaling molecules and FAS, and decreased PVAC lipid content. Instead, MEOX2 knockdown enhanced the ERK1/2 and Akt1/2 phosphorylation, augmented the expression of these signaling molecules and FAS, and increased PVAC lipid content. Our findings suggested that PI3K/Akt1/2 and ERK1/2 activation mediated by IGF-1 is essential for PVAC proliferation and differentiation, and MEOX2 is a promising therapeutic gene to intervene in the signaling pathways and inhibit PVAC functions. - Highlights: • IGF-1 activated PI3K/Akt2 and ERK1/2 pathways to mediate PVAC proliferation and differentiation. • The expression of ERK1, ERK 2, PI3K, Akt1 and Akt2 showed different change trends between PVAC proliferation and differentiation. • MEOX2 effectively expressed in PVAC, increased early and late cellular apoptosis, and inhibited its proliferation. • MEOX2 depressed PVAC differentiation and FAS

  20. 40 CFR 721.5358 - 2-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs. hydrogen sulfates. 721.5358 Section 721.5358...-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs. hydrogen.... hydrogen sulfates (PMN P-99-928; CAS No. 222975-06-6) is subject to reporting under this section for the...

  1. 40 CFR 721.5358 - 2-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14- alkyloxy) ethoxy] derivs...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-, compds. with ethanol 2-[2-(C12-14- alkyloxy) ethoxy] derivs. hydrogen sulfates. 721.5358 Section 721.5358...-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14- alkyloxy) ethoxy] derivs. hydrogen.... hydrogen sulfates (PMN P-99-928; CAS No. 222975-06-6) is subject to reporting under this section for the...

  2. 40 CFR 721.5358 - 2-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs. hydrogen sulfates. 721.5358 Section 721.5358...-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs. hydrogen.... hydrogen sulfates (PMN P-99-928; CAS No. 222975-06-6) is subject to reporting under this section for the...

  3. 40 CFR 721.5358 - 2-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs. hydrogen sulfates. 721.5358 Section 721.5358...-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy) ethoxy] derivs. hydrogen.... hydrogen sulfates (PMN P-99-928; CAS No. 222975-06-6) is subject to reporting under this section for the...

  4. 40 CFR 721.5358 - 2-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14- alkyloxy) ethoxy] derivs...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-, compds. with ethanol 2-[2-(C12-14- alkyloxy) ethoxy] derivs. hydrogen sulfates. 721.5358 Section 721.5358...-propanol, 1,1′,1′-nitrilotris-, compds. with ethanol 2-[2-(C12-14- alkyloxy) ethoxy] derivs. hydrogen.... hydrogen sulfates (PMN P-99-928; CAS No. 222975-06-6) is subject to reporting under this section for the...

  5. 1,2-Hydroxypyridonates as Contrast Agents for Magnetic ResonanceImaging: TREN-1,2-HOPO

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jocher, Christoph J.; Moore, Evan G.; Xu, Jide

    2007-05-08

    1,2-Hydroxypyridinones (1,2-HOPO) form very stable lanthanide complexes that may be useful as contrast agents for Magnetic Resonance Imaging (MRI). X-ray diffraction of single crystals established that the solid state structures of the Eu(III) and the previously reported [Inorg. Chem. 2004, 43, 5452] Gd(III) complex are identical. The recently discovered sensitizing properties of 1,2-HOPO chelates for Eu(III) luminescence allow direct measurement of the number if water molecules in the metal complex. Fluorescence measurements of the Eu(III) complex corroborate that in solution two water molecules coordinate the lanthanide (q = 2) as proposed from the analysis of NMRD profiles. In addition, fluorescencemore » measurements have verified the anion binding interactions of lanthanide TREN-1,2-HOPO complexes in solution, studied by relaxivity, revealing only very weak oxalate binding (K{sub A} = 82.7 {+-} 6.5 M{sup -1}). Solution thermodynamic studies of the metal complex and free ligand have been carried out using potentiometry, spectrophotometry and fluorescence spectroscopy. The metal ion selectivity of TREN-1,2-HOPO supports the feasibility of using 1,2-HOPO ligands for selective lanthanide binding [pGd = 19.3 (2); pZn = 15.2 (2), pCa = 8.8 (3)].« less

  6. Identification of drugs and drug metabolites as substrates of multidrug resistance protein 2 (MRP2) using triple-transfected MDCK-OATP1B1-UGT1A1-MRP2 cells

    PubMed Central

    Fahrmayr, C; König, J; Auge, D; Mieth, M; Fromm, MF

    2012-01-01

    BACKGROUND AND PURPOSE The coordinate activity of hepatic uptake transporters [e.g. organic anion transporting polypeptide 1B1 (OATP1B1)], drug-metabolizing enzymes [e.g. UDP-glucuronosyltransferase 1A1 (UGT1A1)] and efflux pumps (e.g. MRP2) is a crucial determinant of drug disposition. However, limited data are available on transport of drugs (e.g. ezetimibe, etoposide) and their glucuronidated metabolites by human MRP2 in intact cell systems. EXPERIMENTAL APPROACH Using monolayers of newly established triple-transfected MDCK-OATP1B1-UGT1A1-MRP2 cells as well as MDCK control cells, single- (OATP1B1) and double-transfected (OATP1B1-UGT1A1, OATP1B1-MRP2) MDCK cells, we therefore studied intracellular concentrations and transcellular transport after administration of ezetimibe or etoposide to the basal compartment. KEY RESULTS Intracellular accumulation of ezetimibe was significantly lower in MDCK-OATP1B1-UGT1A1-MRP2 triple-transfected cells compared with all other cell lines. Considerably higher amounts of ezetimibe glucuronide were found in the apical compartment of MDCK-OATP1B1-UGT1A1-MRP2 monolayers compared with all other cell lines. Using HEK cells, etoposide was identified as a substrate of OATP1B1. Intracellular concentrations of etoposide equivalents (i.e. parent compound plus metabolites) were affected only to a minor extent by the absence or presence of OATP1B1/UGT1A1/MRP2. In contrast, apical accumulation of etoposide equivalents was significantly higher in monolayers of both cell lines expressing MRP2 (MDCK-OATP1B1-MRP2, MDCK-OATP1B1-UGT1A1-MRP2) compared with the single-transfected (OATP1B1) and the control cell line. CONCLUSIONS AND IMPLICATIONS Ezetimibe glucuronide is a substrate of human MRP2. Moreover, etoposide and possibly also its glucuronide are substrates of MRP2. These data demonstrate the functional interplay between transporter-mediated uptake, phase II metabolism and export by hepatic proteins involved in drug disposition. PMID:21923755

  7. Phylodynamics of avian influenza clade 2.2.1 H5N1 viruses in Egypt.

    PubMed

    Arafa, Abdelsatar; El-Masry, Ihab; Kholosy, Shereen; Hassan, Mohammed K; Dauphin, Gwenaelle; Lubroth, Juan; Makonnen, Yilma J

    2016-03-22

    Highly pathogenic avian influenza (HPAI) viruses of the H5N1 subtype are widely distributed within poultry populations in Egypt and have caused multiple human infections. Linking the epidemiological and sequence data is important to understand the transmission, persistence and evolution of the virus. This work describes the phylogenetic dynamics of H5N1 based on molecular characterization of the hemagglutinin (HA) gene of isolates collected from February 2006 to May 2014. Full-length HA sequences of 368 H5N1 viruses were generated and were genetically analysed to study their genetic evolution. They were collected from different poultry species, production sectors, and geographic locations in Egypt. The Bayesian Markov Chain Monte Carlo (BMCMC) method was applied to estimate the evolutionary rates among different virus clusters; additionally, an analysis of selection pressures in the HA gene was performed using the Single Likelihood Ancestor Counting (SLAC) method. The phylogenetic analysis of the H5 gene from 2006-14 indicated the presence of one virus introduction of the classic clade (2.2.1) from which two main subgroups were originated, the variant subgroup which was further subdivided into 2 sub-divisions (2.2.1.1 and 2.2.1.1a) and the endemic subgroup (2.2.1.2). The clade 2.2.1.2 showed a high evolution rate over a period of 6 years (6.9 × 10(-3) sub/site/year) in comparison to the 2.2.1.1a variant cluster (7.2 × 10(-3) over a period of 4 years). Those two clusters are under positive selection as they possess 5 distinct positively selected sites in the HA gene. The mutations at 120, 154, and 162 HA antigenic sites and the other two mutations (129∆, I151T) that occurred from 2009-14 were found to be stable in the 2.2.1.2 clade. Additionally, 13 groups of H5N1 HPAI viruses were identified based on their amino acid sequences at the cleavage site and "EKRRKKR" became the dominant pattern beginning in 2013. Continuous evolution of H5N1 HPAI viruses in Egypt has

  8. Measurement of the radiative decay and energy of the metastable $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{(J=0)}$$ level in Fe XVII

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Beiersdorfer, P.; Lopez-Urrutia, J. R. Crespo; Trabert, E.

    Measurements at the Livermore electron beam ion trap have been performed in order to infer the energy and the radiative lifetime of themore » $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level in the Fe xvii spectrum. This is the longest-lived level in the neonlike iron ion, and its radiative decay produces the Fe xvii line at 1153 Å, feeding the population of the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$ upper level of one of the most prominent lines in the Fe xvii L-shell X-ray spectrum, commonly dubbed $3G$. In the presence of a strong ($$\\geqslant $$ few kG) magnetic field, the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level has a finite probability to decay directly to the $${(1{s}^{2}2{s}^{2}2{p}^{6})}_{J=0}$$ neonlike ground level via the emission of an L-shell X-ray. Our measurements allow us to observe this X-ray line in the Fe xvii L-shell spectrum and from it to infer the radiative rate for the magnetic dipole decay of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level to the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$. Our result of $$(1.45\\pm 0.15)\\times {10}^{4}$$ s-1 is in agreement with predictions. We have also measured the wavelength of the associated X-ray line to be 16.804 ± 0.002 Å, which means that the line is displaced 1.20 ± 0.05 eV from the neighboring $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=1}\\to {(2{s}^{2}2{p}^{6})}_{J=0}$$ transition, commonly labeled $3F$. Furthermore, from our measurement, we infer 5950570 ± 710 cm-1 for the energy of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level.« less

  9. Measurement of the radiative decay and energy of the metastable $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{(J=0)}$$ level in Fe XVII

    DOE PAGES

    Beiersdorfer, P.; Lopez-Urrutia, J. R. Crespo; Trabert, E.

    2016-01-20

    Measurements at the Livermore electron beam ion trap have been performed in order to infer the energy and the radiative lifetime of themore » $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level in the Fe xvii spectrum. This is the longest-lived level in the neonlike iron ion, and its radiative decay produces the Fe xvii line at 1153 Å, feeding the population of the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$ upper level of one of the most prominent lines in the Fe xvii L-shell X-ray spectrum, commonly dubbed $3G$. In the presence of a strong ($$\\geqslant $$ few kG) magnetic field, the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level has a finite probability to decay directly to the $${(1{s}^{2}2{s}^{2}2{p}^{6})}_{J=0}$$ neonlike ground level via the emission of an L-shell X-ray. Our measurements allow us to observe this X-ray line in the Fe xvii L-shell spectrum and from it to infer the radiative rate for the magnetic dipole decay of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level to the $${(1{s}^{2}2{s}^{2}2{p}_{3/2}^{5}3{s}_{1/2})}_{J=1}$$. Our result of $$(1.45\\pm 0.15)\\times {10}^{4}$$ s-1 is in agreement with predictions. We have also measured the wavelength of the associated X-ray line to be 16.804 ± 0.002 Å, which means that the line is displaced 1.20 ± 0.05 eV from the neighboring $${(2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=1}\\to {(2{s}^{2}2{p}^{6})}_{J=0}$$ transition, commonly labeled $3F$. Furthermore, from our measurement, we infer 5950570 ± 710 cm-1 for the energy of the $${(1{s}^{2}2{s}^{2}2{p}_{1/2}^{5}3{s}_{1/2})}_{J=0}$$ level.« less

  10. Screening for BRCA1, BRCA2, CHEK2, PALB2, BRIP1, RAD50, and CDH1 mutations in high-risk Finnish BRCA1/2-founder mutation-negative breast and/or ovarian cancer individuals.

    PubMed

    Kuusisto, Kirsi M; Bebel, Aleksandra; Vihinen, Mauno; Schleutker, Johanna; Sallinen, Satu-Leena

    2011-02-28

    Two major high-penetrance breast cancer genes, BRCA1 and BRCA2, are responsible for approximately 20% of hereditary breast cancer (HBC) cases in Finland. Additionally, rare mutations in several other genes that interact with BRCA1 and BRCA2 increase the risk of HBC. Still, a majority of HBC cases remain unexplained which is challenging for genetic counseling. We aimed to analyze additional mutations in HBC-associated genes and to define the sensitivity of our current BRCA1/2 mutation analysis protocol used in genetic counseling. Eighty-two well-characterized, high-risk hereditary breast and/or ovarian cancer (HBOC) BRCA1/2-founder mutation-negative Finnish individuals, were screened for germline alterations in seven breast cancer susceptibility genes, BRCA1, BRCA2, CHEK2, PALB2, BRIP1, RAD50, and CDH1. BRCA1/2 were analyzed by multiplex ligation-dependent probe amplification (MLPA) and direct sequencing. CHEK2 was analyzed by the high resolution melt (HRM) method and PALB2, RAD50, BRIP1 and CDH1 were analyzed by direct sequencing. Carrier frequencies between 82 (HBOC) BRCA1/2-founder mutation-negative Finnish individuals and 384 healthy Finnish population controls were compared by using Fisher's exact test. In silico prediction for novel missense variants effects was carried out by using Pathogenic-Or-Not -Pipeline (PON-P). Three previously reported breast cancer-associated variants, BRCA1 c.5095C > T, CHEK2 c.470T > C, and CHEK2 c.1100delC, were observed in eleven (13.4%) individuals. Ten of these individuals (12.2%) had CHEK2 variants, c.470T > C and/or c.1100delC. Fourteen novel sequence alterations and nine individuals with more than one non-synonymous variant were identified. One of the novel variants, BRCA2 c.72A > T (Leu24Phe) was predicted to be likely pathogenic in silico. No large genomic rearrangements were detected in BRCA1/2 by multiplex ligation-dependent probe amplification (MLPA). In this study, mutations in previously known breast cancer

  11. 40 CFR 721.3248 - Ethane, 1,2,2- trichlorodifluoro-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethane, 1,2,2- trichlorodifluoro-. 721... Substances § 721.3248 Ethane, 1,2,2- trichlorodifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 1,2,2-trichlorodifluoro- (CAS No...

  12. Observation of the Hadronic transitions chi(b1,2)(2P)-->omegaUpsilon(1S).

    PubMed

    Cronin-Hennessy, D; Park, C S; Park, W; Thayer, J B; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R; Artuso, M; Boulahouache, C; Blusk, S; Dambasuren, E; Dorjkhaidav, O; Mountain, R; Muramatsu, H; Nandakumar, R; Skwarnicki, T; Stone, S; Wang, J C; Mahmood, A H; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Bornheim, A; Lipeles, E; Pappas, S P; Shapiro, A; Sun, W M; Weinstein, A J; Briere, R A; Chen, G P; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Adam, N E; Alexander, J P; Berkelman, K; Boisvert, V; Cassel, D G; Duboscq, J E; Ecklund, K M; Ehrlich, R; Galik, R S; Gibbons, L; Gittelman, B; Gray, S W; Hartill, D L; Heltsley, B K; Hsu, L; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Magerkurth, A; Mahlke-Krüger, H; Meyer, T O; Mistry, N B; Patterson, J R; Pedlar, T K; Peterson, D; Pivarski, J; Richichi, S J; Riley, D; Sadoff, A J; Schwarthoff, H; Shepherd, M R; Thayer, J G; Urner, D; Wilksen, T; Warburton, A; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Potlia, V; Stoeck, H; Yelton, J; Eisenstein, B I; Gollin, G D; Karliner, I; Lowrey, N; Plager, C; Sedlack, C; Selen, M; Thaler, J J; Williams, J; Edwards, K W; Besson, D; Gao, K Y; Gong, D T; Kubota, Y; Li, S Z; Poling, R; Scott, A W; Smith, A; Stepaniak, C J; Urheim, J; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Arms, K; Eckhart, E; Gan, K K; Gwon, C; Severini, H; Skubic, P; Dytman, S A; Mueller, J A; Nam, S; Savinov, V; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shibata, E I; Shipsey, I P J; Danko, I

    2004-06-04

    The CLEO Collaboration has made the first observations of hadronic transitions among bottomonium (bbmacr;) states other than the dipion transitions among Upsilon(nS) states. In our study of Upsilon(3S) decays, we find a significant signal for Upsilon(3S)-->gammaomegaUpsilon(1S) that is consistent with radiative decays Upsilon(3S)-->gammachi(b1,2)(2P), followed by chi(b1,2)(2P)-->omegaUpsilon(1S). The branching ratios we obtain are B[chi(b1)(2P)-->omegaUpsilon(1S)]=(1.63(+0.35+0.16)(-0.31-0.15))% and B[chi(b2)(2P)-->omegaUpsilon(1S)]=(1.10(+0.32+0.11)(-0.28-0.10))%, in which the first error is statistical and the second is systematic.

  13. 40 CFR 721.9795 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[(4,6-dichloro-1,3,5-triazin-2-yl) amino...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, disodium salt... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Benzenesulfonic acid, 2,2â²-(1,2-ethenediyl)bis[(4,6-dichloro-1,3,5-triazin-2-yl) amino]-, disodium salt, substituted with dialkyl amines...

  14. 40 CFR 721.9795 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[(4,6-dichloro-1,3,5-triazin-2-yl) amino...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, disodium salt... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzenesulfonic acid, 2,2â²-(1,2-ethenediyl)bis[(4,6-dichloro-1,3,5-triazin-2-yl) amino]-, disodium salt, substituted with dialkyl amines...

  15. 40 CFR 721.8965 - 1H-Pyrole-2, 5-dione, 1-(2,4,6-tribromophenyl)-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1H-Pyrole-2, 5-dione, 1-(2,4,6... Specific Chemical Substances § 721.8965 1H-Pyrole-2, 5-dione, 1-(2,4,6-tribromophenyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1H-pyrole...

  16. 40 CFR 721.10092 - Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[[1-[(2-propen-1-yloxy)methyl]undecyl]oxy...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[[1-[(2-propen-1-yloxy)methyl]undecyl]oxy]-, ammonium salt (1:1); Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[[1-[(2-propen-1-yloxy)methyl]tridecyl]oxy]-, ammonium salt (1:1). 721.10092 Section 721.10092 Protection of Environment...

  17. 49 CFR 172.522 - EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3... INFORMATION, TRAINING REQUIREMENTS, AND SECURITY PLANS Placarding § 172.522 EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards. (a) Except for size and color, the EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3...

  18. 49 CFR 172.522 - EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 2 2011-10-01 2011-10-01 false EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3... INFORMATION, TRAINING REQUIREMENTS, AND SECURITY PLANS Placarding § 172.522 EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3 placards. (a) Except for size and color, the EXPLOSIVES 1.1, EXPLOSIVES 1.2 and EXPLOSIVES 1.3...

  19. cis-1,2-Dichloroethylene

    Integrated Risk Information System (IRIS)

    EPA / 635 / R - 09 / 006 F www.epa.gov / iris TOXICOLOGICAL REVIEW OF cis - 1,2 - DICHLOROETHYLENE and trans - 1,2 - DICHLOROETHYLENE ( CAS Nos . cis : 156 - 59 - 2 ; trans : 156 - 60 - 5 ; mixture : 540 - 59 - 0 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS )

  20. 40 CFR 721.10092 - Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[[1-[(2-propen-1-yloxy)methyl]undecyl]oxy...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Poly(oxy-1,2-ethanediyl), .alpha...), .alpha.-sulfo-.omega.-[[1-[(2-propen-1-yloxy)methyl]tridecyl]oxy]-, ammonium salt (1:1). 721.10092... Substances § 721.10092 Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[[1-[(2-propen-1-yloxy)methyl]undecyl...