Dimerization of A-[alpha]-[SiNb3W9O40]7- by pH-controlled formation of individual Nb−µ-O−Nb linkages

Science.gov (United States)

Gyu-Shik Kim; Huadong Zeng; Wade A. Neiwert; Jennifer J. Cowan; Donald VanDerveer; Craig L. Hill; Ira A. Weinstock

2003-01-01

The reversible, stepwise formation of individual Nb−µ-O−Nb linkages during acid condensation of 2 equiv of A-[alpha]-[SiNb3W9O40]7- (1) to the tri-µ-oxo-bridged structure A-[alpha]-[Si2Nb6W18O77]8- (4) is demonstrated by a combination of X-ray crystallography and variable-pD solution 183W and 29Si NMR spectroscopy. Addition of DCl to a pD 8.4...

Rapid Synthesis and Formation Mechanism of Core-Shell-Structured La-Doped SrTiO3 with a Nb-Doped Shell

Directory of Open Access Journals (Sweden)

Nam-Hee Park

2015-07-01

Full Text Available To provide a convenient and practical synthesis process for metal ion doping on the surface of nanoparticles in an assembled nanostructure, core-shell-structured La-doped SrTiO3 nanocubes with a Nb-doped surface layer were synthesized via a rapid synthesis combining a rapid sol-precipitation and hydrothermal process. The La-doped SrTiO3 nanocubes were formed at room temperature by a rapid dissolution of NaOH pellets during the rapid sol-precipitation process, and the Nb-doped surface (shell along with Nb-rich edges formed on the core nanocubes via the hydrothermal process. The formation mechanism of the core-shell-structured nanocubes and their shape evolution as a function of the Nb doping level were investigated. The synthesized core-shell-structured nanocubes could be arranged face-to-face on a SiO2/Si substrate by a slow evaporation process, and this nanostructured 10 μm thick thin film showed a smooth surface.

A study on the redox, spectroscopic, and photophysical characteristics of a series of octahedral hexamolybdenum(ii) clusters: [{Mo6X8}Y6]2- (X, Y = Cl, Br, or I).

Science.gov (United States)

Akagi, Soichiro; Fujii, Sho; Kitamura, Noboru

2018-01-23

We report a systematic study on the redox, spectroscopic, and photophysical properties of a series of [{Mo 6 X 8 }Y 6 ] 2- (X, Y = Cl, Br, or I. 1-9). All of the [{Mo 6 X 8 }Y 6 ] 2- clusters show intense and long-lived phosphorescence in both CH 3 CN and crystalline phases at 298 K. We found that the emission quantum yields (Φ em ) of 1-9 increase in the sequences X = Cl Br Br Br < Cl for given {Mo 6 X 8 } 4+ -core clusters. The present data demonstrate that arbitrary combinations of X and Y in [{Mo 6 X 8 }Y 6 ] 2- could tune τ em and Φ em in the ranges of 85-300 μs and 0.09-0.47, respectively. Both capping (X) and terminal ligand (Y) effects on the photophysical properties of the clusters are discussed on the basis of the energy gap (i.e., emission energy) dependence of the nonradiative decay rate constant.

Crystal structures and electronic properties of UTixNb3-xO10 (x=0,1/3,1) and of the intercalation compound Li0.9UTiNb2O10

International Nuclear Information System (INIS)

Dickens, P.G.; Flynn, G.J.; Patat, S.; Stuttart, G.P.

1997-01-01

Complete crystal structures of the related phases UTi x Nb 3-x O 10 (x=0,1/3,1) and of the intercalation compound Li 0.9 UTiNb 2 O 10 have been determined by Rietveld analysis of room-temperature powder neutron diffraction data. The new structural data combined with magnetic susceptibility measurements made in the range 5 y 1 U V 1+y-x U VI x-y Ti IV x Nb V 3-x O 10 (y≤ x ≤1) with U V (f 1 ) being the only paramagnetic species present. (Author)

Structure of TeO2 - LiNbO3 glasses

Science.gov (United States)

Shinde, A. B.; Krishna, P. S. R.; Rao, Rekha

2017-05-01

Tellurite based lithium niobate glasses with composition (100-x)TeO2-xLiNbO3 (x=0.1,0.2 & 0.3) were prepared by conventional melt quenching method. The microscopic structural investigation of these glasses is carried out by means of neutron diffraction and Raman scattering measurements. It is found that the basic structural units in these glasses are TeO4 trigonal bipyramids(TBP), TeO3 trigonal pyramids(TP) and NbO6 Octahedra depending on the composition. It is evident from Raman studies that TBPs decreases, TPs increases and NbO6 Octahedra increases with increasing x. From Neutron diffraction studies it is found that network is comprised of TBPs and TPs along with TeO3+1 structural units. Distorted NbO6 octahedral units are present and also increase with the increase in x.

Synthesis, crystal structure, and ionic conductivity of novel Ruddlesden-Popper related phases, Li4Sr3Nb5.77Fe0.23O19.77 and Li4Sr3Nb6O20

International Nuclear Information System (INIS)

Bhuvanesh, N.S.P.; Crosnier-Lopez, M.P.; Bohnke, O.; Emery, J.; Fourquet, J.L.

1999-01-01

The authors have synthesized two new lithium-containing oxides which are related to Ruddlesden-Popper phases, Li 4 Sr 3 Nb 5.77 Fe 0.23 O 19.77 and Li 4 Sr 3 Nb 6 O 20 , with partial occupancy of the 12-coordinated sites by Sr, for the first time by direct solid-state reaction. While the single crystal and powder X-ray diffraction data indicate that these oxides crystallize in tetragonal cells (space group I4/mmm; a = 3.9585(2) angstrom, c = 25.915(3) angstrom and a = 3.953(2) angstrom, c = 26.041(5) angstrom for the respective oxides), the electron diffraction of some of the crystallites shows supercell reflections with a ∼ √2a p , c ∼ 25.9 angstrom, probably indicating a twisting of the NbO 6 octahedra in the ab-plane. Although, these oxides show no significant lithium ionic conduction at room temperature, they show distinct conductivity values at elevated temperatures

Crystal structure, quantum mechanical investigation, IR and NMR spectroscopy of two new organic perchlorates: (C6H18N3)·(ClO4)3H2O (I) and (C9H11N2)·ClO4(II)

Science.gov (United States)

Bayar, I.; Khedhiri, L.; Soudani, S.; Lefebvre, F.; Ferretti, V.; Ben Nasr, C.

2018-06-01

The reaction of perchloric acid with 1-(2-aminoethyl)piperazine or 5,6-dimethyl-benzimidazole results in the formation of 1-(2-amonioethyl)piperazine-1,4-dium triperchlorate hydrate (C6H18N3)·(ClO4)3·H2O (I) or 5,6-dimethyl-benzylimidazolium perchlorate (C9H11N2)·ClO4(II). Both compounds were fully structurally characterized including single crystal X-ray diffraction analysis. Compound (I) crystallizes in the centrosymmetric triclinic space group P 1 bar with the lattice parameters a = 7.455 (2), b = 10.462 (2), c = 10.824 (2) Å, α = 80.832 (2), β = 88.243 (2), γ = 88.160 (2) °, Z = 2 and V = 832.77 (3) Å3. Compound (II) has been found to belong to the P21/c space group of the monoclinic system, with a = 7.590 (3), b = 9.266 (3), c = 16.503 (6) Å, β = 107.38 (2) °, V = 1107.69 (7) Å3 and Z = 4. The structures of (I) and (II) consist of slightly distorted [ClO4]- tetrahedra anions and 1-(2-amonioethyl)piperazine-1,4-dium trication (I) or 5,6-dimethyl-benzylimidazolium cations (II) and additionally a lattice water in (I). The crystal structures of (I) and (II) exhibit complex three-dimensional networks of H-bonds connecting all their components. In the atomic arrangement of (I), the ClO4- anions form corrugated chains, while in (II) the atomic arrangement exhibits wide pseudo-hexagonal channels of ClO4 tetrahedra including the organic entities. The lattice water serves as a link between pairs of cations and pairs of anions via several Osbnd H⋯O and N-H⋯O interactions in compound (I). The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid-state 13C, 35Cl and 15N NMR spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived.

Compounds of the type Ba/sub 3/Bsup(II)M/sub 2/sup(V)O/sub 9/ with Bsup(II) = Mg, Ca, Sr, Ba, and Msup(V) = Nb, Ta

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Thumm, I; Herrmann, M [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-08-01

The hexagonal perovskites Ba/sub 3/Bsup(II)M/sub 2/sup(V)O/sub 9/ (Msup(V) = Nb, Ta) crystallize with Bsup(II) = Mg, Ca in a 3 L structure (sequence (c)/sub 3/) and Bsup(II) = Sr in the hexagonal BaTiO/sub 3/ type (6 L; sequence (hcc)/sub 2/) with an 1:2 order for the B and M ions. Intensity calculations for Ba/sub 3/SrNb/sub 2/O/sub 9/ and Ba/sub 3/SrTa/sub 2/O/sub 9/ gave in the space group P6/sub 3//mmc a refined, intensity related R' value of 8.4% (Nb) and 9.0% (Ta) respectively. For Bsup(II) = Ba the perovskite Ba/sub 3/BaTa/sub 2/O/sub 9/ has an orthorhombic distorted 6 L structure and forms with Ba/sub 3/SrTa/sub 2/O/sub 9/ a continuous series of mixed crystals (Ba/sub 3/Srsub(1-x)Basub(x)Ta/sub 2/O/sub 9/). In the system Ba/sub 3/Srsub(1-x)Basub(x)Nb/sub 2/O/sub 9/ the range of existence of the hexagonal BaTiO/sub 3/ type is confined to the Sr richer end. The pure Ba compound posesses a proper structure type (5 L: Ba/sub 5/BaNb/sub 3/vacantOsub(13.5)vacantsub(1.5)).

Effects of Y{sub 2}O{sub 3}/CeO{sub 2} co-doping on microwave dielectric properties of Ba(Co{sub 0.6}Zn{sub 38}){sub 1/3}Nb{sub 2/3}O{sub 3} ceramics

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yuqin; Zhou, Xiaohua, E-mail: 1250590698@qq.com; Yang, Xinshi; Sun, Chengli; Yang, Fan; Chen, Hetuo

2016-09-15

The effects of CeO{sub 2}/Y{sub 2}O{sub 3} co-doping on the microstructure and microwave dielectric properties of Ba(Co{sub 0.6}Zn{sub 0.38}){sub 1/3}Nb{sub 2/3}O{sub 3}-xA-xB (x = 0,1,2,3,4,6; A = 0.1204 wt%Y{sub 2}O{sub 3}; B = 0.1 wt%CeO{sub 2}) ceramics prepared by the conventional solid-state route technique were investigated. The X-ray diffraction (XRD) results presented that all the well sintered samples exhibited the main phase BaZn{sub 0.33}Nb{sub 0.67}O{sub 3}−Ba{sub 3}CoNb{sub 2}O{sub 9}. A certain amount of Ba{sub 8}CoNb{sub 6}O{sub 24} surface secondary phase and minority phase of Ba{sub 5}Nb{sub 4}O{sub 15} were also observed in all sintered ceramics. The 1:2 B-site cation ordering degree was found to influenced by the substitution of Y{sup 3+} and Ce{sup 4+} in the crystal lattice, especially for x = 0.02. Then the scanning electron microscopy (SEM) picture of the optimally well-sintered (1350 °C for 20 h) ceramic has shown a dense microstructure. Although the ε{sub r} almost kept unchanged, appropriate doping content would greatly improve the Q × f value. Meanwhile, the τ{sub f} value first declined and then increased with increasing x. At last, the excellent microwave dielectric properties of ε{sub r} = 36.09, Q × f = 72006 GHz, τ{sub f} = 3.35 ppm/ºC were obtained for the ceramic with x = 0.02 sintered in air at 1350 °C for 20 h. - Graphical abstract: Fig. SEM images of as-sintered Ba(Co{sub 0.6}Zn{sub 0.38}){sub 1/3}Nb{sub 2/3}O{sub 3}-xA-Xb (A = 0.1204 wt%Y{sub 2}O{sub 3}; B = 0.1 wt%CeO{sub 2)}ceramics: (a) x = 0,(b) x = 0.01,(c) x = 0.02,(d) x = 0.03, (e) x = 0.04,(f) x = 0.06. The images confirmed the presences of two phases on the surface of the ceramics, plate-shaped grains (Ba{sub 8}(C{sub O},Zn){sub 1}Nb{sub 6}O{sub 24}phase) and needle-shaped grains (Ba{sub 3}(Co{sub 0.6}Zn{sub 0.38}){sub 1}Nb{sub 2}O{sub 9} phase). As a small content of CeO{sub 2}/Y{sub 2}O{sub 3} (x = 0.01–0.04) was codoped into the BCZN ceramics, the

Understanding cation ordering and oxygen vacancy site preference in Ba3CaNb2O9 from first-principles

Science.gov (United States)

Ding, Hepeng; Virkar, Anil; Liu, Feng

2014-03-01

We investigate the physical mechanism underlying the formation of the B-site cation ordering and the oxygen vacancy site selection in Ba3CaNb2O9 using density functional theory calculations. We found that either cation site exchange or oxygen vacancy formation induces negligible lattice strain. This implies that the ionic radius plays an insignificant role in governing these two processes. Furthermore, the electrostatic interactions are found dominant in the ordering of mixed valence species on one or more sites, the ionic bond strength is identified as the dominant force in governing both the 1:2 B-site cation ordering along the direction and the oxygen vacancy site preference in Ba3CaNb2O9. Specifically, the cation ordering can be rationalized by the increased mixing bonding energy of the Ca-O-Nb bonds over the Ca-O-Ca and Nb-O-Nb bonds, i.e., 1/2(Ca-O-Ca + Nb-O-Nb) Grant Number DE-SC0001061 as a flow through from the University of South Carolina.

Nb/sub 2/Te/sub 2/O/sub 9/ and Ta/sub 2/Te/sub 2/O/sub 9/: Two new mixed oxides of Te(IV)

International Nuclear Information System (INIS)

Gaitan, M.; Jerez, A.; Pico, C.; Veiga, M.L.

1987-01-01

Nb/sub 2/Te/sub 2/O/sub 9/ and Ta/sub 2/Te/sub 2/O/sub 9/ were prepared by solid state reactions between amorphous TeO/sub 3/(s) and metallic pentoxides of Nb and Ta. A crystallographic analysis carried out by X-ray diffraction showed that these compounds are isostructural (space group: P2/sub 1//C. a = 6.883 A, b = 7.853 A, c = 14.591 A, β = 103.66 for Nb/sub 2/Te/sub 2/O/sub 9/ and a = 7.10 A, b = 7.48 A, c = 14.62 A, β = 102.9 for Ta/sub 2/Te/sub 2/O/sub 9/). The IR spectra and thermal decomposition processes of both mixed oxides were studied

Crystal growth, optical properties, and continuous-wave laser operation of Nd3+-doped CaNb2O6 crystal

International Nuclear Information System (INIS)

Cheng, Y; Xu, X D; Xiao, X D; Li, D Z; Zhao, C C; Zhou, S M; Xin, Z; Yang, X B; Xu, J

2009-01-01

Laser crystal Nd:CaNb 2 O 6 with excellent quality has been grown by Czochralski technique. The effective segregation coefficient of Nd 3+ was studied by X-ray fluorescence method. The polarized absorption spectra and the fluorescence spectra of Nd:CaNb 2 O 6 were measured at room temperature. The peak absorption cross section was calculated to be 6.202×10 -20 cm 2 with a broad FWHM of 7 nm at 808 nm for E ∥ a light polarization. The emission cross section at 1062 nm is 9.87×10 -20 cm 2 . We report what we believe to be the first demonstration of the continuous-wave Nd:CaNb 2 O 6 laser operation under diode pumping. Output power of 1.86 W at 1062 nm was obtained with a slope efficiency of 19% in the CW regime

Crystal growth, optical properties, and continuous-wave laser operation of Nd3+-doped CaNb2O6 crystal

Science.gov (United States)

Cheng, Y.; Xu, X. D.; Xin, Z.; Yang, X. B.; Xiao, X. D.; Li, D. Z.; Zhao, C. C.; Xu, J.; Zhou, S. M.

2009-10-01

Laser crystal Nd:CaNb2O6 with excellent quality has been grown by Czochralski technique. The effective segregation coefficient of Nd3+ was studied by X-ray fluorescence method. The polarized absorption spectra and the fluorescence spectra of Nd:CaNb2O6 were measured at room temperature. The peak absorption cross section was calculated to be 6.202×10-20 cm2 with a broad FWHM of 7 nm at 808 nm for E ∥ a light polarization. The emission cross section at 1062 nm is 9.87×10-20 cm2. We report what we believe to be the first demonstration of the continuous-wave Nd:CaNb2O6 laser operation under diode pumping. Output power of 1.86 W at 1062 nm was obtained with a slope efficiency of 19% in the CW regime.

Magnetocapacitance effect in ferromagnetic LiNbO{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Díaz-Moreno, Carlos; Lopez, Jorge [Department of Physics of University of Texas at El Paso, 500W. University Ave, El Paso, TX 79968 (United States); González-Hernández, Jesus [Centro de Ingeniería y Desarrollo Industrial, Santiago de Querétaro, 76130 Qro., México (Mexico); Escudero, Roberto [Universidad Nacional Autónoma de México, Departamento de Materia Condensada y Criogenia, Av. Universidad 3000, Coyoacán, México D. F. 04510, México (Mexico); Heiras, Jesus L. [Universidad Nacional Autónoma de México, Centro de Nanociencias y nanotecnología, Km 107 Carretera Tijuana-Ensenada, Ensenada, B.C. 22860, México (Mexico); Yacamán, Miguel J. [Department of Physics and Astronomy, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States); Mendez-Nonell, Juan; Hurtado-Macias, Abel [Centro de Investigación en Materiales Avanzados S.C., Laboratorio Nacional de Nanotecnología, Miguel de Cervantes 120, Complejo Industrial, Chihuahua, Chihuahua Apdo. Postal 31109 México (Mexico)

2016-06-01

Magnetocapacitance and magnetization behavior as a function of reduction heat treatment at 650 °C and 900 °C in a 5%H{sub 2}–Ar atmosphere on LiNbO{sub 3} nanocrystalline are reported. There is a change of intrinsic dielectric constant (κ) from 822 to 860 produced by spin polarization using an external magnetic field. The Raman, X-ray photoelectron spectroscopy and electron paramagnetic resonance spectroscopy, indicate vibration mode changes localized at Nb–O bonds in the octahedron NbO{sub 6}, shifts in the binding energy of the electronic structure of ions of niobium (3d) and the oxygen (1s). It is due to the oxygen vacancies caused by reduction heat treatment process. Moreover there is ions redistribution of Nb{sup +3}, Nb{sup +4}and Nb{sup +5} at the surface of the nanoparticles. - Highlights: • Magnetocapacitance and magnetization behavior as a function of reduction heat treatment on LiNbO{sub 3} nanocrystalline. • There is a change of intrinsic dielectric constant (¯) from 822 to 860 produced by spin polarization using an external magnetic field. • The Raman and X-ray photoelectron spectroscopy, indicate vibration mode changes localized at Nb–O bonds in the octahedron NbO6. • Magnetization curves measured at external field 9 T at 300 K for two different reduction heat treatment samples 650 °;C and 900 °;C in comparison without RHT. • Measurements are made at room temperature and at nine different frequencies ranging from 50 Hz to 1 MHz.

No solid solution compounds in between the binaries. Syntheses and crystal structures of Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and NbI{sub 2}Cl{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Reckeweg, Olaf; Schleid, Thomas [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

2018-04-01

The anion-mixed niobium tetrahalides Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and NbI{sub 2}Cl{sub 2} were obtained by heating NbBr{sub 5} with NbCl{sub 5} and NbI{sub 5} with NbCl{sub 5}, respectively, in equimolar ratios with niobium metal in evacuated, torch-sealed silica ampoules at 720 K for 3 days. The orthorhombic title compounds form as very brittle black needles and were characterized by single-crystal X-ray diffraction [space group: Immm, Z=4; a=704.27(6), b=824.13(7), c=929.64(8) pm for Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and a=753.76(6), b=829.38(7) and c=983.41(8) pm for NbI{sub 2}Cl{sub 2}]. Surprisingly enough, these mixed-anionic halides are not isostructural with either NbCl{sub 4}, NbBr{sub 4} or NbI{sub 4}, but crystallize isotypically with TaI{sub 2}Cl{sub 2}, thus being examples for differential site occupancy stabilized materials. Structural features of other niobium(IV) halides are compiled and compared to those of Nb(Br{sub 0.62(4)}Cl{sub 0.38(4)}){sub 2}Cl{sub 2} and NbI{sub 2}Cl{sub 2}. Except for NbF{sub 4}, they all exhibit chains of trans-edge connected [NbX{sub 6}]{sup 2-} octahedra, which allow Peierls distortions to form Nb-Nb single bonds. The packing of these chains differ, however, depending on the actual halide or mixed-halide combination.

Photoluminescence properties of aeschynite-type LaNbTiO6:RE3+ (RE = Tb, Dy, Ho) down-converting phosphors.

Science.gov (United States)

Ma, Qian; Lu, Mengkai; Yang, Ping; Zhang, Aiyu; Cao, Yongqiang

2014-06-01

In this study, a series of LaNbTiO6:RE(3+) (RE = Tb, Dy, Ho) down-converting phosphors were synthesized using a modified sol-gel combustion method, and their photoluminescence (PL) properties were investigated as a function of activator concentration and annealing temperature. The resultant particles were characterized using X-ray diffraction, transmission electron microscopy, scanning electron microscopy, UV/Vis diffuse reflectance spectroscopy and PL spectra. The highly crystalline LaNbTiO6:RE(3+) (RE = Tb, Dy, Ho) phosphors with an average size of 200-300 nm obtained at 1100°C have an orthorhombic aeschynite-type structure and exhibit the highest luminescent intensity in our study range. The emission spectra of LaNbTiO6:RE(3+) (RE = Tb, Dy, Ho) phosphors under excitations at UV/blue sources are mainly composed of characteristic peaks arising from the f-f transitions of RE(3+), including 489 nm ((5) D4 → (7) F6) and 545 nm ((5) D4 → (7) F5) for Tb(3+), 476 and 482 nm ((4) F9/2 → (6) H15/2) and 571 nm ((4) F9/2 → (6) H13/2) for Dy(3+), and 545 nm ((5) F4 + (5) S2 → (5) I8) for Ho(3+), respectively. The luminescent mechanisms were further investigated. It can be expected that these phosphors are of intense interest and potential importance for many optical applications. Copyright © 2013 John Wiley & Sons, Ltd.

Electrochemical characterization and redox behavior of Nb-doped SrTiO3

DEFF Research Database (Denmark)

Blennow Tullmar, Peter; Kammer Hansen, Kent; Wallenberg, L. Reine

2009-01-01

Sr-vacancy compensated Nb-doped SrTiO3 with the nominal composition Sr0.94Ti0.9Nb0.1O3 has been evaluated as a solid oxide fuel cell (SOFC) anode material in terms of redox stability and electrochemical properties. Sr0.94Ti0.9Nb0.1O3 has been synthesized with a recently developed modified glycine......-nitrate process. The phase purity and redox behavior have been analyzed with XRD and TGA. The electrochemical properties of Sr0.94Ti0.9Nb0.1O3 and a composite electrode of Sr0.94Ti0.9Nb0.1O3/YSZ have been investigated by electrochemical impedance spectroscopy (EIS) on cone shaped electrodes and on electrodes...... in a symmetrical cell configuration. The experiments indicated that the Nb-doped SrTiO3 electrodes were redox stable and showed a potential ability to be used as a part of a SOFC anode. The electrochemical activity appeared to be governed by the concentration of defect species (especially Ti3+ and V-0...

Estudos sobre o uso do NbCl5 como ácido de Lewis em reações de Povarov

Directory of Open Access Journals (Sweden)

Luiz Carlos Silva-Filho

2011-08-01

Full Text Available RESUMO: O objetivo deste trabalho foi investigar o uso de NbCl5 como ácido de Lewis em reações de cicloadição (Reação Aza-Diels-Alder (Povarov entre bases de Schiff e éteres enólicos. A comparação dos rendimentos, dos produtos formados e do tempo de reação com NbCl5 foi um ponto fundamental da pesquisa. Nas reações de aza-Diels-Alder entre bases de Schiff e éteres enólicos (di-hidropirano ou di-hidrofurano, o NbCl5 se mostrou um ótimo catalisador para a síntese de derivados de pirano- e furanoquinolinas. Estes derivados formam uma importante classe de produtos naturais que apresentam ampla atividade biológica. As reações foram conduzidas com baixa concentração de nióbio e em tempos relativamente curtos, obtendo-se rendimentos variando de 78 a 95%. Studies on the use of NbCl5 as Lewis acid in Povarov reactionsABSTRACT: The aim of this work was to investigate the use of NbCl5 as Lewis acid in cycloadittion reactions [Reaction Aza-Diels-Alder (Povarov] between Schiff bases and enol ethers. Comparison of reaction yields, obtained products as well as reaction time with NbCl5 were also a key point on this work. In the aza-Diels-Alder reactions between Schiff bases and enol ethers (dihydropyran or dihydrofuran, the NbCl5 was an excellent catalyst for the synthesis of pyrano- and furanoquinoline derivatives. These derivatives are an important class of natural products that exhibit wide range of biological activity. The reactions were carried out at low concentration of niobium and in relatively short times, resulting in yields varying from 78 to 95%.

Comparative study of the magnetic properties of La3Ni2B‧O9 for B‧ = Nb, Taor Sb

Science.gov (United States)

Chin, Chun-Mann; Battle, Peter D.; Blundell, Stephen J.; Hunter, Emily; Lang, Franz; Hendrickx, Mylène; Paria Sena, Robert; Hadermann, Joke

2018-02-01

Polycrystalline samples of La3Ni2NbO9 and La3Ni2TaO9 have been characterised by X-ray and neutron diffraction, electron microscopy, magnetometry and muon spin relaxation (μSR); the latter technique was also applied to La3Ni2SbO9. On the length scale of a neutron diffraction experiment, the six-coordinate sites of the monoclinic perovskite structure are occupied in a 1:1 ordered manner by Ni and a random ⅓Ni/⅔B‧ mixture. Electron microscopy demonstrated that this 1:1 ordering is maintained over microscopic distances, although diffuse scattering indicative of short-range ordering on the mixed site was observed. No magnetic Bragg scattering was observed in neutron diffraction patterns collected from La3Ni2B‧O9 (B‧ = Nb or Ta) at 5 K although in each case μSR identified the presence of static spins below 30 K. Magnetometry showed that La3Ni2NbO9 behaves as a spin glass below 29 K but significant short-range interactions are present in La3Ni2TaO9 below 85 K. The contrasting properties of these compounds are discussed in terms of their microstructure.

Unified explanation for optical and electron paramagnetic resonance spectra of Cr sup 3 sup + ions in LiNbO sub 3 crystals

CERN Document Server

Zhao, M G

1997-01-01

An approximately microscopic model is developed for the Cr sup 3 sup + -6O sup 2 sup - cluster and applied to study the optical data and electron paramagnetic resonance (EPR) g-factors and the zero-field splitting D-value in LiNbO sub 3 :Cr sup 3 sup +. Analysis of the optical and EPR data indicate that Cr sup 3 sup + ions substitute at Nb sites and Nb-vacancy (Li) sites simultaneously. The results are in good agreement with the experimental findings. This means that the optical and EPR data and the substitution site of Cr sup 3 sup + ions in LiNbO sub 3 can be interpreted uniformly. (author)

Evolution of ferroelectric SrBi2Nb2O9 phase embedded in tellurite glass

Science.gov (United States)

Mohamed, E. A.

2017-12-01

Glasses with the composition, [(100-x)TeO2- x(SrO-Bi2O3-Nb2O5)] with x = 20, 30 and 40 (in mol %) were prepared. The X-ray diffraction (XRD) pattern and differential thermal analysis (DTA) for the as-prepared samples confirmed the amorphous and glassy characteristics, respectively. The SrBi2Nb2O9 phase in tellurite glass for HT773 sample at x = 40 mol % is formed and confirmed by the Rietveld refinement. DTA curves for all glass samples exhibit two endothermic dips while the two broad exothermic peaks at lower x reduced to one at higher x. Infrared (IR) results revealed that the glassy matrix are composed of TeO3, TeO3+1, TeO4, BiO6 and NbO6 structural units. The changes in the density (ρ), molar volume (Vm), oxygen molar volume (V0) and oxygen packing fraction (OPD) have correlated with structural changes in the glass network. The optical studies show an absorption bands below the absorption edge in the glass samples.

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

Science.gov (United States)

Soni, Namrata D.

2018-04-01

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

Sr_2SmNbO_6 perovskite: Synthesis, characterization and density functional theory calculations

International Nuclear Information System (INIS)

Dutta, Alo; Mukhopadhyay, P.K.; Sinha, T.P.; Shannigrahi, Santiranjan; Himanshu, A.K.; Sen, Pintu; Bandyopadhyay, S.K.

2016-01-01

The density functional theory (DFT) under the generalized gradient approximation (GGA) has been used to investigate the electronic structure of double perovskite oxide Sr_2SmNbO_6 synthesized by the solid-state reaction technique. The Rietveld refinement of the X-ray diffraction pattern of the sample shows the monoclinic P2_1/n phase at room temperature. The X-ray photoemission spectrum (XPS) of the material is collected in the energy window of 0–1200 eV. The chemical shift of the constituent elements calculated from the core level XPS spectra is used to analyze the covalency between the O anion and Sm/Nb cations. The valence band (VB) XPS spectrum is compared with the calculated VB spectrum using partial density of states in a standard way. The Raman spectrum is employed to investigate the phonon modes of the material in the monoclinic phase. Lorentzian lines are used to fit the experimental Raman spectrum, which present 24 phonon modes corresponding to the stretching and banding of NbO_6/SmO_6 octahedra and translational motion of Sr along the Sr−O bond. The discrepancy between the measured and calculated band gap values has been removed by applying modified Becke-Johnson (mBJ) potential in the DFT calculations. The experimental optical band gap obtained from the UV–visible reflectance spectrum is found to be 3.42 eV, which is well matched with the DFT calculated value of 3.2 eV, and suggests the semiconducting nature of the material. The real (ε′) and imaginary (ε″) parts of the optical dielectric constant as a function of energy along the x-, y- and z-polarization directions using mBJ potential are calculated. The collective vibrational modes of the atoms, the Born effective charge of the ions and their effect on the static dielectric constant of the material are studied using DFT. The calculated value of static dielectric constant for SSN is found to be 41.3. - Highlights: • Electronic structure and dynamical properties of Sr_2SmNbO_6 (SSN

Characterisation of Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} ceramics by SEM, XRD, XPS and dielectric permittivity tests

Energy Technology Data Exchange (ETDEWEB)

Molak, A. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland)]. E-mail: molak@us.edu.pl; Talik, E. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Kruczek, M. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Paluch, M. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Ratuszna, A. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Ujma, Z. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland)

2006-03-15

The Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} ceramics has been obtained from oxides by sintering in air, using a two-stage process with precursor columbite-like (Mn{sub 0.5}Nb)O{sub 3} phase. The PbO oxide was added in the second stage. Analysis of the X-ray diffraction pattern shows that the ceramics consist of 91% of major perovskite phase. A monoclinic distortion of the perovskite structure was found. The cell parameters are a = 12.193(3) A, b = 11.966(6) A, c 12.144(2) A, {beta} = 90{sup o}10.7'. The microanalysis made with SEM exhibited fluctuation in chemical composition of the perovskite phase. Precipitation of MnO{sub 2}, PbO and the Pb-Mn-Nb-O phase different from perovskite was found. The X-ray photoelectron spectroscopy was used to study the electronic structure of the Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} ceramics. The core levels of lead, manganese, niobium and oxygen were measured. The shape of valence band ridge is influenced by Mn 3d states. The real average chemical composition obtained from the XPS measurement is Pb{sub 0.99}(Mn{sub 0.42}Nb{sub 0.67})O{sub 2.92}. Broadband dielectric measurement was carried out in 10{sup -2} to 10{sup 6} Hz and within 80-700 K ranges. The dominant relaxation process exhibits characteristic times typical for ionic processes {tau} {sub 0,H} = 1 x 10{sup -11} s for the higher temperature range and, {tau} {sub 0,L} = 1 x 10{sup -9} s for lower temperatures. The activation energy of relaxation process, E {sub M,H} = 0.43 eV and E {sub M,L} = 0.34 eV corresponds to activation energy of electric conductivity. The dielectric relaxation is ascribed to dipoles created by oxygen vacancies and/or Mn-V {sub O} complexes.

Emission of intermediate-mass fragments in the interaction of sup 1 sup 6 O with sup 5 sup 9 Co, sup 9 sup 3 Nb and sup 1 sup 9 sup 7 Au

CERN Document Server

Gadioli, E; Birattari, C; Cavinato, M; Fabrici, E; Gadioli-Erba, E; Pigni, M; Steyn, G F; Förtsch, S V; Lawrie, J J; Connell, S H; Sellschop, J P Friedel; Sideras-Haddad, E; Cowley, A A

2003-01-01

In this paper we study the emission of sup 8 Be sub g sub s , B and N fragments in the interaction of sup 1 sup 6 O ions with sup 5 sup 9 Co, sup 9 sup 3 Nb and sup 1 sup 9 sup 7 Au at incident energies varying from 6 to 25 MeV/nucleon. The spectra of these fragments, as well as those of C fragments studied in a previous paper, are dominated at forward angles by a component originating from break-up of sup 1 sup 6 O. At the higher incident energies break-up occurs after quite a sizeable projectile energy loss. Another mechanism which dominates at large emission angles, favours the emission of low-energy fragments and is attributed to the coalescence of nucleons during the cascade of nucleon-nucleon interactions by means of which the excited nuclei produced in the primary two-ion interaction thermalize. (orig.)

Structure and properties of Mn4Cl9: An antiferromagnetic binary hyperhalogen

Science.gov (United States)

Li, Yawei; Zhang, Shunhong; Wang, Qian; Jena, Puru

2013-02-01

Calculations based on density functional theory show that the structure of Mn4Cl9 anion is that of a Mn atom at the core surrounded by three MnCl3 moieties. Since Mn is predominantly divalent and MnCl3 is known to be a superhalogen with a vertical detachment energy (VDE) of 5.27 eV, Mn4Cl9 can be viewed as a hyperhalogen with the formula unit Mn(MnCl3)3. Indeed, the calculated VDE of Mn4Cl9 anion, namely 6.76 eV, is larger than that of MnCl3 anion. More importantly, unlike previously discovered hyperhalogens, Mn4Cl9 is the first such hyperhalogen species composed of only two constituent atoms. We further show that Mn4Cl9 can be used as a ligand to design molecules with even higher VDEs. For example, Li[Mn(MnCl3)3]2 anion has a VDE of 7.26 eV. These negatively charged clusters are antiferromagnetic with most of the magnetic moments localized at the Mn sites. Our studies show new pathways for creating binary hyperhalogens.

Separating NaCl and AlCl3·6H2O Crystals from Acidic Solution Assisted by the Non-Equilibrium Phase Diagram of AlCl3-NaCl-H2O(-HCl Salt-Water System at 353.15 K

Directory of Open Access Journals (Sweden)

Huaigang Cheng

2017-08-01

Full Text Available Extracting AlCl3·6H2O from acid leaching solution through crystallization is one of the key processes to extracting aluminum from fly ash, coal gangue and other industrial solid wastes. However, the obtained products usually have low purity and a key problem is the lack of accurate data for phase equilibrium. This paper presented the non-equilibrium phase diagrams of AlCl3-NaCl-H2O (HCl salt-water systems under continuous heating and evaporation conditions, which were the main components of the acid leaching solution obtained through a sodium-assisted activation hydrochloric acid leaching process. The ternary system was of a simple eutonic type under different acidities. There were three crystalline regions; the crystalline regions of AlCl3·6H2O, NaCl and the mixture AlCl3·6H2O/NaCl, respectively. The phase diagram was used to optimize the crystallization process of AlCl3·6H2O and NaCl. A process was designed to evaporate and remove NaCl at the first stage of the evaporation process, and then continue to evaporate and crystallize AlCl3·6H2O after solid-liquid separation. The purities of the final salt products were 99.12% for NaCl and up to 97.35% for AlCl3·6H2O, respectively.

Synthesis of green emission upconversion phosphor nanosheets (LaNb{sub 2}O{sub 7}) doped with Er{sup 3+} and Yb{sup 3+}

Energy Technology Data Exchange (ETDEWEB)

Takasugi, Soichi [Course of Science and Technology, Graduate School of Science and Technology, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Iida, Riku [Department of Chemistry, School of Science, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Tomita, Koji, E-mail: tomita@keyaki.cc.u-tokai.ac.jp [Department of Chemistry, School of Science, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Iwaoka, Michio [Course of Science and Technology, Graduate School of Science and Technology, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Department of Chemistry, School of Science, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Katagiri, Kiyofumi [Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Osada, Minoru [International Center for Materials Nano architectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Kakihana, Masato [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

2016-05-15

LaNb{sub 2}O{sub 7}:Er{sup 3+},Yb{sup 3+} upconversion (UPC) phosphor nanosheets were prepared by exfoliating a KLaNb{sub 2}O{sub 7}:Er{sup 3+},Yb{sup 3+} layered compound. Highly crystalline nanosheets with a thickness and lateral size of 3.91 nm and approximately 300 nm, respectively, were obtained. The UPC emission intensity of the nanosheets was 7.6 times greater than that of mechanically milled particles (100–500 nm) of bulk KLaNb{sub 2}O{sub 7}:Er{sup 3+},Yb{sup 3+}. The UPC emission intensities of the nanosheets dispersed in different solvents (H{sub 2}O, D{sub 2}O, CH{sub 3}OH, CH{sub 2}Cl{sub 2}, and CCl{sub 4}) were measured, and the intensities were observed to decrease in the order CCl{sub 4}>CH{sub 2}Cl{sub 2}>D{sub 2}O>CH{sub 3}OH>H{sub 2}O. Because of the large surface area of the nanosheets, their emission intensity was decreased depending on the solvent's vibrational energy. - Highlights: • La{sub 0.45}Er{sub 0.05}Yb{sub 0.5}Nb{sub 2}O{sub 7} nanosheets were synthesized by a soft breakdown method (exfoliation). • The lateral size and thickness of the nanosheets were approximately 300 nm and approximately 3.91 nm, respectively. • The exfoliated nanosheets exhibited bright upconversion emission 7.6 times more intense than that of the milled sample (100–500 nm). • The nanosheets dispersed in solvents exhibited greatly different upconversion emission intensities depending on the solvent's vibrational energy.

Phase transitions and molecular motions in [Ni(ND3)6](ClO4)2

International Nuclear Information System (INIS)

Migdal-Mikuli, Anna; Mikuli, Edward; Gorska, Natalia; Kowalska, Aneta; Ulanski, Jacek

2004-01-01

[Ni(ND 3 ) 6 ](ClO 4 ) 2 has three solid phases between 100 and 300 K. The phase transitions temperatures at heating (T C1 h =164.1 K and T C2 h =145.1 K) are shifted, as compared to the non-deuterated compound, towards the lower temperature of ca. 8 and 5 K, respectively. The ClO 4 - anions perform fast, picosecond, isotropic reorientation with the activation energy of 6.6 kJ mol -1 , which abruptly slow down at T C1 c phase transition, during sample cooling. The ND 3 ligands perform fast uniaxial reorientation around the Ni-N bond in all three detected phases, with the effective activation energy of 2.9 kJ mol -1 . The reorientational motion of ND 3 is only slightly distorted at the T C1 phase transition due to the dynamical orientational order-disorder process of anions. The low value of the activation energy for the ND 3 reorientation suggests that this reorientation undergoes the translation-rotation coupling, which makes the barrier to the rotation of the ammonia ligands not constant but fluctuating. The phase polymorphism and the dynamics of the molecular reorientations of the title compound are similar but not quite identical with these of the [Ni(NH 3 ) 6 ](ClO 4 ) 2

SmBa2NbO6 Nanopowders, an Effective Percolation Network Medium for YBCO Superconductors

Directory of Open Access Journals (Sweden)

S. Vidya

2013-01-01

Full Text Available The percolation behavior of superconductor-insulator composite, YBa2Cu3O7–δ, and nano SmBa2NbO2 synthesized by modified combustion technique was studied. Particle size of nano SmBa2NBO6 was determined using transmission electron microscopy. The chemical nonreactivity of nano SmBa2NbO6 with YBCO is evident from the X-Ray diffraction study which makes it a suitable nanoceramic substrate material for high temperature superconducting films. A systematic increase in the sintered density, approaching the optimum value of the insulating nanophase is clearly observed, as the vol.% of YBCO in the composite decreases. SEM micrograph showed uniform distribution of nanopowder among the large clusters of YBCO. The obtained percolation threshold is ~26 vol% of YBCO in the composite. All the composites below the threshold value showed TC(0~92 K even though the room resistivity increases with increase in vol.% of nano SmBa2NbO6. The values of critical exponents obtained matches well with the theoretically expected ones for an ideal superconductor-insulator system.

Phase transition and piezoelectric properties of K0.48Na0.52NbO3-LiTa0.5Nb0.5O3-NaNbO3 lead-free ceramics

International Nuclear Information System (INIS)

Gao Feng; Liu Liangliang; Xu Bei; Cao Xiao; Deng Zhenqi; Tian Changsheng

2011-01-01

Highlights: → The evolution of the crystal structure for the new phase K 3 Li 2 Nb 5 O 15 was described. → The dielectric relaxor behavior would be strengthened by increasing plate-like NN. → k p and d 33 decrease with increasing amount of plate-like NN. → 0.01-0.03 mol of plate-like NN is a proper content for texturing ceramics by RTGG. - Abstract: Plate-like NaNbO 3 (NN) particles were used as the raw material to fabricate (1 - x)[0.93 K 0.48 Na 0.52 Nb O 3 -0.07Li(Ta 0.5 Nb 0.5 )O 3 ]-xNaNbO 3 lead-free piezoelectric ceramics using a conventional ceramic process. The effects of NN on the crystal structure and piezoelectric properties of the ceramics were investigated. The results of X-ray diffraction suggest that the perovskite phase coexists with the K 3 Li 2 Nb 5 O 15 phase, and the tilting of the oxygen octahedron is probably responsible for the evolution of the tungsten-bronze-typed K 3 Li 2 Nb 5 O 15 phase. The Curie temperature (T C ) is shifted to lower temperature with increasing NN content. (1 - x)[0.93 K 0.48 Na 0.52 NbO 3 -0.07Li(Ta 0.5 Nb 0.5 )O 3 ]-xNaNbO 3 ceramics show obvious dielectric relaxor characteristics for x > 0.03, and the relaxor behavior of ceramics is strengthened by increasing NN content. Both the electromechanical coupling factor (k p ) and the piezoelectric constant (d 33 ) decrease with increasing amounts of NN. 0.01-0.03 mol of plate-like NaNbO 3 in 0.93 K 0.48 Na 0.52 NbO 3 -0.07Li(Ta 0.5 Nb 0.5 )O 3 gives the optimum content for preparing textured ceramics by the RTGG method.

Two-step crystal engineering of porous nets from [Cr3(μ 3-O)(RCO2)6] and [Cu3(μ 3-Cl)(RNH2)6Cl6] molecular building blocks

KAUST Repository

Elsaidi, Sameh K.

2013-01-01

Two porous nets have been prepared via a 2-step crystal engineering approach that links decorated trigonal prismatic [Cr3(μ 3-O)(CO2)6] and [Cu3(μ 3-Cl)(RNH2)6Cl6] molecular building blocks, MBBs. tp-PMBB-5-acs-1 is a rare example of a rigid acs underlying net whereas tp-PMBB-6-stp-1, an stp underlying net, exhibits free NH2 groups in its channels and a relatively high isosteric heat of adsorption for CO2. © 2013 The Royal Society of Chemistry.

Synthesis of anatase nanoparticles with extremely wide solid solution range and ScTiNbO6 with α-PbO2 structure

International Nuclear Information System (INIS)

Hirano, Masanori; Ito, Takaharu

2009-01-01

Anatase-type nanoparticles Sc X Ti 1-2X Nb X O 2 with wide solid solution range (X=0-0.35) were hydrothermally formed at 180 deg. C for 5 h. The lattice parameters a 0 and c 0 , and the optical band gap of anatase gradually and linearly increased with the increase of the content of niobium and scandium from X=0 to 0.35. Their photocatalytic activity and adsorptivity by the measurement of the concentration of methylene blue (MB) that remained in the solution in the dark or under UV-light irradiation were evaluated. The anatase phase existed stably up to 900 deg. C for the samples with X=0.25-0.30 and 750 deg. C for that with X=0.35 during heat treatment in air. The phase with α-PbO 2 structure and the rutile phases coexisted in the samples with X=0.25-0.30 after heated at temperatures above 900-950 deg. C. The α-PbO 2 structure having composition ScTiNbO 6 with possibly some cation order similar to that seen in wolframite existed as almost completely single phase after heat treatment at temperatures 900-1500 deg. C through phase transformation from anatase-type ScTiNbO 6 . - Graphical abstract: Anatase-type Sc X Ti 1-2X Nb X O 2 solid solutions with wide solid solution range (X=0-0.35) were hydrothermally formed as nanoparticles from the precursor solutions of Sc(NO 3 ) 3 , TiOSO 4 , NbCl 5 at 180 deg. C for 5 h using the hydrolysis of urea. Anatase-type ScTiNbO 6 was synthesized under hydrothermal condition. ScTiNbO 6 having α-PbO 2 structure with possibly some cation order similar to that seen in wolframite was formed through phase transformation above 900 deg. C.

Impact of ambient gases on the mechanism of [Cs8Nb6O19]-promoted nerve-agent decomposition.

Science.gov (United States)

Kaledin, Alexey L; Driscoll, Darren M; Troya, Diego; Collins-Wildman, Daniel L; Hill, Craig L; Morris, John R; Musaev, Djamaladdin G

2018-02-28

19 /X-MPFA-(i-POH) and Cs 8 Nb 6 O 19 /X-(i-MPA)-HF both in the absence and presence of ambient gas molecules. The high stability of these intermediates is due to, in part, the strong hydrogen bonding between the adsorbates and the protonated [Cs 8 Nb 6 O 19 /X/H] + -core. Desorption of HF or/and (i-POH) and regeneration of the catalyst required deprotonation of the [Cs 8 Nb 6 O 19 /X/H] + -core and protonation of the phosphonic acids i-MPA and MPFA. This catalyst regeneration is shown to be a highly endothermic process, which is the rate-limiting step of the GB hydrolysis and decontamination reaction both in the absence and presence of ambient gas molecules.

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

International Nuclear Information System (INIS)

Wontcheu, Joseph; Schleid, Thomas

2005-01-01

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

Raman spectroscopy, thermal and optical properties of TeO2-ZnO-Nb2O5-Nd2O3 glasses.

Science.gov (United States)

Kamalaker, V; Upender, G; Ramesh, Ch; Mouli, V Chandra

2012-04-01

The glasses with composition 75TeO2-10ZnO-(15-x)Nb2O5-xNd2O3 (0≤x≤9 mol%) were prepared using melt quenching method and their physical properties such as density (ρ), molar volume (VM), average crosslink density (nc¯), oxygen packing density (OPD) and number of bonds per unit volume (nb) were determined. Raman spectroscopic studies showed that the glass network consists of TeO4, TeO3+1, TeO3 and NbO6 units as basic structural units. The glass transition temperature (Tg), crystallization onset (To) and thermal stability (ΔT) were determined from DSC thermograms. The Raman and DSC results were found to be correlated with the physical properties. In the optical absorption spectra six absorption bands were observed with different relative intensities at around 464, 522, 576, 742, 801 and 871 nm which are assigned to the transition of electrons from (ground state) 4I9/2→G11/2; 4I9/2→2K3/2, 2G7/2; 4I9/2→4G5/2, 4G7/2; 4I9/2→4S3/2; 4F7/2→2H9/2, 4F5/2 and 4I9/2→2F3/2 respectively. From optical absorption data the energy band gap (Eopt) and Urbach energy (ΔE) were calculated. Copyright © 2012 Elsevier B.V. All rights reserved.

Perovskite-related Ca(Nb,Ti)O3.33

International Nuclear Information System (INIS)

Guevarra, J.; Smaalen, S. van; Daniels, P.; Rotiroti, N.; Lichtenberg, F.

2005-01-01

Crystals of nominal composition Ca(Nb 0.8 Ti 0.2 )O 3.4 , an n = 5 member of the homologous series A n B n O 3n+2 , have been synthesized by floating-zone melting. The material was found to be multiphase consisting also of the n = 6 type. A good single crystal of this n = 6 type was found and the crystal structure at room temperature was determined by X-ray diffraction using synchrotron radiation. Structure refinements indicate a composition of Ca(Nb 0.76 Ti 0.24 )O 3.33 . The crystal structure is monoclinic P2 1 and consists of slabs of corner-sharing (Nb,Ti)O 6 octahedra interrupted by layers of oxygen atoms. Ca atoms within the slabs are 12-fold coordinated whereas those at the borders show irregular coordination geometries. The octahedral distortion is greatest near the borders of the slabs and least near the middle of the slabs. Ti 4+ preferentially occupy octahedral sites in the middle of slabs. The non-stoichiometry in the refined composition and the insulating character of the material may be explained in terms of extra oxygen, vacancies on the cation sites, or by localization of the electrons in the 4d orbitals of Nb at the borders of slabs. (orig.)

Dissociation of deep-core-excited CH{sub 3}Cl

Energy Technology Data Exchange (ETDEWEB)

Hansen, D.L.; Martin, R.; Vanderford, B. [Univ. of Nevada, Las Vegas, NV (United States)] [and others

1997-04-01

Using x-rays from B.L. 9.3.1, a space-focused time-of-flight (TOF) was used to study photofragmentation of CH{sub 3}Cl following excitation in the neighborhood of the Cl K-shell threshold ({approximately} 2.8 keV). Multi-ion coincidence measurements were used to search for selective dissociation of specific bonds in the molecule. Such selectivity has been observed for excitation near outer-core-level thresholds (e.g., Cl 2p), but this is the first study in deep core levels, where very-short core-hole lifetimes and Auger cascade effects may influence fragmentation. Both high-resolution time-of-flight spectroscopy and multi-coincidence photoelectron-photoion-photoion (PE-PIPICO), as well as photoelectron-photoion-photoion-photoion (PE3PICO) measurements were performed. Dramatic changes in the line shapes for different fragment ions are observed as a function of the excitation energy, and are attributed to selective dissociation of the CH{sub 3}Cl molecule along the C-Cl bond. In addition, pronounced angular distributions of the ejected ions are observed on resonance.

Simple preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n=1, 2 (Q=TBA+, PPN+) and structural characterization of [TBA][Pt2Cl9] and [PPN]2[Pt2Cl10].C7H8.

Science.gov (United States)

Dell'Amico, Daniela Belli; Calderazzo, Fausto; Marchetti, Fabio; Ramello, Stefano; Samaritani, Simona

2008-02-04

The hexanuclear Pd6Cl12, i.e., the crystal phase classified as beta-PdCl2, was obtained by reacting [TBA]2[Pd2Cl6] with AlCl3 (or FeCl3) in CH2Cl2. The action of AlCl3 on PtCl42-, followed by digestion of the resulting solid in 1,2-C2H4Cl2 (DCE), CHCl3, or benzene, produced Pt6Cl12.DCE, Pt6Cl12.CHCl3, or Pt6Cl12.C6H6, respectively. Treating [TBA]2[PtCl6] with a slight excess of AlCl3 afforded [TBA][Pt2Cl9], whose anion was established crystallographically to be constituted by two "PtCl6" octahedra sharing a face. Dehydration of H2PtCl6.nH2O with SOCl2 gave an amorphous compound closely analyzing as PtCl4, reactive with [Q]Cl in SOCl2 to yield [Q][Pt2Cl9] or [Q]2[Pt2Cl10], depending on the [Q]Cl/Pt molar ratio (Q=TBA+, PPN+). A single-crystal X-ray diffraction study has shown [PPN]2[Pt2Cl10].C7H8 to contain dinuclear anions formed by two edge-sharing PtCl6 octahedra.

An ultrasonic therapeutic transducers using lead-free Na0.5K0.5NbO3-CuNb2O6 ceramics

International Nuclear Information System (INIS)

Yang, Ming-Ru; Chu, Sheng-Yuan; Tsai, Cheng-Che

2010-01-01

Research highlights: → In this paper, CN was added to NKN ceramics to decrease the sintering temperature and to improve the density and piezoelectric characteristics. The influence of CuNb 2 O 6 (CN) content on the microstructure, electrical properties, temperature stability, and mechanical properties of the synthesized samples was investigated. Results show that the samples synthesized with CN-doped not only improved the density but also exhibited superior piezoelectric characteristic, temperature stability of resonance frequency (TCF), and elastic stiffness coefficient than those of pure NKN piezoelectric ceramics. → The bulk density (4.47 g/cm 3 ), k p (40%), k t (45%), Q m (1642), C 33 D (19.64 x 10 10 N/m 2 ), TCF (-0.011%/ o C) and TCC (0.135%/ o C) values for NKN-01CN ceramics obtained from experiments show excellent 'hard' piezoelectric properties. Furthermore, a lead-free NKN-01CN ultrasonic therapeutic transducer was successfully driven by a self-tuning circuit. - Abstract: In this work, we reports on the CuNb 2 O 6 (CN) modified lead-free Na 0.5 K 0.5 NbO 3 (NKN) based piezoelectric ceramics were synthesized by solid-state reaction methods and sintered at 1075 o C for 3 h. A secondary phase of K 4 CuNb 8 O 23 was found in the XRD pattern of NKN-based ceramics as the CN dopants is 1 mol%. Microstructural analyses of un-doped and CN-doped ceramics were performed in a scanning electron microscope. The influence of CN content on the microstructure, electrical properties, temperature stability, and mechanical properties of the synthesized ceramics was investigated. The results show that the synthesized ceramics with CN-doped not only had improved density but also exhibited superior piezoelectric characteristics, temperature stability of resonance frequency (TCF), and a better elastic stiffness coefficient than those of pure NKN piezoelectric ceramics. The bulk density (4.47 g/cm 3 ), k p (40%), k t (45%), Q m (1642), C 33 D (19.64 x 10 10 N/m 2 ), TCF (-0

Microwave-Hydrothermal Synthesis and Characterization of High-Purity Nb Doped BaTiO3 Nanocrystals

Directory of Open Access Journals (Sweden)

A. Khanfekr

2014-01-01

Full Text Available The synthesis of Nb doped BaTiO3 has been investigated under Microwave-Hydrothermal (MH conditions in the temperature of 150°C for only 2 h using C16H36O4Ti, BaH2O2.8H2O and NbCl5 as Ba, Ti and  Nb sources, respectively.  Typical experiments performed on MH processing have not yet reported for Nb doped BaTiO3.  In the MH process, the formation of high purity nano tetragonal Nb-BaTiO3 was strongly enhanced. New hydrothermal method was used instead of the previous solid state reaction for the BaTiO3±Nb2O3 system. The new method uses high pressure to create nano dimension particles in a lower time and temperature. In case of the phase evolution studies, the XRD pattern measurements and Raman spectroscopy were performed. TEM and FE-SEM images were taken for the detailed analysis of the particle size, surface and morphology.  Synthesis of Nb doped BaTiO3 with the Microwave-hydrothermal provides an advantage of fast crystallization and reduced crystal size when compared to existing methods.

Sr{sub 2}SmNbO{sub 6} perovskite: Synthesis, characterization and density functional theory calculations

Energy Technology Data Exchange (ETDEWEB)

Dutta, Alo, E-mail: alo_dutta@yahoo.com [Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector III, Salt Lake, Kolkata, 700106 (India); Mukhopadhyay, P.K. [Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector III, Salt Lake, Kolkata, 700106 (India); Sinha, T.P. [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata, 700 009 (India); Shannigrahi, Santiranjan [Institute of Materials Research and Engineering, Agency for Science Technology and Research, 3 Research Link, Singapore, 117602 (Singapore); Himanshu, A.K.; Sen, Pintu; Bandyopadhyay, S.K. [Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata, 700064 (India)

2016-08-15

The density functional theory (DFT) under the generalized gradient approximation (GGA) has been used to investigate the electronic structure of double perovskite oxide Sr{sub 2}SmNbO{sub 6} synthesized by the solid-state reaction technique. The Rietveld refinement of the X-ray diffraction pattern of the sample shows the monoclinic P2{sub 1}/n phase at room temperature. The X-ray photoemission spectrum (XPS) of the material is collected in the energy window of 0–1200 eV. The chemical shift of the constituent elements calculated from the core level XPS spectra is used to analyze the covalency between the O anion and Sm/Nb cations. The valence band (VB) XPS spectrum is compared with the calculated VB spectrum using partial density of states in a standard way. The Raman spectrum is employed to investigate the phonon modes of the material in the monoclinic phase. Lorentzian lines are used to fit the experimental Raman spectrum, which present 24 phonon modes corresponding to the stretching and banding of NbO{sub 6}/SmO{sub 6} octahedra and translational motion of Sr along the Sr−O bond. The discrepancy between the measured and calculated band gap values has been removed by applying modified Becke-Johnson (mBJ) potential in the DFT calculations. The experimental optical band gap obtained from the UV–visible reflectance spectrum is found to be 3.42 eV, which is well matched with the DFT calculated value of 3.2 eV, and suggests the semiconducting nature of the material. The real (ε′) and imaginary (ε″) parts of the optical dielectric constant as a function of energy along the x-, y- and z-polarization directions using mBJ potential are calculated. The collective vibrational modes of the atoms, the Born effective charge of the ions and their effect on the static dielectric constant of the material are studied using DFT. The calculated value of static dielectric constant for SSN is found to be 41.3. - Highlights: • Electronic structure and dynamical

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

International Nuclear Information System (INIS)

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

1998-02-01

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

Estudio dieléctrico de cerámicas de textura y microestructura controladas con composiciones (SrBi2Nb2O91-x(Bi3TiNbO9x

Directory of Open Access Journals (Sweden)

Pardo, L.

2002-02-01

Full Text Available Ceramics of composition (SrBi2Nb2O91-x(Bi3TiNbO9x with x = 0.35, 0.65 and 1.00 and Aurivillius type structure have been prepared by natural sintering and hot pressing. Amorphous precursors were obtained by mechanochemical activation of stoichiometric mixtures of oxides and carbonates, which allows using moderate processing temperatures. These materials are interesting for their use as high temperature piezoelectrics. Dielectric characterisation allows to know the temperature at what takes place the ferro-paraelectric transition, which limits the working temperature of the material. It also gives information on how the electric properties, especially the d. c. conductivity, affect the polarizability of the ceramics. The properties relation with the microstructure and the texture is studied. In this work, dielectric studies of these materials have been made, in the frequency interval from 100 Hz to 5 MHz and in the temperature range from 200 ºC up to the ferroparaelectric transition temperatures (>900 ºC for Bi3TiNbO9.Se han preparado cerámicas de la solución sólida (SrBi2Nb2O91-x(Bi3TiNbO9x con x = 0.35, 0.65 y 1.00 y estructura tipo Aurivillius obtenidas por sinterización natural y por prensado en caliente. Se parte de precursores amorfos obtenidos por activación mecanoquímica de una mezcla estequiométrica de óxidos y carbonatos, lo que permite utilizar temperaturas moderadas de procesado. Estos materiales son interesantes por su posible uso como piezoeléctricos de alta temperatura. La caracterización dieléctrica permite establecer a qué temperatura se encuentra la transición ferro-paraeléctrica que limita la temperatura de uso del material y como afectan las propiedades eléctricas, especialmente la conductividad d. c., a la polarizabilidad de las cerámicas, así como su relación con su microestructura y textura. En este trabajo se ha realizado el estudio dieléctrico de estos materiales en el intervalo de frecuencias de 100

Synthesis and Characterization of Mixed Chalcogen Triangular Complexes with New Mo-3(mu(3)-S)(mu(2)-Se-2)(3)(4+) and M-3(mu(3)-S)mu(2)-Se)(3)(4+) (M = Mo, W) Cluster Cores

DEFF Research Database (Denmark)

Gushchin, Artem; Ooi, Bee Lean; Harris, Pernille

2009-01-01

In our pursuit of mixed chalcogen-bridged cluster complexes, solids of the compositions Mo3SSe6Br4 and W3SSe6Br4 were prepared using high-temperature synthesis from the elements. Treatment of Mo3SSe6Br4 with Bu4NBr in a vibration mill yielded (Bu4N)(3)([Mo-3(mu(3)-S)(mu(2)-Se-2)(3)Br-6]Br} (I). Its......), was isolated and its structure determined using X-ray crystallography. W3SSe6Br4 upon reaction with H3PO2 gave a mixture of all of the [W3SxSe4-x(H2O)(9)](4+) species. After repeated chromatography, crystals of {[W-3(mu(3)-S)(mu(2)-Se)(3)(H2O)(7)Cl--(2)](2)CB[6]}Cl-4 center dot 12H(2)O (IV) were crystallized...

Raman and NMR study in MgO-doped LiNbO3 crystal

International Nuclear Information System (INIS)

Hu, L.J.; Chang, Y.H.; Chang, C.S.; Yang, S.J.; Hu, M.L.; Tse, W.S.

1991-01-01

This paper reports on the MgO-doped LiNbO 3 crystal grown and studied by NMR and Raman techniques. The solubility of MgO in the LiNbO 3 crystal is as much as 30 mole %. It is shown in NMR spectra that the number of Nb 5+ cations at A-site (Li-site) decrease as Mg concentration increased when the Mg content is lower than 5 mole %. The vibration of (NbO 6 ) octahedron and translations involving Li + and Mg 2+ cations motion can be identified by replacing Nb 5+ and Li + cations with Ta 5+ and Mg 2+ cations through Raman spectra. The 115 cm -1 and 151 cm -1 peaks are due to the translational modes of Mg 2+ and Li + cations. The doping mechanisms of MgO are proposed

Preparation of Pb(Mg1/3Nb2/3)O3 by simultaneous precipitations

International Nuclear Information System (INIS)

Juiz, S.A.; Varela, J.A.; Santilli, C.V.; Pulcinelli, S.H.; Longo, E.

1990-01-01

Pb(Mg 1/3 Nb 2/3 )O 3 was obtained by simultaneous precipitation of Pb(NO 3 ) 2' Mg(NO 3 ) 2 . 6H 2 O and NH 4 H 2 /NbO(C 2 O 4 ) 3 ./3H 2 O in alkaline medium. DTA of the precipitates show the PMN formation between 700 and 750 0 C. XRD on powder calcined at 750 0 C indicates on other phases basiders PMN. Measurements of dielectric constants shows a Curie temperature shifted to -80 0 C. (author) [pt

B-site cation order/disorder and their valence states in Ba3MnNb2O9 perovskite oxide

Science.gov (United States)

Xin, Yan; Huang, Qing; Shafieizadeh, Zahra; Zhou, Haidong

2018-06-01

Polycrystalline samples Ba3MnNb2O9 synthesized by solid state reaction and single crystal samples grown by optical floating zone have been characterized using scanning transmission electron microscopy and electron energy loss spectroscopy. Three types of B-site Mn and Nb ordering phase are observed: fully ordered 1Mn:2Nb; fully disordered; nano-sized 1Mn:1Nb ordered. No electronic structure change for crystals with different ordering/disordering. The Mn valence is determined to be 2+, and Nb valence is 5+. Oxygen 2p orbitals hybridize with Mn 3d and Nb 4d orbitals. Factors that affect the electron energy loss near edge structures of transition metal white-lines in electron energy loss spectroscopy are explicitly illustrated and discussed.

Na5NbO5 and Na5TaO5 phases

International Nuclear Information System (INIS)

Darriet, J.; Maazaz, A.; Bouloux, J.C.; Delmas, C.

1982-01-01

New ternary oxides of formulas Na 5 NbO 5 and Na 5 TaO 5 have been prepared. They crystallize in the monoclinic system (space group C2/c). The crystal structure of Na 5 NbO 5 has been determined. It derives from a NaCl-type structure by ordering of the cations and of the oxygen vacancies in the anionic sublattice, the corresponding formula being Nasub(5/6)Nbsub(1/6)Osub(5/6)vacant sub(1/6). Sodium and niobium have a distorted square-pyramidal surrounding. (author)

Shear piezoelectric coefficients of PZT, LiNbO3 and PMN-PT at cryogenic temperatures

International Nuclear Information System (INIS)

Bukhari, Syed; Islam, Md; Haziot, Ariel; Beamish, John

2014-01-01

Piezoelectric transducers are used to detect stress and to generate nanometer scale displacements but their piezoelectric coefficients decrease with temperature, limiting their performance in cryogenic applications. We have developed a capacitive technique and directly measured the temperature dependence of the shear coefficient d 15 for ceramic lead zirconium titanate (PZT), 41° X-cut lithium niobate (LiNbO 3 ) and single crystal lead magnesium niobium-lead titanate (PMN-PT). In PZT, d 15 decreases nearly linearly with temperature, dropping by factor of about 4 by 1.3 K. LiNbO3 has the smallest room temperature d15, but its value decreased by only 6% at the lowest temperatures. PMN-PT had the largest value of d15 at room temperature (2.9 × 10 −9 m/V, about 45 times larger than for LiNbO 3 ) but it decreased rapidly below 75 K; at 1.3 K, d 15 was only about 8% of its room temperature value

Preparação de LiNbO3 e LiNbO3:Eu3+ pelo método dos precursores poliméricos

Directory of Open Access Journals (Sweden)

Souza Luciana A.

2002-01-01

Full Text Available The ferroelectric compound LiNbO3 was prepared by the polymeric precursors method in the polycrystalline form containing different concentrations of Eu3+. The compounds were characterized by X-ray diffraction, vibrational and electronic spectroscopy. Electronic spectroscopy was shown to be sensitive to small concentrations of contaminating phases allowing a good control of the compound purity. The presence of Eu3+ ions leads to the formation of the LiNb3O8 phase in the range of 500 to 800 degreesC. Above this temperature range LiNbO3 and tetragonal (T' EuNbO4 were obtained.

Structural investigation and luminescence of nanocrystalline lanthanide doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Pin, Sonia [Paul Scherrer Institute, General Energy Research (ENE), Laboratory for Bioenergy and Catalysis, CH-5232 Villigen PSI (Switzerland); Piccinelli, Fabio [Dipartimento di Biotecnologie, Universita di Verona and INSTM, UdR Verona, Strada Le Grazie 15, I-37134 Verona (Italy); Upendra Kumar, Kagola [Grupo de Fotonica e Fluidos Complexos, Instituto de Fisica, Universidade Federal de Alagoas (UFAL), Maceio-AL (Brazil); Enzo, Stefano [Dipartimento di Chimica, Universita di Sassari, 07100 Sassari (Italy); Ghigna, Paolo [Dipartimento di Chimica, Universita di Pavia, V.le Taramelli 16, I-27100 Pavia (Italy); Cannas, Carla; Musinu, Anna [Dipartimento di Scienze Chimiche, Universita di Cagliari, Cittadella Universitaria Monserrato, I-09042 Cagliari (Italy); Mariotto, Gino [Dipartimento di Informatica, Universita di Verona, Strada Le Grazie 15, I-37134 Verona (Italy); Bettinelli, Marco [Dipartimento di Biotecnologie, Universita di Verona and INSTM, UdR Verona, Strada Le Grazie 15, I-37134 Verona (Italy); Speghini, Adolfo, E-mail: adolfo.speghini@univr.it [Dipartimento di Biotecnologie, Universita di Verona and INSTM, UdR Verona, Strada Le Grazie 15, I-37134 Verona (Italy)

2012-12-15

Nd{sup 3+} and Eu{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanostructured multiferroics (nanoparticles or nanorods) were prepared by a sol-gel route. X-Ray powder diffraction results evidence that the sodium and mixed sodium-potassium niobates show orthorhombic (Pmc2{sub 1} space group), and monoclinic structure (Pm space group), respectively, confirmed by the Raman spectra. The local structure around the trivalent lanthanides was investigated with Extended X-ray Absorption Fine Structure spectroscopy at the Ln-K edge and luminescence spectroscopy. The Ln{sup 3+} ions enter the structure by substituting the alkali metals, with a 12-fold oxygen coordination, and inducing a large amount of static disorder. The visible emission bands of the Eu{sup 3+} ions indicate that multiple sites exist for the lanthanide ions, in agreement with the EXAFS results showing the largest amount of static disorder in these samples. A possible indication of clustering of oxygen vacancies around the Ln{sub Na} Double-Prime defect is obtained by VBS calculations. - Graphical Abstract: Ln{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanoparticles or nanorods can be prepared by a simple sol-gel procedure. The synergy of X-ray diffraction, EXAFS and luminescence spectroscopy gives important information on the Ln{sup 3+} local environment. Highlights: Black-Right-Pointing-Pointer Nd{sup 3+} and Eu{sup 3+} doped NaNbO{sub 3} and Na{sub 0.5}K{sub 0.5}NbO{sub 3} nanoparticles or nanorods are prepared by sol-gel. Black-Right-Pointing-Pointer EXAFS indicates that the Ln{sup 3+} ions substitutes the Na{sup +} and K{sup +} ions, inducing a large amount of static disorder. Black-Right-Pointing-Pointer The visible emission bands of the Eu{sup 3+} ions confirm that multiple sites exist for the lanthanide ions.

A Comparative Study on Corrosion Behavior of Ti-35Nb-5Ta-7Zr Ti-6Al-4V and CP-Ti in 0.9 wt% NaCl

Energy Technology Data Exchange (ETDEWEB)

Saji, Viswanathan S.; Jeong, Yong Hoon; Choe, Han Cheol [Andong National University, Andong (Korea, Republic of)

2009-08-15

Recently, quaternary titanium alloys of the system Ti-Nb-Ta-Zr received considerable research considerable research interest as potential implant materials because of their excellent mechanical properties and biocompatibility. However, only few reported works were available on the corrosion behavior of such alloys. Hence, in the present work, electrochemical corrosion of Ti-35Nb-5Ta-7Zr alloy, which has been fabricated by are melting and heat treatment, was studied in 0.9 wt% NaCl at 37{+-}1 .deg. C, along with biomedical grade Ti-6Al-4V and CP-Ti. The phase and microstructure of the alloys were investigated employing XRD and SEM. The results of electrochemical studies indicated that the corrosion resistance of the quaternary alloy was inferior to that of Ti-6Al-4V and CP Ti.

Hexagonal perovskites with cationic vacancies. 21. Structure of Ba/sub 4/Nb/sub 2/WvacantO/sub 12/ and Ba/sub 3/LaNb/sub 3/vacantO/sub 12/

Energy Technology Data Exchange (ETDEWEB)

Rother, H J; Kemmler-Sack, S; Treiber, U; Cyris, W R [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-07-01

Compounds of type Ba/sub 4/M/sub 2/sup(V)WvacantO/sub 12/ and Ba/sub 3/LaM/sub 3/sup(V)vacantO/sub 12/ with Msup(V) = Nb, Ta belong to the group of rhombohedral 12 L stacking polytypes (space group R-3m, sequence (hhcc)/sub 3/). The structure determinations on powder patterns for the Nb compounds gave a refined, intensity related R' value of 6.3% (Ba/sub 4/Nb/sub 2/WvacantO/sub 12/) and 6.6% (Ba/sub 3/LaNb/sub 3/vacantO/sub 12/). The octahedral net consists of blocks of three face connected octahedra with a central void (M/sub 2/vacantO/sub 12/ unit), which are linked to each other through single corner sharing octahedra. In both compounds the M atoms in the M/sub 2/vacantO/sub 12/ groups are displaced in the direction of the central void. The A atoms move in the same direction but the dislocation for A in the hexagonal packed sheets (neighbouring the vacancies) is stronger than in the cubic packed AO/sub 3/ sheets. The results of the vibrational spectroscopic investigations are reported for Ba/sub 4/Nb/sub 2/WvacantO/sub 12/, Ba/sub 4/Ta/sub 2/WvacantO/sub 12/, Ba/sub 3/LaNb/sub 3/vacantO/sub 12/ and Ba/sub 4/CeW/sub 2/vacantO/sub 12/; they are discussed in connection with the factor group analysis.

Mechanism of luminescent enhancement in Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} perovskite by Li{sup +} co-doping

Energy Technology Data Exchange (ETDEWEB)

Rezende, Marcos Vinicius dos Santos [Departamento de Física, Universidade Federal de Sergipe, 49500-000, Itabaiana, SE (Brazil); Valério, Mario Ernesto Giroldo [Departamento de Física, Universidade Federal de Sergipe, 49100-000 São Cristóvão, SE (Brazil); Mouta, Rodolpho; Diniz, Eduardo Moraes [Departamento de Física, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Paschoal, Carlos William de Araujo, E-mail: paschoal@ufma.br [Departamento de Física, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Department of Materials Science and Engineering, University of California Berkeley, 94720-1760 Berkeley, CA (United States); Department of Physics, University of California Berkeley, 94720-7300 Berkeley, CA (United States)

2015-02-15

We investigated the Li{sup +} ion incorporation in Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} perovskite by atomistic simulations based on energy minimization. We predicted the most probable sites occupied by Eu{sup 3+} and Li{sup +} ions and the related charge-compensation mechanisms involved into these substitutions. The results show that the Eu{sup 3+} and Li{sup +} ions are incorporated mainly at the Gd{sup 3+} site. In the Li{sup +} ion case, there is a charge compensation by Nb{sub Gd}{sup •} {sup •} antisite. The crystal field parameters and the transition levels for the Eu{sup 3+} ion in the BGN:Eu{sup 3+} were calculated with basis on the simulated local symmetry of the Eu{sup 3+} site. The results show that the mechanism of luminescent properties enhancement is the symmetry distortion induced by the Li{sup +} co-doping. - Highlights: • We performed a full defect calculations in Ba{sub 2}GdNbO{sub 6} double perovskite. • We modeled with excellent agreement the optical transition of Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} crystal. • We explained the mechanism of luminescent enhancement in Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} perovskite by Li{sup +} co-doping.

Synthesis of new dithiacobaltaborane clusters derived from arachno-6,8-S2B7H9

International Nuclear Information System (INIS)

Kang, S.O.; Sneddon, L.G.

1988-01-01

A series of air-stable dithiacobaltaborane clusters has been isolated from either the reaction of the arachno-S 2 B 7 H 8 - anion with cobalt chloride and pentamethylcyclopentadienide or the reaction of neutral arachno-6,8-S 2 B 7 H 9 with cobalt atoms and pentamethylcyclopentadiene. Thus, the reaction of arachno-S 2 B 7 H 8 - with CoCl 2 and C 5 (CH 3 ) 5 - in THF gave, as the major products, the triple-decker compound nido-4,6-η-C 5 (CH 3 ) 52 Co 2 -3,5-S 2 B 2 H 2 (I) and the 11-vertex cluster nido-8,10(η-C 5 (CH 3 ) 5 ) 2 Co 2 -7,9-S 2 B 7 H 7 (III). Also isolated in smaller amounts were a chloride derivative of I, nido-1-Cl-4,6-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -3,5-S 2 B 2 H (II), two isomers of III, nido-3,10-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -7,9-S 2 B 7 H 7 (IV) and nido-3,5-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -7,9-S 2 B 7 H 7 (V), and the eight-boron cluster nido-8-(η-C 5 (CH 3 ) 5 )Co-7,9-S 2 B 8 H 8 (VI). Other trace products of the reaction included the six-boron clusters nido-5,8-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -6,9-S 2 B 6 H 6 (VII) and arachno-7-(η-C 5 (CH 3 ) 5 )Co-6,8-S 2 B 6 H 8 (VIII). Compound III was found to isomerize at 250 degree C to IV, which could then be converted to V at 300 degree C. The reaction of cobalt atoms with arachno-6,8-S 2 B 7 H 9 in the presence of pentamethylcyclopentadiene gave VIII as the major product; however, a number of other clusters including I, V, VI, and [(η-C 5 (CH 3 ) 5 ) 2 Co] + [(SB 10 H 10 ) 2 Co] - were isolated in trace amounts. 16 references, 6 figures, 3 tables

Unprecedented reduction of the uranyl ion [UO2]2+ into a polyoxo uranium(IV) cluster: synthesis and crystal structure of the first f-element oxide with a M6(micro3-O)8 core.

Science.gov (United States)

Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel

2005-07-21

The smooth comproportionation reaction of the U(VI) and U(III) complexes UO2(OTf)2 and U(OTf)3, afforded the hexanuclear U(IV) oxide cluster [U6(micro3-O)8(micro2-OTf)8(py)8], a rare example of a metal oxide with a M6(micro3-O)8 core.

Infrared absorption of CH3OSO and CD3OSO radicals produced upon photolysis of CH3OS(O)Cl and CD3OS(O)Cl in p-H2 matrices

International Nuclear Information System (INIS)

Lee, Yu-Fang; Kong, Lin-Jun; Lee, Yuan-Pern

2012-01-01

Irradiation at 239 ± 20 nm of a p-H 2 matrix containing methoxysulfinyl chloride, CH 3 OS(O)Cl, at 3.2 K with filtered light from a medium-pressure mercury lamp produced infrared (IR) absorption lines at 3028.4 (attributable to ν 1 , CH 2 antisymmetric stretching), 2999.5 (ν 2 , CH 3 antisymmetric stretching), 2950.4 (ν 3 , CH 3 symmetric stretching), 1465.2 (ν 4 , CH 2 scissoring), 1452.0 (ν 5 , CH 3 deformation), 1417.8 (ν 6 , CH 3 umbrella), 1165.2 (ν 7 , CH 3 wagging), 1152.1 (ν 8 , S=O stretching mixed with CH 3 rocking), 1147.8 (ν 9 , S=O stretching mixed with CH 3 wagging), 989.7 (ν 10 , C-O stretching), and 714.5 cm -1 (ν 11 , S-O stretching) modes of syn-CH 3 OSO. When CD 3 OS(O)Cl in a p-H 2 matrix was used, lines at 2275.9 (ν 1 ), 2251.9 (ν 2 ), 2083.3 (ν 3 ), 1070.3 (ν 4 ), 1056.0 (ν 5 ), 1085.5 (ν 6 ), 1159.7 (ν 7 ), 920.1 (ν 8 ), 889.0 (ν 9 ), 976.9 (ν 10 ), and 688.9 (ν 11 ) cm -1 appeared and are assigned to syn-CD 3 OSO; the mode numbers correspond to those used for syn-CH 3 OSO. The assignments are based on the photolytic behavior and a comparison of observed vibrational wavenumbers, infrared intensities, and deuterium isotopic shifts with those predicted with the B3P86/aug-cc-pVTZ method. Our results extend the previously reported four transient IR absorption bands of gaseous syn-CH 3 OSO near 2991, 2956, 1152, and 994 cm -1 to 11 lines, including those associated with C-O, O-S, and S=O stretching modes. Vibrational wavenumbers of syn-CD 3 OSO are new. These results demonstrate the advantage of a diminished cage effect of solid p-H 2 such that the Cl atom, produced via UV photodissociation of CH 3 OS(O)Cl in situ, might escape from the original cage to yield isolated CH 3 OSO radicals.

Infrared absorption of CH3OSO and CD3OSO radicals produced upon photolysis of CH3OS(O)Cl and CD3OS(O)Cl in p-H2 matrices.

Science.gov (United States)

Lee, Yu-Fang; Kong, Lin-Jun; Lee, Yuan-Pern

2012-03-28

Irradiation at 239 ± 20 nm of a p-H(2) matrix containing methoxysulfinyl chloride, CH(3)OS(O)Cl, at 3.2 K with filtered light from a medium-pressure mercury lamp produced infrared (IR) absorption lines at 3028.4 (attributable to ν(1), CH(2) antisymmetric stretching), 2999.5 (ν(2), CH(3) antisymmetric stretching), 2950.4 (ν(3), CH(3) symmetric stretching), 1465.2 (ν(4), CH(2) scissoring), 1452.0 (ν(5), CH(3) deformation), 1417.8 (ν(6), CH(3) umbrella), 1165.2 (ν(7), CH(3) wagging), 1152.1 (ν(8), S=O stretching mixed with CH(3) rocking), 1147.8 (ν(9), S=O stretching mixed with CH(3) wagging), 989.7 (ν(10), C-O stretching), and 714.5 cm(-1) (ν(11), S-O stretching) modes of syn-CH(3)OSO. When CD(3)OS(O)Cl in a p-H(2) matrix was used, lines at 2275.9 (ν(1)), 2251.9 (ν(2)), 2083.3 (ν(3)), 1070.3 (ν(4)), 1056.0 (ν(5)), 1085.5 (ν(6)), 1159.7 (ν(7)), 920.1 (ν(8)), 889.0 (ν(9)), 976.9 (ν(10)), and 688.9 (ν(11)) cm(-1) appeared and are assigned to syn-CD(3)OSO; the mode numbers correspond to those used for syn-CH(3)OSO. The assignments are based on the photolytic behavior and a comparison of observed vibrational wavenumbers, infrared intensities, and deuterium isotopic shifts with those predicted with the B3P86∕aug-cc-pVTZ method. Our results extend the previously reported four transient IR absorption bands of gaseous syn-CH(3)OSO near 2991, 2956, 1152, and 994 cm(-1) to 11 lines, including those associated with C-O, O-S, and S=O stretching modes. Vibrational wavenumbers of syn-CD(3)OSO are new. These results demonstrate the advantage of a diminished cage effect of solid p-H(2) such that the Cl atom, produced via UV photodissociation of CH(3)OS(O)Cl in situ, might escape from the original cage to yield isolated CH(3)OSO radicals.

Structural evolution of Ba8Ti3Nb4O24 from BaTiO3 using a series of Ba(Ti1−5xNb4x)O3 solid solutions

International Nuclear Information System (INIS)

Barrientos Hernández, F.R.; Lira Hernández, I.A.; Gómez Yáñez, C.; Arenas Flores, A.; Cabrera Sierra, R.; Pérez Labra, M.

2014-01-01

Highlights: • The evolution phase Ba 8 Ti 3 Nb 4 O 24 was obtained through the mechanism Ba(Ti 1-5x Nb 4x )O 3 . • Addition of niobium can accelerate grain growth of BaTiO 3 ceramics. • Ba 8 Ti 3 Nb 4 O 24 presents a dielectric loss of 0.0035 and permittivity value of 54.6. • Electrical measurements showed that Nb 5+ content drops Curie temperature. • Samples with x ⩾ 0.0625 shows an insulating behavior. -- Abstract: In this work, the structural evolution of hexagonal phase Ba 8 Ti 3 Nb 4 O 24 by adding Nb 2 O 5 to perovskite structure of BaTiO 3 was investigated. The compositions Ba(Ti 1-5x Nb 4x )O 3 ceramics, with 0.00025 ⩽ x ⩽ 0.125 were prepared by the conventional solid state route in air atmosphere, the powders precursors, BaTiO 3 , BaCO 3 and Nb 2 O 5 , were mixed in stoichiometric proportions and ground in a ball mill using alumina balls and acetone. The mixed powders were calcined at temperatures up to 1500 °C. The phase transformation of Ba 8 Ti 3 Nb 4 O 24 from BaTiO 3 was studied by DRX, Raman spectroscopy, SEM, electrical measurements (relative permittivity and P–E hysteresis loops); Rietveld’s refinement was used to structurally characterize the samples. For the devices obtained capacitance was measured at 1 kHz; with these values we calculated the relative permittivity. The samples show typical P–E hysteresis loops at room temperature accompanied by saturation polarization (Ps) and remnant polarization (Pr). The DRX and Rietveld’s refinement results show x ⩽ 0.01 has a ferroelectric behavior. When the doped level is increased x ⩾ 0.02, a peak displacement is observed, this is due to the phase transformation of tetragonal to cubic into the unit cell. Finally, with x = 0.125 the crystal structure transforms to the characteristic hexagonal phase Ba 8 Ti 3 Nb 4 O 24 which resonates at microwave frequencies

Role of alkali carbonate and salt in topochemical synthesis of K1/2Na1/2NbO3 and NaNbO3 templates

Science.gov (United States)

Lee, Jae-Seok; Jeon, Jae-Ho; Choi, Si-Young

2013-11-01

Since the properties of lead-free piezoelectric materials have thus far failed to meet those of lead-based materials, either chemical doping or morphological texturing should be employed to improve the piezoelectric properties of lead-free piezoelectric ceramics. The goal of this study was to synthesize plate-like K1/2Na1/2NbO3 and NaNbO3 particles, which are the most favorable templates for morphological texturing of K1/2Na1/2NbO3 ceramics. To achieve this goal, Bi2.5Na3.5Nb5O18 precursors in a plate-like shape were first synthesized and subsequently converted into K1/2Na1/2NbO3 or NaNbO3 particles that retain the morphology of Bi2.5Na3.5Nb5O18. In this study, we found that sodium or potassium carbonate does not play a major role in converting the Bi2.5Na3.5Nb5O18 precursor to K1/2Na1/2NbO3 or NaNbO3, on the contrary to previous reports; however, the salt contributes to the conversion reaction. All synthesis processes have been performed via a molten salt method, and scanning electron microscopy, scanning probe microscopy, and inductively coupled plasma mass spectroscopy were used to characterize the synthesized K1/2Na1/2NbO3 or NaNbO3 templates.

Collinear Order in Frustrated Quantum Antiferromagnet on Square Lattice (CuBr)LaNb2O7

Science.gov (United States)

Oba, Noriaki; Kageyama, Hiroshi; Kitano, Taro; Yasuda, Jun; Baba, Yoichi; Nishi, Masakazu; Hirota, Kazuma; Narumi, Yasuo; Hagiwara, Masayuki; Kindo, Koichi; Saito, Takashi; Ajiro, Yoshitami; Yoshimura, Kazuyoshi

2006-11-01

Magnetic susceptibility, heat capacity, high-field magnetization and neutron diffraction measurements have been performed on a two-dimensional S = 1/2 square-lattice system (CuBr)LaNb2O7, prepared by a topotactic ion-exchange reaction of a nonmagnetic double-layered perovskite RbLaNb2O7. (CuBr)LaNb2O7 exhibits a second-order magnetic transition at 32 K, in marked contrast to a spin-singlet nature for its Cl-based counterpart (CuCl)LaNb2O7, despite nearly identical structural parameters. The magnetic structure is a novel collinear antiferromagnetic (CAF) ordering characterized by a modulation vector q = (π, 0, π) with a reduced moment of 0.6μB. Mixed ferromagnetic nearest-neighbor (J1) and antiferromagnetic second-nearest-neighbor (J2) interactions are of comparable strength (J1/kB = -35.6 K and J2/kB = 41.3 K), placing the system in a more frustrated region of the CAF phase than ever reported.

Ferroelectric BaTiO3 and LiNbO3 Nanoparticles Dispersed in Ferroelectric Liquid Crystal Mixtures: Electrooptic and Dielectric (Postprint)

Science.gov (United States)

2016-10-14

strength for non- doped LF4 and LiNbO3/LF4 nanocolloids at temperature 30C. 146 R. K . SHUKLA ET AL. 6 Distribution A. Approved for public release (PA...AFRL-RX-WP-JA-2017-0210 FERROELECTRIC BaTiO3 AND LiNbO3 NANOPARTICLES DISPERSED IN FERROELECTRIC LIQUID CRYSTAL MIXTURES: ELECTROOPTIC...COMMAND UNITED STATES AIR FORCE Ferroelectric BaTiO3 and LiNbO3 nanoparticles dispersed in ferroelectric liquid crystal mixtures: Electrooptic and

Note: High-power piezoelectric transformer fabricated with ternary relaxor ferroelectric Pb(Mg(1/3)Nb(2/3))O3-Pb(In(1/2)Nb(1/2))O3-PbTiO3 single crystal.

Science.gov (United States)

Wang, Qing; Ma, Chuanguo; Wang, Feifei; Liu, Bao; Chen, Jianwei; Luo, Haosu; Wang, Tao; Shi, Wangzhou

2016-03-01

A plate-shaped piezoelectric transformer was designed and fabricated using ternary relaxor ferroelectric single crystal Pb(Mg(1/3)Nb(2/3))O3-Pb(In(1/2)Nb(1/2))O3-PbTiO3. Both the input and output sections utilized the transverse-extensional vibration mode. The frequency and load dependences of the electrical properties for the proposed transformer were systematically studied. Results indicated that under a matching load resistance of 14.9 kΩ, a maximum output power of 2.56 W was obtained with the temperature rise less than 5 °C. The corresponding power density reached up to 50 W/cm(3). This ternary single-crystal transformer had potential applications in compact-size converters requiring high power density.

Local hysteresis and grain size effect in Pb(Mg1/3Nb2/3)O3- PbTiO3 thin films

Science.gov (United States)

Shvartsman, V. V.; Emelyanov, A. Yu.; Kholkin, A. L.; Safari, A.

2002-07-01

The local piezoelectric properties of relaxor ferroelectric films of solid solutions 0.9Pb(Mg1/3Nb2/3)O3- 0.1PbTiO3 were investigated by scanning force microscopy (SFM) in a piezoelectric contact mode. The piezoelectric hysteresis loops were acquired in the interior of grains of different sizes. A clear correlation between the values of the effective piezoelectric coefficients, deff, and the size of the respective grains is observed. Small grains exhibit slim piezoelectric hysteresis loops with low remanent deff, whereas relatively strong piezoelectric activity is characteristic of larger grains. Part of the grains (approx20-25%) is strongly polarized without application of a dc field. The nature of both phenomena is discussed in terms of the internal bias field and grain size effects on the dynamics of nanopolar clusters.

Topotactic dehydration of the lamellar oxide HK2Ti5NbO14 x H2O: the oxide K4Ti10Nb2O27

International Nuclear Information System (INIS)

Grandin, A.; Borel, M.M.; Hervieu, M.; Raveau, B.

1987-01-01

The lamellar oxide HK 2 Ti 5 NbO 14 x H 2 O can be topotactically dehydrated to K 4 Ti 10 Nb 2 O 27 . Electron diffraction and X-ray diffraction studies of this phase lead to a monoclinic cell with the parameters a = 17.005, b = 3.78, c = 9.01 A and β 92.14 0 . Diffusion streaks on the electron diffraction patterns indicate disorder whereas the existence of two sets of lattices on the same crystal give evidence of the topotactic character of the reaction. A structural model is proposed for K 4 Ti 10 Nb 2 O 27 , which corresponds to the intergrowth of K 3 TiNbO 14 layers with the K 2 Ti 6 O 13 tunnel structure. The possibility of formation of various intergrowths such as (KTi 5 NbO 13 )/sub n/ (HK 2 Ti 5 NbO 14 )/sub n/' is suggested

Tailoring order–disorder temperature and microwave dielectric properties of Ba[(Co0.6Zn0.41/3Nb2/3]O3 ceramics

Directory of Open Access Journals (Sweden)

Tu Lai Sun

2016-03-01

Full Text Available The order–disorder temperature (To–d of Ba[(Co0.6Zn0.41/3Nb2/3]O3 ceramics was determined via X-ray diffraction, Raman spectroscopy and differential thermal analysis, respectively. To–d was determined to be between 1425 and 1450 °C by a quenching method. The endothermic peak in the DTA curve shows the order–disorder transition. B2O3 was applied to tune the densification temperature (Ts and tailor the microwave dielectric properties. The ordering degree and unloaded quality factor (Qf are improved when Ts is reduced to 1400 °C at B2O3 content of 0.25 mol%. Ts is further decreased and the ordering degree and Qf are decreased when B2O3 content is increased to 0.5 mol%. The dielectric constant (εr and temperature coefficient of resonant frequency (τf decrease slightly with increasing B2O3 content. The optimum microwave dielectric properties (i.e., εr = 34.0, Qf = 50,400 GHz, τf = 5.5 × 10−6/°C are obtained for the Ba[(Co0.6Zn0.41/3Nb2/3]O3-0.25 mol% B2O3 ceramics sintered at a lower temperature.

Effect of thermo-mechanical processing on microstructure and mechanical properties of U - Nb - Zr alloys: Part 2 - U - 3 wt % Nb - 9 wt % Zr and U - 9 wt% Nb - 3 wt% Zr

Science.gov (United States)

Morais, Nathanael Wagner Sales; Lopes, Denise Adorno; Schön, Cláudio Geraldo

2018-04-01

The present work is the second and final part of an extended investigation on Usbnd Nb - Zr alloys. It investigates the effect of mechanical processing routes on microstructure of alloys U - 3 wt % Nb - 9 wt % Zr and U - 9 wt% Nb - 3 wt% Zr, through X-ray diffraction and scanning electron microscopy, completing the investigation, which started with alloy U - 6 wt% Nb - 6 wt% Zr in part 1. Mechanical properties are determined using microhardness and bending tests and correlated with the developed microstructures. The results show that processing sequence, in particular the inclusion of a 1000 °C heat treatment step, affects significantly the microstructure and mechanical properties of these alloys alloy in different ways. Microstructural characterization shows that both alloys present significant volume fraction of precipitates of a body-centered cubic (BCC) γ-Nb-Zr rich phase in addition the uranium-rich matrix. Bending tests show that sample ductility does not correlate necessarily with hardness and that the key factor appears to be the amount of the γ-Nb-Zr precipitates, which controls the matrix microstructure. Samples with a monoclinic α″ cellular microstructure and/or with the tetragonally-distorted BCC phase (γ0), although not strictly ductile, showed the largest allowed strains-before-break and complete elastic recovery of the broken pieces, pointing out to the macroscopic observation of superelasticity.

H-D exchange in metal carbene complexes: Structure of cluster (μ-H)(μ-OCD3)Os3(CO)9{:C(CD3)NC2H8O}

Science.gov (United States)

Savkov, Boris; Maksakov, Vladimir; Kuratieva, Natalia

2015-10-01

X-ray and spectroscopic data for the new complex (μ-H)(μ-OCH3)Os3(CO)9{:C(CD3)NC2H8O} (2) obtained in the reaction of the (μ-H)(μ-Cl)Os3(CO)9{:C(CH3)NC2H8O} (1) with NaOCD3 in CD3OD solution are reported. It is shown that cluster 1 has the property of CH-acidity inherent of Fisher type carbenes. This had demonstrated using hydrogen deuterium exchange reaction in the presence of a strong base. Bridging chlorine to metoxide ligand substitution takes place during the reaction. The molecular structure of 2 is compared with known analogues.

Synthesis, structural characterization and dielectric properties of Nb doped BaTiO3/SiO2 core–shell heterostructure

International Nuclear Information System (INIS)

Cernea, M.; Vasile, B.S.; Boni, A.; Iuga, A.

2014-01-01

Highlights: • Optimal parameters for preparation by sol–gel of core–shell (BT-Nb 0.005 )/SiO 2 are presented in this paper. • Single crystalline BT-Nb 0.005 /SiO 2 core–shell composite with ∼34 nm shell thick was prepared. • The core–shell ceramic exhibits good dielectric properties and ferroelectric characteristics. -- Abstract: Perovskite complex ceramic oxides, BaTiO 3 doped with 0.5 mol%Nb 2 O 5 and then nanocoated with SiO 2 (abbreviated as BT-Nb 0.005 /SiO 2 ) was successful prepared using conventional sol–gel processing. Phase composition, particle morphology, structure, and electric properties of BT-Nb 0.005 core and BT-Nb 0.005 /SiO 2 core–shell were examined and compared, using X-ray diffraction, transmission electron microscopy and, dielectric and ferroelectric measurements. Core–shell composite with well-defined perovskite tetragonal phase of BaTiO 3 was achieved. Furthermore, single crystalline BT-Nb 0.005 /SiO 2 core–nanoshell heterostructure with ∼34 nm shell thick was prepared, which is a novelty in ferroelectrics field. The ferroelectric quality of BT-Nb 0.005 has suffered an alteration when the (BT-Nb 0.005 )/SiO 2 core–shell heterostructure was realized. One-dimensional BT-Nb 0.005 /SiO 2 core–shell heterostructure exhibits an improvement of dielectric losses and a decrease of dielectric constant, compared to uncoated BT-Nb 0.005 . The (BT-Nb 0.005 )/SiO 2 core–shell material could be interesting for application in the composite capacitors

A combined diffraction and dielectric properties investigation of Ba3MnNb2O9 complex perovskites

International Nuclear Information System (INIS)

Liu Yun; Withers, Ray L.; Whichello, A.P.; Noren, Lasse; Ting, Valeska; Brink, Frank; Fitz Gerald, John D.

2005-01-01

A combined synthesis, diffraction and dielectric properties investigation of the dependence (and effect) of Mn 2+ /Nb 5+ ordering in Ba 3 MnNb 2 O 9 (BMN) upon annealing atmosphere and processing conditions has been carried out. Annealing in different atmospheres was not found to significantly alter either nominal stoichiometry or structure type. The obtained structure type (disordered metrically cubic or ordered trigonal) as well as the measured electrical properties (in particular, the dielectric loss) were, however, found to be sensitive to the synthesis route. Samples obtained via solid-state reaction were found to be predominantly of 1:2 Mn 2+ /Nb 5+ ordered, P3-bar m1 trigonal structure type whereas samples obtained via an aqueous solution route were found to be of a Mn 2+ /Nb 5+ 'disordered', metrically cubic structure type. All solid-state synthesized samples showed reasonable dielectric properties. The microwave dielectric constant and dielectric quality factor, Q, at 8GHz of an as-synthesized BMN sample were 38 and 100, respectively. By contrast, the dielectric loss of the metrically cubic, Mn 2+ /Nb 5+ 'disordered' samples obtained via an aqueous solution synthesis process were significantly worse

Hexagonal perovskites with cationic vacancies. 15. Ba/sub 9/Nb/sub 6/Wvacant/sub 2/O/sub 27/ - the first perovskite stacking polytype of rhombohedral 27 L-type

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-02-01

The perovskite stacking polytype Ba/sub 9/Nb/sub 6/sup(V)Wsup(VI)vacant/sub 2/O/sub 27/ (white) is the first representative of a rhombohedral 27 L-type. The lattice parameters (trigonal setting) are: a = 5.79/sub 3/ A; c = 63.4/sub 1/ A; Z = 3 (rhosub(exp) = 6.4/sub 6/ g/cm/sup 3/; rhosub(calc) = 6.51/sub 2/ g/cm/sup 3/). The corresponding Tasup(V)-compound is isotypic; it tends to develop stacking faults.

Host-sensitized luminescence properties in CaNb2O6:Ln(3+) (Ln(3+) = Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+)) phosphors with abundant colors.

Science.gov (United States)

Li, Kai; Liu, Xiaoming; Zhang, Yang; Li, Xuejiao; Lian, Hongzhou; Lin, Jun

2015-01-05

A series of Ln(3+) (Ln(3+) = Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+)) ion doped CaNb2O6 (CNO) phosphors have been prepared via the conventional high-temperature solid-state reaction route. The X-ray diffraction (XRD) and structure refinement, diffuse reflection, photoluminescence (PL), and fluorescent decay curves were used to characterize the as-prepared samples. Under UV radiation, the CNO host present a broad emission band from about 355 to 605 nm centered around 460 nm originating from the NbO6 octahedral groups, which has spectral overlaps with the excitation of f-f transitions of Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+) in CNO:Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+) samples. They show both host emission and respective emission lines derived from the characteristic f-f transitions of activators, which present different emission colors owing to the energy transfer from the NbO6 group in the host to Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+) with increasing activator concentrations. The decreases of decay lifetimes of host emissions in CNO:Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+) demonstrate the energy transfer from the hosts to Eu(3+)/Tb(3+)/Dy(3+)/Sm(3+). The energy transfer mechanisms in CNO:Eu(3+)/Tb(3+)/Dy(3+) phosphors have been determined to be a resonant type via dipole-dipole mechanisms. For CNO:Sm(3+), the metal-metal charge transfer transition (MMCT) might contribute to the different variations of decay lifetimes and emission intensity from CNO:Eu(3+)/Tb(3+)/Dy(3+) samples. The best quantum efficiency is 71.2% for CNO:0.01/0.02Dy(3+). The PL properties of as-prepared materials indicate the promising application in UV-pumped white-emitting lighting diodes field.

Collinear order in frustrated quantum antiferromagnet on square lattice (CuBr)LaNb2O7

International Nuclear Information System (INIS)

Oba, Noriaki; Kageyama, Hiroshi; Kitano, Taro

2006-01-01

Magnetic susceptibility, heat capacity, high-field magnetization and neutron diffraction measurements have been performed on a two-dimensional s=1/2 square-lattice system (CuBr)LaNb 2 O 7 , prepared by a topotactic ion-exchange reaction of a nonmagnetic double-layered perovskite RbLaNb 2 O 7 . (CuBr)LaNb 2 O 7 exhibits a second-order magnetic transition at 32K, in marked contrast to a spin-singlet nature for its Cl-based counterpart (CuCl)LaNb 2 O 7 , despite nearly identical structural parameters. The magnetic structure is a novel collinear antiferromagnetic (CAF) ordering characterized by a modulation vector q=(π, 0, π) with a reduced moment of 0.6μ B . Mixed ferromagnetic nearest-neighbor (J 1 ) and antiferromagnetic second-nearest-neighbor (J 2 ) interactions are of comparable strength (J 1 /k B =-35.6K and J 2 /k B =41.3K), placing the system in a more frustrated region of the CAF phase than ever reported. (author)

Study of NaBH4 reaction with RhCl3·4H2O and H2PtCl6·6H2O in dimethylformamide

International Nuclear Information System (INIS)

Khain, V.S.; Val'kova, V.P.

1988-01-01

Data on study of NaBH 4 reactions with RhCl 3 x4H 2 O and H 2 PtCl 6 x6H 2 O in dimethylformamide, which is a good solvent of both complex hydride and compounds of platinum metals are presented. Rhodium (3) and platinum (4) reduction by sodium tetrahydridoborate in dimethylformamide proceeds quantitatively up to element state. Depositions of powder-like rhodium and platinum or their sols stable up to 8 months are formed depending on the ratio of concentrations of the reacting substances. Stoichiometry of redox-reactions is established based on spectrophotometric, gasovolumetric measurements,

Preparation and Characteristics of Ultrasonic Transducers for High Temperature Using PbNb2O6

Science.gov (United States)

Soejima, Junichiro; Sato, Kokichi; Nagata, Kunihiro

2000-05-01

The substance PZT(Pb(Zr, Ti)O3) is chiefly used for piezoceramic transducers in many ultrasonic flow meters. It is difficult to use PZT transducers for flow meters for automobile exhaust gas at high temperatures over 350°C. Lead niobate (PbNb2O6) has a high Curie temperature of 540°C and a low mechanical quality factor, and is the most suitable as the sensor element in flow meters for automobile exhaust gas. However, it is difficult to fabricate dense PbNb2O6 ceramics that have good piezoelectric properties. In this study, ceramics with high density and a high piezoelectric effect were fabricated by adding various elements such as Mn and Ca to PbNb2O6 and by examining the sintering process. A Langevin transducer with a resonance frequency of 80 kHz was made for measuring automobile exhaust gas flow using PbNb2O6 ceramics.

The system K2NbF7-K2TiF6-KCl

International Nuclear Information System (INIS)

Kamenskaya, L.A.; Matveev, A.M.

1984-01-01

Using visual-polythermal and thermographical methods the ternary system K 2 NbF 7 -K 2 TiE 6 -KCl has been studied. Crystallization fields of initial components and the field of solid solutions of double compounds K 3 NbClF 7 and K 3 TiClF 6 are outlined. Ternary eutectics at 654 deg C, having the composition K 2 NbF 6 -41, K 2 TiP 6 -41, KCl-18 mol.%, is determined. Potassium fluoroniobate and fluorotitanate form continuous solid solutions unstable in the presence of the third component, potassium chloride

Improvement of the phase diagram for the pseudobinary PbNb2O6-BaNb2O6 system

International Nuclear Information System (INIS)

Venet, M.; Zabotto, F. L.; Eiras, J. A.; Garcia, D.

2009-01-01

Characteristics of phase transitions of lead barium niobate compositions around the morphotropic phase boundary were investigated. Using structural characterizations, it was found that the morphotropic phase boundary extends toward a wide composition range, in which both tetragonal (4mm) and orthorhombic (m2m) tungsten bronze phases coexist. In addition, on heating, two phase transitions were observed for all the studied compositions. First, the fraction with m2m symmetry phase transforms into the 4mm symmetry one and, second, the 4mm symmetry phase, which represents the whole material, transforms into the paraelectric phase (4/mmm symmetry). The phase transition temperatures were determined from dielectric characterizations. These results helped to improve the phase diagram of the pseudobinary PbNb 2 O 6 -BaNb 2 O 6 system around the morphotropic phase boundary region.

Phosphotungstic acid binding in situ to K4Nb6O17 for the effective adsorption-photocatalytic removal of tetracycline

Science.gov (United States)

Gu, Huimin; Lang, Junyu; Ma, Yuli; Gu, Huayu; Song, Yanyong; Chai, Zhanli; Li, Guangshe; Wang, Xiaojing

2018-05-01

In this investigation, phosphotungstic acid (H3PW12O40) was successfully self-assembly implanted into the interspace of K4Nb6O17 nanosheet via an impregnation method to form an adsorption-photocatalytic composite, in which n-type semiconductor K4Nb6O17 was selected as photo-electron emitter and H3PW12O40 was particularly used as an electronic transmitter. By characterizing with X-ray diffraction (XRD), transmission (TEM), scan electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and FT-IR spectrum (FT-IR), it confirmed that H3PW12O40 (HPW) was converted to the insoluble tiny particles of K3PW12O40 (KPW) with the remained primary Keggin group via an ion-exchanged H+ of HPW with K+ in K4Nb6O17 in the implanted process and was firmly bound to the surface of K4Nb6O17 to form well sandwich structure. UV-vis diffuse reflectance spectroscopy revealed that the band gap of K4Nb6O17-K3PW12O40 have a slight red shift compared with the single K4Nb6O17. Its adsorption-photocatalytic properties were evaluated with the removal of tetracycline as model reaction. Compared with pure K4Nb6O17, tetracycline removal rate can be significantly improved for the as-prepared sandwich. Importantly, the removal could still maintain 70% after five reuses in recycle tests at an acidic solution, inferring a good stability which was mainly ascribed to the formation of water-insoluble K3PW12O40. The separation and transfer process of photogenerated electrons were investigated by surface photovoltage spectroscopy (SPV). It proposed that the KPW anchored firmly on the interlayers of K4Nb6O17 through a O-K-O bridge plays a significantly role in promoting the separation of the photogenerated carriers and preventing the leakage and agglomeration of HPW. The present results showed that the strategy of the phosphotungstic acid binding in situ to K4Nb6O17 was favorable to promote the hetero-photocatalytic efficiency as well as reusability. [Figure not available: see fulltext.

A study on the superconducting properties of YBa{sub 2}Cu{sub 9-x}Nb{sub x}O{sup y} thin films

Energy Technology Data Exchange (ETDEWEB)

Srinivas, S.; Bhatnagar, A.K. [Univ. of Hyderabad (India); Pinto, R. [Solid State Electronics Group, Bombay (India)] [and others

1994-12-31

Effect of niobium substitution at the copper site in YBa{sub 2}Cu{sub 9}O{sub 7-x} was studied in thin film form. The films were deposited by laser ablation technique using the targets of the YBa{sub 2}Cu{sub 3-x}Nb{sub x}O{sub y} where x = 0.0, 0.025, 0.05, 0.1, 0.2, 0.4, 0.8 and 1.0 under identical deposition conditions on SrTiO{sub 9} <100> substrates. Films were characterized by XRD, resistivity, I-V and J{sub c} measurements. Films made from x = 0.025 and 0.05 concentrations of Nb substituted targets showed relatively improved superconducting properties compared to that of undoped films. The best 7 realized for x = 0.025 Nb concentration was 1.8 x 10{sup {sigma}} A/cm{sup 2} and for 0.05 Nb concentration it was 3.2x10{sup {sigma}} A/cm{sup 2} at 77K. However, degradation of the superconducting properties, with the increase of x {ge} 0.1 Nb concentration and drastic suppression and complete loss of superconductivity was noticed for x {ge} 0.4. The growth of impurity phase YBa{sub 2}NbO{sub 6} for x = 0.1 and above of Nb concentration was noticed from XRD patterns. However, the site occupancy of Nb could not be confirmed from these studies.

Host-Sensitized and Tunable Luminescence of GdNbO4:Ln3+ (Ln3+ = Eu3+/Tb3+/Tm3+) Nanocrystalline Phosphors with Abundant Color.

Science.gov (United States)

Liu, Xiaoming; Chen, Chen; Li, Shuailong; Dai, Yuhua; Guo, Huiqin; Tang, Xinghua; Xie, Yu; Yan, Liushui

2016-10-17

Up to now, GdNbO 4 has always been regarded as an essentially inert material in the visible region with excitation of UV light and electron beams. Nevertheless, here we demonstrate a new recreating blue emission of GdNbO 4 nanocrystalline phosphors with a quantum efficiency of 41.6% and host sensitized luminescence in GdNbO 4 :Ln 3+ (Ln 3+ = Eu 3+ /Tb 3+ /Tm 3+ ) nanocrystalline phosphors with abundant color in response to UV light and electron beams. The GdNbO 4 and GdNbO 4 :Ln 3+ (Ln 3+ = Eu 3+ /Tb 3+ /Tm 3+ ) nanocrystalline phosphors were synthesized by a Pechini-type sol-gel process. With excitation of UV light and low-voltage electron beams, the obtained GdNbO 4 nanocrystalline phosphor presents a strong blue luminescence from 280 to 650 nm centered around 440 nm, and the GdNbO 4 :Ln 3+ nanocrystalline phosphors show both host emission and respective emission lines derived from the characterize f-f transitions of the doping Eu 3+ , Tb 3+ , and Tm 3+ ions. The luminescence color of GdNbO 4 :Ln 3+ nanocrystalline phosphors can be tuned from blue to green, red, blue-green, orange, pinkish, white, etc. by varying the doping species, concentration, and relative ratio of the codoping rare earth ions in GdNbO 4 host lattice. A single-phase white-light-emission has been realized in Eu 3+ /Tb 3+ /Tm 3+ triply doped GdNbO 4 nanocrystalline phosphors. The luminescence properties and mechanisms of GdNbO 4 and GdNbO 4 :Ln 3+ (Ln 3+ = Eu 3+ /Tb 3+ /Tm 3+ ) are updated.

Ba3NbAs3O: synthesis, crystal structure, Raman spectroscopy and bonding analysis

International Nuclear Information System (INIS)

Monconduit, L.; Tillard, M.; Favier, F.; Belin, C.

1999-01-01

The crystal structure of Ba 3 NbAs 3 O has been solved by crystal X-ray analysis (CAD-4 automatic diffractometer, Mo Kα radiation). The compound crystallizes in space group Pnma, a=6.724(2), b=11.100(2), c=13.462(3) A, V=1004.7(4) A 3 , Z=4. The structure has been refined to R1=0.0343 for 964 independent reflections, it can be described as packing of nearly tetrahedral NbAs 3 O 6- anions, their coordination by Ba 2+ cations forming interconnected trigonal prisms. The chemical bonding has been analyzed by MO calculations and Raman spectroscopy. (orig.)

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

Science.gov (United States)

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

2017-10-01

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

Piezoelectric properties enhanced of Sr0.6(BiNa)0.2Bi2Nb2O9 ceramic by (LiCe) modification with charge neutrality

International Nuclear Information System (INIS)

Fang, Pinyang; Xi, Zengzhe; Long, Wei; Li, Xiaojuan; Li, Jin

2013-01-01

Graphical abstract: The oxygen vacancies were confirmed by the left figure. The role of oxygen vacancy on piezoelectric activities was obtained by comparing to the varieties of oxygen vacancy concentration and piezoelectric coefficient with (LiCe) modification. -- Highlights: • The Sr 0.6 (BiNa) 0.2 Bi 2 Nb 2 O 9 ceramic by (LiCe) modification with the charge neutrality was synthesized by the solid state reaction method. • The Curie temperature and piezoelectric coefficient were found to be T c ∼590 °C and d 33 ∼32 pC/N, respectively. • The mechanism of piezoelectric activities improved by (LiCe) modification was discussed. -- Abstract: Aurivillius-type ceramics, Sr 0.6−x (LiCe) x/2.5 (BiNa) 0.2 Bi 2 Nb 2 O 9 (SLCBNBNO) with the charge neutrality, were synthesized by using conventional solid-state processing. Phase analysis was performed by X-ray diffraction analyses (XRD) and Raman spectroscopy. Microstructural morphology was assessed by the scanning electron microscopy (SEM). Structural, dielectric, piezoelectric, ferroelectric, and electromechanical properties of the SLCBNBNO ceramics were investigated. Piezoelectric properties were significantly enhanced compared to Sr 0.6 (BiNa) 0.2 Bi 2 Nb 2 O 9 (SBNBN) ceramic and the maximum of piezoelectric coefficient d 33 of the SBNBN-LC6 ceramic was 32 pC/N with higher Curie temperature (T c ∼590 °C). In addition, mechanisms for the piezoelectric properties enhanced of the SBNBN-based ceramics were discussed

Superconductivity of Hg3NbF6 and Hg3TaF6

International Nuclear Information System (INIS)

Datars, W.R.; Morgan, K.R.; Gillespie, R.J.

1983-01-01

Low-temperature ac susceptibility measurements show that two new metallic compounds, Hg 3 TaF 6 and Hg 3 NbF 6 , are superconductors with a critical temperature of 7.0 K. Critical fields are 20% higher in Hg 3 TaF 6 but the temperature dependence of the critical field of the compounds is very similar down to 1.35 K. The critical field extrapolated to T = 0 K is 0.17 T for Hg 3 TaF 6 and 0.13 T for Hg 3 NbF 6

Preparation of textured Bi3TiNbO9 ceramics

International Nuclear Information System (INIS)

Zhou Zhiyong; Cheng Baozhu; Li Yuchen; Dong Xianlin

2007-01-01

Single phase of textured Bi 3 TiNbO 9 (BTNO) ceramics were prepared by a two-step sintering method: synthesizing seed-crystal platelets by molten-salt method with oxide mixture as precursor and then sintering the platelets via hot-pressing method. Molten-salt-synthesized fine BTNO plate-like crystallines (∼400 nm) had an orientation degree of 0.42. After hot-pressed under different conditions, textured BTNO ceramics with different orientation degree were obtained and the orientation degree of textured BTNO ceramics increased with the applied pressure as well as the sintering temperature. X-ray diffraction (XRD) patterns of textured BTNO revealed that the face perpendicular to the hot-pressing axis (-perpendicular ) exhibits stronger (0 0 l) diffraction peaks, while the face parallel to the hot-pressing axis (-parallel ) shows stronger (0 2 0)/(2 0 0) and weaker (0 0 l) diffraction peaks, which also can be apparently observed from SEM images. Highly oriented BTNO with a degree of 0.78 was obtained under an applied pressure of 60 MPa at 1050 deg. C

Cs_7Sm_1_1[TeO_3]_1_2Cl_1_6 and Rb_7Nd_1_1[TeO_3]_1_2Br_1_6, the new tellurite halides of the tetragonal Rb_6LiNd_1_1[SeO_3]_1_2Cl_1_6 structure type

International Nuclear Information System (INIS)

Charkin, Dmitri O.; Black, Cameron; Downie, Lewis J.; Sklovsky, Dmitry E.; Berdonosov, Peter S.; Olenev, Andrei V.; Zhou, Wuzong; Lightfoot, Philip; Dolgikh, Valery A.

2015-01-01

Two new rare-earth – alkali – tellurium oxide halides were synthesized by a salt flux technique and characterized by single-crystal X-ray diffraction. The structures of the new compounds Cs_7Sm_1_1[TeO_3]_1_2Cl_1_6 (I) and Rb_7Nd_1_1[TeO_3]_1_2Br_1_6 (II) (both tetragonal, space group I4/mcm) correspond to the sequence of [MLn_1_1(TeO_3)_1_2] and [M_6X_1_6] layers and bear very strong similarities to those of known selenite analogs. We discuss the trends in similarities and differences in compositions and structural details between the Se and Te compounds; more members of the family are predicted. - Graphical abstract: Two new rare-earth – alkali – tellurium oxide halides were predicted and synthesized. - Highlights: • Two new rare-earth – alkali – tellurium oxide halides were synthesized. • They adopt slab structure of rare earth-tellurium-oxygen and CsCl-like slabs. • The Br-based CsCl-like slabs have been observed first in this layered family.

Spectroscopic properties and thermal stability of Er3+ -doped TeO2-B2O3-Nb2O5-ZnO glass for potential WDM amplifier.

Science.gov (United States)

Xu, Tiefeng; Zhang, Xudong; Li, Guangpo; Dai, Shixun; Nie, Qiuhua; Shen, Xiang; Zhang, Xianghua

2007-06-01

A series of novel 70TeO2-(15-x)B2O3-xNb2O5-15ZnO-1wt.% Er2O3 (TBN x=0, 3, 6, 9, 12 and 15 mol%) tellurite glasses were prepared. The thermal stability, absorption spectra, emission spectra, and the lifetime of the (4)I(13/2) level of Er(3+) ions were measured and investigated. Three Judd-Ofelt intensity parameters Omega(t) (t=2, 4 and 6) (Omega(2)=(5.42-6.76)x10(-20)cm(2); Omega(4)=(1.37-1.73)x10(-20)cm(2); Omega(6)=(0.70-0.94)x10(-20)cm(2)) of Er(3+) ions were calculated by Judd-Ofelt theory. It is found that the Omega(6) first increases with the increase of Nb2O5 content from 0 to 6 mol% and then decreases, which is mainly affected by the number of non-bridging oxygen ions of the glass network. The high peak of stimulated emission cross-section (sigma(e)(peak)=(0.77-0.91)x10(-20)cm(2)) of Er(3+): (4)I(13/2)-->(4)I(15/2) transition were obtained according to McCumber theory and broad full width at half maximum (FWHM=65-73 nm) of the (4)I(13/2)-->(4)I(15/2) transition of Er(3+) ions were measured. The results indicate that these new TBN glasses can be used as a candidate host material for potential broadband optical amplifiers.

Structural, electric and dielectric properties of Eu-doped SrBi2Nb2O9 ceramics obtained by co-precipitation route

Directory of Open Access Journals (Sweden)

Mohamed Afqir

2018-03-01

Full Text Available This paper presents a study of the structure and dielectric properties of Eu-doped SrBi2Nb2O9 ceramics prepared by co-precipitation route and sintered at 850 °C. The materials were examined using XRD and FTIR methods. XRD data indicated the formation of well crystallized structure of the pure and doped SrBi2Nb2O9, without the presence of undesirable phases. FTIR spectra do not bring a significant shift in the band positions. Moreover, the AC conductivity, dielectric constant and dielectric loss of the ceramics were determined through the frequency range [50 kHz–1 MHz]. In particular, the dielectric constant (ε′ and dielectric losses (tan δ of the SrBi2Nb2O9 and SrBi1.6Eu0.4Nb2O9 ceramics were measured as a function of temperature at various frequencies.

The role of the Mg2+ ions in Cr3+ spectroscopy for near-stoichiometric LiNbO3 crystals

International Nuclear Information System (INIS)

Han, T P J; Jaque, F; Bermudez, V; Dieguez, E

2003-01-01

The optical spectroscopy of Cr 3+ ions doped into near-stoichiometric LiNbO 3 crystals, pure and co-doped with MgO, has been investigated. In the near-stoichiometric LiNbO 3 :Cr(0.2 mol%):Mg(2 mol%) crystal, the optical spectra resemble those previously observed for congruent LiNbO 3 :Cr:MgO samples when the total MgO content exceeds the 4.6 mol% threshold. The coexistence of two types of Cr 3+ centre ([Cr] Li and [Cr] Nb ) characterized the optical and luminescence spectra of this sample. The concentration equilibrium between the two types of centre is strongly displaced towards the [Cr 3+ ] Nb centre, permitting us to obtain with accuracy the parameters of the broad bands. The R-line associated with the [Cr] Nb centre is only observable in the low-temperature emission spectrum. The Fano anti-resonance lines present have been observed to be more pronounced for the near-stoichiometric samples than for congruent ones

Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.

Science.gov (United States)

Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

2016-03-21

The inner C-benzyl- and C-o-xylyl (or m-xylyl, p-xylyl)-substituted cobalt(ii) complexes of a 2-N-substituted N-confused porphyrin were synthesized from the reaction of 2-NC3H5NCTPPH (1) and CoCl2·6H2O in toluene (or o-xylene, m-xylene, p-xylene). The crystal structures of diamagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N',N'')zinc(ii) [Zn(2-NC3H5-21-H-NCTPP)Cl; 3 ] and paramagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-benzyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-CH2C6H5NCTPP)Cl; 7], and chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-Y-xylyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-Y-CH2C6H4CH3NCTPP)Cl] [Y = o (8), m (9), p (10)] were determined. The coordination sphere around the Zn(2+) (or Co(2+)) ion in 3 (or 7-10) is a distorted tetrahedron (DT). The free energy of activation at the coalescence temperature Tc for the exchange of phenyl ortho protons o-H (26) with o-H (22) in 3 in a CDCl3 solvent is found to be ΔG = 61.4 kJ mol(-1) through (1)H NMR temperature-dependent measurements. The axial zero-field splitting parameter |D| was found to vary from 35.6 cm(-1) in 7 (or 30.7 cm(-1) in 8) to 42.0 cm(-1) in 9 and 46.9 cm(-1) in 10 through paramagnetic susceptibility measurements. The magnitude of |D| can be related to the coordination sphere at the cobalt sites.

Optical Intensity Modulation in an LiNbO3 Slab-Coupled Waveguide

Directory of Open Access Journals (Sweden)

Yalin Lu

2008-01-01

Full Text Available Optical intensity modulation has been demonstrated through switching the optical beam between the main core waveguide and a closely attached leaky slab waveguide by applying a low-voltage electrical field. Theory for simulating such an LiNbO3 slab-coupled waveguide structure was suggested, and the result indicates the possibility of making the spatial guiding mode large, circular and symmetric, which further allows the potential to significantly reduce the coupling losses with adjacent lasers and optical networks. Optical intensity modulation using electro-optic effect was experimentally demonstrated in a 5 cm long waveguide fabricated by using a procedure of soft proton exchange and then an overgrowth of thin LN film on top of a c-cut LiNbO3 wafer.

An ultrasonic therapeutic transducers using lead-free Na{sub 0.5}K{sub 0.5}NbO{sub 3}-CuNb{sub 2}O{sub 6} ceramics

Energy Technology Data Exchange (ETDEWEB)

Yang, Ming-Ru [Department of Electrical Engineering, National Cheng Kung University, Taiwan (China); Chu, Sheng-Yuan, E-mail: chusy@mail.ncku.edu.t [Department of Electrical Engineering, National Cheng Kung University, Taiwan (China); Advanced Optoelectronic Technology Center, National Cheng Kung University, Tainan 701, Taiwan (China); Institute of Nanotechnology and Microsystems Engineering, National Cheng Kung University, Tainan 701, Taiwan (China); Tsai, Cheng-Che [Department of Electronics Engineering and Computer Science, Tung-Fang Institute of Technology, Kaohsiung 829, Taiwan (China)

2010-10-08

Research highlights: {yields} In this paper, CN was added to NKN ceramics to decrease the sintering temperature and to improve the density and piezoelectric characteristics. The influence of CuNb{sub 2}O{sub 6} (CN) content on the microstructure, electrical properties, temperature stability, and mechanical properties of the synthesized samples was investigated. Results show that the samples synthesized with CN-doped not only improved the density but also exhibited superior piezoelectric characteristic, temperature stability of resonance frequency (TCF), and elastic stiffness coefficient than those of pure NKN piezoelectric ceramics. {yields} The bulk density (4.47 g/cm{sup 3}), k{sub p} (40%), k{sub t} (45%), Q{sub m} (1642), C{sub 33}{sup D} (19.64 x 10{sup 10} N/m{sup 2}), TCF (-0.011%/{sup o}C) and TCC (0.135%/{sup o}C) values for NKN-01CN ceramics obtained from experiments show excellent 'hard' piezoelectric properties. Furthermore, a lead-free NKN-01CN ultrasonic therapeutic transducer was successfully driven by a self-tuning circuit. - Abstract: In this work, we reports on the CuNb{sub 2}O{sub 6} (CN) modified lead-free Na{sub 0.5}K{sub 0.5}NbO{sub 3} (NKN) based piezoelectric ceramics were synthesized by solid-state reaction methods and sintered at 1075 {sup o}C for 3 h. A secondary phase of K{sub 4}CuNb{sub 8}O{sub 23} was found in the XRD pattern of NKN-based ceramics as the CN dopants is 1 mol%. Microstructural analyses of un-doped and CN-doped ceramics were performed in a scanning electron microscope. The influence of CN content on the microstructure, electrical properties, temperature stability, and mechanical properties of the synthesized ceramics was investigated. The results show that the synthesized ceramics with CN-doped not only had improved density but also exhibited superior piezoelectric characteristics, temperature stability of resonance frequency (TCF), and a better elastic stiffness coefficient than those of pure NKN piezoelectric

Dielectric properties of the ternary TeO2/Nb2O5/ZnO glasses

International Nuclear Information System (INIS)

Ahmad, Mohamad M.; Yousef, El Sayed; Moustafa, El Sayed

2006-01-01

Glasses of the system TeO 2 /Nb 2 O 5 /ZnO containing different concentration of ZnO (ranging from 5 to 20 mol%) were prepared. The dielectric properties over wide ranges of frequencies and temperatures were investigated as a function of ZnO content by impedance spectroscopy measurements. The impedance spectra of the present glasses were modeled by appropriate equivalent circuit. The dielectric constant has a value of 66 for the 85TeO 2 /10Nb 2 O 5 /5ZnO glass, which is three times larger than that of pure TeO 2 glass and other binary, e.g. TeO 2 /ZnCl 2 , tellurite glassy systems. The results have been analyzed in light of varying NbO 6 octahedra and NbO 4 tetrahedra of niobium oxide as zinc oxide varies from 5 to 20 mol%. The relaxation properties of the investigated glasses are presented in the electric modulus formalism, where the relaxation time and the respective activation energy are determined

Cluster-based bulk metallic glass formation in Fe-Si-B-Nb alloy systems

Energy Technology Data Exchange (ETDEWEB)

Zhu, C L; Wang, Q; Li, F W; Li, Y H; Wang, Y M; Dong, C [State Key Laboratory of Materials Modification, Dalian University of Technology (DUT), Dalian 116024 (China); Zhang, W; Inoue, A, E-mail: dong@dlut.edu.c [Institute for Materials Research (IMR), Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan)

2009-01-01

Bulk metallic glass formations have been explored in Fe-B-Si-Nb alloy system using the so-called atomic cluster line approach in combination with minor alloying guideline. The atomic cluster line refers to a straight line linking binary cluster to the third element in a ternary system. The basic ternary compositions in Fe-B-Si system are determined by the inetersection points of two cluster lines, namely Fe-B cluster to Si and Fe-Si cluster to B, and then further alloyed with 3-5 at. % Nb for enhancing glass forming abilities. BMG rods with a diameter of 3 mm are formed under the case of minor Nb alloying the basic intersecting compositions of Fe{sub 8}B{sub 3}-Si with Fe{sub 12}Si-B and Fe{sub 8}B{sub 2}-Si with Fe{sub 9}Si-B. The BMGs also exhibit high Vickers hardness (H{sub v}) of 1130-1164 and high Young's modulous (E) of 170-180 GPa

Infrared absorption of CH{sub 3}OSO and CD{sub 3}OSO radicals produced upon photolysis of CH{sub 3}OS(O)Cl and CD{sub 3}OS(O)Cl in p-H{sub 2} matrices

Energy Technology Data Exchange (ETDEWEB)

Lee, Yu-Fang; Kong, Lin-Jun [Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001 Ta-Hsueh Rd., Hsinchu 30010, Taiwan (China); Lee, Yuan-Pern [Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001 Ta-Hsueh Rd., Hsinchu 30010, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China)

2012-03-28

Irradiation at 239 {+-} 20 nm of a p-H{sub 2} matrix containing methoxysulfinyl chloride, CH{sub 3}OS(O)Cl, at 3.2 K with filtered light from a medium-pressure mercury lamp produced infrared (IR) absorption lines at 3028.4 (attributable to {nu}{sub 1}, CH{sub 2} antisymmetric stretching), 2999.5 ({nu}{sub 2}, CH{sub 3} antisymmetric stretching), 2950.4 ({nu}{sub 3}, CH{sub 3} symmetric stretching), 1465.2 ({nu}{sub 4}, CH{sub 2} scissoring), 1452.0 ({nu}{sub 5}, CH{sub 3} deformation), 1417.8 ({nu}{sub 6}, CH{sub 3} umbrella), 1165.2 ({nu}{sub 7}, CH{sub 3} wagging), 1152.1 ({nu}{sub 8}, S=O stretching mixed with CH{sub 3} rocking), 1147.8 ({nu}{sub 9}, S=O stretching mixed with CH{sub 3} wagging), 989.7 ({nu}{sub 10}, C-O stretching), and 714.5 cm{sup -1} ({nu}{sub 11}, S-O stretching) modes of syn-CH{sub 3}OSO. When CD{sub 3}OS(O)Cl in a p-H{sub 2} matrix was used, lines at 2275.9 ({nu}{sub 1}), 2251.9 ({nu}{sub 2}), 2083.3 ({nu}{sub 3}), 1070.3 ({nu}{sub 4}), 1056.0 ({nu}{sub 5}), 1085.5 ({nu}{sub 6}), 1159.7 ({nu}{sub 7}), 920.1 ({nu}{sub 8}), 889.0 ({nu}{sub 9}), 976.9 ({nu}{sub 10}), and 688.9 ({nu}{sub 11}) cm{sup -1} appeared and are assigned to syn-CD{sub 3}OSO; the mode numbers correspond to those used for syn-CH{sub 3}OSO. The assignments are based on the photolytic behavior and a comparison of observed vibrational wavenumbers, infrared intensities, and deuterium isotopic shifts with those predicted with the B3P86/aug-cc-pVTZ method. Our results extend the previously reported four transient IR absorption bands of gaseous syn-CH{sub 3}OSO near 2991, 2956, 1152, and 994 cm{sup -1} to 11 lines, including those associated with C-O, O-S, and S=O stretching modes. Vibrational wavenumbers of syn-CD{sub 3}OSO are new. These results demonstrate the advantage of a diminished cage effect of solid p-H{sub 2} such that the Cl atom, produced via UV photodissociation of CH{sub 3}OS(O)Cl in situ, might escape from the original cage to yield isolated CH{sub 3}OSO

Beam-Mode Piezoelectric Properties of Ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 Single Crystals for Medical Linear Array Applications

Science.gov (United States)

Wang, Wei; Wang, Sheng; Zhang, Yaoyao; Zhao, Xiangyong; Luo, Haosu

2011-11-01

In this work, the dielectric and beam-mode piezoelectric properties of ternary 0.35Pb(In1/2Nb1/2)O3-0.35Pb(Mg1/3Nb2/3)O3-0.30PbTiO3 (PIMNT35/35/30) piezoelectric single crystals were investigated. The Curie temperature ( T C) and rhombohedral-to-tetragonal phase-transition temperature ( T rt) are 187°C and 127°C, about 30°C higher than those of PMNT crystals. The beam-mode coupling coefficient k {33/ w } was found to be 90.3%. Furthermore, 3.5-MHz linear arrays based on PIMNT35/35/30 crystals and Pb(Zr1- x Ti x )O3 ceramic (PZT-5H) were simulated using PiezoCAD software. The results indicate that the sensitivity and -6 dB bandwidth of a PIMNT35/35/30 transducer would be approximately 4 dB and 20% higher, respectively, compared with a traditional PZT transducer.

Spectroscopic investigations of nanostructured LiNbO3 doped with Eu3+

International Nuclear Information System (INIS)

Hreniak, D.; Speghini, A.; Bettinelli, M.; Strek, W.

2006-01-01

Structural and optical properties of the sol-gel derived nanocrystalline lithium niobate (LiNbO 3 ) powders doped with Eu 3+ ions have been studied. In particular, the influence of the sizes of nanoparticles controlled by temperature on the structural and luminescence properties has been investigated. Emission bands corresponding to 5 D emission became more resolved with increasing nanocrystal size and changed to a typical Eu 3+ :LiNbO 3 single crystal spectrum for nanocrystals having an average size of more than 40 nm. Nonlinear optical properties of nanostructured LiNbO 3 have been confirmed by simple observation of second harmonic generation effect (SHG). The possibility of using nanostructured LiNbO 3 doped with rare-earth ions as self-doubling elements in integrated optoelectronic devices has been discussed

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

International Nuclear Information System (INIS)

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

1982-01-01

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

Defect and electrical transport properties of Nb-doped SrTiO₃

DEFF Research Database (Denmark)

Blennow Tullmar, Peter; Hagen, Anke; Kammer Hansen, Kent

2008-01-01

analyzed with SEM, XRD, TGA, and XANES. The electrical conductivity of Nb-doped strontium titanate (Sr0.94Ti0.9Nb0.1O3 - sintered in 9% H-2/N-2 at 1400 degrees C for 12 h) decreased with increasing temperature and showed a phonon scattering conduction mechanism with (sigma>120 S/cm at 1000 degrees C (in 9...

WFC3 GRISM CONFIRMATION OF THE DISTANT CLUSTER Cl J1449+0856 AT (z) = 2.00: QUIESCENT AND STAR-FORMING GALAXY POPULATIONS

Energy Technology Data Exchange (ETDEWEB)

Gobat, R.; Strazzullo, V.; Daddi, E. [Laboratoire AIM-Paris-Saclay, CEA/DSM-CNRS-Université Paris Diderot, Irfu/Service d' Astrophysique, CEA Saclay, Orme des Merisiers, F-91191 Gif sur Yvette (France); Onodera, M.; Carollo, M. [Institute for Astronomy, ETH Zürich Wolfgang-Pauli-strasse 27, 8093 Zürich (Switzerland); Renzini, A. [INAF-Osservatorio Astronomico di Padova Vicolo dell' Osservatorio 5, I-35122 Padova (Italy); Finoguenov, A. [University of Helsinki, P.O. Box 33 (Yliopistonkatu 4), FI-00014 Helsinki (Finland); Cimatti, A. [Università di Bologna, Dipartimento di Astronomia Via Ranzani 1, I-40127 Bologna (Italy); Scarlata, C. [School of Physics and Astronomy, University of Minnesota 116 Church Street Southeast, Minneapolis, MN 55455 (United States); Arimoto, N. [Subaru Telescope, National Astronomical Observatory of Japan 650 North A' ohoku Place, Hilo, HI 96720 (United States)

2013-10-10

We present deep Hubble Space Telescope Wide Field Camera 3 (HST/WFC3) slitless spectroscopic observations of the distant cluster Cl J1449+0856. These cover a single pointing with 18 orbits of G141 spectroscopy and F140W imaging, allowing us to derive secure redshifts down to M{sub 140} ∼ 25.5 AB and 3σ line fluxes of ∼5 × 10{sup –18} erg s{sup –1} cm{sup –2}. In particular, we were able to spectroscopically confirm 12 early-type galaxies (ETGs) in the field up to z ∼ 3, 6 of which are in the cluster core, which represents the first direct spectroscopic confirmation of quiescent galaxies in a z = 2 cluster environment. With 140 redshifts in a ∼6 arcmin{sup 2} field, we can trace the spatial and redshift galaxy distribution in the cluster core and background field. We find two strong peaks at z = 2.00 and z = 2.07, where only one was seen in our previously published ground-based data. Due to the spectroscopic confirmation of the cluster ETGs, we can now reevaluate the redshift of Cl J1449+0856 at z = 2.00, rather than z = 2.07, with the background overdensity being revealed to be sparse and {sup s}heet{sup -}like. This presents an interesting case of chance alignment of two close yet unrelated structures, each one preferentially selected by different observing strategies. With 6 quiescent or early-type spectroscopic members and 20 star-forming ones, Cl J1449+0856 is now reliably confirmed to be at z = 2.00. The identified members can now allow for a detailed study of galaxy properties in the densest environment at z = 2.

Influence of La doping on structural and dielectric properties of SrBi2Nb2O9 ceramics

Science.gov (United States)

Verma, Maya; Sreenivas, K.; Gupta, Vinay

2009-01-01

Lanthanum doped SrBi2Nb2O9 ceramics with the chemical formula SrBi2-xLaxNb2O9 (SBLN) (x =0-0.5) have been prepared through conventional solid state route. X-ray diffraction reveals the shrinkage of unit cell of strontium bismuth niobate with incorporation of La3+ dopant, having no lone pair electrons. Shifting of Raman phonon modes indicates the reduced rattling space of NbO6 octahedra with increase in La doping concentration. Further, the softening of lowest frequency phonon mode with increasing x in SBLN shows the transition from ferroelectric to paraelectric at room temperature. The dielectric properties for all the compositions are studied as a function of temperature (25 to 500 °C) over the frequency range of 10 kHz-1 MHz. With increase in lanthanum doping concentration the phase transition becomes diffused and transition temperature gets shifted toward lower temperature. A phase transition from normal ferroelectric to paraelectric has been observed via relaxor-type ferroelectrics with increase in x. The frequency dependence of transition temperature was studied in terms of Vogel-Fulcher relation for SBLN (x =0.4).

Influence of La doping on structural and dielectric properties of SrBi2Nb2O9 ceramics

International Nuclear Information System (INIS)

Verma, Maya; Sreenivas, K.; Gupta, Vinay

2009-01-01

Lanthanum doped SrBi 2 Nb 2 O 9 ceramics with the chemical formula SrBi 2-x La x Nb 2 O 9 (SBLN) (x=0-0.5) have been prepared through conventional solid state route. X-ray diffraction reveals the shrinkage of unit cell of strontium bismuth niobate with incorporation of La 3+ dopant, having no lone pair electrons. Shifting of Raman phonon modes indicates the reduced rattling space of NbO 6 octahedra with increase in La doping concentration. Further, the softening of lowest frequency phonon mode with increasing x in SBLN shows the transition from ferroelectric to paraelectric at room temperature. The dielectric properties for all the compositions are studied as a function of temperature (25 to 500 deg. C) over the frequency range of 10 kHz-1 MHz. With increase in lanthanum doping concentration the phase transition becomes diffused and transition temperature gets shifted toward lower temperature. A phase transition from normal ferroelectric to paraelectric has been observed via relaxor-type ferroelectrics with increase in x. The frequency dependence of transition temperature was studied in terms of Vogel-Fulcher relation for SBLN (x=0.4)

Piezoelectric and electromechanical properties of ultrahigh temperature CaBi2Nb2O9 ceramics

International Nuclear Information System (INIS)

Wang, Jin-Feng; Zhang, Shujun; Shrout, Thomas R.; Wang, Chun-Ming

2009-01-01

The piezoelectric, dielectric, and electromechanical properties of the (KCe) co-substituted calcium bismuth niobate (CaBi 2 Nb 2 O 9 , CBN) were investigated. The piezoelectric activities of CBN ceramics were significantly enhanced and the dielectric loss tan δ decreased by (KCe) substitution. The Ca 0.9 (KCe) 0.05 Bi 2 Nb 2 O 9 ceramics possess the optimal piezoelectric properties, and the piezoelectric coefficient (d 33 ), Curie temperature (T C ), and electromechanical coupling factors (k p and k t ) were found to be 16 pC/N, 868 C, 8.6%, and 23.8%, respectively. The excellent dielectric and electromechanical spectra, together with the high piezoelectric activities and ultrahigh Curie temperature, make CBN ceramics promising candidates for high temperature piezoelectric applications. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Ilyukhinite (H3O,Na)14Ca6Mn2Zr3Si26O72(OH)2 • 3H2O, a New Mineral of the Eudialyte Group

Science.gov (United States)

Chukanov, N. V.; Rastsvetaeva, R. K.; Rozenberg, K. A.; Aksenov, S. M.; Pekov, I. V.; Belakovsky, D. I.; Kristiansen, R.; Van, K. V.

2017-12-01

A new eudialyte-group mineral, ilyukhinite, ideally (H3O,Na)14Ca6Mn2Zr3Si26O72(OH)2 · 3H2O, has been found in peralkaline pegmatite at Mt. Kukisvumchorr, Khibiny alkaline pluton, Kola Peninsula, Russia. It occurs as brownish orange, with vitreous luster anhedral grains up to 1 mm across in hydrothermally altered peralkaline rock, in association with aegirine, murmanite, albite, microcline, rhabdophane-(Ce), fluorite, sphalerite and molybdenite. The Mohs hardness is 5; cleavage is not observed. D meas 2.67(2), D calc 2.703 g/cm3. Ilyukhinite is optically uniaxial (-): ω = 1.585(2), ɛ = 1.584(2). The IR spectrum is given. The average chemical composition of ilyukhinite (wt %; electron microprobe, ranges given in parentheses; H2O determined by gas chromatography) is as follows: 3.07 (3.63-4.43) Na2O, 0.32 (0.28-0.52) K2O, 10.63 (10.26-10.90) CaO, 3.06 (2.74-3.22) MnO, 1.15 (0.93-1.37) FeO, 0.79 (0.51-0.89) La2O3, 1.21 (0.97-1.44) Ce2O3, 0.41 (0.30-0.56) Nd2O3, 0.90 (0.77-1.12) TiO2, 10.94 (10.15-11.21) ZrO2, 1.40 (0.76-1.68) Nb2O5, 51.24 (49.98-52.28) SiO2, 1.14 (0.89-1.37) SO3, 0.27 (0.19—0.38) Cl, 10.9(5 )H2O,-0.06-O = C1, total is 98.27. The empirical formula is H36.04(Na3.82K0.20)(Ca5.65Ce0.22La0.14Nd0.07)(Mn1.285Fe0.48)(Zr2.645Ti0.34)Nb0.31Si25.41S0.42Cl0.23O86.82. The crystal structure has been solved ( R = 0.046). Ilyukhinite is trigonal, R3 m; a = 14.1695(6) Å, b = 31.026(1) Å, V = 5394.7(7) Å3, Z = 3. The strongest XRD reflections [ d, Å (I, %) ( hkl)] are 11.44 (82) (101), 7.09 (70) (110), 6.02 (44) (021), 4.371 (89) 205), 3.805 (47) (303, 033), 3.376 (41) (131), 2.985 (100) (315, 128), 2.852 (92) (404). Ilyukhinite was named in memory of Vladimir V. Ilyukhin (1934-1982), an outstanding Soviet crystallographer. The type specimen of ilyukhinite has been deposited in the collection of the Natural History Museum, University of Oslo, Norway.

Morphology effect on photocatalytic activity in Bi3Fe0.5Nb1.5O9

Science.gov (United States)

Yin, Xiaofeng; Li, Xiaoning; Gu, Wen; Zou, Wei; Liu, Huan; Zhu, Liuyang; Fu, Zhengping; Lu, Yalin

2018-06-01

In this work, the Aurivillius-phase ferroelectric Bi3Fe0.5Nb1.5O9 were synthesized by hydrothermal (BFNO-H) and solid state methods (BFNO-S), respectively. The BFNO-H shows a hierarchical morphology, which is stacked by intersecting single-crystal nanosheets with {001} and {110} exposed facets, while the BFNO-S shows disorganized micron-scale morphology. BFNO-H shows a much stronger photodegradation activity (10.4 times and 9.8 times) than BFNO-S in the visible-light photodegradation of rhodamine B (RhB) and salicylic acid. The higher photodegradation activity of BFNO-H was firstly ascribed to the hierarchical structure and the larger specific surface area (16.586 m2 g‑1) because a large specific surface area can increase reactive sites and shorten photogenerated carrier migration distance. However, after being normalized by the specific surface area, BFNO-H still performs better than BFNO-S, implying that the specific surface area is not the only factor that determines the photocatalytic activity. Considering that the built-in electric field originating from spontaneous polarization in Bi3Fe0.5Nb1.5O9 has existed in both ab plane and c direction, it matches well with the {001} and {110} exposed facets of BFNO-H nanosheets. This appropriate matching in BFNO-H nanosheets may improve the separation and transmission of photogenerated electron–hole pairs and further enhance its photocatalytic activity. Moreover, the trapping experiments reveals that holes (h +) are the main active species and hole-derived oxidation is the main redox reaction during photodegradation of organic pollutions.

Preparation and electrical properties of MoO{sub 3}-modified SrBi{sub 2}Nb{sub 2}O{sub 9}-based lead-free piezoelectric ceramics

Energy Technology Data Exchange (ETDEWEB)

Yao, Zhongran, E-mail: ruiqingchu@sohu.com [College of Materials Science and Engineering, Liaocheng University, Liaocheng 252059 (China); Chu, Ruiqing, E-mail: rqchu@lcu.edu.cn [College of Materials Science and Engineering, Liaocheng University, Liaocheng 252059 (China); Xu, Zhijun; Hao, Jigong; Wei, Denghu; Cheng, Renfei [College of Materials Science and Engineering, Liaocheng University, Liaocheng 252059 (China); Li, Guorong [The State Key Lab of High Performance Ceramics and Superfinemicrostructure, Shanghai Institute of Ceramics, Chinese Academy of Science, Shanghai 200050 (China)

2016-05-05

Lead-free piezoelectric ceramics, SrBi{sub 2}(Nb{sub 1-x}Mo{sub x}){sub 2}O{sub 9} (SBNM-x), were prepared by a conventional solid-state reaction method. The crystal structure, microstructure and electrical properties were systematically investigated. The X-ray diffraction analysis suggested that the substitution formed layered perovskite structure. Plate-like morphology of the grains which is characteristic for layer-structure Aurivillius compounds was clearly observed for all the samples. The excellent electrical properties (e.g., d{sub 33}∼18 pC/N, 2P{sub r}∼20.34 μC/cm{sup 2}) and a high Curie temperature (e.g., T{sub c}∼458 °C) are simultaneously obtained in the ceramics with x = 0.12. Additionally, thermal annealing studies indicated that piezoelectric constant (d{sub 33}) of SBNM-0.12 ceramic remains almost unchanged (16 pC/N, only decrease by 12%) at temperatures below 400 °C, demonstrating that the Mo-modified SBN-based ceramics are the promising candidates for high-temperature applications. - Highlights: • Higher valent cation Mo{sup 6+} substituted for B-site Nb{sup 5+} in the perovskite layers ions. • The piezoelectric constant (d{sub 33}) of SrBi{sub 2}Nb{sub 2}O{sub 9} ceramic is increased to be 18 pC/N. • The remnant polarization (2P{sub r}) of SrBi{sub 2}Nb{sub 2}O{sub 9} ceramic is increased to be 20.34 μC cm{sup −2}. • SBNM-x ceramics show good temperature stability for high temperature applications.

Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

KAUST Repository

Ozdogan, K.

2012-03-08

We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (x = 0, 0.125, 0.25, 0.375, and 0.5) by full-potential density functional theory. From the electronic band structures obtained by our ab-initio calculations we determine the dependence of the induced metallicity on the Nb concentration. We obtain a monotonous increase of the carrier density with the Nb concentration. The results are confirmed by experiments for SrTi0.88Nb0.12O3 and SrTi0.8Nb0.2O3, demonstrating the predictive power and limitations of our theoretical approach. We also show that the Seebeck coefficient decreases monotonously with increasing temperature.

Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

KAUST Repository

Ozdogan, K.; Upadhyay Kahaly, M.; Sarath Kumar, S. R.; Alshareef, Husam N.; Schwingenschlö gl, Udo

2012-01-01

We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (x = 0, 0.125, 0.25, 0.375, and 0.5) by full-potential density functional theory. From the electronic band structures obtained by our ab-initio calculations we determine the dependence of the induced metallicity on the Nb concentration. We obtain a monotonous increase of the carrier density with the Nb concentration. The results are confirmed by experiments for SrTi0.88Nb0.12O3 and SrTi0.8Nb0.2O3, demonstrating the predictive power and limitations of our theoretical approach. We also show that the Seebeck coefficient decreases monotonously with increasing temperature.

Magnetic structure driven ferroelectricity and large magnetoelectric coupling in antiferromagnet Co4Nb2O9

Science.gov (United States)

Srivastava, P.; Chaudhary, S.; Maurya, V.; Saha, J.; Kaushik, S. D.; Siruguri, V.; Patnaik, S.

2018-05-01

Synthesis and extensive structural, pyroelectric, magnetic, dielectric and magneto-electric characterizations are reported for polycrystalline Co4Nb2O9 towards unraveling the multiferroic ground state. Magnetic measurements confirm that Co4Nb2O9 becomes an anti-ferromagnet at around 28 K. Associated with the magnetic phase transition, a sharp peak in pyroelectric current indicates the appearance of strong magneto-electric coupling below Neel temperature (TN) along with large coupling constant upto 17.8 μC/m2T. Using temperature oscillation technique, we establish Co4Nb2O9 to be a genuine multiferroic with spontaneous electric polarization in the anti-ferromagnetic state in the absence of magnetic field poling. This is in agreement with our low temperature neutron diffraction studies that show the magnetic structure of Co4Nb2O9 to be that of a non-collinear anti-ferromagnet with ferroelectric ground state.

Structural evolution of Ba{sub 8}Ti{sub 3}Nb{sub 4}O{sub 24} from BaTiO{sub 3} using a series of Ba(Ti{sub 1−5x}Nb{sub 4x})O{sub 3} solid solutions

Energy Technology Data Exchange (ETDEWEB)

Barrientos Hernández, F.R., E-mail: frbh68@hotmail.com [Academic Area of Earth Sciences and Materials, Autonomous University of Hidalgo State, Road Pachuca-Tulancingo km 4.5, Mineral de la Reforma zip code 42184, Hidalgo (Mexico); Department of Metallurgical and Materials Engineering, ESIQIE, National Polytechnic Institute, UPALM, Zacatenco, Mexico City, zip code 07738 (Mexico); Lira Hernández, I.A. [Department of Metallurgical and Materials Engineering, ESIQIE, National Polytechnic Institute, UPALM, Zacatenco, Mexico City, zip code 07738 (Mexico); Industrial Engineering Department, Technological Institute of Pachuca, Road México-Pachuca km. 87.5, Pachuca de Soto zip code 42080, Hidalgo (Mexico); Gómez Yáñez, C. [Department of Metallurgical and Materials Engineering, ESIQIE, National Polytechnic Institute, UPALM, Zacatenco, Mexico City, zip code 07738 (Mexico); Arenas Flores, A. [Academic Area of Earth Sciences and Materials, Autonomous University of Hidalgo State, Road Pachuca-Tulancingo km 4.5, Mineral de la Reforma zip code 42184, Hidalgo (Mexico); Cabrera Sierra, R. [Department of Metallurgical and Materials Engineering, ESIQIE, National Polytechnic Institute, UPALM, Zacatenco, Mexico City, zip code 07738 (Mexico); Pérez Labra, M. [Academic Area of Earth Sciences and Materials, Autonomous University of Hidalgo State, Road Pachuca-Tulancingo km 4.5, Mineral de la Reforma zip code 42184, Hidalgo (Mexico)

2014-01-15

Highlights: • The evolution phase Ba{sub 8}Ti{sub 3}Nb{sub 4}O{sub 24} was obtained through the mechanism Ba(Ti{sub 1-5x}Nb{sub 4x})O{sub 3}. • Addition of niobium can accelerate grain growth of BaTiO{sub 3} ceramics. • Ba{sub 8}Ti{sub 3}Nb{sub 4}O{sub 24} presents a dielectric loss of 0.0035 and permittivity value of 54.6. • Electrical measurements showed that Nb{sup 5+} content drops Curie temperature. • Samples with x ⩾ 0.0625 shows an insulating behavior. -- Abstract: In this work, the structural evolution of hexagonal phase Ba{sub 8}Ti{sub 3}Nb{sub 4}O{sub 24} by adding Nb{sub 2}O{sub 5} to perovskite structure of BaTiO{sub 3} was investigated. The compositions Ba(Ti{sub 1-5x}Nb{sub 4x})O{sub 3} ceramics, with 0.00025 ⩽ x ⩽ 0.125 were prepared by the conventional solid state route in air atmosphere, the powders precursors, BaTiO{sub 3}, BaCO{sub 3} and Nb{sub 2}O{sub 5}, were mixed in stoichiometric proportions and ground in a ball mill using alumina balls and acetone. The mixed powders were calcined at temperatures up to 1500 °C. The phase transformation of Ba{sub 8}Ti{sub 3}Nb{sub 4}O{sub 24} from BaTiO{sub 3} was studied by DRX, Raman spectroscopy, SEM, electrical measurements (relative permittivity and P–E hysteresis loops); Rietveld’s refinement was used to structurally characterize the samples. For the devices obtained capacitance was measured at 1 kHz; with these values we calculated the relative permittivity. The samples show typical P–E hysteresis loops at room temperature accompanied by saturation polarization (Ps) and remnant polarization (Pr). The DRX and Rietveld’s refinement results show x ⩽ 0.01 has a ferroelectric behavior. When the doped level is increased x ⩾ 0.02, a peak displacement is observed, this is due to the phase transformation of tetragonal to cubic into the unit cell. Finally, with x = 0.125 the crystal structure transforms to the characteristic hexagonal phase Ba{sub 8}Ti{sub 3}Nb{sub 4}O{sub 24} which

Phase equilibria and crystal chemistry in the ternary system BaO-TiO 2-Nb 2O 5. II. New barium polytitanates with <5 mole% Nb 2O 5

Science.gov (United States)

Roth, R. S.; Ettlinger, L. D.; Parker, H. S.

1987-06-01

Four new compounds were found in the BaO-TiO 2-Nb 2O 5 system, each containing orth ≈ 9.9A˚, b mon ≈ a orth ≈ 17A˚). Ba 14Ti 40Nb 2O 99 is a 20-layer orthorhombic phase, Cmc*, withc ≈ 46.86A˚. Ba 10Ti 28Nb 2O 72 is a 7-layer monoclinic phase, C2m, c ≈ 16.72A˚, β ≈ 101.2°. Ba 18Ti 54Nb 2O 132 is a 13-layer monoclinic phase, C2m, c ≈ 30.65A˚, β ≈ 96°. The compositions were derived by analogy to the layers in Ba 4Ti 13 O 30 and Ba 6Ti 17O 40 and are consistent with limited phase equilibria data.

Fabrication of In2O3@In2S3 core-shell nanocubes for enhanced photoelectrochemical performance

Science.gov (United States)

Li, Haohua; Chen, Cong; Huang, Xinyou; Leng, Yang; Hou, Mengnan; Xiao, Xiaogu; Bao, Jie; You, Jiali; Zhang, Wenwen; Wang, Yukun; Song, Juan; Wang, Yaping; Liu, Qinqin; Hope, Gregory A.

2014-02-01

Herein, we report the facile synthesis of In2O3@In2S3 core-shell nanocubes and their improved photoelectrochemical property. In2O3@In2S3 core-shell nanocubes are grown on a F-doped SnO2 (FTO) glass substrate by a two-step process, which involves the electrodeposition of In2O3 nanocubes and a subsequent ion-exchange treatment. The improved light-harvesting ability and the suitable band alignment of the In2O3@In2S3 core-shell nanocubes generate a remarkable photocurrent density of 6.19 mA cm-2 (at 0 V vs. Ag/AgCl), which is substantially higher than the pristine In2O3 nanocubes. These results provide a new insight into the design of a high-performance photoanode for photoelectrochemical water splitting.

Synthesis and Dielectric Properties of Ba3NaBiNb10O30 Ceramics

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

A new niobate Ba3NaBiNb10O30 was synthesized by the solid state reaction.The reaction mixture was characterized by thermogravimetric and differential thermal analysis (TG-DTA),X-ray diffraction and dielectric constant measurements.The results show that Ba3NaBiNb10O30 has an orthorhombic tungsten bronze structure with space group Cmm2 and the unit cell parameters are a=1.7660(1) nm,a=1.7626(1) nm,c=0.78621(6) nm,Z=4.Ba3NaBiNb10O30 undergoes two phase transitions at 200℃ and 400℃,respectively.

Dehydration of Glucose to 5-Hydroxymethylfurfural Using Nb-doped Tungstite

KAUST Repository

Yue, Chaochao; Li, Guanna; Pidko, Evgeny A.; Wiesfeld, Jan J.; Rigutto, Marcello; Hensen, Emiel J. M.

2016-01-01

Dehydration of glucose to 5-hydroxymethylfurfural (HMF) remains a significant problem in the context of the valorization of lignocellulosic biomass. Hydrolysis of WCl6 and NbCl5 leads to precipitation of Nb-containing tungstite (WO3H2O) at low Nb

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

Science.gov (United States)

Kawamura, Yasushi; Ohuchi, Hiromu

1994-09-01

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

Synthesis, X-ray structure, and hydrolytic chemistry of the high potent antiviral polyniobotungstate A-[alpha]-[Si2Nb6W18O77]8–

Science.gov (United States)

Gyu-Shik Kim; Huadong Zeng; Jeffrey T. Rhule; Ira A. Weinstock; Craig L. Hill

1999-01-01

Potently antiviral polyniobotungstates have been structurally characterized; the dimer A-[alpha]-[Si2Nb6W18O77]8– cleaves cleanly to the monomer A-[alpha]-[SiNb3W9O40]7– within 1 min in aqueous solution buffered at physiological (neutral) pH establishing that the monomer and not the dimer is pharmacologically relevant.

Exchange interactions and the state of iron atoms in Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ}

Energy Technology Data Exchange (ETDEWEB)

Chezhina, N.V., E-mail: chezhina@nc2490.spb.edu [St. Petersburg State University, 7/9 Universitetskaya Nab., 199034 (Russian Federation); Korolev, D.A. [St. Petersburg State University, 7/9 Universitetskaya Nab., 199034 (Russian Federation); Zhuk, N.A. [Syktyvkar State University (Russian Federation); Lutoev, V.P.; Makeev, B.A. [Institute of Geology Komi Scientific Center of Ural branch of Russian Academy of Sciences, Syktyvkar (Russian Federation)

2017-03-15

On the basis of the results of magnetic susceptibility and ESR studies of the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions iron atoms in the solid solutions of cubic modification of bismuth niobate were found to exist as Fe(III) monomers and exchange bound Fe(III)-O-Fe(III) dimers with antiferro- and ferromagnetic type of superexchange. The exchange parameters and the distribution of monomers and dimers in the solid solutions were calculated as a function of paramagnetic atom content. - Graphical abstract: The study of the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions showed that the introduction of iron atoms into the structure of Bi{sub 3}NbO{sub 7} stabilizes the cubic structure of bismuth niobate making the phase transition tetragonal ↔ cubic structure irreversible. In the Bi{sub 3}Nb{sub 1−x}Fe{sub x}O{sub 7−δ} solid solutions we observe the formation of dimers with antiferro- and ferromagnetic exchange. Such clusters are partially retained even at the infinite dilution of the solid solution, which testifies for their rigidity. A sufficiently high parameter of ferromagnetic exchange in a dimer (+53 cm{sup −1}) seems to result from iron atoms being located in the vicinity of oxygen vacancy. - Highlights: • The reversible transition cubic – tetragonal modifications in Bi{sub 3}NbO{sub 7} becomes irreversible. • Only cubic modification of Bi{sub 3}Nb{sub 1-x}Fe{sub x}O{sub 7-δ} is stable due to clusters of Fe atoms. • These clusters are sufficiently strong and retained even at the infinite dilution. • The calculations of magnetic susceptibility give the distribution of the clusters and single atoms.

Cr3+ and Nb5+ co-doped Ti2Nb10O29 materials for high-performance lithium-ion storage

Science.gov (United States)

Yang, Chao; Yu, Shu; Ma, Yu; Lin, Chunfu; Xu, Zhihao; Zhao, Hua; Wu, Shunqing; Zheng, Peng; Zhu, Zi-Zhong; Li, Jianbao; Wang, Ning

2017-08-01

Ti2Nb10O29 is an advanced anode material for lithium-ion batteries due to its large specific capacity and high safety. However, its poor electronic/ionic conductivity significantly limits its rate capability. To tackle this issue, a Cr3+-Nb5+ co-doping is employed, and a series of CrxTi2-2xNb10+xO29 compounds are prepared. The co-doping does not change the Wadsley-Roth shear structure but increases the unit-cell volume and decreases the particle size. Due to the increased unit-cell volumes, the co-doped samples show increased Li+-ion diffusion coefficients. Experimental data and first-principle calculations reveal significantly increased electronic conductivities arising from the formation of impurity bands after the co-doping. The improvements of the electronic/ionic conductivities and the smaller particle sizes in the co-doped samples significantly contribute to improving their electrochemical properties. During the first cycle at 0.1 C, the optimized Cr0.6Ti0.8Nb10.6O29 sample delivers a large reversible capacity of 322 mAh g-1 with a large first-cycle Coulombic efficiency of 94.7%. At 10 C, it retains a large capacity of 206 mAh g-1, while that of Ti2Nb10O29 is only 80 mAh g-1. Furthermore, Cr0.6Ti0.8Nb10.6O29 shows high cyclic stability as demonstrated in over 500 cycles at 10 C with tiny capacity loss of only 0.01% per cycle.

Study and fabrication of ZnNb2O6 thin films by sol-gel method

International Nuclear Information System (INIS)

Hsu, Cheng-Hsing; Yang, Pai-Chuan; Yang, Hsi-Wen; Yan, Shu-Fong; Tung, Hsin-Han

2011-01-01

Zinc niobium oxide (ZnNb 2 O 6 ) thin films were grown on ITO/glass substrate by sol-gel process. Microstructure and surface morphology of the ZnNb 2 O 6 thin films have been studied by X-ray diffraction and scanning electron microscopy. Optical properties of the ZnNb 2 O 6 thin films were obtained by UV-visible recording spectrophotometer. The dependence of the microstructure, optical transmittance spectra, optical band gap on annealing temperature was also investigated.

Cluster models of aqueous Na{sup +} and Cl{sup -} in sea water/ice

Energy Technology Data Exchange (ETDEWEB)

Michelsen, R.; Walker, R. [Randolph-Macon College, Department of Chemistry (United States); Shillady, D., E-mail: quantummechanicsllc@msn.com [Virginia Commonwealth University, Department of Chemistry (United States)

2012-10-15

In this article, we present finite cluster models of aqueous solutes [NaCl(H{sub 2}O){sub 10}, NaCl(H{sub 2}O){sub 5}, and (H{sub 2}O){sub 6}] in terms of molecular geometry and vibrational spectra for interpretation of experimental infrared spectra of NaCl brine solutions. The quantum chemistry program GAMESS is used to optimize the model clusters to a local minimum energy gradient of less than 5.0d-6 hartrees/bohr with B3LYP in a gaussian basis of 6-31G(d,p). Harmonic frequencies are computed for comparison with the infrared spectra measured by attenuated total reflection of a temperature-controlled Ge plate under a layer of cold brine solution. The motivation for this research is to understand the mechanism by which freezing seawater excludes halide ions (mainly Cl{sup -}) and why the O-H stretching region of the spectra changes with temperature. Frost flowers, sea ice, and snow in marine environments contain concentrated halides in liquid brine at their surfaces which lead to catalytic destruction of low-altitude ozone in the polar regions of the Earth.

Lead-free LiNbO3 nanowire-based nanocomposite for piezoelectric power generation

Science.gov (United States)

2014-01-01

In a flexible nanocomposite-based nanogenerator, in which piezoelectric nanostructures are mixed with polymers, important parameters to increase the output power include using long nanowires with high piezoelectricity and decreasing the dielectric constant of the nanocomposite. Here, we report on piezoelectric power generation from a lead-free LiNbO3 nanowire-based nanocomposite. Through ion exchange of ultra-long Na2Nb2O6-H2O nanowires, we synthesized long (approximately 50 μm in length) single-crystalline LiNbO3 nanowires having a high piezoelectric coefficient (d33 approximately 25 pmV-1). By blending LiNbO3 nanowires with poly(dimethylsiloxane) (PDMS) polymer (volume ratio 1:100), we fabricated a flexible nanocomposite nanogenerator having a low dielectric constant (approximately 2.7). The nanogenerator generated stable electric power, even under excessive strain conditions (approximately 105 cycles). The different piezoelectric coefficients of d33 and d31 for LiNbO3 may have resulted in generated voltage and current for the e33 geometry that were 20 and 100 times larger than those for the e31 geometry, respectively. This study suggests the importance of the blending ratio and strain geometry for higher output-power generation in a piezoelectric nanocomposite-based nanogenerator. PACS 77.65.-j; 77.84.-s; 73.21.Hb PMID:24386884

Impedance spectroscopy of SrBi2Ta2O9 and SrBi2Nb2O9 ceramics correlation with fatigue behavior

International Nuclear Information System (INIS)

Chen, T.; Thio, C.; Desu, S.B.

1997-01-01

In this research, a fatigue model for ferroelectric materials is proposed. The reasons for the electrical fatigue resistance of SrBi 2 Ta 2 O 9 (SBT), SrBi 2 Nb 2 O 9 (SBN), and PbZr 1-x Ti x O 3 (PZT) are discussed in terms of the bulk ionic conductivities of the compounds. To obtain the bulk ionic conductivity of SBT and SBN, we have used impedance spectroscopy which provides an effective method that allows us to separate the individual contributions of bulk, grain boundaries, and electrode-ferroelectric interfaces from the total capacitor impedance. The bulk ionic conductivities of SBT and SBN (∼10 -7 S/cm) are much higher than those of the perovskite ferroelectrics, e.g., PZT (∼10 -11 -10 -10 S/cm). The high ionic conductivities led us to conclude that the good fatigue resistance of SrBi 2 Ta 2 O 9 and SrBi 2 Nb 2 O 9 is due to easy recovery of defects. Specifically, oxygen vacancies entrapped within the capacitors are easily released, resulting in limited space charge buildup and domain wall pinning during the polarization reversal process. However, the oxygen vacancies in PZT are trapped at trap sites to become space charges, resulting in capacitor fatigue. copyright 1997 Materials Research Society

Effects of Nb doping level on the electronic transport, photoelectric effect and magnetoresistance across La0.5Ca0.5MnO3/Nb:SrTiO3 junctions

Science.gov (United States)

Wang, J. F.; Jiang, Y. C.; Chen, M. G.; Gao, J.

2013-12-01

Heterojunctions composed of La0.5Ca0.5MnO3 and Nb doped SrTiO3 were fabricated, and the effects of the Nb doping level on their electronic transport, photoelectric effect, and magnetoresistance were investigated. A lower doping concentration of Nb led to better rectifying properties and higher open circuit voltages. The I-V curves for La0.5Ca0.5MnO3/0.7 wt. % Nb-SrTiO3 showed a negligible response to magnetic fields for all temperatures, whereas La0.5Ca0.5MnO3/0.05 wt. % Nb-SrTiO3 exhibited distinct magnetoresistance, which depended on both the bias voltage and temperature. These results are discussed with the assistance of conventional semiconductor theories.

Production of superconducting Nb3Sn wire using Nb or Nb(Ti) and Sn(Ga) solid solution powders

International Nuclear Information System (INIS)

Thieme, C.L.H.; Foner, S.

1991-01-01

This paper reports on superconducting Nb 3 Sn wire produced by the powder metallurgy method using Nb or Nb-2.9 at% Ti powder in combination with Sn-x at% Ga powders (x = 3, 4.2, 6.2 and 9.0). Ga additions to the Sn caused considerable solid solution hardening which improved its workability. It made the Nb-Sn(Ga) powder combinations convenient for swaging and extensive wire drawing. Anneals at 950 degrees C produced wires with an overall J c of 10 4 A/cm 2 at 21.9 T for wires with both Ti in the Nb and 6.2 at% Ga in the Sn. Comparison of this wire with the best Nb(Ti)-Cu-internal Sn(Ti) shows a higher J c per A15 areas, especially in fields of 22T and above

Flux-assisted synthesis of SnNb2O6 for tuning photocatalytic properties

KAUST Repository

Noureldine, Dalal; Anjum, Dalaver H.; Takanabe, Kazuhiro

2014-01-01

A flux-assisted method was used to synthesize SnNb2O6 as a visible-light-responsive metal oxide photocatalyst. The role of flux was investigated in detail using different flux to reactant molar ratios (1 : 1, 3 : 1, 6 : 1, 10 : 1, and 14 : 1

Non-stoichiometry in the KMo2P3O12-tunnel structure: The oxide K0.75MoNbP3O12

International Nuclear Information System (INIS)

Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B.

1990-01-01

K 0.75 MoNbP 3 O 12 , M r =503.009, orthorhombic, Pbcm, a=8.8518 (5), b=9.1453 (11), c=12.5174 (11) A, V=1013.3 (3) A 3 , Z=4, D x =3.300 Mg m -3 , λ(Mo Kα)=0.71073 A, μ=3.13 mm -1 , F(000)=953, T=294 K, R=0.029, wR=0.033 for 1235 observed reflections. This compound is isostructural with KMo 2 P 3 O 12 -type oxides. Its framework is built up from MoO 6 octahedra and PO 4 tetrahedra which delimit tunnels running along b. Different from KMo 2 P 3 O 12 , the tunnels are partly occupied by the potassium ions which are distributed at random. (orig.)

Strengthening from Nb-rich clusters in a Nb-microalloyed steel

International Nuclear Information System (INIS)

Xie, Kelvin Y.; Zheng, Tianxiao; Cairney, Julie M.; Kaul, Harold; Williams, James G.; Barbaro, Frank J.; Killmore, Chris R.; Ringer, Simon P.

2012-01-01

We demonstrate that a Nb-microalloyed ultra-thin cast strip steel can be strengthened substantially without compromising ductility by performing a simple heat treatment at 700 °C for 4 min. The strengthening was attributed to a fine dispersion of Nb-rich solute atom clusters. These clusters had an average size of ∼60 atoms at peak hardness and resembled Guinier–Preston zones in Al–Cu alloys. The application of the Ashby–Orowan equation indicates that these clusters are potent strengthening agents when compared to conventional Nb(C,N) precipitation strengthening.

Precipitation of HNbO{sub 3} at the Ti:LiNbO{sub 3} surface

Energy Technology Data Exchange (ETDEWEB)

Kalabin, Ivan E.; Grigorieva, Tatiana I.; Pokrovsky, Lev D.; Atuchin, Victor V

2004-03-30

The conditions of HNbO{sub 3} precipitation on the lithium niobate single-crystal and titanium diffused lithium niobate, LiNbO{sub 3} (LN) were studied. It has been shown, that the maximum of HNbO{sub 3} precipitation corresponds to the highest humidity of atmosphere at the annealing temperatures of 800-850 deg. C for 5-10 h. Moreover, the application of humid atmosphere during the annealing of LN at 600-850 deg. C does not ensure in full measure the lack of LiNb{sub 3}O{sub 8} precipitation.

A Combined Variable-Temperature Neutron Diffraction and Thermogravimetric Analysis Study on a Promising Oxygen Electrode, SrCo0.9Nb0.1O3-δ, for Reversible Solid Oxide Fuel Cells.

Science.gov (United States)

Yang, Tianrang; Wang, Jie; Chen, Yan; An, Ke; Ma, Dong; Vogt, Thomas; Huang, Kevin

2017-10-11

The present study investigates the temperature-structure-stoichiometry relationship of a promising oxygen electrode SrCo 0.9 Nb 0.1 O 3-δ over a temperature (T) range from room temperature (RT) to 900 °C. The techniques employed are variable-temperature neutron diffraction (VTND) and thermogravimetric analysis (TGA). At T < 75 °C, VTND reveals a tetragonal (P4/mmm) structure with a G-type magnetic ordering. Above 75 °C, the nucleus structure remains the same, while the magnetic ordering disappears. A phase transition from tetragonal (P4/mmm) to cubic (Pm3̅m) is observed at 412 °C, where the two Co sites and three O sites in the P4/mmm phase converge to one equivalent site, respectively. The phase transition temperature coincides with the peak temperature of oxygen uptake obtained by TGA. It is also observed that the Nb dopant has no preferred Co site to occupy. The oxygen vacancies are mostly located at the O3 site surrounding the Co2 site in the P4/mmm structure. The intermediate-spin state of Co 3+ at the Co2 site is responsible for the observed distortions of CoO 6 octahedra, i.e., elongation of Co2O 6 octahedra and shortening of Co1O 6 octahedra along the c-axis, which is a phenomenon known as Jahn-Teller distortion. At high temperatures, large thermal displacement factor for O 2- is observed with high concentration of oxygen vacancies, providing a structural environment favorable to high O 2- conductivity in Nb-doped SrCoO 3 -based oxygen electrode materials.

Temperature compensation effects of TiO2 on Ca[(Li1/3Nb2/3)0.8Sn0.2]O3-δ microwave dielectric ceramic

Science.gov (United States)

Hu, Mingzhe; Wei, Huanghe; Xiao, Lihua; Zhang, Kesheng; Hao, Yongde

2017-10-01

The crystal structure and dielectric properties of TiO2-modified Ca[(Li1/3Nb2/3)0.8Sn0.2]O3-δ microwave ceramics are investigated in the present paper. The crystal structure is probed by XRD patterns and their Rietveld refinement, results show that a single perovskite phase is formed in TiO2-modified Ca[(Li1/3Nb2/3)0.8Sn0.2]O3-δ ceramics with the crystal structure belonging to the orthorhombic Pbnm 62 space group. Raman spectra results indicate that the B-site order-disorder structure transition is a key point to the dielectric loss of TiO2-modified Ca[(Li1/3Nb2/3)0.8Sn0.2]O3-δ ceramics at microwave frequencies. After properly modified by TiO2, the large negative temperature coefficient of Ca[(Li1/3Nb2/3)0.8Sn0.2]O3-δ ceramic can be compensated and the optimal microwave dielectric properties can reach 𝜀r = 25.66, Qf = 18,894 GHz and TCF = -6.3 ppm/∘C when sintered at 1170∘C for 2.5 h, which manifests itself for potential use in microwave dielectric devices for modern wireless communication.

New Pb(Mg1/3Nb2/3)O3-Pb(In1/2Nb1/2)O3-PbZrO3-PbTiO3 Quaternary Ceramics: Morphotropic Phase Boundary Design and Electrical Properties.

Science.gov (United States)

Luo, Nengneng; Zhang, Shujun; Li, Qiang; Xu, Chao; Yang, Zhanlue; Yan, Qingfeng; Zhang, Yiling; Shrout, Thomas R

2016-06-22

Four series of Pb(Mg1/3Nb2/3)O3-Pb(In1/2Nb1/2)O3-PbZrO3-PbTiO3 (PMN-PIN-PZ-PT) quaternary ceramics with compositions located at the morphotropic phase boundary (MPB) regions were prepared. The MPBs of the multicomponent system were predicted using a linear combination rule and experimentally confirmed by X-ray powder diffraction and electrical measurement. The positions of MPBs in multicomponent systems were found in linear correlation with the tolerance factor and ionic radii of non-PT end-members. The phase structure, piezoelectric coefficient, electromechanical coupling coefficient, unipolar strains, and dielectric properties of as-prepared ceramics were systematically investigated. The largest d33s were obtained at S36.8, L37.4, M39.6, and N35.8, with the corresponding values of 580, 450, 420, and 530 pC/N, respectively, while the largest kps were found at S34.8, L37.4, M39.6, and N35.8, with the respective values of 0.54, 0.50, 0.47, and 0.53. The largest unipolar strain Smax and high-field piezoelectric strain coefficients d33* were also observed around the respective MPB regions. The rhombohedral-to-tetragonal phase transition temperature Trt increased with increasing PIN and PZ contents. Of particular importance is that high Trt of 140-197 °C was achieved in the M series with PZ and PIN contents being around 0.208 and 0.158, which will broaden the temperature usage range.

Electrochemical Stability of Li6.5La3Zr1.5M0.5O12 (M = Nb or Ta) against Metallic Lithium

International Nuclear Information System (INIS)

Kim, Yunsung; Yoo, Aeri; Schmidt, Robert; Sharafi, Asma; Lee, Heechul; Wolfenstine, Jeff; Sakamoto, Jeff

2016-01-01

The electrochemical stability of Li 6.5 La 3 Zr 1.5 Nb 0.5 O 12 (LLZNO) and Li 6.5 La 3 Zr 1.5 Ta 0.5 O 12 (LLZTO) against metallic Li was studied using direct current (DC) and electrochemical impedance spectroscopy (EIS). Dense polycrystalline LLZNO (ρ = 97%) and LLZTO (ρ = 92%) were made using sol–gel synthesis and rapid induction hot-pressing at 1100°C and 15.8 MPa. During DC cycling tests at room temperature (± 0.01 mA/cm 2 for 36 cycles), LLZNO exhibited an increase in Li–LLZNO interface resistance and eventually short-circuiting while the LLZTO was stable. After DC cycling, LLZNO appeared severely discolored while the LLZTO did not change in appearance. We believe the increase in Li–LLZNO interfacial resistance and discoloration are due to reduction of Nb 5+ to Nb 4+ . The negligible change in interfacial resistance and no color change in LLZTO suggest that Ta 5+ may be more stable against reduction than Nb 5+ in cubic garnet versus Li during cycling.

Effect of [Li]/[Nb] ratio on composition and defect structure of Zr:Yb:Tm:LiNbO3 crystals

Science.gov (United States)

Liu, Chunrui; Dai, Li; Wang, Luping; Shao, Yu; Yan, Zhehua; Xu, Yuheng

2018-04-01

Zr:Yb:Tm:LiNbO3 crystals with various [Li]/[Nb] ratios (0.946, 1.05, 1.20 and 1.38) were grown by the Czochralski technique. Distribution coefficients of Zr4+, Yb3+ and Tm3+ ions were analyzed by the inductively coupled plasma-atomic emission spectrometer (ICP-AES). The influence of [Li]/[Nb] ratio on the composition and defect structure of Zr:Yb:Tm:LiNbO3 crystals was investigated by X-ray diffraction and IR transmission spectrum. The results show that as the [Li]/[Nb] ratio increases in the melt, the distribution coefficients of Yb3+ and Tm3+ ions both increase while that of Zr4+ ion deceases. When the [Li]/[Nb] ratio increases to 1.20 in the melt, Zr:Yb:Tm:LiNbO3 crystal is nearly stoichiometric. In addition, when the [Li]/[Nb] ratio reaches up to 1.38, NbLi4+ are completely replaced and Li+ starts to impel the Zr4+, Yb3+ and Tm3+ into the normal Li sites.

Direction-dependent RBS channelling studies in ion implanted LiNbO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Wendler, E., E-mail: elke.wendler@uni-jena.de; Becker, G.; Rensberg, J.; Schmidt, E.; Wolf, S.; Wesch, W.

2016-07-15

Damage formation in ion implanted LiNbO{sub 3} was studied by Rutherford backscattering spectrometry (RBS) along various directions of the LiNbO{sub 3} crystal. From the results obtained it can be unambiguously concluded that Nb atoms being displaced during ion implantation preferably occupy the free octahedron sites of the LiNbO{sub 3} lattice structure and most likely also form Nb{sub Li} antisite defects.

Phase relations, crystal structure, and phase transformation of In_1_−_xNb_1_−_xTi_2_xO_4 (0 ≤ x < 0.45) in In_2O_3–Nb_2O_5–TiO_2 system

International Nuclear Information System (INIS)

Su, Liumei; Fan, Xing; Cai, Gemei; Liu, Huashan; Jin, Zhanpeng

2015-01-01

Phase relations, crystal structures, and phase transformation of In_1_−_xNb_1_−_xTi_2_xO_4 (0 ≤ x < 0.45) in In_2O_3–Nb_2O_5–TiO_2 ternary system were investigated for the first time. A number of samples with different compositions were prepared by a solid-state reaction method, and phase assembles were analyzed by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), and electron probe micro-analysis (EPMA). Five three-phase regions, ten two-phase regions, and six single-phase solid solutions were determined in this system. The solid solution of In_1_−_xNb_1_−_xTi_2_xO_4 (0 ≤ x < 0.45) is composed of both ordered monoclinic wolframite-type structure (0 ≤ x < 0.35) and disordered orthorhombic α-PbO_2 type structure (0.35 < x < 0.45). Driving force for composition-driven phase transformation in In_1_−_xNb_1_−_xTi_2_xO_4 (0 ≤ x < 0.45) stems from the ordering of cations. The ever reported compound InNbTiO_6 with an orthorhombic α-PbO_2 type structure was amended to be a monoclinic wolframite-type structure. Present investigations will be useful for the whole ceramic community working with In_2O_3–Nb_2O_5–TiO_2 ternary system as well as for the development of functional materials. - Highlights: • Phase relations of In_2O_3–Nb_2O_5–TiO_2 ternary system were constructed. • Crystal structures of a novel solid solution In_1_−_xNb_1_−_xTi_2_xO_4 were determined. • Crystal structure of InNbTiO_6 was amended to be a wolframite-type structure. • Composition-driven phase transformation of In_1_−_xNb_1_−_xTi_2_xO_4 was investigated.

Mechanism of formation of perovskite phase and dielectric properties of Pb(Zn,Mg)1/3Nb2/3O3 ceramics prepared by columbite precursor routes

International Nuclear Information System (INIS)

Jang, H.M.; Cho, S.R.; Lee, K.M.

1995-01-01

The mechanism of formation of the perovskite phase and the dielectric properties of Pb(Zn,Mg) 1/3 Nb 2/3 O 3 (PZMN) ceramics were examined using two different types of columbite precursors, (Mg,Zn)Nb 2 O 6 (MZN) and MgNb 2 O 6 + ZnNb 2 O 6 (MN + ZN). The formation of perovskite phase in the PbO + MN + ZN system is characterized by an initial rapid formation of Mg-rich perovskite phase, followed by a sluggish formation of Zn-rich perovskite phase. On the other hand, due to the formation of pyrochlore phase of mixed divalent cations Pb 2-x (Zn,Mg) y Nb 2-y O 7-x-3y/2 , the pyrochlore/perovskite transformation in the PbO + MZN system proceeded uniformly with a spatial homogeneity. Further analysis suggested that the formation of perovskite phase is a diffusion-controlled process. The degree of diffuseness of the rhombohedral/cubic phase transition (DPT) is higher in the PbO + MN + ZN system than in the PbO + MZN specimen for T > T max (temperature of the dielectric permittivity maximum), indicating a broadened compositional distribution of the B-site cations in the PbO + MN + ZN system

Microestructura y piezoelectricidad de cerámicas de Bi3TiNbO9 obtenidas a partir de precursores activados mecanoquimicamente

Directory of Open Access Journals (Sweden)

Jiménez, B.

1999-12-01

Full Text Available Bi3TiNbO9 is one of the Aurivilius-type structure compounds, of general formula [Bi2O2][An-1BnO3n+1], made from pseudoperovskite (with n=2 layers alternating with Bi2O2 layers. It belongs to an ensemble of high transition temperature ferroelectrics that attracts nowadays a great deal of interest as piezoelectric materials for high temperature use (p.e. in non-destructive testing of materials by ultrasounds for siderurgy, nuclear plants or petrochemical industry. When prepared as thin films, they have interest as non-volatile computer memories (FERAM, due to their reduced fatigue, large polarization retention and low leakage currents. In solid state reaction and sintering, the lamellae-like growing habit, that resembles the layered crystalline structure, gives place to porous ceramics. Previous works used hot uniaxial pressing in order to obtain dense ceramics at low temperatures, avoiding changes in stoichiometry and exagerated grain growth. But, such ceramics have anisotropic properties. In order to overcome these problems, Bi3TiNbO9 ceramics were obtained by cold-pressing of amorphous powder and sintering. The amorphous precursor was obtained by mechanochemical activation of a stoichiometric oxides mixture. The quantitative microstructural, ferro and piezoelectric characterization of the ceramics reveals that these ceramics have lower porosity, higher hardness, are better polarizable and show higher piezoelectric response that those prepared from solid state reaction powder.El compuesto Bi3TiNbO9 presenta una estructura tipo Aurivillius, de fórmula general [Bi2O2][An-1BnO3n+1], constituida por capas de pseudo-perovskita (con n=2 intercaladas con capas de Bi2O2. Pertenece a una familia de ferroeléctricos de alta temperatura de transición, que son interesantes como materiales piezoeléctricos para usos a alta temperatura y, cuando se preparan en lámina delgada, en su aplicación en memorias ferroeléctricas no volátiles (FERAM. La

Far-infrared spectroscopy in ordered and disordered BaMg1/3Nb2/3O3 microwave ceramics

Science.gov (United States)

Dias, Anderson; Moreira, Roberto Luiz

2003-09-01

Ba(Mg1/3Nb2/3)O3 ceramics with suitable microwave dielectric properties for application in wireless communications and information access technologies were studied by far-infrared spectroscopy. Samples with different B-site ordering degrees, obtained by hydrothermal synthesis followed by sintering at various temperatures, were employed in this investigation. The sixteen infrared modes predicted by factor-group analysis were observed and adjusted according to a four-parameter semiquantum model. The dispersion parameters were determined in order to calculate the real part of the dielectric permittivity and the quality factors associated with the dielectric losses in the microwave region. The materials exhibited increasing ɛ0 and Q values up to 1100 °C, increasing more substantially when the temperature attained 1300 °C. The B-site ordering played an important role on this behavior along with the microstructural evolution above 1100 °C (grain growth), which also increased the phonon lifetime and contributed to the Q improvement. Kramers-Kronig analyses were carried out in all experimental data and the contributions of the main optical polar modes to the dielectric and microwave properties were carefully analyzed in order to identify and attribute the Ba-BO3 external mode, the inner modes related to the O-Mg-O and O-Nb-O bending vibrations, and the stretching modes of each MgO6 and NbO6 octahedron.

Crystal structure and optical property of complex perovskite oxynitrides ALi0.2Nb0.8O2.8N0.2, ANa0.2Nb0.8O2.8N0.2, and AMg0.2Nb0.8O2.6N0.4 (A = Sr, Ba)

Science.gov (United States)

Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il

2017-10-01

Oxynitride type complex perovskites AM0.2Nb0.8O3-xNx (A = Sr, Ba; M = Li, Na, Mg) were newly synthesized by the solid state diffusion of Li+, Na+, or Mg2+ into the layered oxide, A5Nb4O15, with concurrent O/N substitution. Neutron and synchrotron X-ray Rietveld refinement showed that SrLi0.2Nb0.8O2.8N0.2, SrNa0.2Nb0.8O2.8N0.2, and SrMg0.2Nb0.8O2.6N0.4 had body-centered tetragonal symmetry (I4/mcm), while those with A = Ba had simple cubic symmetry (Pm 3 ̅ m). In the tetragonal Sr-compounds, the nitrogen atoms were localized on the c-axial 4a site. However, the octahedral cations, M/Nb (M = Li, Na, Mg) were distributed randomly in all six compounds. The lattice volume of AM0.2Nb0.8O3-xNx was dependent on various factors including the type of A and the electronegativity of M. Compared to the simple perovskites, ANbO2N (A = Sr, Ba), AM0.2Nb0.8O3-xNx had wider band gaps (1.76-2.15 eV for A = Sr and 1.65-2.10 eV for A = Ba), but significantly lower sub-gap absorption.

Molecular magnetism of M6 hexagon ring in D(3d) symmetric [(MCl)6(XW9O33)2](12-) (M = Cu(II) and Mn(II), X = Sb(III) and As(III)).

Science.gov (United States)

Yamase, Toshihiro; Ishikawa, Hirofumi; Abe, Hiroko; Fukaya, Keisuke; Nojiri, Hiroyuki; Takeuchi, Hideo

2012-04-16

Ferromagnetic [n-BuNH(3)](12)[(CuCl)(6)(SbW(9)O(33))(2)]·6H(2)O (1) and antiferromagnetic [n-BuNH(3)](12)[(MnCl)(6)(AsW(9)O(33))(2)]·6H(2)O (4) have been synthesized and structurally and magnetically characterized. Two complexes are structural analogues of [n-BuNH(3)](12)[(CuCl)(6)(AsW(9)O(33))(2)]·6H(2)O (2) and [n-BuNH(3)](12)[(MnCl)(6)(SbW(9)O(33))(2)]·6H(2)O (3) with their ferromagnetic interactions, first reported by us in 2006. (1) When variable temperature (T) direct current (dc) magnetic susceptibility (χ(M)) data are analyzed with the isotropic exchange Hamiltonian for the magnetic exchange interactions, χ(M)T vs T curves fitted by a full matrix diagonalization (for 1) and by the Kambe vector coupling method/Van Vleck's approximation (for 4) yield J = +29.5 and -0.09 cm(-1) and g = 2.3 and 1.9, respectively. These J values were significantly distinguished from +61.0 and +0.14 cm(-1) for 2 and 3, respectively. The magnetization under the pulsed field (up to 10(3) T/s) at 0.5 K exhibits hysteresis loops in the adiabatic process, and the differential magnetization (dM/dB) plots against the pulsed field display peaks characteristic of resonant quantum tunneling of magnetization (QTM) at Zeeman crossed fields, indicating single-molecule magnets for 1-3. High-frequency ESR (HFESR) spectroscopy on polycrystalline samples provides g(∥) = 2.30, g(⊥) = 2.19, and D = -0.147 cm(-1) for 1 (S = 3 ground state), g(∥) = 2.29, g(⊥) = 2.20, and D = -0.145 cm(-1) for 2 (S = 3), and g(∥) = 2.03 and D = -0.007 cm(-1) for 3 (S = 15). An attempt to rationalize the magnetostructural correlation among 1-4, the structurally and magnetically modified D(3d)-symmetric M (=Cu(II) and Mn(II))(6) hexagons sandwiched by two diamagnetic α-B-[XW(9)O(33)](9-) (X = Sb(III) and As(III)) ligands through M-(μ(3)-O)-W linkages, is made. The strongest ferromagnetic coupling for the Cu(6) hexagon of 2, the structure of which approximately provides the Cu(6)(μ(3)-O)(12

Ag+ implantation in Al2O3, LiNbO3 and quartz

International Nuclear Information System (INIS)

Rahmani, M.; Townsend, P.D.

1989-01-01

Silver implantation in insulators produces colloids whose growth is a function of ion dose, ion energy, implant temperature and crystal orientation. Data for three materials are compared. Colloid growth is favoured by higher energy implants at temperatures where the silver is mobile. Preferential diffusion along the Z axis of Al 2 O 3 , LiNbO 3 and quartz results in a higher fraction of the implanted silver ions appearing in the form of colloids for Y cut crystals than for those of Z cut. Annealing characteristics also show a strong dependence on crystal cut. For the LiNbO 3 the colloids in Z cut crystals anneal most rapidly whereas for Al 2 O 3 those in Y cut material are least stable, their loss being accompanied by a reduction in F centres. (author)

Fe3Nb3N precipitates of the Fe3W3C type in Nb stabilized ferritic stainless steel

International Nuclear Information System (INIS)

Malfliet, A.; Van den Broek, W.; Chassagne, F.; Mithieux, J.-D.; Blanpain, B.; Wollants, P.

2011-01-01

Highlights: → The precipitation in Nb stabilized ferritic stainless steel at 950 deg. C is investigated. → We characterized the Fe 3 Nb 3 X precipitates with SAED, EELS, WDS and AES. → We found that Fe 3 Nb 3 X precipitates are stabilized by N and not by C or O. → This insight is new and important for future development of this type of steel grade. - Abstract: A Nb stabilized ferritic stainless steel with 0.45 wt.%Nb, 82 ppm C and 170 ppm N is investigated to reveal the nature of the precipitates present at 950 deg. C. In particular, Fe 3 Nb 3 X precipitates of the Fe 3 W 3 C type are analyzed with WDS and EELS to determine the light elements X stabilizing this phase in the steel. According to WDS on large precipitates after 500 h at 950 deg. C, the Fe 3 Nb 3 X phase contains 10.4 at.% N, 1.2 at.% O and 1.0 at.% C. Auger Electron Spectroscopy on the same precipitates confirms the presence of N. In addition, it is revealed that the C and O peaks observed with WDS result from surface contamination as they disappear after Ar sputtering. The presence of a N peak in the EELS spectra of small Fe 3 Nb 3 X precipitates which have formed after 6 min at 950 deg. C indicate that N stabilizes this phase already from the initial precipitation stage. With this analysis it is demonstrated that N is an effective stabilizer of Fe 3 Nb 3 X precipitates in ferritic stainless steels. The formation of this phase should therefore be considered when predicting the precipitation behavior of Nb in industrial Nb stabilized ferritic stainless steels containing residual N.

Photocatalytic hydrogen generation with Ag-loaded LiNbO3

Indian Academy of Sciences (India)

Administrator

rhodamine B decomposition under solar illumination was also reported (Stock ... photocatalytic hydrogen production. ... lytic hydrogen production from a methanol aqueous solu- .... estimated bandgap energy of Nb2O5 and LiNbO3 samples.

Synthesis and some properties of monocrystals. [Monocrystals-SbTiNbO6

Energy Technology Data Exchange (ETDEWEB)

Popolitov, V I; Yaroslavskij, I M

1985-01-01

The Sb2O3-Nb2O5-TiO2- KHF2-H2O2-H2O system was studied in search for new ferroelectric monocrystals containing oxide forms of antimony, niobium and tantalum. The new compounds were synthesized in batch autoclaves at 500-600 deg, temperature gradient along the vertical autoclave axis being 0.2-0.5 degr/cm. The SbTiNbO6 monocrystals formed as a result of hydrothermal synthesis are assigned to rhombic crystal structure, their electric conductivity and dielectric permittivity at room temperature are 10 S xcm and 75, respectively. Differential thermal analysis of samples has shown the presence of phase transformation in them in the 270 to 280 range. Pyroelectric effect has been observed in monocrystals in the -180 to +280 deg range. The synthesized antimony titaniobate is concluded to be a ferroelectric with the Curie point Tsub(C)=280 +- 10 deg.

Properties study of LiNbO3 lateral field excited device working on thickness extension mode

International Nuclear Information System (INIS)

Zhi-Tian, Zhang; Ting-Feng, Ma; Chao, Zhang; Wen-Yan, Wang; Yan, Liu; Guan-Ping, Feng

2010-01-01

This paper investigates the properties of thickness extension mode excited by lateral electric field on LiNbO 3 by using the extended Christoffel–Bechmann method. It finds that the lateral field excitation coupling factor for a-mode (quasi-extensional mode) reaches its maximum value of 28% on X-cut LiNbO 3 . The characteristics of a lateral field excitation device made of X-cut LiNbO 3 have been investigated and the lateral field excitation device is used for the design of a high frequency ultrasonic transducer. The time and frequency domain pulse/echo response of the LiNbO 3 lateral field excitation ultrasonic transducer is analysed with the modified Krimholtz–Leedom–Matthae model and tested using traditional pulse/echo method. A LiNbO 3 lateral field excitation ultrasonic transducer with the centre frequency of 33.44 MHz and the −6 dB bandwidth of 33.8% is acquired, which is in good agreement with the results of the Krimholtz–Leedom–Matthae model. Further analysis suggests that the LiNbO 3 lateral field excitation device has great potential in the design of broadband high frequency ultrasonic transducers. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Structural study of Sr0.3Ba0.7Nb2O6 and La0.030Sr0.255Ba0.700Nb2O6 ceramic systems

International Nuclear Information System (INIS)

Luna-Lopez, J.A.; Portelles, J.; Raymond, O.; Siqueiros, J.M.

2009-01-01

Sr 0.3 Ba 0.7 Nb 2 O 6 (SBN) and La 0.030 Sr 0.255 Ba 0.700 Nb 2 O 6 (LSBN) ceramic compounds have been prepared using the traditional ceramic method at two different calcination temperatures (900 and 1000 deg. C) and later sintered both at 1400 deg. C. A study of the effects of the calcination temperatures and La substitution on the morphological, compositional, and structural properties of SBN and LSBN is presented using scanning electronic microscopy (SEM), energy dispersive spectroscopy (EDS), and X-ray diffraction (XRD) analysis. From Rietveld refinement processes, the XRD patterns were interpreted to evaluate such effects in the structural parameters and the site occupation factors of the heavy metals and oxygen atoms. The effect of the incorporation of La resulted in a 0.25% cell contraction and turned out to be higher than the 0.08% dilation effect produced by the increase of calcination temperature. The La ion with similar effective ionic radius and higher electronegativity is incorporated into the structure occupying the A 1 site just like the Sr ions in the SBN compound. Differences in the site occupation factors between the SBN and LSBN samples lead to substantial changes in the physical properties such as temperature of relative dielectric constant maximum, relative dielectric constant, and dielectric loss, correlated with the distortion and the relative orientation of the oxygen octahedra.

Quenching effects on crystallographic and optical properties of H : LiNbO{sub 3} layers

Energy Technology Data Exchange (ETDEWEB)

Kalabin, I E [Institute of Semiconductor Physics, SB RAS, Lavrentiev Ave. 13, Novosibirsk, 630090 (Russian Federation); Shevtsov, D I [Perm Scientific-Industrial Instrument-Making Company, 25-October St. 106, Perm 614990 (Russian Federation); Azanova, I S [Perm Scientific-Industrial Instrument-Making Company, 25-October St. 106, Perm 614990 (Russian Federation); Taysin, I F [Perm Scientific-Industrial Instrument-Making Company, 25-October St. 106, Perm 614990 (Russian Federation); Atuchin, V V [Institute of Semiconductor Physics, SB RAS, Lavrentiev Ave. 13, Novosibirsk, 630090 (Russian Federation); Volyntsev, A B [Perm State University, 15 Bukireva St., Perm, 614990 (Russian Federation); Shilov, A N [Perm State University, 15 Bukireva St., Perm, 614990 (Russian Federation)

2004-07-07

The formation and decay of high temperature phases in H{sub x}Li{sub 1-x}NbO{sub 3} waveguide layers have been studied by means of waveguide mode spectroscopy and x-ray rocking curve measuring. The hydrogen doped layers with x {approx} 0.47 in (001) LiNbO{sub 3} were created by proton exchange reaction in melt benzoic acid. The high temperature phases were frozen by quenching from T 200 deg. C. It has been shown that these phases possess a 9% higher refractive index and 16% lower deformation in reference to the characteristic of H{sub x}Li{sub 1-x}NbO{sub 3} phase equilibrium at room conditions. The relaxation of the high temperature phase to the equilibrium one has been traced at T = 100 deg. C.

Perovskite SrCo0.9 Nb0.1 O3-δ as an Anion-Intercalated Electrode Material for Supercapacitors with Ultrahigh Volumetric Energy Density.

Science.gov (United States)

Zhu, Liang; Liu, Yu; Su, Chao; Zhou, Wei; Liu, Meilin; Shao, Zongping

2016-08-08

We have synthesized and characterized perovskite-type SrCo0.9 Nb0.1 O3-δ (SCN) as a novel anion-intercalated electrode material for supercapacitors in an aqueous KOH electrolyte, demonstrating a very high volumetric capacitance of about 2034.6 F cm(-3) (and gravimetric capacitance of ca. 773.6 F g(-1) ) at a current density of 0.5 A g(-1) while maintaining excellent cycling stability with a capacity retention of 95.7 % after 3000 cycles. When coupled with an activated carbon (AC) electrode, the SCN/AC asymmetric supercapacitor delivered a specific energy density as high as 37.6 Wh kg(-1) with robust long-term stability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanoscale decomposition of Nb-Ru-O

Science.gov (United States)

Music, Denis; Geyer, Richard W.; Chen, Yen-Ting

2016-11-01

A correlative theoretical and experimental methodology has been employed to explore the decomposition of amorphous Nb-Ru-O at elevated temperatures. Density functional theory based molecular dynamics simulations reveal that amorphous Nb-Ru-O is structurally modified within 10 ps at 800 K giving rise to an increase in the planar metal - oxygen and metal - metal population and hence formation of large clusters, which signifies atomic segregation. The driving force for this atomic segregation process is 0.5 eV/atom. This is validated by diffraction experiments and transmission electron microscopy of sputter-synthesized Nb-Ru-O thin films. Room temperature samples are amorphous, while at 800 K nanoscale rutile RuO2 grains, self-organized in an amorphous Nb-O matrix, are observed, which is consistent with our theoretical predictions. This amorphous/crystalline interplay may be of importance for next generation of thermoelectric devices.

Generation of femtosecond laser pulses at 263 nm by K3B6O10Cl crysta*

International Nuclear Information System (INIS)

Zhang Ning-Hua; He Peng; Huang Hang-Dong; Zhu Jiang-Feng; Tian Wen-Long; Fang Shao-Bo; Teng Hao; Wei Zhi-Yi; Wu Hong-Ping; Pan Shi-Lie

2017-01-01

The third harmonic generation (THG) of a linear cavity Ti:sapphire regenerative amplifier by use of a K 3 B 6 O 10 Cl (KBOC) crystal is studied for the first time. Output power up to 5.9 mW is obtained at a central wavelength of 263 nm, corresponding to a conversion efficiency of 4.5% to the second harmonic power. Our results show a tremendous potential for nonlinear frequency conversion into the deep ultraviolet range with the new crystal and the output laser power can be further improved. (paper)

Surface activation of MnNb{sub 2}O{sub 6} nanosheets by oxalic acid for enhanced photocatalysis

Energy Technology Data Exchange (ETDEWEB)

Wu, Junshu; Wang, Jinshu, E-mail: wangjsh@bjut.edu.cn; Li, Hongyi; Li, Yongli; Du, Yucheng; Yang, Yilong; Jia, Xinjian

2017-05-01

Graphical abstract: Visible light driven photoreduction of Cr(VI) over MnNb{sub 2}O{sub 6} nanosheets is enhanced via oxalic acid surface complex to generate activation layer. - Highlights: • MnNb{sub 2}O{sub 6} nanosheets are crystallized by a surface capping route of sulfonate groups. • Oxalic acid on MnNb{sub 2}O{sub 6} nanosheets forms an excited surface complex hybrid layer. • Surface activation enhances visible-light induced reduction of Cr(VI) into Cr(III). - Abstract: MnNb{sub 2}O{sub 6} nanosheets (P-MNOs) is selectively crystallized by using surface capping ligand with functional sulfonate group (sodium dodecyl benzene sulphonate), which binds to the (131) surface of MnNb{sub 2}O{sub 6} inducing the morphology-controlled crystallization of MnNb{sub 2}O{sub 6} materials. Surface modification of photoactive P-MNOs with electron-rich oxalic acid ligands establishes an excited surface complex layer on phase-pure P-MNO as evidenced by spectroscopic analyses (FT-IR, UV–vis, Raman, PL, etc.), and thus more efficiently photocatalyzes the reduction of Cr(VI) into Cr(III) than solely P-MNOs or oxalic acid under visible light (λ > 420 nm) via a ligand-to-metal interfacial electron transfer pathway. However, the interaction between oxalic acid and MnNb{sub 2}O{sub 6} is highly dependent upon the morphology of solid MnNb{sub 2}O{sub 6} substrate due to the higher surface-area-to-volume ratio and higher surface activity of (131) planes in the sheet-like morphology. This study could assist the construction of stable niobate material systems to allow a versatile solid surface activation for establishing more energy efficient and robust catalysis process under visible light.

NMR study of ligand exchange and electron self-exchange between oxo-centered trinuclear clusters [Fe3(μ3-O)(μ-O2CR)6(4-R'py)3](+/0).

Science.gov (United States)

Novitchi, Ghenadie; Helm, Lothar; Anson, Christopher; Powell, Annie K; Merbach, André E

2011-10-17

The syntheses, single crystal X-ray structures, and magnetic properties of the homometallic μ₃-oxo trinuclear clusters [Fe₃(μ₃-O)(μ-O₂CCH₃)₆(4-Phpy)₃](ClO₄) (1) and [Fe₃(μ₃-O)(μ-O₂CAd)₆(4-Mepy)₃](NO₃) (2) are reported (Ad = adamantane). The persistence of the trinuclear structure within 1 and 2 in CD₂Cl₂ and C₂D₂Cl₄ solutions in the temperature range 190-390 K is demonstrated by ¹H NMR. An equilibrium between the mixed pyridine clusters [Fe₃(μ₃-O)(μ-O₂CAd)₆(4-Mepy)(3-x)(4-Phpy)(x)](NO₃) (x = 0, 1, 2, 3) with a close to statistical distribution of these species is observed in CD₂Cl₂ solutions. Variable-temperature NMR line-broadening made it possible to quantify the coordinated/free 4-Rpy exchanges at the iron centers of 1 and 2: k(ex)²⁹⁸ = 6.5 ± 1.3 × 10⁻¹ s⁻¹, ΔH(‡) = 89.47 ± 2 kJ mol⁻¹, and ΔS(‡) = +51.8 ± 6 J K⁻¹ mol⁻¹ for 1 and k(ex)²⁹⁸ = 3.4 ± 0.5 × 10⁻¹ s⁻¹, ΔH(‡) = 91.13 ± 2 kJ mol⁻¹, and ΔS(‡) = +51.9 ± 5 J K⁻¹ mol⁻¹ for 2. A limiting D mechanism is assigned for these ligand exchange reactions on the basis of first-order rate laws and positive and large entropies of activation. The exchange rates are 4 orders of magnitude slower than those observed for the ligand exchange on the reduced heterovalent cluster [Fe(III)₂Fe(II)(μ₃-O)(μ-O₂CCH₃)₆(4-Phpy)₃] (3). In 3, the intramolecular Fe(III)/Fe(II) electron exchange is too fast to be observed. At low temperatures, the 1/3 intermolecular second-order electron self-exchange reaction is faster than the 4-Phpy ligand exchange reactions on these two clusters, suggesting an outer-sphere mechanism: k₂²⁹⁸ = 72.4 ± 1.0 × 103 M⁻¹ s⁻¹, ΔH(‡) = 18.18 ± 0.3 kJ mol⁻¹, and ΔS(‡) = -90.88 ± 1.0 J K⁻¹ mol⁻¹. The [Fe₃(μ₃-O)(μ-O₂CCH₃)₆(4-Phpy)₃](+/0) electron self-exchange reaction is compared with the more than 3 orders of magnitude faster [Ru₃(μ₃-O

Carrier compensation mechanism in heavily Nb-doped anatase Ti{sub 1-x}Nb{sub x}O{sub 2+{delta}} epitaxial thin films

Energy Technology Data Exchange (ETDEWEB)

Nogawa, H; Chikamatsu, A; Hirose, Y; Hasegawa, T [Department of Chemistry, University of Tokyo, Tokyo 113-0033 (Japan); Nakao, S [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan); Kumigashira, H; Oshima, M, E-mail: chikamatsu@chem.s.u-tokyo.ac.jp [Department of Applied Chemistry, University of Tokyo, Tokyo 113-8656 (Japan)

2011-09-14

We investigated the electronic structures of anatase Ti{sub 1-x}Nb{sub x}O{sub 2+{delta}} (TNO) thin films as a function of Nb concentration x using photoemission spectroscopy (PES) measurements to elucidate the origin of the abrupt decrease in carrier activation in heavily Nb-doped regime. The existing intensity ratio of Nb{sup 5+} evaluated from Nb 3d core-level PES spectra maintained a constant value of {approx}0.8 at x = 0.06-0.3, implying that electron carriers generated by Nb doping are compensated by p-type defects. Ti 2p-3d and O1s-2p resonant PES measurements of x = 0.06-0.3 films revealed that the in-gap states positioned {approx}1 eV below the Fermi level (E{sub F}) have a mixed character of Ti 3d and O 2p orbitals, whereas the states at E{sub F} mainly have a Ti 3d nature. We proposed a carrier compensation mechanism that interstitial oxygen atoms strongly combined with surrounding Nb atoms kill conduction electrons in heavily Nb-doped anatase TiO{sub 2}.

Correlation of infrared spectra and phase transitions in annealed proton-exchanged MgO doped LiNbO3

International Nuclear Information System (INIS)

Sun, Jian; Xu, Chang-qing

2015-01-01

Infrared spectra of OH − groups in annealed proton-exchanged (APE) 5 mol. % MgO-doped LiNbO 3 (MgO:LiNbO 3 ) crystals were studied using the Fourier transform infrared spectroscopy technique. Samples were prepared by benzoic acid proton-exchange followed with thermal annealing in oxygen. Evolutions of absorption peaks in APE MgO:LiNbO 3 crystals were recorded and analyzed. Comparing with none-doped APE LiNbO 3 crystals, a different phase transition behavior was found during thermal annealing. A periodically poled MgO:LiNbO 3 slab waveguide was prepared using identical procedures, and the second harmonic generation (SHG) signals were measured. Comparing the obtained SHG results with the infrared spectra, relationships between the phase transitions and the recovery of second-order nonlinear coefficients during thermal annealing were investigated. Finally, a method for optimizing the performance of MgO:LiNbO 3 waveguides was proposed

Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer

Science.gov (United States)

Yao, Hiroshi; Tsubota, Shuhei

2017-08-01

In this article, isolation, exploration of electronic structures, and nuclearity conversion of water-soluble triphenylphosphine monosulfonate (TPPS)-protected nonagold (Au9) clusters are outlined. The Au9 clusters are obtained by the reduction of solutions containing TPPS and HAuCl4 and subsequent electrophoretic fractionation. Mass spectrometry and elemental analysis reveal the formation of [Au9(TPPS)8]5- nonagold cluster. UV-vis absorption and magnetic circular dichroism (MCD) spectra of aqueous [Au9(TPPS)8]5- are quite similar to those of [Au9(PPh3)8]3+ in organic solvent, so the solution-phase structures are likely similar for both systems. Simultaneous deconvolution analysis of absorption and MCD spectra demonstrates the presence of some weak electronic transitions that are essentially unresolved in the UV-vis absorption. Quantum chemical calculations for a model compound [Au9(pH3)8]3+ show that the possible (solution-phase) skeletal structure of the nonagold cluster has D2h core symmetry rather than C4-symmetrical centered crown conformation, which is known as the crystal form of the Au9 compound. Moreover, we find a new nuclearity conversion route from Au9 to Au8; that is, phase transfer of aqueous [Au9(TPPS)8]5- into chloroform using tetraoctylammonium bromide yields [Au8(TPPS)8]6- clusters in the absence of excess phosphine.

Record high-nuclearity polyoxoniobates. Discrete nanoclusters {Nb_1_1_4}, {Nb_8_1}, and {Nb_5_2}, and extended frameworks based on {Cu_3Nb_7_8} and {Cu_4Nb_7_8}

Energy Technology Data Exchange (ETDEWEB)

Jin, Lu; Zhu, Zeng-Kui; Wu, Yan-Lan; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian [State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fujian (China)

2017-12-18

A series containing the highest nuclearity polyoxoniobate (PONb) nanoclusters, ranging from dimers to tetramers, has been obtained. They include one 114-nuclear {Li_8 is contained in Nb_1_1_4O_3_1_6}, one 81-nuclear {Li_3K is contained in Nb_8_1O_2_2_5}, and one 52-nuclear {H_4Nb_5_2O_1_5_0}. The Nb nuclearity of these PONbs is remarkably larger than those of all known high-nuclearity PONbs (≤32). Furthermore, the introduction of 3d Cu{sup 2+} ions can lead to the generation of extended inorganic-organic hybrid frameworks built from novel, high-nuclearity, nanoscale heterometallic PONb building blocks {H_3Cu_3Nb_7_8O_2_2_2} or {H_3Cu_4(en)Nb_7_8O_2_2_2}. These building blocks also contain the largest number of Nb centers of any heterometallic PONbs reported to date. The synthesis of new-type PONbs has long been a challenging subject in PONb chemistry. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electrochemical conversion of solid Nb{sub 2}O{sub 5} to Nb in sodium chloride melt as proof of oxygen ionisation mechanism of electrodeoxidation

Energy Technology Data Exchange (ETDEWEB)

Sri Maha Vishnu, D., E-mail: smvd2@cam.ac.uk [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, 603102 (India); Presently with Materials Chemistry Group, Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, CB3 0FS (United Kingdom); Sanil, N.; Mohandas, K.S. [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, 603102 (India)

2016-08-25

The direct electrochemical reduction of a solid metal oxide (MO{sub x}) to metal (M) in calcium chloride melt (FFC Cambridge process) has been proposed to take place via. oxygen ionisation mechanism, MO{sub x} + 2xe{sup −} → M + xO{sup 2−}. However, generation of calcium metal and reduction of the oxide with it too becomes possible under the applied potential condition (3.1 V) of an FFC cell. The unique chemistry of calcium chloride melt, upon cathodic polarisation, makes it difficult to distinguish between the reduction by electrons and calcium metal. Hence in order to confirm the oxygen ionisation theory of electro-deoxidation, electrochemical deoxidation experiments were carried out with sintered Nb{sub 2}O{sub 5} pellet electrodes in molten sodium chloride at 1173 K. The pellets were found reduced to Nb metal. Sodiothermic reduction of Nb{sub 2}O{sub 5} is thermodynamically not feasible (Nb{sub 2}O{sub 5} + 10Na → 5Na{sub 2}O + 2Nb, ΔG°{sub 1173K} = 102.1 kJ) and hence the observed reduction of the oxide is attributed to electrons. This study, for the first time, gives reliable experimental evidence to the oxygen ionisation mechanism of electro-reduction of solid oxides in the FFC process. The experimental results also prove that the electro-reduction of oxides can occur in melts, which otherwise were considered unsuitable from thermodynamic considerations. - Highlights: • In NaCl melt: Negligible O{sup 2−} ion solubility & Na reduction of Nb{sub 2}O{sub 5} to Nb – absent. • Nb{sub 2}O{sub 5} could be electrochemically reduced to spongy Nb in NaCl melt at 1173 K. • Mechanism: Nb{sub 2}O{sub 5} → Na−Nb−O compounds + suboxides of Nb → Na{sub x}NbO{sub y} → Nb. • Metallothermic reduction of oxide in melt - not mandatory for electrodeoxidation. • In FFC Cambridge process: Metallothermic reduction is not essential but desirable.

The lanthanoid(III) chloride oxoselenates(IV) MCl[SeO3] (M = Sm - Lu) with HoCl[TeO3]- or B-type structure

International Nuclear Information System (INIS)

Lipp, C.; Schleid, T.

2008-01-01

The B-type lanthanoid(III) chloride oxoselenates(IV) MCl[SeO 3 ] (M = Sm - Lu) crystallize in the orthorhombic space group Pnma (no. 62) with Z = 4 in the structure type of HoCl[TeO 3 ]. Their lattice constants are decreasing following the lanthanoid contraction from a = 730.01(7), b = 707.90(7), c 895.64(9) pm for SmCl[SeO 3 ] to a = 714.63(7), b = 681.76(7), c = 864.05(9) pm for LuCl[SeO 3 ]. In contrast to NdCl[SeO 3 ], the only representative of the A-type structure, where the coordination numbers of the Nd 3+ cations are 7+2 and 8, the B-type structure is dominated by pentagonal bipyramids [MO 5 Cl 2 ] 9- (CN(M 3+ ) = 7), which are connected via trans-oriented O..O edges to ∞ 1 {[MO 4/2 e O 1/1 t Cl 2/1 t ] 5- } chains (e = edge-sharing, t = terminal) running parallel to the [010] direction. Their inclination relative to each other allows for an alternating interconnection of these chains via Cl - and ψ 1 -tetrahedral [SeO 3 ] 2- anions to form a three-dimensional structure. The distances within the [SeO 3 ] 2- groups are in the normal range (d(Se-O) = 165 - 172 pm), while those of the O 2- and Cl - anions to the central M 3+ cation diminish in dependence of the increasing atomic number (d(M-O) = 226 - 244 pm / 216 - 232 pm, d(M-Cl) 277 - 278 pm / 266 - 270 pm, M = Sm / Lu). For the synthesis of the chloride oxoselenates(IV) MCl[SeO 3 ] the respective lanthanoid sesquioxide (M 2 O 3 ) and selenium dioxide (SeO 2 ) were reacted with either an eutectic mixture of RbCl and LiCl or with the corresponding lanthanoid trichloride (MCl 3 ) in evacuated silica ampoules for either five weeks at 500 C or one week at 850 C. (orig.)

Crystal structure, vibrational spectra, optical and DFT studies of bis (3-azaniumylpropyl) azanium pentachloroantimonate (III) chloride monohydrate (C6H20N3)SbCl5·Cl·H2O

Science.gov (United States)

Ahmed, Houssem Eddine; Kamoun, Slaheddine

2017-09-01

The crystal structure of (C6H20N3)SbCl5·Cl·H2O is built up of [NH3(CH2)3NH2(CH2)3NH3]3 + cations, [SbCl5]2 - anions, free Cl- anions and neutral water molecules connected together by Nsbnd H ⋯ Cl, Nsbnd H ⋯ O and Osbnd H ⋯ Cl hydrogen bonds. The optical band gap determined by diffuse reflection spectroscopy (DRS) is 3.78 eV for a direct allowed transition. Optimized molecular geometry, atomic Mulliken charges, harmonic vibrational frequencies, HOMO-LUMO and related molecular properties of the (C6H20N3)SbCl5·Cl·H2O compound were calculated by Density functional theory (DFT) using B3LYP method with GenECP sets. The calculated structural parameters (bond lengths and angles) are in good agreement with the experimental XRD data. The vibrational unscaled wavenumbers were calculated and scaled by a proper scaling factor of 0.984. Acceptable consistency was observed between calculated and experimental results. The assignments of wavenumbers were made on the basis of potential energy distribution (PED) using Vibrational Energy Distribution Analysis (VEDA) software. The HOMO-LUMO study was extended to calculate various molecular parameters like ionization potential, electron affinity, global hardness, electro-chemical potential, electronegativity and global electrophilicity of the given molecule.

Effects of milling method and calcination condition on phase and morphology characteristics of Mg4Nb2O9 powders

International Nuclear Information System (INIS)

Wongmaneerung, R.; Sarakonsri, T.; Yimnirun, R.; Ananta, S.

2006-01-01

Magnesium niobate, Mg 4 Nb 2 O 9 , powders has been synthesized by a solid-state reaction. Both conventional ball- and rapid vibro-milling have been investigated as milling methods, with the formation of the Mg 4 Nb 2 O 9 phase investigated as a function of calcination conditions by DTA and XRD. The particle size distribution of the calcined powders was determined by laser diffraction technique, while morphology, crystal structure and phase composition were determined via a combination of SEM, TEM and EDX techniques. The type of milling method together with the designed calcination condition was found to show a considerable effect on the phase and morphology evolution of the calcined Mg 4 Nb 2 O 9 powders. It is seen that optimization of calcination conditions can lead to a single-phase Mg 4 Nb 2 O 9 in both milling methods. However, the formation temperature and dwell time for single-phase Mg 4 Nb 2 O 9 powders were lower with the rapid vibro-milling technique

Efficient and Selective Reduction of Aromatic Nitro Compounds to Aromatic Amines by NbCl{sub 5}/Indium System

Energy Technology Data Exchange (ETDEWEB)

Yoo, Byung Woo; Kim, Duckil; Kim, Hyung Min; Kang, Sung Ho [Korea Univ., Seoul (Korea, Republic of)

2012-09-15

Aromatic amines find applicability in diverse fields including dyes, pharmaceuticals, agrochemicals, and photographic materials. To date, there are a variety of methods, which can be used to convert aromatic nitro compounds to their corresponding amines. Some of them include Cp{sub 2}TiCl{sub 2}/In, Al/NH{sub 4}Cl, (NH{sub 4}){sub 2}SO{sub 4}/NaBH{sub 4}, NiCl{sub 2}6H{sub 2}O/In, HI, Sm/I{sub 2}, In/NH{sub 4}Cl, B{sub 4}H{sub 10}/Pd/C, Co{sub 2}(CO){sub 8}/H{sub 2}O and In/HCl. However, most methods still lack the desired chemo-selectivity when other reducible functional groups are present in the nitroarene and often require long reaction times, or harsh reaction conditions. Consequently, efficient and selective methods for the reduction of aromatic nitro compounds continue to be developed. It has been reported that NbCl{sub 5}/Zn system is used as a reagent for reducing sulfoxides, epoxides, and amine N-oxides.12 Because of the close resemblance of indium to zinc in several respects, including first ionization potential, we considered that NbCl{sub 5}/In system can be an efficient reducing agent for the conversion of aromatic nitro compounds to the corresponding amines. Recently, indium metal has attracted much attention for its unique properties such as low toxicity and high stability in water and air compared with other metals. In continuation of our interest in exploring the utility of metal-metal salt system in organic synthesis, we would like to report an efficient and chemo-selective method for the reduction of various aromatic nitro compounds to the corresponding amines by treatment with NbCl{sub 5}/In system (eq. 1). The new reduction system was generated by the addition of indium powder to a stirred solution of niobium(V) chloride in THF under sonication. The generation of low-valent niobium species was examined at room temperature with an excess of indium metal. The observations suggest that this procedure can be applied for the chemo

LiNbO3 :Pr3+ : A Multipiezo Material with Simultaneous Piezoelectricity and Sensitive Piezoluminescence.

Science.gov (United States)

Tu, Dong; Xu, Chao-Nan; Yoshida, Akihito; Fujihala, Masayoshi; Hirotsu, Jou; Zheng, Xu-Guang

2017-06-01

Red-emitting piezoluminescence (elasticoluminescence) is achieved by doping rare earth Pr 3+ into the well-known piezoelectric matrix, LiNbO 3 . By precisely tuning the Li/Nb ratio in nonstoichiometric Li x NbO 3 :Pr 3+ , a material that exhibits an unusually high piezoluminescence intensity, which far exceeds that of any well-known piezoelectric material, is produced. Li x NbO 3 :Pr 3+ shows excellent strain sensitivity at the lowest strain level, with no threshold for stress sensing. These multipiezo properties of sensitive piezoluminescence in a piezoelectric matrix are ideal for microstress sensing, damage diagnosis, electro-mechano-optical energy conversion, and multifunctional control in optoelectronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rectifying characteristics and magnetoresistance in La0.9Sr0.1MnO3/Nb-doped SrTiO3 heterojunctions

International Nuclear Information System (INIS)

Luo, Z.; Gao, J.

2007-01-01

Manganite-based heterojunctions have attracted lots of attention as one of the most promising practical applications of colossal magnetoresistance materials. In this work, heterojunctions were fabricated by depositing La 0.9 Sr 0.1 MnO 3 (LSMO) films on substrates of 0.7 wt.% Nb-doped SrTiO 3 using pulsed laser deposition technique. X-ray diffraction spectra confirmed that the grown films are of single phase and have an orientation with the c-axis perpendicular to the substrate surface. As temperature decreases, the resistivity of LSMO films first increases gradually and then increases abruptly at temperature lower than 150 K. These junctions showed clear rectifying characteristics and strong temperature dependent current-voltage relation. Diffusion voltage decreases as temperature increases. Under forward bias, current is proportion to exp(eV/nkT). Ideal factor increases quickly and tunneling current plays more and more important role as temperature decreases. At 50 K, tunneling current becomes nearly dominant. Large magnetoresistance was observed. The sign and value of such magnetoresistance depends on the direction and value of current

Performance-Microstructure Relations in Ni/CGO Infiltrated Nb-doped SrTiO3 SOFC Anodes

DEFF Research Database (Denmark)

Ramos, Tania; Bernuy-Lopez, Carlos; Reddy Sudireddy, Bhaskar

2012-01-01

Nb-doped SrTiO3 solid oxide fuel cell (SOFC) anodes, infiltrated with CGO/Ni, were investigated by electrochemical impedance spectroscopy (EIS) and high resolution microscopy techniques, upon varying production and testing parameters. The electrochemical analysis involved a combination of distrib......Nb-doped SrTiO3 solid oxide fuel cell (SOFC) anodes, infiltrated with CGO/Ni, were investigated by electrochemical impedance spectroscopy (EIS) and high resolution microscopy techniques, upon varying production and testing parameters. The electrochemical analysis involved a combination...... of distribution of relaxation times (DRT) and complex non-linear least squares (CNLS) fitting routine. These electrodes were studied as singlephase or as composites with 8YSZ. Sr0.94Ti0.9Nb0.1O3-δ/ 10 vol.% 8YSZ composite infiltrated electrodes were the best overall performers, with enhanced performance stability...

Optical properties of the c-axis oriented LiNbO3 thin film

International Nuclear Information System (INIS)

Shandilya, Swati; Sharma, Anjali; Tomar, Monika; Gupta, Vinay

2012-01-01

C-axis oriented Lithium Niobate (LiNbO 3 ) thin films have been deposited onto epitaxially matched (001) sapphire substrate using pulsed laser deposition technique. Structural and optical properties of the thin films have been studied using the X-ray diffraction (XRD) and UV–Visible spectroscopy respectively. Raman spectroscopy has been used to study the optical phonon modes and defects in the c-axis oriented LiNbO 3 thin films. XRD analysis indicates the presence of stress in the as-grown LiNbO 3 thin films and is attributed to the small lattice mismatch between LiNbO 3 and sapphire. Refractive index (n = 2.13 at 640 nm) of the (006) LiNbO 3 thin films was found to be slightly lower from the corresponding bulk value (n = 2.28). Various factors responsible for the deviation in the refractive index of (006) LiNbO 3 thin films from the corresponding bulk value are discussed and the deviation is mainly attributed to the lattice contraction due to the presence of stress in deposited film.

A heptadecanuclear Mn(III)9Dy(III)8 cluster derived from triethanolamine with two edge sharing supertetrahedra as the core and displaying SMM behaviour.

Science.gov (United States)

Langley, Stuart K; Moubarakia, Boujemaa; Murray, Keith S

2010-06-07

A heterometallic, heptadecanuclear cluster of formula [Mn(III)9Dy(III)8O8(OH)8(tea)2(teaH)2(teaH2)4(Ac)4(NO3)2(H2O)4](NO3)7·8H2O (1) is reported. The core of 1 displays two edge sharing Mn(III)5Dy(III)5 supertetrahedra and represents one of the largest Mn/4f cluster compound so far reported. Magnetic studies show that 1 displays probable SMM behaviour as observed via non-zero values in the χM''vs T plot.

Hexagonal perovskites with cationic vacancies. 20. Ba/sub 6/Nb/sub 4/ZrvacantO/sub 18/ - a new stacking polytype with a rhombohedral 18 L structure

Energy Technology Data Exchange (ETDEWEB)

Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-06-01

The white Ba/sub 6/Nb/sub 4/ZrvacantO/sub 18/ crystallizes in a rhombohedral 18 L structure (a = 5.82/sub 1/ A; c = 42.6/sub 3/ A; space group R3m) with three formula units for the trigonal setting (rhosub(exp) = 6.0/sub 5/ g/cm/sup 3/; rhosub(calc) = 6.27/sub 1/ g/cm/sup 3/). The corresponding Tisup(IV) and Hfsup(IV) compounds, Ba/sub 6/Nb/sub 4/TivacantO/sub 18/ and Ba/sub 6/Nb/sub 4/HfvacantO/sub 18/, are isotypic.

An EPMA study on KNbO3 and NaNbO3 single crystals - potential reference materials for quantitative microanalysis

International Nuclear Information System (INIS)

Samardzzija, Z.; Bernik, S.; Malic, B.; Ceh, M.; Marinenko, R.B.

2004-01-01

Single crystals of KNbO 3 and NaNbO 3 were selected from the limited number of suitable alkali compounds that are available and evaluated as possible reference materials for the electron-probe microanalysis (EPMA) of alkaline niobates with a composition described by the general formula K 1-x Na x NbO 3 . The EPMA study verified that KNbO 3 and NaNbO 3 single crystals are stable under the electron beam and compositionally homogeneous. A quantitative microanalysis confirmed the composition of pure KNbO 3 , while the NaNbO 3 crystal contained 0.3 mass fraction % of Ca. A significant improvement in the accuracy of the quantitative EPMA of polycrystalline potassium-sodium niobates was achieved using these single crystals as standards. The crystals can also be useful as reference materials for the analysis of sodium and potassium in other materials. (author)

Hydrothermal synthesis and structural characterization of an organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en)2(H2O)]4[Cu(en)2(H2O)2][Cu2Na4(α-SbW9O33)2]·6H2O

International Nuclear Information System (INIS)

Liu, Yingjie; Cao, Jing; Wang, Yujie; Li, Yanzhou; Zhao, Junwei; Chen, Lijuan; Ma, Pengtao; Niu, Jingyang

2014-01-01

An organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu(en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ]·6H 2 O (1) has been synthesized by reaction of Sb 2 O 3 , Na 2 WO 4 ·2H 2 O, CuCl 2 ·2H 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 9 O 33 ] 9− subunits sandwiching a hexagonal (Cu 2 Na 4 ) cluster. Moreover, those related hexagonal hexa-metal cluster sandwiched tungstoantimonates have been also summarized and compared. The variable-temperature magnetic measurements of 1 exhibit the weak ferromagnetic exchange interactions within the hexagonal (Cu 2 Na 4 ) cluster mediated by the oxygen bridges. - Graphical abstract: An organic–inorganic hybrid (Cu 2 Na 4 ) sandwiched tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu (en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ]·6H 2 O was synthesized and magnetic properties was investigated. Display Omitted - Highlights: • Organic–inorganic hybrid sandwich-type tungstoantimonate. • (Cu 2 Na 4 sandwiched) tungstoantimonate [Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ] 10− . • Ferromagnetic tungstoantimonate

Synthesis of binuclear rhodacarboranes from dianions 1,4- and 1,3-C6H4(CH2-9-C2H2B9H9-7,8-nido)22- and (Ph3P)3RhCl

International Nuclear Information System (INIS)

Zakharkin, L.I.; Zhigareva, G.G.

1996-01-01

Dianions 1,4 and 1,3-C 6 H 4 (CH 2 -9-C 2 H 2 B 9 H 9 -7,8-nido) 2 2- obtained from nido 7,8-dicarbollide-ion and 1,4-bis(bromomethyl) and 1,3-bis(bromomethyl)benzenes react with (Ph 3 P) 3 RhCl to give binuclear rhodacarboranes, 1,4- and 1,3-[3,3-(Ph 3 P) 2 -3-H-3,1,2-RhC 2 B 9 H 10 -4-CH 2 ] 2 C 6 H 6 with chemical reaction yield 85% and 87% respectively. 7 refs., 1 fig., 1 tab

High-Power Characteristics of Thickness Shear Mode for Textured SrBi2Nb2O9 Ceramics

Science.gov (United States)

Ogawa, Hirozumi; Kawada, Shinichiro; Kimura, Masahiko; Higuchi, Yukio; Takagi, Hiroshi

2009-09-01

The high-power piezoelectric characteristics of the thickness shear mode for oriented ceramics of bismuth layer structured ferroelectrics (BLSF), SrBi2Nb2O9 (SBN), were studied by the constant current driving method. These textured ceramics were fabricated by the templated grain growth (TGG) method, and the Lotgering factor was 95%. The vibration of the thickness shear mode in the textured SBN ceramics was stable at the vibration velocity of 2.0 m/s. The resonant frequency was almost constant with increasing vibration velocity in the textured SBN ceramics, however, it decreased with increasing vibration velocity in the randomly oriented SBN ceramics. In the case of Pb(Mn,Nb)O3-Pb(Zr,Ti)O3 ceramics, the vibration velocity of the thickness shear mode was saturated at more than 0.3 m/s, and the resonant frequency decreased at lower vibration velocity than in the case of SBN ceramics. The dissipation power density of the textured SBN ceramics was the lowest among those of the randomly oriented SBN and Pb(Mn,Nb)O3-PZT ceramics. The thickness shear mode of textured SBN ceramics is a good candidate for high-power piezoelectric applications.

Superconducting Nb{sub 3}Sn intermetallics made by electrochemical reduction of Nb{sub 2}O{sub 5}-SnO{sub 2} oxides

Energy Technology Data Exchange (ETDEWEB)

Glowacki, B A; Fray, D J; Yan, X-Y; Chen, G

2003-05-01

The article is focused on low temperature superconducting Nb{sub 3}Sn material manufactured by novel electrodeoxidizing method developed in Cambridge whereby the range of alloys and intermetallics are produced cheaply making potential superconducting wires more cost effective. The process of direct electrochemical reduction of Nb{sub 2}O{sub 5}-SnO{sub 2} mixtures and in situ formation of the Nb{sub 3}Sn is discussed in details.

Investigation of the La2O3-Nb2O5-WO3 ternary phase diagram: Isolation and crystal structure determination of the original La3NbWO10 material

KAUST Repository

Vu, T.D.; Vu, T.D.; Barre, M.; Adil, Karim; Jouanneaux, A.; Suard, E.; Goutenoire, F.

2015-01-01

In the course of the exploration of the La2O3-WO3-Nb2O5 ternary phase diagram, a new compound with the formula La3NbWO10 was discovered. Its structure was determined from a combination of powder X-ray and neutron diffraction data. It crystallizes

NaCl islands decorated with 2D or 3D 3,4,9,10-perylene-tetracarboxylic-dianhydride nanostructures

International Nuclear Information System (INIS)

Sun Xiaonan; Silly, Fabien

2010-01-01

The formation of PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) nanostrutures on Au(1 1 1)-(22x√(3)) covered with NaCl islands has been studied using scanning tunneling microscopy (STM). Atomically resolved STM images show that NaCl grows as (1 0 0)-terminated layers on Au(1 1 1)-(22x√(3)). Local atomic hexagonal packing has also been observed in the NaCl(1 0 0) layer. At submonolayer NaCl coverage, PTCDA forms two-dimensional islands on the Au(1 1 1) surface and nucleate preferentially at the NaCl island step edges. When the Au surface is fully covered with NaCl layers, PTCDA molecules form three-dimensional molecular clusters decorating the step edges of NaCl layers.

NaCl islands decorated with 2D or 3D 3,4,9,10-perylene-tetracarboxylic-dianhydride nanostructures

Energy Technology Data Exchange (ETDEWEB)

Sun Xiaonan [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, NL-9747 AG Groningen (Netherlands); Silly, Fabien, E-mail: Fabien.silly@cea.fr [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, NL-9747 AG Groningen (Netherlands); CEA, IRAMIS, SPCSI, Nanostructures and Organic Semiconductors Laboratory, F-91191 Gif-sur-Yvette (France); UPMC, IPCM, UMR CNRS 7201, 4 place Jussieu, F-75005 Paris (France)

2010-01-15

The formation of PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) nanostrutures on Au(1 1 1)-(22x{radical}(3)) covered with NaCl islands has been studied using scanning tunneling microscopy (STM). Atomically resolved STM images show that NaCl grows as (1 0 0)-terminated layers on Au(1 1 1)-(22x{radical}(3)). Local atomic hexagonal packing has also been observed in the NaCl(1 0 0) layer. At submonolayer NaCl coverage, PTCDA forms two-dimensional islands on the Au(1 1 1) surface and nucleate preferentially at the NaCl island step edges. When the Au surface is fully covered with NaCl layers, PTCDA molecules form three-dimensional molecular clusters decorating the step edges of NaCl layers.

Crystal growth and optical properties of Sm:CaNb2O6 single crystal

International Nuclear Information System (INIS)

Di Juqing; Xu Xiaodong; Xia Changtai; Zeng Huidan; Cheng Yan; Li Dongzhen; Zhou Dahua; Wu Feng; Cheng Jimeng; Xu Jun

2012-01-01

Highlights: ► Sm:CaNb 2 O 6 single crystal was grown by the Czochralski method. ► Thermal expansion coefficients and J–O parameters were calculated. ► We found that this crystal had high quantum efficiency of 97%. - Abstract: Sm:CaNb 2 O 6 single crystal has been grown by the Czochralski method. Its high-temperature X-ray powder diffraction, optical absorption, emission spectroscopic as well as lifetime have been studied. Thermal expansion coefficients (α), J–O parameters (Ω i ), radiative lifetime (τ rad ), branching ratios (β) and stimulated emission cross-sections (σ e ) were calculated. The quantum efficiency (η) was calculated to be 97%. The intense peak emission cross section at 610, 658 nm were calculated to be 2.40 × 10 −21 , 2.42 × 10 −21 cm 2 . These results indicate that Sm:CaNb 2 O 6 crystal has potential use in visible laser and photonic devices area.

Heavy ion beam micromachining on LiNbO3

International Nuclear Information System (INIS)

Nesprias, F.; Venturino, M.; Debray, M.E.; Davidson, J.; Davidson, M.; Kreiner, A.J.; Minsky, D.; Fischer, M.; Lamagna, A.

2009-01-01

In this work 3D micromachining of x-cut lithium niobate crystals was performed using the high energy heavy ion microbeam (HIM) at the Tandar Laboratory, Buenos Aires. The samples were machined using 35 Cl beams at 70 MeV bombarding energy combined with wet etching with hydrofluoric acid solutions at room temperature. As the ion beam penetrates the sample, it induces lattice damage increasing dramatically the local etching rate of the material. This technique was applied to the fabrication of 3D waveguides with long control electrodes. The resulting structures indicate that well defined contours with nearly vertical sidewalls can be made. The results also show that with fluences of only 5 x 10 12 ions/cm 2 , this technique is suitable for the fabrication of different shapes of LiNbO 3 control-waveguides that can be used in different optical devices and matched with the existing optical fibers.

Moessbauer study of proton-exchanged LiNbO3:Fe

International Nuclear Information System (INIS)

Engelmann, H.; Andler, G.; Dezsi, I.

1990-01-01

Topotactic proton exchange (Li against H) can be achieved by treating LiBnO 3 with appropriate acids. In order to investigate the effect of proton exchange on Fe-impurities we studied LiNbO 3 :Fe powder material treated in sulphuric acid and LiNbO 3 :Fe single crystals treated in benzoic acid by Moessbauer spectroscopy. During the topotactic ion exchange only the Li-ions are exchanged for protons, whereas the Fe-impurities are retained in the material. (orig.)

Synthesis and crystal structure of Mg{sub 0.5}NbO{sub 2}: An ion-exchange reaction with Mg{sup 2+} between trigonal [NbO{sub 2}]{sup -} layers

Energy Technology Data Exchange (ETDEWEB)

Miura, Akira, E-mail: amiura@yamanashi.ac.jp [Center for Crystal Science and Technology, University of Yamanashi (Japan); Takei, Takahiro; Kumada, Nobuhiro [Center for Crystal Science and Technology, University of Yamanashi (Japan)

2013-01-15

A new layered niobate, Mg{sub 0.5}NbO{sub 2}, was synthesized from LiNbO{sub 2} through a cation-exchange reaction with Mg{sup 2+} at 450-550 Degree-Sign C. This is the first example of a topotactic reaction with an aliovalent cation between trigonal [NbO{sub 2}]{sup -} layers. It is proposed to be isostructural with LiNbO{sub 2} (space group; P6{sub 3}/mmc) with lattice parameters of a=2.9052(6) A, c=10.625(15) A. The lattice parameters and formation energy of Mg{sub 0.5}NbO{sub 2} crystallized in LiNbO{sub 2} form and other layered CaNb{sub 2}O{sub 4} one were calculated by density functional theory. - Graphical abstract: A new layered niobate, Mg{sub 0.5}NbO{sub 2}, was synthesized from LiNbO{sub 2} through a cation-exchange reaction with Mg{sup 2+} at 450-550 Degree-Sign C. It is isostructural with LiNbO{sub 2} with lattice parameters of a=2.9052(6) A, c=10.625(15) A. Mg{sup 2+} are described in spheres located between [NbO{sub 2}]{sup -} trigonal layers and its occupancy is 0.5. Highlights: Black-Right-Pointing-Pointer A new layered niobate, Mg{sub 0.5}NbO{sub 2}, was synthesized from LiNbO{sub 2}. Black-Right-Pointing-Pointer Cation-exchange reaction converted two monovalent Li{sup +} into one divalent Mg{sup 2+} at 450-550 Degree-Sign C. Black-Right-Pointing-Pointer Mg{sub 0.5}NbO{sub 2} was isostructural with LiNbO{sub 2} (space group; P6{sub 3}/mmc). Black-Right-Pointing-Pointer Its lattice parameters were a=2.9052(6) A and c=10.625(15) A. Black-Right-Pointing-Pointer Synthesized Mg{sub 0.5}NbO{sub 2} was calculated to be thermodynamically more favorable.

Nanocomposite dielectrics in PbO-BaO-Na2O-Nb2O5-SiO2 system with high breakdown strength for high voltage capacitor applications.

Science.gov (United States)

Zhang, Qingmeng; Luo, Jun; Tang, Qun; Han, Dongfang; Zhou, Yi; Du, Jun

2012-11-01

Nanocomposite dielectrics in 6PbO-4BaO-20Na2O-40Nb2O5-30SiO2 system were prepared via melt-quenching followed by controlled crystallization. X-ray diffraction studies reveal that Pb2Nb2O7, Ba,NaNb5O15, NaNbO3 and PbNb2O6 phases are formed from the as-quenched glass annealed in temperature range from 700 degrees C to 850 degrees C. Ba2NaNb5O15, Pb2Nb2O7 crystallizes at 700 degrees C and then Pb2Nb2O7 disappears at 850 degrees C, while PbNb2O6 and NaNbO3 are formed at 850 degrees C. Microstructural observation shows that the crystallized particles are nanometer-sized and randomly distributed with glass matrix being often found at grain boundaries. The dielectric constant of the nanocomposites formed at different crystallization temperatures shows good frequency and electric field stability. The breakdown strength is slightly decreased when the glass-ceramics thickness is varied from 1 mm to 4 mm. The corresponding energy density could reach 2.96 J/cm3 with a breakdown strength of 58 kV/mm for thickness of 1 mm.

Optical properties of Mg2+, Yb3+, and Ho3+ tri-doped LiNbO3 crystals

Science.gov (United States)

Dai, Li; Liu, Chun-Rui; Tan, Chao; Yan, Zhe-Hua; Xu, Yu-Heng

2017-04-01

A series of LiNbO3 crystals tri-doped with Mg{}2+, Yb{}3+, and Ho{}3+ are grown by the conventional Czochraski technique. The concentrations of Mg{}2+, Yb{}3+, and Ho{}3+ ions in Mg:Yb:Ho:LiNbO3 crystals are measured by using an inductively coupled plasma atomic emission spectrometry. The x-ray diffraction is proposed to determine the lattice constant and analyze the internal structure of the crystal. The light-induced scattering of Mg:Yb:Ho:LiNbO3 crystal is quantitatively described via the threshold effect of incident exposure energy flux. The exposure energy ({E}{{r}}) is calculated to discuss the optical damage resistance ability. The exposure energy of Mg(7 mol):Yb:Ho:LiNbO3 crystal is 709.17 J/cm2, approximately 425 times higher than that of the Mg(1 mol):Yb:Ho:LiNbO3 crystal in magnitude. The blue, red, and very intense green bands of Mg:Yb:Ho:LiNbO3 crystal are observed under the 980-nm laser excitation to evaluate the up-conversion emission properties. The dependence of the emission intensity on pumping power indicates that the up-conversion emission is a two-photon process. The up-conversion emission mechanism is discussed in detail. This study indicates that Mg:Yb:Ho:LiNbO3 crystal can be applied to the fabrication of new multifunctional photoluminescence devices. Project supported by the National Natural Science Foundation of China (Grant No. 51301055), the Youth Science Fund of Heilongjiang Province, China (Grant No. QC2015061), the Special Funds of Harbin Innovation Talents in Science and Technology Research, China (Grant No. 2015RQQXJ045 ), and the Science Funds for the Young Innovative Talents of Harbin University of Science and Technology, China (Grant No. 201501).

Photocatalytic degradation of malachite green dye using Au/NaNbO_3 nanoparticles

International Nuclear Information System (INIS)

Baeissa, E.S.

2016-01-01

The morphology of sodium niobate, which was produced using a hydrothermal method, was studied by changing the hydrothermal temperature from 100 to 250 °C. Using 250 °C hydrothermal temperature resulted in sodium niobate with a nanocube structure. The sodium niobate nanocubes were doped with gold by impregnation with an aqueous solution of HAuCl_4. The band gap of sodium niobate is approximately 3.4 eV, and it was decreased to 2.45 eV by gold doping. The surface area of sodium niobate is higher than that of Au/NaNbO_3 due to blockage of some pores of sodium niobate by gold doping. The photocatalytic performance of gold-doped sodium niobate was studied by degradation of malachite green dye using visible light irradiation. The results demonstrate that the photocatalytic performance of gold-doped sodium niobate is higher than that of sodium niobate and TiO_2 Degussa under visible light irradiation. - Highlights: • Au/NaNbO_3 were used for photocatalytic degradation of malachite green dye. • Photocatalytic degradation was dependent on wt % of Au; reaction time, and weight of catalyst. • Catalyst re-use revealed the present photocatalyst remain effective and active after five cycles.

Disk-type piezoelectric transformer of a Na0.5K0.5NbO3–CuNb2O6 lead-free ceramic for driving T5 fluorescent lamp

International Nuclear Information System (INIS)

Yang, Ming-Ru; Chu, Sheng-Yuan; Chan, I.-Hao; Yang, Song-Ling

2012-01-01

Highlights: ► CuNb 2 O 6 dopants were doped into NKN ceramics not only improved the density but also exhibited superior piezoelectric characteristic, temperature stability of resonance frequency. ► Lead-free NKN-01CN piezoelectric transformer was simplified as an equivalent circuit and analyzed using MATLAB. ► An 8W T5 fluorescent lamp was successfully driven by the NKN-01CN piezoelectric transformer. - Abstract: Lead-free (Na 0.5 K 0.5 )NbO 3 (NKN) ceramics doped with 1 mol% CuNb 2 O 6 (CN) ceramics were prepared using the conventional mixed oxide method, with a sintering temperature of 1075 °C. Microstructural analyses of the NKN–01CN ceramics were carried out and compared, using X-ray diffraction (XRD). NKN–01CN ceramics sintered at 1075 °C not only exhibited excellent ‘hard’ piezoelectric properties of k p = 40%, k t = 45%, k 33 = 57%, a ferroelectric property of E c = 23 kV/cm, and an extraordinarily high mechanical quality factor (Q m ) of 1933 but also showed excellent stability with temperature (TCF = −154 ppm/°C). The piezoelectric transformer was simplified, using an equivalent circuit, and analyzed, using MATLAB; the simulation data agreed well with the experimental results. An efficiency of 95.7% was achieved for the NKN–01CN piezoelectric transformer with load resistance of 20 kΩ. An 8 W T5 fluorescent lamp was successfully driven by the NKN–01CN piezoelectric transformer.

Fabrication of an Fe80.5Si7.5B6Nb5Cu Amorphous-Nanocrystalline Powder Core with Outstanding Soft Magnetic Properties

Science.gov (United States)

Zhang, Zongyang; Liu, Xiansong; Feng, Shuangjiu; Rehman, Khalid Mehmood Ur

2018-03-01

In this study, the melt spinning method was used to develop Fe80.5Si7.5B6Nb5Cu amorphous ribbons in the first step. Then, the Fe80.5Si7.5B6Nb5Cu amorphous-nanocrystalline core with a compact microstructure was obtained by multiple processes. The main properties of the magnetic powder core, such as micromorphology, thermal behavior, permeability, power loss and quality factor, have been analyzed. The obtained results show that an Fe80.5Si7.5B6Nb5Cu amorphous-nanocrystalline duplex core has high permeability (54.8-57), is relatively stable at different frequencies and magnetic fields, and the maximum power loss is only 313 W/kg; furthermore, it has a good quality factor.

35Cl/37Cl isotope effects in 103Rh NMR of [RhCln(H2O)6−n]3−n complex anions in hydrochloric acid solution as a unique ‘NMR finger-print’ for unambiguous speciation

International Nuclear Information System (INIS)

Geswindt, Theodor E.; Gerber, Wilhelmus J.; Brand, D. Jacobus; Koch, Klaus R.

2012-01-01

Graphical abstract: 35 Cl/ 37 Cl isotope effects in 103 Rh NMR as a unique ‘NMR-fingerprints’ leading to the unambiguous assignment of [RhCl n (H 2 O) 6−n ] 3−n (n = 3–6) complexes without reliance on accurate δ( 103 Rh) chemical shifts. Highlights: ► Direct 103 Rh NMR (19.11 MHz) spectroscopic method of speciation of [RhCl n (H 2 O) 6−n ] 3−n in HCl. ► 35 Cl/ 37 Cl isotope effects in 103 Rh NMR of [RhCl n (H 2 O) 6−n ] 3−n anions isotopologue and isotopomer induced 103 Rh NMR ‘finger-print’ for unambiguous identification. ► 103 Rh NMR identification of stereoisomers without a need for accurate chemical shifts. - Abstract: A detailed analysis of the 35 Cl/ 37 Cl isotope effects observed in the 19.11 MHz 103 Rh NMR resonances of [RhCl n (H 2 O) 6−n ] 3−n complexes (n = 3–6) in acidic solution at 292.1 K, shows that the ‘fine structure’ of each 103 Rh resonance can be understood in terms of the unique isotopologue and in certain instances the isotopomer distribution in each complex. These 35 Cl/ 37 Cl isotope effects in the 103 Rh NMR resonance of the [Rh 35/37 Cl 6 ] 3− species manifest only as a result of the statistically expected 35 Cl/ 37 Cl isotopologues, whereas for the aquated species such as for example [Rh 35/37 Cl 5 (H 2 O)] 2− , cis-[Rh 35/37 Cl 4 (H 2 O) 2 ] − as well as the mer-[Rh 35/37 Cl 3 (H 2 O) 3 ] complexes, additional fine-structure due to the various possible isotopomers within each class of isotopologues, is visible. Of interest is the possibility of the direct identification of stereoisomers cis-[RhCl 4 (H 2 O) 2 ] − , trans-[RhCl 4 (H 2 O) 2 ] − , fac-[RhCl 3 (H 2 O) 3 ] and mer-[RhCl 3 (H 2 O) 3 ] based on the 103 Rh NMR line shape, other than on the basis of their very similar δ( 103 Rh) chemical shift. The 103 Rh NMR resonance structure thus serves as a novel and unique ‘NMR-fingerprint’ leading to the unambiguous assignment of [RhCl n (H 2 O) 6−n ] 3−n complexes (n = 3–6

C=C bond cleavage on neutral VO3(V2O5)n clusters.

Science.gov (United States)

Dong, Feng; Heinbuch, Scott; Xie, Yan; Bernstein, Elliot R; Rocca, Jorge J; Wang, Zhe-Chen; Ding, Xun-Lei; He, Sheng-Gui

2009-01-28

The reactions of neutral vanadium oxide clusters with alkenes (ethylene, propylene, 1-butene, and 1,3-butadiene) are investigated by experiments and density function theory (DFT) calculations. Single photon ionization through extreme ultraviolet radiation (EUV, 46.9 nm, 26.5 eV) is used to detect neutral cluster distributions and reaction products. In the experiments, we observe products (V(2)O(5))(n)VO(2)CH(2), (V(2)O(5))(n)VO(2)C(2)H(4), (V(2)O(5))(n)VO(2)C(3)H(4), and (V(2)O(5))(n)VO(2)C(3)H(6), for neural V(m)O(n) clusters in reactions with C(2)H(4), C(3)H(6), C(4)H(6), and C(4)H(8), respectively. The observation of these products indicates that the C=C bonds of alkenes can be broken on neutral oxygen rich vanadium oxide clusters with the general structure VO(3)(V(2)O(5))(n=0,1,2...). DFT calculations demonstrate that the reaction VO(3) + C(3)H(6) --> VO(2)C(2)H(4) + H(2)CO is thermodynamically favorable and overall barrierless at room temperature. They also provide a mechanistic explanation for the general reaction in which the C=C double bond of alkenes is broken on VO(3)(V(2)O(5))(n=0,1,2...) clusters. A catalytic cycle for alkene oxidation on vanadium oxide is suggested based on our experimental and theoretical investigations. The reactions of V(m)O(n) with C(6)H(6) and C(2)F(4) are also investigated by experiments. The products VO(2)(V(2)O(5))(n)C(6)H(4) are observed for dehydration reactions between V(m)O(n) clusters and C(6)H(6). No product is detected for V(m)O(n) clusters reacting with C(2)F(4). The mechanisms of the reactions between VO(3) and C(2)F(4)/C(6)H(6) are also investigated by calculations at the B3LYP/TZVP level.

Geometrical Structures and Electronic Properties of Ga6 and Ga5X (X = B, C, N, O, F, Al, Si, P, S, Cl Clusters

Directory of Open Access Journals (Sweden)

Yanfei Hu

2018-04-01

Full Text Available Based on the unbiased CALYPSO (Crystal structure Analysis by Particle Swarm Optimization structure searching method in combination with density functional theory (DFT, the geometrical structures and electronic properties are investigated theoretically for Ga6 and Ga5X (X = B, C, N, O, F, Al, Si, P, S, Cl clusters. The PBE0 exchange-correlation functional and the 6-311G(d basis set is carried out to determine global minima on potential energy surfaces. The relative stabilities of the clusters are examined by the binding energies and substitution reaction. Following the predictions of the Jellium model, the Ga5B cluster with the 18 valence electrons is the most stable structure. At last, with the obtained lowest energy structures, some physical properties such as electrons transfer, molecular orbitals, and total and partial densities of states are discussed, respectively.

Synthesis and photocatalytic activity of hydrated layered perovskite K2-xLa2Ti3-xNb xO10 (0 ≤ x ≤ 1) and protonated derivatives

International Nuclear Information System (INIS)

Huang Yunfang; Wu Jihuai; Wei Yuelin; Hao Sancun; Huang Miaoliang; Lin Jianming

2007-01-01

A series of photocatalytic intercalated materials K 2-x La 2 Ti 3-x Nb x O 10 (0 ≤ x ≤ 1) and a series of its protonated derivatives H 2-x La 2 Ti 3-x Nb x O 10 were prepared by solid-state reaction and ion-exchange reaction. The photocatalytic activities of samples were evaluated using methanol as electron donor under UV irradiation. All H 2-x La 2 Ti 3-x Nb x O 10 samples possessed approximately twofold higher photocatalytic activity than the corresponding K 2-x La 2 Ti 3-x Nb x O 10 . This difference was most pronounced for the photocatalyst H 1.9 La 2 Ti 2.9 Nb 0.1 O 10 which showed the highest activity: 22 μmol H 2 /catalyst (g) for 5 h, more than three times the activity of K 1.9 La 2 Ti 2.9 Nb 0.1 O 10

High temperature oxidation-sulfidation behavior of Cr-Al2O3 and Nb-Al2O3 composites densified by spark plasma sintering

International Nuclear Information System (INIS)

Saucedo-Acuna, R.A.; Monreal-Romero, H.; Martinez-Villafane, A.; Chacon-Nava, J.G.; Arce-Colunga, U.; Gaona-Tiburcio, C.; De la Torre, S.D.

2007-01-01

The high temperature oxidation-sulfidation behavior of Cr-Al 2 O 3 and Nb-Al 2 O 3 composites prepared by mechanical alloying (MA) and spark plasma sintering (SPS) has been studied. These composite powders have a particular metal-ceramic interpenetrating network and excellent mechanical properties. Oxidation-sulfidation tests were carried out at 900 deg. C, in a 2.5%SO 2 + 3.6%O 2 + N 2 (balance) atmosphere for 48 h. The results revealed the influence of the sintering conditions on the specimens corrosion resistance, i.e. the Cr-Al 2 O 3 and Nb-Al 2 O 3 composite sintered at 1310 deg. C/4 min showed better corrosion resistance (lower weight gains) compared with those found for the 1440 deg. C/5 min conditions. For the former composite, a protective Cr 2 O 3 layer immediately forms upon heating, whereas for the later pest disintegration was noted. Thus, under the same sintering conditions the Nb-Al 2 O 3 composites showed the highest weight gains. The oxidation products were investigated by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy

Are lithium niobate (LiNbO{sub 3}) and lithium tantalate (LiTaO{sub 3}) ferroelectrics bioactive?

Energy Technology Data Exchange (ETDEWEB)

Vilarinho, Paula Maria, E-mail: paula.vilarinho@ua.pt; Barroca, Nathalie; Zlotnik, Sebastian; Félix, Pedro; Fernandes, Maria Helena

2014-06-01

The use of functional materials, such as ferroelectrics, as platforms for tissue growth in situ or ex situ, is new and holds great promise. But the usage of materials in any bioapplication requires information on biocompatibility and desirably on bioactive behavior when bone tissue engineering is envisaged. Both requirements are currently unknown for many ferroelectrics. Herein the bioactivity of LiNbO{sub 3} and LiTaO{sub 3} is reported. The formation of apatite-like structures on the surface of LiNbO{sub 3} and LiTaO{sub 3} powders after immersion in simulated body fluid (SBF) for different soaking periods indicates their bioactive potential. The mechanism of apatite formation is suggested. In addition, the significant release of lithium ions from the ferroelectric powders in the very first minutes of soaking in SBF is examined and ways to overcome this likely hurdle addressed. - Highlights: • LiNbO{sub 3} and LiTaO{sub 3} are bioactive ferroelectrics. • Cauliflower apatite type structures indicative of in-vitro bioactivity of LiNbO{sub 3} and LiTaO{sub 3.} • Negative surface charges anchor Ca{sup 2+} to which PO{sub 4}{sup 3−} attracts forming apatite structure nuclei. • Use of ferroelectrics as platforms for tissue growth in situ or ex situ is new and holds great promise.

Nonlinear dielectric properties and tunability of 0.9Pb(Mg1/3,Nb2/3)O3-0.1 PbTiO3 and Ba(Ti0.85,Sn0.15)O3 paraelectrics

Science.gov (United States)

Akdogan, E. K.; Hall, A.; Simon, W. K.; Safari, A.

2007-01-01

We investigate the nonlinear dielectric properties of 0.9Pb(Mg1/3,Nb2/3)O3•0.1PbTiO3 (PMN-PT) and Ba[Ti0.85,Sn0.15]O3 (BTS) paraelectrics experimentally and theoretically. We measure the nonlinear dielectric response in the parallel plate capacitor configuration, whereby we obtain the low frequency linear permittivity (ε33), and the higher order permittivities (ε3333,ε333333) at 298K as ε33PMN-PT=2.1×10-7 and ε33BTS=4.1×10-8F /m, ε3333PMN-PT=-4.9×10-20 and ε3333BTS=-7.3×10-21F3m /C2, and ε333333PMN-PT=7.6×10-33 and ε333333BTS=9.85×10-34F5m3/C4. By using a self-consistent thermodynamic theory in conjunction with the experimental data, we compute the E3 dependence of electrostatic free energy ΔG, the field-induced polarization P3, and the thermodynamic tunability ∂2P3/∂E32, and prove that electrostatic free energy has to be expanded at least up to the sixth order in the electric field to define the critical field ∣E3*∣ at which maximum tunability is attained. We also show that ∣E3*∣ is a function on ∣ε3333∣/ε333333 only. Consequently, we find ∣E3*∣PMN-PT=8.0×105V /m and ∣E3*∣BTS=8.6×105V/m. We compute the engineering tunabilities as ΓPMN-PT=65% and ΓBTS=55%, and then define a normalized tunability ξ to take into account the ∣E3*∣ parameter. Thereof, we determine ∣ξ ∣PMT-PT=8.1×10-5%/Vm-1 and ∣ξ∣BTS=6.4×10-5%/Vm-1. Our results reveal that ∣E3*∣BTS>∣E3*∣PMN-PT although ΓBTS<ΓPMN-PT, unequivocally showing the need for defining a critical field parameter in evaluating the nonlinear dielectric response and tunability, in particular, and in nonlinear dielectrics in general. The results also indicate that the nonlinear dielectric properties of PMN-PT are an order of magnitude higher than that of BTS, which we discuss in the context of structure-property relations of relaxors.

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

Science.gov (United States)

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

2012-05-01

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

Piezoelectric properties enhanced of Sr{sub 0.6}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9} ceramic by (LiCe) modification with charge neutrality

Energy Technology Data Exchange (ETDEWEB)

Fang, Pinyang, E-mail: fpy_2000@163.com [Shaanxi Key Laboratory of Photoelectric Functional Materials and Devices, School of Materials and Chemical Engineering, Xi’an Technological University, Xi’an 710032 (China); Xi, Zengzhe; Long, Wei; Li, Xiaojuan [Shaanxi Key Laboratory of Photoelectric Functional Materials and Devices, School of Materials and Chemical Engineering, Xi’an Technological University, Xi’an 710032 (China); Li, Jin [Northwest Institute For Non-ferrous Metal Research, Xi’an 710016 (China)

2013-09-01

Graphical abstract: The oxygen vacancies were confirmed by the left figure. The role of oxygen vacancy on piezoelectric activities was obtained by comparing to the varieties of oxygen vacancy concentration and piezoelectric coefficient with (LiCe) modification. -- Highlights: • The Sr{sub 0.6}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9} ceramic by (LiCe) modification with the charge neutrality was synthesized by the solid state reaction method. • The Curie temperature and piezoelectric coefficient were found to be T{sub c} ∼590 °C and d{sub 33} ∼32 pC/N, respectively. • The mechanism of piezoelectric activities improved by (LiCe) modification was discussed. -- Abstract: Aurivillius-type ceramics, Sr{sub 0.6−x}(LiCe){sub x/2.5}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9}(SLCBNBNO) with the charge neutrality, were synthesized by using conventional solid-state processing. Phase analysis was performed by X-ray diffraction analyses (XRD) and Raman spectroscopy. Microstructural morphology was assessed by the scanning electron microscopy (SEM). Structural, dielectric, piezoelectric, ferroelectric, and electromechanical properties of the SLCBNBNO ceramics were investigated. Piezoelectric properties were significantly enhanced compared to Sr{sub 0.6}(BiNa){sub 0.2}Bi{sub 2}Nb{sub 2}O{sub 9} (SBNBN) ceramic and the maximum of piezoelectric coefficient d{sub 33} of the SBNBN-LC6 ceramic was 32 pC/N with higher Curie temperature (T{sub c} ∼590 °C). In addition, mechanisms for the piezoelectric properties enhanced of the SBNBN-based ceramics were discussed.

Quasielastic neutron scattering and infra-red band contour study of H2O reorientations in [Ni(H2O)6] (ClO4)2

International Nuclear Information System (INIS)

Janik, J.A.; Janik, J.M.; Otnes, K.; Stanek, T.

1980-01-01

IR band contour measurements carried out for [Ni(H 2 O) 6 ] (ClO 4 ) 2 revealed an existence of fast H 2 O 180 deg flips around Ni-O axes at room temperatures. These flips were subjected to a more accurate study by the quasielastic neutron scattering method. Correlation times of the order of picosecond were obtained for room temperatures and the barrier to rotation of ca. 7 kcal/mole. The results are compared to those previously obtained for [Mg(H 2 O) 6 ] (ClO 4 ) 2 and also to those for [Ni(NH 3 ) 6 ] (ClO 4 ) 2 and [Mg(NH 3 ) 6 ] (ClO 4 ) 2 . (author)

Multiferroicity in polar phase LiNbO{sub 3} at room temperature

Energy Technology Data Exchange (ETDEWEB)

Manikandan, M. [Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai 600 025 (India); Saravana Kumar, K. [Department of Physics, SRM University, Ramapuram Campus, Chennai 600 089 (India); Aparnadevi, N.; Praveen Shanker, N. [Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai 600 025 (India); Venkateswaran, C., E-mail: cvunom@hotmail.com [Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai 600 025 (India)

2015-10-01

LiNbO{sub 3}, prepared by ball milling assisted ceramic method, exhibits weak ferromagnetism and ferroelectricity at room temperature. X-ray diffraction pattern reveals the rhombohedral phase of LiNbO{sub 3} with hexagonal unit cell symmetry. The weak ferromagnetic behavior, obtained using VSM, has been explained using Dzyaloshinskii–Moriya interaction caused by the ferroelectric distortion in its magnetic order. The P–E loop measurement shows lossy natured ferroelectric loop. Electrical and dielectric properties analyzed using impedance spectroscopy show two thermally activated conduction processes, derived from the Arrhenius plot. A gradual increase in the dielectric constant below 493 K and a rapid increase above 493 K reveals the contribution of polarization components and Lithium ion hopping. - Highlights: • LiNbO{sub 3} sample was prepared by ball milling assisted ceramic method. • Observed weak-ferromagnetism in ferroelectric LiNbO{sub 3} makes it suitable for spintronics applications. • The observed magnetism was explained using Dzyaloshinskii–Moriya interactions. • LiNbO{sub 3} sample exhibits lossy natured ferroelectric loop. • The dc conductivity study reveals two thermally activated conduction processes.

(Na, K)NbO3-Based Ceramics for Self-Powered Energy Harvesting Applications.

Science.gov (United States)

Kim, Jinhwan; Koh, Jung-Hyuk

2015-03-01

Self-powered energy harvesting technologies have been intensively investigated by employ- ing Pb-free piezoelectric materials. One such Pb-free piezoelectric material, the ceramic 0.97(Na0.5K0.5)NbO3-0.03(Bi0.5Na0.5)TiO3, was prepared by employing the conventional mixed oxide method. 0.97(Na0.5K0.5)NbO3-0.03(Bi0.5Na0.5)TiO3 ceramics were prepared and the effect of sintering temperature on the microstructure, piezoelectric and ferroelectric properties were system- atically investigated for energy harvesting applications. The crystal structure of 0.97(Na0.5K0.5)NbO3- 0.03(Bi0.5Na0.5) TiO3 Pb-free piezoelectric ceramics, sintered at temperatures between 1080 °C and 1160 °C, was examined by X-ray diffraction analysis. The dielectric properties of 0.97(Na0.5K0.5)NbO3-0.03(Bi0.5Na0.5)TiO3 ceramics were measured from 1 kHz to 1 MHz for the various sintering temperatures. We expect that optimization of sintering parameters can improve the piezoelectric and ferroelectric properties of 0.97 (Na0.5K0.5)NbO3-0.03(Bi0.5Na0.5)TiO3 ceramics for energy harvesting.

Photoresponse in La0.9Hf0.1MnO3/0.05wt%Nb-doped SrTiO3 heteroepitaxial junctions

Science.gov (United States)

Qi, Yaping; Ni, Hao; Zheng, Ming; Zeng, Jiali; Jiang, Yucheng; Gao, Ju

2018-05-01

Excellent photo detectors need to have the rapid response and good repeatability from the requirement of industrial applications. In this paper, transport behavior and opto-response of heterostructures made with La0.9Hf0.1MnO3 and 0.05wt%Nb-doped SrTiO3 were investigated. The heterojunctions exhibited an excellent rectifying feature with very low leakage in a broad temperature region (from 40 to 300 K). These thin films presented persistent and stable photovoltages upon light illumination. Rapid shift between small and large voltages corresponding to "light OFF" and "light ON" states, respectively, was observed, demonstrating reliable photo detection behavior. A semiconductor laser with a wavelength of 650 nm was used as the light source. It is also noted that the observed photovoltages are strongly determined by light intensity. The injection of photoexcited charge carriers (electrons) could be responsible for the appearance of the observed opto-response. Such manipulative features by light irradiation exhibit great potential for light detectors for visible light.

Photoresponse in La0.9Hf0.1MnO3/0.05wt%Nb-doped SrTiO3 heteroepitaxial junctions

Directory of Open Access Journals (Sweden)

Yaping Qi

2018-05-01

Full Text Available Excellent photo detectors need to have the rapid response and good repeatability from the requirement of industrial applications. In this paper, transport behavior and opto-response of heterostructures made with La0.9Hf0.1MnO3 and 0.05wt%Nb-doped SrTiO3 were investigated. The heterojunctions exhibited an excellent rectifying feature with very low leakage in a broad temperature region (from 40 to 300 K. These thin films presented persistent and stable photovoltages upon light illumination. Rapid shift between small and large voltages corresponding to “light OFF” and “light ON” states, respectively, was observed, demonstrating reliable photo detection behavior. A semiconductor laser with a wavelength of 650 nm was used as the light source. It is also noted that the observed photovoltages are strongly determined by light intensity. The injection of photoexcited charge carriers (electrons could be responsible for the appearance of the observed opto-response. Such manipulative features by light irradiation exhibit great potential for light detectors for visible light.

Rietveld refinement and dielectric relaxation of a new rare earth based double perovskite oxide: BaPrCoNbO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Bharti, Chandrahas, E-mail: bharti.chandrahas@gmail.com [Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India); Das, Mrinmoy K.; Sen, A. [Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India); Chanda, Sadhan; Sinha, T.P. [Department of Physics, Bose Institute, 93/1, Acharya Prafulla Chandra Road, Kolkata-700009 (India)

2014-02-15

A new rare earth based double perovskite oxide barium praseodymium cobalt niobate, BaPrCoNbO{sub 6} (BPCN) is synthesized by solid-state reaction technique. Rietveld analysis of X-ray diffraction (XRD) data shows that the compound crystallizes in a perovskite like tetragonal structure which belongs to the I4/mmm space group with lattice parameters a=b=5.6828(9) Å, c=8.063(2) Å. Structural analysis reveals 1:1 ordered arrangement for the Co{sup 2+} and Nb{sup 5+} cations over the six-coordinate B-sites of BPCN. The superlattice line (1 0 1) at 2θ=19.10° arising from the alternate ordering of Co{sup 2+} and Nb{sup 5+} sites is observed in the XRD pattern which confirms the presence of cation ordering in BPCN. Fourier transform infrared spectrum shows two phonon modes of the sample due to the antisymmetric NbO{sub 6} stretching vibration. The relaxation dynamics of the conductive process in BPCN is investigated in the temperature range 303 to 503 K and in the frequency range 100 Hz to 1 MHz using impedance spectroscopy. The relaxation mechanism of the sample in the framework of electric modulus formalism is modeled by Davidson–Cole model (DCM). The values of α (distribution of relaxation time) for the DCM varies from 0.1 to 0.3 which suggests the asymmetric distribution of relaxation time for BPCN. The activation energy of the sample, calculated from both conductivity and modulus spectra, are found to be almost the same ∼0.4 eV, which indicates that the conduction mechanism for BPCN is polaron hopping. The scaling behaviour of the imaginary part of electric modulus suggests that the relaxation follows the same mechanism at various temperatures. - Graphical abstract: Rietveld refinement plot for BPCN. Inset shows the schematic presentation of the BPCN tetragonal unit cell. The Co{sup 2+} atoms are located at the centers of the CoO{sub 6} (blue) octahedra. The Nb{sup 5+} atoms are located at the centers of the NbO{sub 6} (green) octahedra. Display Omitted

Preparation and Characterization of PbO-SrO-Na2O-Nb2O5-SiO2 Glass Ceramics Thin Film for High-Energy Storage Application

Science.gov (United States)

Tan, Feihu; Zhang, Qingmeng; Zhao, Hongbin; Wei, Feng; Du, Jun

2018-03-01

PbO-SrO-Na2O-Nb2O5-SiO2 (PSNNS) glass ceramic thin films were prepared by pulsed laser deposition technology on heavily doped silicon substrates. The influence of annealing temperatures on microstructures, dielectric properties and energy storage performances of the as-prepared films were investigated in detail. X-ray diffraction studies indicate that Pb2Nb2O7 crystallizes at 800°C and disappears at 900°C, while NaNbO3 and PbNb2O6 are formed at the higher temperature of 900°C. The dielectric properties of the glass ceramics thin films have a strong dependence on the phase assemblages that are developed during heat treatment. The maximum dielectric constant value of 171 was obtained for the film annealed at 800°C, owing to the high electric breakdown field strength, The energy storage densities of the PSNNS films annealed at 800°C were as large as 36.9 J/cm3, These results suggest that PSNNS thin films are promising for energy storage applications.

Enhanced 77 K vortex-pinning in Y Ba2Cu3O7−x films with Ba2Y TaO6 and mixed Ba2Y TaO6 + Ba2Y NbO6 nano-columnar inclusions with irreversibility field to 11 T

Directory of Open Access Journals (Sweden)

F. Rizzo

2016-06-01

Full Text Available Pulsed laser deposited thin Y Ba2Cu3O7−x (YBCO films with pinning additions of 5 at. % Ba2Y TaO6 (BYTO were compared to films with 2.5 at. % Ba2Y TaO6 + 2.5 at. % Ba2Y NbO6 (BYNTO additions. Excellent magnetic flux-pinning at 77 K was obtained with remarkably high irreversibility fields greater than 10 T (YBCO-BYTO and 11 T (YBCO-BYNTO, representing the highest ever achieved values in YBCO films.

Photoluminescence properties of X5SiO4Cl6:Tb (X = Sr, Ba) green ...

Indian Academy of Sciences (India)

attracted more attention due to their potential applications ... materials were thoroughly mixed and ground in an agate mortar. ... Figure 2. Excitation spectra of Ba5SiO4Cl6:Tb3+ phosphor. spectrum of Tb3+ singly doped phosphor Ba5SiO4Cl6,.

Efficient conversion from UV light to near-IR emission in Yb{sup 3+}-doped triple-layered perovskite CaLaNb{sub 3}O{sub 10}

Energy Technology Data Exchange (ETDEWEB)

Lu, Yuting; Li, Yuze; Qin, Lin; Huang, Yanlin [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Qin, Chuanxiang, E-mail: qinchuanxiang@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Tsuboi, Taiju [Jiangsu-Singapore Joint Research Center for Organic/Bio-Electronics & Information Displays and Institute of Advanced Materials (IAM), Nanjing Tech University, Nanjing 211816 (China); Huang, Wei, E-mail: wei-huang@njtech.edu.cn [Jiangsu-Singapore Joint Research Center for Organic/Bio-Electronics & Information Displays and Institute of Advanced Materials (IAM), Nanjing Tech University, Nanjing 211816 (China)

2015-04-15

Graphical abstract: CaRNb{sub 3}O{sub 10} is a self-activated oxide due to charge transfer transition in octahedral NbO{sub 6} groups. CaLaNb{sub 3}O{sub 10}:Yb{sup 3+} presents intense IR emission due to the cooperative energy transfer from host (NbO{sub 6}) to Yb{sup 3+} is responsible. It could be expected to be potentially applicable for enhancing photovoltaic conversion efficiency of Si-based solar cells. - Abstract: Yb{sup 3+}-doped triple-layered perovskite CaLaNb{sub 3}O{sub 10} micro-particles were synthesized via the solid-state reaction method. The crystal structure and morphology of the polycrystalline samples were investigated by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) measurements, respectively. The reflectance spectra, photoluminescence (PL) excitation and emission spectra, the decay curves, and the absolute quantum efficiency (QE) of the near-infrared (NIR) emission (910–1100 nm) were measured. Under excitation of UV light, Yb{sup 3+}-doped perovskite shows an intense NIR emission attributed to the {sup 2}F{sub 5/2} → {sup 2}F{sub 7/2} transitions of Yb{sup 3+} ions, which could match maximum spectral response of a Si-based solar cell. This is beneficial for its possible application in an enhancement of the photovoltaic conversion efficiency of solar energy utilization. The efficient energy transfer in Yb{sup 3+}-doped CaLaNb{sub 3}O{sub 10} from NbO{sub 6} groups into Yb{sup 3+} ions was confirmed by the spectra and fluorescent decay measurements. Cooperative energy transfer (CET) was supposed to be the NIR emission mechanism.

Synthesis and characterization of sulfur-voided cubanes. Structural analogues for the MoFe(3)S(3) subunit in the nitrogenase cofactor.

Science.gov (United States)

Coucouvanis, Dimitri; Han, Jaehong; Moon, Namdoo

2002-01-16

A new class of Mo/Fe/S clusters with the MoFe(3)S(3) core has been synthesized in attempts to model the FeMo-cofactor in nitrogenase. These clusters are obtained in reactions of the (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et (I), (n)Pr (II)] clusters with CO. The new clusters include those preliminarily reported: (Cl(4)-cat)MoFe(3)S(3)(PEt(3))(2)(CO)(6) (III), (Cl(4)-cat)(O)MoFe(3)S(3)(PEt(3))(3)(CO)(5) (IV), (Cl(4)-cat)(Pyr)MoFe(3)S(3)(PEt(3))(2)(CO)(6) (VI), and (Cl(4)-cat)(Pyr)MoFe(3)S(3)(P(n)Pr(3))(3)(CO)(4) (VIII). In addition the new (Cl(4)-cat)(O)MoFe(3)S(3)(P(n)Pr(3))(3)(CO)(5) cluster (IVa), the (Cl(4)-cat)(O)MoFe(3)S(3)(PEt(3))(2)(CO)(6)cluster (V), the (Cl(4)-cat)(O)MoFe(3)S(3)(P(n)Pr(3))(2)(CO)(6) cluster (Va), the (Cl(4)-cat)(Pyr)MoFe(3)S(3)(P(n)Pr(3))(2)(CO)(6) cluster (VIa), and the (Cl(4)-cat)(P(n)Pr(3))MoFe(3)S(3)(P(n)Pr(3))(2)(CO)(6) cluster (VII) also are reported. Clusters III-VIII have been structurally and spectroscopically characterized. EPR, zero-field (57)Fe-Mössbauer spectroscopic characterizations, and magnetic susceptibility measurements have been used for a tentative assignment of the electronic and oxidation states of the MoFe(3)S(3) sulfur-voided cuboidal clusters. A structural comparison of the clusters with the MoFe(3)S(3) subunit of the FeMo-cofactor has led to the suggestion that the storage of reducing equivalents into M-M bonds, and their use in the reduction of substrates, may occur with the FeMo-cofactor, which also appears to have M-M bonding. On the basis of this argument, a possible N(2)-binding and reduction mechanism on the FeMoco-cofactor is proposed.

Experimental studies on cycling stable characteristics of inorganic phase change material CaCl2·6H2O-MgCl2·6H2O modified with SrCl2·6H2O and CMC

Science.gov (United States)

He, Meizhi; Yang, Luwei; Zhang, Zhentao

2018-01-01

By means of mass ratio method, binary eutectic hydrated salts inorganic phase change thermal energy storage system CaCl2·6H2O-20wt% MgCl2·6H2O was prepared, and through adding nucleating agent 1wt% SrCl2·6H2O and thickening agent 0.5wt% carboxy methyl cellulose (CMC), inoganic phase change material (PCM) modified was obtained. With recording cooling-melting curves simultaneously, this PCM was frozen and melted for 100 cycles under programmable temperature control. After per 10 cycles, the PCM was charaterized by differential scanning calorimeter (DSC), X-ray diffraction (XRD) and density meter, then analysing variation characteristics of phase change temperature, supercooling degree, superheat degree, latent heat, crystal structure and density with the increase of cycle index. The results showed that the average values of average phase change temperature for cooling and heating process were 25.70°C and 27.39°C respectively with small changes. The average values of average supercooling and superheat degree were 0.59°C and 0.49°C respectively, and the maximum value was 1.10°C. The average value and standard deviation of latent heat of fusion were 120.62 J/g and 1.90 J/g respectively. Non-molten white solid sediments resulted from phase separation were tachyhydrite (CaMg2Cl6·12H2O), which was characterized by XRD. Measuring density of the PCM after per 10 cycles, and the results suggested that the total mass of tachyhydrite was limited. In summary, such modified inoganic PCM CaCl2·6H2O-20wt% MgCl2·6H2O-1wt% SrCl2·6H2O-0.5wt% CMC could stay excellent circulation stability within 100 cycles, and providing reference value in practical use.

Reactions of Three Lactones with Cl, OD, and O3

DEFF Research Database (Denmark)

Ausmeel, Stina; Andersen, C.; Nielsen, Ole John

2017-01-01

-methyl-γ-crotonolactone (3M-2(5H)-F) with Cl, OD, and O3 were investigated in a static chamber at 700 Torr and 298 ± 2 K. The relative rate method was used to determine kGVL+Cl = (4.56 ± 0.51) × 10-11, kGVL+OD = (2.94 ± 0.41) × 10-11, k2(5H)-F+Cl = (2.94 ± 0.41) × 10-11, k2(5H)-F+OD = (4.06 ± 0.073) × 10-12, k3M-2(5H......)-F+Cl = (16.1 ± 1.8) × 10-11, and k3M-2(5H)-F+OD = (12.6 ± 0.52) × 10-12, all rate coefficients in units of cm3 molecule-1 s-1. An absolute rate method was used to determine k2(5H)-F+O3 = (6.73 ± 0.18) × 10-20 and k3M-2(5H)-F+O3 = (5.42 ± 1.23) × 10-19 in units of cm3 molecule-1 s-1. Products were identified...

Favorable ultraviolet photoelectric effects in TbMnO3/Nb-SrTiO3 heterostructures

KAUST Repository

Jin, Kexin; Zhai, Y. X.; Li, Hui; Tian, Y. F.; Luo, B. C.; Wu, Tao

2014-01-01

The rectifying properties and ultraviolet photoelectric effects in TbMnO3/Nb-doped SrTiO3 heterostructures have been investigated. The ideality factors and the diffusion voltages obtained from the current-voltage curves nonlinearly decrease

Regulation of depletion layer width in Pb(Zr,Ti)O3/Nb:SrTiO3 heterostructures

Science.gov (United States)

Bai, Yu; Jie Wang, Zhan; Cui, Jian Zhong; Zhang, Zhi Dong

2018-05-01

Improving the tunability of depletion layer width (DLW) in ferroelectric/semiconductor heterostructures is important for the performance of some devices. In this work, 200-nm-thick Pb(Zr0.4Ti0.6)O3 (PZT) films were deposited on different Nb-doped SrTiO3 (NSTO) substrates, and the tunability of DLW at PZT/NSTO interfaces were studied. Our results showed that the maximum tunability of the DLW was achieved at the NSTO substrate with 0.5 wt% Nb. On the basis of the modified capacitance model and the ferroelectric semiconductor theory, we suggest that the tunability of the DLW in PZT/NSTO heterostructures can be attributed to a delicate balance of the depletion layer charge and the ferroelectric polarization charge. Therefore, the performance of some devices related to the tunability of DLW in ferroelectric/semiconductor heterostructures can be improved by modulating the doping concentration in semiconducting electrode materials.

The effect of Mg doping on the Raman spectra of LiNbO3 crystals

International Nuclear Information System (INIS)

Lengyel, K.; Kovacs, L.; Peter, A.; Polgar, K.; Corradi, G.; Bourson, P.

2007-01-01

LiNbO 3 :Mg crystals doped with 0-8 mol% Mg with stoichiometric, intermediate and congruent compositions were systematically investigated by Raman spectroscopy in backscattering y(zx)y and y(zz)y geometries. The halfwidths of E(TO 3 ) - E(TO 9 ) and A 1 (TO 1 ) - A 1 (TO 4 ) bands, which have a significant composition dependence for undoped LiNbO 3 crystals, show only weak Mg-concentration dependence below the photorefractive threshold. This is a consequence of the counteracting effect of the decreasing amount of Nb ions at Li-ion sites (Nb Li ) and increasing amount of Mg ions at Li-ion sites (Mg Li ). The halfwidths of these bands, however, increase linearly with growing Mg content for samples above the threshold, irrespective of the Li/Nb ratio. The same effect was observed in the Mg dependence of the position and halfwidth of the two-phonon band at about 689 - 705 cm -1 . The change in the Mg concentration dependence of these parameters at a given Li/Nb ratio determines the same threshold value as that concluded from IR and UV spectroscopic measurements. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Etching of LiNbO/sub 3/ by laser-driven fusion of salts

International Nuclear Information System (INIS)

Ashby, C.I.H.; Brannon, P.J.

1987-01-01

Lithium niobate exhibits low reactivity with most chemical etchants. Consequently, etching a LiNbO/sub 3/ surface to produce optical structures such as ridge waveguides or grooves for fiber coupling normally requires relatively slow processes such as ion milling. The authors have developed a laser-driven chemical etching process for etching highly unreactive ionic solids based on the fusion of salts in the molten phase and show that the etch rate can be more than 100 times faster than ion milling rates. This process involves spatially localized melting of LiNbO/sub 3/ by high-power density laser pulses with photon energies in excess of the band gap of LiNbO/sub 3/. While molten, LiNbO/sub 3/ undergoes reaction with a surface coating of KF to form niobium oxyfluoride anions by fusion of the salts. The resulting solid is highly water soluble. The insolubility of LiNbO/sub 3/ permits subsequent removal of only the irradiated area by rinsing in water. Surface morphology is determined by laser power density. The process exhibits a wavelength dependence

Method for preparing high transition temperature Nb.sub.3 Ge superconductors

Science.gov (United States)

Newkirk, Lawrence R.; Valencia, Flavio A.

1977-01-01

Bulk coatings of Nb.sub.3 Ge superconductors having transition temperatures in excess of 20 K are readily formed by a chemical vapor deposition technique involving the coreduction of NbCl.sub.5 and GeCl.sub.4 in the presence of hydrogen. The NbCl.sub.5 vapor may advantageously be formed quantitatively in the temperature range of about 250.degree. to 260.degree. C by the chlorination of Nb metal provided the partial pressure of the product NbCl.sub.5 vapor is maintained at or below about 0.1 atm.

Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

Directory of Open Access Journals (Sweden)

Erik Hennings

2014-12-01

Full Text Available The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetrahedral coordination with Cl− and in an octahedral environment defined by five water molecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O5] (pentaaqua-μ-chlorido-trichloridodizinc. The trihydrate {hexaaquazinc tetrachloridozinc, [Zn(H2O6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetrahedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octahedrally surrounded by water molecules. The [ZnCl4] tetrahedra and [Zn(H2O6] octahedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexaaquazinc tetrachloridozinc trihydrate, [Zn(H2O6][ZnCl4]·3H2O}, consists of isolated octahedral [Zn(H2O6] and tetrahedral [ZnCl4] units, as well as additional lattice water molecules. O—H...O hydrogen bonds between the water molecules as donor and ZnCl4 tetrahedra and water molecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures.

Investigation of the La2O3-Nb2O5-WO3 ternary phase diagram: Isolation and crystal structure determination of the original La3NbWO10 material

KAUST Repository

Vu, T.D.

2015-05-23

In the course of the exploration of the La2O3-WO3-Nb2O5 ternary phase diagram, a new compound with the formula La3NbWO10 was discovered. Its structure was determined from a combination of powder X-ray and neutron diffraction data. It crystallizes in the tetragonal space group P42/nmc (no. 137) with the lattice parameters: a=10.0807(1) Å; c=12.5540(1) Å. The structure is built up from infinite ribbons of octahedra (W/Nb)O5 which are perpendicular to each other, lanthanum ions being distributed around these ribbons. The electrical properties of this compound were investigated on sintered pellets by means of complex impedance spectroscopy. © 2015 Elsevier Inc. All rights reserved.

Photocatalytic degradation of malachite green dye using Au/NaNbO{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Baeissa, E.S., E-mail: elhambaeissa@gmail.com

2016-07-05

The morphology of sodium niobate, which was produced using a hydrothermal method, was studied by changing the hydrothermal temperature from 100 to 250 °C. Using 250 °C hydrothermal temperature resulted in sodium niobate with a nanocube structure. The sodium niobate nanocubes were doped with gold by impregnation with an aqueous solution of HAuCl{sub 4}. The band gap of sodium niobate is approximately 3.4 eV, and it was decreased to 2.45 eV by gold doping. The surface area of sodium niobate is higher than that of Au/NaNbO{sub 3} due to blockage of some pores of sodium niobate by gold doping. The photocatalytic performance of gold-doped sodium niobate was studied by degradation of malachite green dye using visible light irradiation. The results demonstrate that the photocatalytic performance of gold-doped sodium niobate is higher than that of sodium niobate and TiO{sub 2} Degussa under visible light irradiation. - Highlights: • Au/NaNbO{sub 3} were used for photocatalytic degradation of malachite green dye. • Photocatalytic degradation was dependent on wt % of Au; reaction time, and weight of catalyst. • Catalyst re-use revealed the present photocatalyst remain effective and active after five cycles.

Optical properties of the c-axis oriented LiNbO{sub 3} thin film

Energy Technology Data Exchange (ETDEWEB)

Shandilya, Swati; Sharma, Anjali [Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India); Tomar, Monika [Miranda House, University of Delhi, Delhi 110007 (India); Gupta, Vinay, E-mail: drguptavinay@gmail.com [Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India)

2012-01-01

C-axis oriented Lithium Niobate (LiNbO{sub 3}) thin films have been deposited onto epitaxially matched (001) sapphire substrate using pulsed laser deposition technique. Structural and optical properties of the thin films have been studied using the X-ray diffraction (XRD) and UV-Visible spectroscopy respectively. Raman spectroscopy has been used to study the optical phonon modes and defects in the c-axis oriented LiNbO{sub 3} thin films. XRD analysis indicates the presence of stress in the as-grown LiNbO{sub 3} thin films and is attributed to the small lattice mismatch between LiNbO{sub 3} and sapphire. Refractive index (n = 2.13 at 640 nm) of the (006) LiNbO{sub 3} thin films was found to be slightly lower from the corresponding bulk value (n = 2.28). Various factors responsible for the deviation in the refractive index of (006) LiNbO{sub 3} thin films from the corresponding bulk value are discussed and the deviation is mainly attributed to the lattice contraction due to the presence of stress in deposited film.

Electrical Properties of Ba3Ca1.18Nb1.82O9-  Proton-Conducting Electrolyte Prepared by a Combustion Method

KAUST Repository

Bi, Lei

2013-10-07

Ba3Ca1.18Nb1.82O9-δ (BCN18), regarded as a promising proton-conducting electrolyte material for solid oxide fuel cells, is usually synthesized by a solid-state reaction because of the limited choice of Nb precursors. This study presents a wet chemical route for preparing BCN18 powders that were then sintered into pellets. Electrochemical impedance spectroscopy studies indicated that BCN18 pellets show proton conductivity, since their total conductivity in wet air was significantly larger than that in dry air. However, a detailed analysis showed that only the BCN18 bulk behaves as a proton conductor, while its grain boundary conductivity did not increase in wet air.

Micro-nanocomposites Al2O3/ NbC/ WC and Al2O3/ NbC/ TaC

International Nuclear Information System (INIS)

Santos, Thais da Silva

2014-01-01

Alumina based ceramics belong to a class of materials designated as structural, which are widely used in cutting tools. Although alumina has good properties for application as a structural ceramics, composites with different additives have been produced with the aim of improving its fracture toughness and mechanical strength. New studies point out micro-nanocomposites, wherein the addition of micrometric particles should enhance mechanical strength, and nano-sized particles enhance fracture toughness. In this work, alumina based micro nanocomposites were obtained by including nano-sized NbC and micrometer WC particles at 2:1, 6:4, 10:5 and 15:10 vol% proportions, and also with the inclusion of nano-sized NbC and micrometer TaC particles at 2:1 vol% proportion. For the study of densification, micro-nanocomposites were sintered in a dilatometer with a heating rate of 20°C/min until a temperature of 1800°C in argon atmosphere. Based on the dilatometry results, specimens were sintered in a resistive graphite furnace under argon atmosphere between 1500°C and 1700°C by holding the sintering temperature for 30 minutes. Densities, crystalline phases, hardness and tenacity were determined, and micro-nanocomposites microstructures were analyzed. The samples Al 2 O 3 : NbC: TaC sintered at 1700 ° C achieved the greater apparent density (~ 95% TD) and the sample sintered at 1600 ° C showed homogeneous microstructure and increased hardness value (15.8 GPa) compared to the pure alumina . The compositions with 3% inclusions are the most promising for future applications. (author)

Temperature stability of c-axis oriented LiNbO3/SiO2/Si thin film layered structures

International Nuclear Information System (INIS)

Tomar, Monika; Gupta, Vinay; Mansingh, Abhai; Sreenivas, K.

2001-01-01

Theoretical calculations have been performed for the temperature stability of the c-axis oriented LiNbO 3 thin film layered structures on passivated silicon (SiO 2 /Si) substrate with and without a non-piezoelectric SiO 2 overlayer. The phase velocity, electromechanical coupling coefficient and temperature coefficient of delay (TCD) have been calculated. The thicknesses of various layers have been determined for optimum SAW performance with zero TCD. The presence of a non-piezoelectric SiO 2 overlayer on LiNbO 3 film is found to significantly enhance the coupling coefficient. The optimized results reveal that a high coupling coefficient of K 2 =3.45% and a zero TCD can be obtained in the SiO 2 /LiNbO 3 /SiO 2 /Si structure with a 0.235λ thick LiNbO 3 layer sandwiched between 0.1λ thick SiO 2 layers. (author)

Large room-temperature tunneling anisotropic magnetoresistance and electroresistance in single ferromagnet/Nb:SrTiO3 Schottky devices.

Science.gov (United States)

Kamerbeek, Alexander M; Ruiter, Roald; Banerjee, Tamalika

2018-01-22

There is a large effort in research and development to realize electronic devices capable of storing information in new ways - for instance devices which simultaneously exhibit electro and magnetoresistance. However it remains a challenge to create devices in which both effects coexist. In this work we show that the well-known electroresistance in noble metal-Nb:SrTiO 3 Schottky junctions can be augmented by a magnetoresistance effect in the same junction. This is realized by replacing the noble metal electrode with ferromagnetic Co. This magnetoresistance manifests as a room temperature tunneling anisotropic magnetoresistance (TAMR). The maximum room temperature TAMR (1.6%) is significantly larger and robuster with bias than observed earlier, not using Nb:SrTiO 3 . In a different set of devices, a thin amorphous AlO x interlayer inserted between Co and Nb:SrTiO 3 , reduces the TAMR by more than 2 orders of magnitude. This points to the importance of intimate contact between the Co and Nb:SrTiO 3 for the TAMR effect. This is explained by electric field enhanced spin-orbit coupling of the interfacial Co layer in contact with Nb:SrTiO 3 . We propose that the large TAMR likely has its origin in the 3d orbital derived conduction band and large relative permittivity of Nb:SrTiO 3 and discuss ways to further enhance the TAMR.

Transmission electron microscope studies of crystalline LiNbO3

International Nuclear Information System (INIS)

Pareja, R.; Gonzalez, R.; Chen, Y.

1984-01-01

Transmission electron microscope investigations in both as-grown and hydrogen-reduced LiNbO 3 reveal that niobium oxide precipitates can be produced by in situ irradiations in the electron microscope. The precipitation process is produced by a combined effect of ionizing electrons and the thermal heating of the specimens during irradiation. It is proposed that the composition of the precipitates is primarily Nb 2 O 5

Preparation and crystal structure of the phosphato-niobate Tl sub 3 NaNb sub 4 O sub 9 (PO sub 4 ) sub 2

Energy Technology Data Exchange (ETDEWEB)

Fakhfakh, M. (Tunis Univ. (Tunisia). Faculte des Sciences); Verbaere, A. (Nantes Univ., 44 (France)); Jouini, N. (Ecole Normale Superieure de l' Enseignement Technique, Tunis (TN))

1992-01-01

Chemical preparation and crystal structure are described. The symmetry is orthorhombic, space group C2cm. The crystal structure has been determined using. The structure is built up from NbO{sub 6} octahedra sharing corners and PO{sub 4} tetrahedra sharing three of their corners with octahedra to form chains running along c. These chains are connected together by isolted NbO{sub 6} octahedra leasing to a three-dimensional framework which delimits cavities and tunnels occupied by the Tl and Na ions.

Ground and excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters: Insight into the electronic structure of the [Fe(H2O)6]2+ – [Fe(H2O)6]3+ complex

Energy Technology Data Exchange (ETDEWEB)

Miliordos, Evangelos; Xantheas, Sotiris S.

2015-04-14

We report the ground and low lying electronically excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters using multi-configuration electronic structure theory. In particular, we have constructed the Potential Energy Curves (PECs) with respect to the iron-oxygen distance when removing all water ligands at the same time from the cluster minima and established their correlation to the long range dissociation channels. Due to the fact that both the second and third ionization potentials of iron are larger than the one for water, the ground state products asymptotically correlate with dissociation channels that are repulsive in nature at large separations as they contain at least one H2O+ fragment and a positive metal center. The most stable equilibrium structures emanate – via intersections and/or avoided crossings – from the channels consisting of the lowest electronic states of Fe2+(5D; 3d6) or Fe3+(6S; 3d5) and six neutral water molecules. Upon hydration, the ground state of Fe2+(H2O)6 is a triply (5Tg) degenerate one with the doubly (5Eg) degenerate state lying slightly higher in energy. Similarly, Fe3+(H2O)6 has a ground state of 6Ag symmetry under Th symmetry. We furthermore examine a multitude of electronically excited states of many possible spin multiplicities, and report the optimized geometries for several selected states. The PECs for those cases are characterized by a high density of states. Focusing on the ground and the first few excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters, we studied their mutual interaction in the gas phase. We obtained the optimal geometries of the Fe2+(H2O)6 – Fe3+(H2O)6 gas phase complex for different Fe–Fe distances. For distances shorter than 6.0 Å, the water molecules in the respective first solvation shells located between the two metal centers were found to interact via weak hydrogen bonds. We examined a total of ten electronic states for this complex, including those corresponding to the

X-ray investigation of Nb/O interfaces