Atmospheric chemistry of perfluorinated aldehyde hydrates (n-C(x)F(2x+1)CH(OH)2, x = 1, 3, 4)

DEFF Research Database (Denmark)

Andersen, Mads Peter Sulbæk; Toft, A.; Nielsen, O.J.

2006-01-01

. Bubbling CF(3)CHO/air mixtures through liquid water led to >80% conversion of CF(3)CHO into the hydrate within the approximately 2 s taken for passage through the bubbler. These results suggest that OH radical initiated oxidation of C(x)F(2x+1)CH(OH)(2) hydrates could be a significant source...

Thermodynamic study of binary mixture of x1[C6mim][BF4] + x21-propanol: Measurements and molecular modeling

International Nuclear Information System (INIS)

Kermanpour, F.; Sharifi, T.

2012-01-01

Highlights: ► Densities and viscosities for binary mixture of {x 1 [C 6 mim][BF 4 ] + x 2 1-propanol} were measured at different temperatures. ► The excess molar functions were calculated from the obtained experimental data. ► These data were correlated with the Redlich–Kister equation and PFP model to obtain the coefficients and standard deviations. - Abstract: Densities, ρ, and viscosities, η, of pure 1-hexyl-3-methylimidazoliumtetrafluoro borate ([C 6 mim][BF 4 ]) and 1-propanol, and their binary mixture {x 1 [C 6 mim][BF 4 ] + x 2 1-propanol} were measured at atmospheric pressure and in the temperature range of 293.15–333.15 K. The excess molar volumes, V m E , thermal expansion coefficients, α, and their excess values, α E , isothermal coefficient of excess molar enthalpy, (∂H m E /∂p) T,x and excess viscosities, η E , were calculated from the experimental values of densities and viscosities. The excess molar volumes of the binary mixture are negative over the entire mole fraction range and increase with increasing temperature. Excess viscosities are negative over the entire mole fraction range of the mixture and decrease with increasing temperature. The obtained excess molar volumes and excess viscosities were correlated with the Redlich–Kister equation. The experimental results have also been used to examine the applicability of Prigogine–Flory–Patterson (PFP) theory in predicting the excess molar volume of the binary mixture. It is indicated that agreement between excess molar volumes calculated via PFP theory and the experimental results is good in all temperatures.

Structure determination of two structural analogs, named 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) by synchrotron X-ray powder diffraction

Energy Technology Data Exchange (ETDEWEB)

Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betül

2017-12-01

Two novel compounds, 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C₂₃H₁₆F₂N₄S) (1) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C₂₃H₁₆ClFN₄S) (2), have been designed and synthesized as cytotoxic agents. The compounds were characterized by infrared, proton nuclear magnetic resonance, mass spectral data, elemental analysis and X-ray powder diffraction. The present study comprises spectral data and crystal structures of these novel compounds determined from synchrotron X-ray powder diffraction data. The structure solutions were obtained by simulated annealing. The final structures were achieved by Rietveld refinement using soft restraints for all bond lengths, bond angles, and planar groups. Both compounds crystallize in space group1' mime-subtype='gif' type='simple'/>$P\\bar 1$,Z= 2, with the unit-cell parametersa= 6.37433(9),b= 11.3641(2),c= 14.09115(19) Å,α= 80.1740(8)°,β= 85.1164(8)°,γ= 80.9831(10)°,V= 991.55(3) ųof compound (1) anda= 6.53736(6),b= 11.55725(15),c= 14.01373(13) Å,α= 80.3323(7)°,β= 84.8939(6)°,γ= 79.3954(8)°,V= 1024.08(2) ųof compound (2). Structural analyses reveal that the title compounds are isostructural.

Synthesis of LiNixFe1−xPO4 solid solution as cathode materials for lithium ion batteries

International Nuclear Information System (INIS)

Qing, Rui; Yang, Ming-Che; Meng, Ying Shirley; Sigmund, Wolfgang

2013-01-01

Highlights: • Phase pure LiNi x Fe 1−x PO 4 and LiNi x Fe 1−x PO 4 /C nanocomposites were obtained via a solid state reaction method. • Crystallite sizes were around 50 nm. Linear relationship was observed between lattice parameters and chemical composition. • Synthesized materials displayed electronic conductivity similar to reported value of LiFePO 4 . Carbon coating increased the conductivity to ∼10 −3 S/cm. • Chemical delithiation via NO 2 BF 4 extracted more than 90% of lithium from the nanocomposites, proving that Ni 2+ /Ni 3+ redox couple was activated. -- Abstract: Nanosize LiNi x Fe 1−x PO 4 solid solution and LiNi x Fe 1−x PO 4 /C nanocomposites were prepared via a solid state reaction method under argon atmosphere. A single phase olivine-type structure with Pnma space group was determined by X-ray diffraction. Crystallite sizes were found to be around 50 nm. A linear relationship was observed between lattice parameters and chemical composition which follows Vegard's law. Synthesized materials displayed electronic conductivity similar to previous reported values of LiFePO 4 . Carbon coating further increased the overall conductivity of nanocomposites to the order of 10 −3 S/cm. Chemical delithiation via NO 2 BF 4 oxidant extracted more than 95% of lithium from the solid solution material accompanied by a decrease in lattice parameters

Extraction of UO22+ by two highly sterically hindered (X1) (X2) PO(OH) extractants from an aqueous chloride phase

International Nuclear Information System (INIS)

Mason, G.W.; Lewey, S.M.; Gilles, D.M.; Peppard, D.F.

1978-01-01

The comparative extraction behaviour of tracer-level UO 2 2+ into benzene solutions of two highly sterically hindered extractants, di(2,6-di-iso-propylphenyl) phosphoric acid, HD(2,6-i-PPHI)P and di-tertiary-butyl phosphinic acid, H[Dt-BP], vs an aqueous 1.0 F (NaCl + HCl) phase was studied. The extraction of UO 2 2+ in both systems is directly second-power dependent upon extractant concentration and inversely second-power dependent upon hydrogen ion concentration, the stoichiometry of extraction being UOsub(2A) 2+ + 2(HY)sub(2O) = UO 2 (HY 2 )sub(2O) + 2Hsub(A) + . The expression for the distribution ratio, K is K = Ksub(s)F 2 /[H + ] 2 the general expression for the extraction of any metallic species being K - Ksub(s)Fsup(a)/[H + ]sup(b) where Ksub(s) is a constant characteristic of the system, F the concentration in formality units of extractant in the organic phase, [H + ] the concentration of hydrogen ion in the aqueous phase, and a and b the respective extractant and hydrogen-ion dependencies. Both extractants have a high degree of steric hindrance. The HD(2,6-i-PPHI)P is the more highly acidic, the pKsub(A) value, in 75% ethanol, being 3.2. The pKsub(A), previously reported, for H[Dt-BP] is 6.26. The Ksub(s) for UO 2 2+ in the system HY in benzene diluent vs an aqueous 1.0 F (NaCl + HCl) phase is 2 x 10 4 for H[Dt-BP] and 3 x 10 -1 for HD(2,6-i-PPHI)P; the ratio of the Ksub(s) values nearly 7 x 10 3 , favours the less acidic extractant. For comparative purposes, the Ksub(s) values for UO 2 2+ and for Am 3+ and Eu 3+ in other (X 1 )(X 2 )PO(OH), in benzene diluent, vs 1.0 F (NaCl + HCl) systems are presented. The variations are discussed in terms of the pKsub(A) of the extractant and the steric hindrance within the extractant. (author)

Synergetic Fe substitution and carbon connection in LiMn1−xFexPO4/C cathode materials for enhanced electrochemical performances

International Nuclear Information System (INIS)

Yan, Su-Yuan; Wang, Cheng-Yang; Gu, Rong-Min; Sun, Shuai; Li, Ming-Wei

2015-01-01

Highlights: • LiMn 0.6 Fe 0.4 PO 4 /C cathode material shows enhanced rate capability. • The Fe doped in the partial Mn sites could significantly facilitate the Li ions transfer. • The enhanced Li + ions diffusion contributes to the optimized rate capability of LiMn 0.6 Fe 0.4 PO 4 . • ACM carbonization forms well carbon coating and a 3D carbon network structure. - Abstract: To enhance the rate and cyclic performances of LiMnPO 4 cathode material for lithium-ion batteries, Mn is partially substituted with Fe, and LiMn 1−x Fe x PO 4 (x = 0.2, 0.3, 0.4, 0.5) solid solutions are synthesized and investigated. Amphiphilic carbonaceous material (ACM) forms well carbon coating and connects the LiMn 1−x Fe x PO 4 crystallites by a three-dimensional (3D) carbon network. The synergetic Fe substitution and carbon connection obviously improve the samples’ rate capacities and cyclic stability. The optimized LiMn 0.6 Fe 0.4 PO 4 /C sample delivers discharge capacities of 160 mA h g −1 at 0.05 C, 148 mA h g −1 at 1 C, and 115 mA h g −1 at 20 C. All samples have well capacity retention (>92%) after 50 charge/discharge cycles at 1 C. The enhanced electrochemical properties are mainly attributed to the improvement of Li ion and electron transport in the LiMn 1−x Fe x PO 4 /C samples, respectively mainly resulting from their modified crystal structures caused by Fe substitution and the 3D carbon coating/connection originating from ACM carbonization. LiMn 1−x Fe x PO 4 materials exhibit two discharge plateaus at ∼4.0 and ∼3.5 V (vs. Li + /Li), whose heights respectively reflect the redox potentials of Mn 3+ /Mn 2+ and Fe 3+ /Fe 2+ couples. The plateaus’ lengths correspond to the Mn/Fe ratio in LiMn 1−x Fe x PO 4 and are affected by the kinetic behavior of samples. Though the ∼4.0 V plateau shrinks with increasing discharge rate, the ∼3.5 V plateau may slightly elongate. Moreover, the Fe substituted in the partial Mn sites could significantly improve

Synergetic Fe substitution and carbon connection in LiMn{sub 1−x}Fe{sub x}PO{sub 4}/C cathode materials for enhanced electrochemical performances

Energy Technology Data Exchange (ETDEWEB)

Yan, Su-Yuan; Wang, Cheng-Yang [Key Laboratory for Green Chemical Technology of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China); Gu, Rong-Min [Department of Chemistry, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China); Sun, Shuai [Key Laboratory for Green Chemical Technology of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China); Li, Ming-Wei, E-mail: mingweili@tju.edu.cn [Department of Chemistry, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineer (Tianjin), Tianjin University, Tianjin 300072 (China)

2015-04-15

Highlights: • LiMn{sub 0.6}Fe{sub 0.4}PO{sub 4}/C cathode material shows enhanced rate capability. • The Fe doped in the partial Mn sites could significantly facilitate the Li ions transfer. • The enhanced Li{sup +} ions diffusion contributes to the optimized rate capability of LiMn{sub 0.6}Fe{sub 0.4}PO{sub 4}. • ACM carbonization forms well carbon coating and a 3D carbon network structure. - Abstract: To enhance the rate and cyclic performances of LiMnPO{sub 4} cathode material for lithium-ion batteries, Mn is partially substituted with Fe, and LiMn{sub 1−x}Fe{sub x}PO{sub 4} (x = 0.2, 0.3, 0.4, 0.5) solid solutions are synthesized and investigated. Amphiphilic carbonaceous material (ACM) forms well carbon coating and connects the LiMn{sub 1−x}Fe{sub x}PO{sub 4} crystallites by a three-dimensional (3D) carbon network. The synergetic Fe substitution and carbon connection obviously improve the samples’ rate capacities and cyclic stability. The optimized LiMn{sub 0.6}Fe{sub 0.4}PO{sub 4}/C sample delivers discharge capacities of 160 mA h g{sup −1} at 0.05 C, 148 mA h g{sup −1} at 1 C, and 115 mA h g{sup −1} at 20 C. All samples have well capacity retention (>92%) after 50 charge/discharge cycles at 1 C. The enhanced electrochemical properties are mainly attributed to the improvement of Li ion and electron transport in the LiMn{sub 1−x}Fe{sub x}PO{sub 4}/C samples, respectively mainly resulting from their modified crystal structures caused by Fe substitution and the 3D carbon coating/connection originating from ACM carbonization. LiMn{sub 1−x}Fe{sub x}PO{sub 4} materials exhibit two discharge plateaus at ∼4.0 and ∼3.5 V (vs. Li{sup +}/Li), whose heights respectively reflect the redox potentials of Mn{sup 3+}/Mn{sup 2+} and Fe{sup 3+}/Fe{sup 2+} couples. The plateaus’ lengths correspond to the Mn/Fe ratio in LiMn{sub 1−x}Fe{sub x}PO{sub 4} and are affected by the kinetic behavior of samples. Though the ∼4.0 V plateau shrinks with

MAX phase formation by intercalation upon annealing of TiC{sub x}/Al (0.4 {<=} x {<=} 1) bilayer thin films

Energy Technology Data Exchange (ETDEWEB)

Abdulkadhim, Ahmed; Takahashi, Tetsuya [Materials Chemistry, RWTH Aachen University, Kopernikusstrasse 10, 52074 Aachen (Germany); Music, Denis, E-mail: music@mch.rwth-aachen.de [Materials Chemistry, RWTH Aachen University, Kopernikusstrasse 10, 52074 Aachen (Germany); Munnik, Frans [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstrasse 400, 01328 Dresden (Germany); Schneider, Jochen M. [Materials Chemistry, RWTH Aachen University, Kopernikusstrasse 10, 52074 Aachen (Germany)

2011-09-15

TiC{sub x}/Al bilayer thin films were synthesized using combinatorial magnetron sputtering to study the influence of C content on the reaction products at different annealing temperatures. Based on energy-dispersive X-ray analysis calibrated by elastic recoil detection analysis data, x in TiC{sub x} was varied from 0.4 to 1.0. Film constitution was studied by X-ray diffraction before and after annealing at temperatures from 500 to 1000 deg. C. The formation of TiC{sub x} and Al in the as-deposited samples over the whole C/Ti range was identified. Upon annealing, TiC{sub x} reacts with Al to form Ti-Al-based intermetallics. At temperatures as low as 700 deg. C, the formation of MAX phases (space group P6{sub 3}/mmc) is observed at x {<=} 0.7. Based on the comparison between the C content induced changes in the lattice spacing of TiC{sub x} and Ti{sub 2}AlC as well as Ti{sub 3}AlC{sub 2}, we infer the direct formation of MAX phases by Al intercalation into TiC{sub x} for x {<=} 0.7.

Analytical representation of the thermal conductivity and electrical resistivity of UC/sub 1 +- x/, PuC/sub 1-x/, and (U/sub y/Pu/sub 1-y/)C/sub 1 +- x/

International Nuclear Information System (INIS)

Storms, E.K.

1982-12-01

This report uses selected measurements from the literature to construct analytical expressions that describe the electrical and thermal conductivity of pure, high-density UC/sub 1 +- x/, PuC/sub 1-x/, and (U/sub y/Pu/sub 1-y/C/sub 1 +- x/ as a function of x,y, and temperature. The approach shows that many of the differences between the reported measurements can be resolved if the carbon cntent of the single-phase material is taken into account. Analytical expressions are also given that describe the temperature variation of the phase boundaries for these phases. 16 figures

Homoleptic diphosphacyclobutadiene complexes [M(η(4)-P2C2R2)2]x- (M = Fe, Co; x = 0, 1).

Science.gov (United States)

Wolf, Robert; Ehlers, Andreas W; Khusniyarov, Marat M; Hartl, František; de Bruin, Bas; Long, Gary J; Grandjean, Fernande; Schappacher, Falko M; Pöttgen, Rainer; Slootweg, J Chris; Lutz, Martin; Spek, Anthony L; Lammertsma, Koop

2010-12-27

The preparation and comprehensive characterization of a series of homoleptic sandwich complexes containing diphosphacyclobutadiene ligands are reported. Compounds [K([18]crown-6)(thf)(2)][Fe(η(4)-P(2)C(2)tBu(2))(2)] (K1), [K([18]crown-6)(thf)(2)][Co(η(4)-P(2)C(2)tBu(2))(2)] (K2), and [K([18]crown-6)(thf)(2)][Co(η(4)-P(2)C(2)Ad(2))(2)] (K3, Ad = adamantyl) were obtained from reactions of [K([18]crown-6)(thf)(2)][M(η(4)-C(14)H(10))(2)] (M = Fe, Co) with tBuC[triple bond]P (1, 2), or with AdC[triple bond]P (3). Neutral sandwiches [M(η(4)-P(2)C(2)tBu(2))(2)] (4: M = Fe 5: M = Co) were obtained by oxidizing 1 and 2 with [Cp(2)Fe]PF(6). Cyclic voltammetry and spectro-electrochemistry indicate that the two [M(η(4)-P(2)C(2)tBu(2))(2)](-)/[M(η(4)-P(2)C(2)tBu(2))(2)] moieties can be reversibly interconverted by one electron oxidation and reduction, respectively. Complexes 1-5 were characterized by multinuclear NMR, EPR (1 and 5), UV/Vis, and Mössbauer spectroscopies (1 and 4), mass spectrometry (4 and 5), and microanalysis (1-3). The molecular structures of 1-5 were determined by using X-ray crystallography. Essentially D(2d)-symmetric structures were found for all five complexes, which show the two 1,3-diphosphacyclobutadiene rings in a staggered orientation. Density functional theory calculations revealed the importance of covalent metal-ligand π bonding in 1-5. Possible oxidation state assignments for the metal ions are discussed.

EXAFS analysis of cations distribution in structure of Co_1_−_xNi_xFe_2O_4 nanoparticles obtained by hydrothermal method in aloe vera extract solution

International Nuclear Information System (INIS)

Wongpratat, Unchista; Maensiri, Santi; Swatsitang, Ekaphan

2016-01-01

Graphical abstract: It is obvious from the M–H curves at room temperature of Co_1_−_xNi_xFe_2O_4 (x = 0, 0.25, 0.50, 0.75 and 1.0) nanoparticles that partially substitution of the lower Bohr magneton (2 μ_B) and smaller atomic radii (0.55 Å at A site, 0.69 Å at B site) of Ni"2"+ ions on the higher Bohr magneton (3 μ_B) and larger atomic radii (0.58 Å at A site, 0.74 Å at B site) of Co"2"+ ions can increase the saturation magnetization (M_s) of sample with x = 0.75 to approximately 1.4 times of sample with x = 0, due to the increase of the aspect ratio (surface to volume) of nanoparticles, as a result of particle size decreasing from 37.03 to 12.63 nm. In addition to this, the ferrimagnetic behavior of CoFe_2O_4 has been changed to superparamagnetic behavior with the dramatic decrease of the coercivity from 1365.60 to 63.15 Oe. - Highlights: • Magnetic behavior of Co_1_−_xNi_xFe_2O_4 NPs depends on Ni content and size of NPs. • Distribution of Co"2"+ and Ni"2"+ ions in the structure results in the increase of M_s. • Superparamagnetic behavior is observed with increasing of the aspect ratio. • M_s is increased by a factor 1.4 to a value of 57.57 emu/g in Co_0_._2_5Ni_0_._7_5Fe_2O_4. • H_c is decreased by a factor 20 to a value of 63.15 Oe in Co_0_._2_5Ni_0_._7_5Fe_2O_4. - Abstract: Effect of cations distribution upon EXAFS analysis on magnetic properties of Co_1_−_xNi_xFe_2O_4 (x = 0, 0.25, 0.50, 0.75 and 1.0) nanoparticles prepared by the hydrothermal method in aloe vera extract solution were studied. XRD analysis confirmed a pure phase of cubic spinel ferrite of all samples. Changes in lattice parameter and particle size depended on the Ni content with partial substitution and site distributions of Co"2"+, Ni"2"+ ions of different ionic radii at both tetrahedral and octahedral sites in the crystal structure. Particle sizes of samples estimated by TEM images were found to be in the range of 10.87–62.50 nm. The VSM results at room

Complex titanates Sr_1_-_xPb_xLi_2Ti_6O_1_4 (0≤x≤1) as anode materials for high-performance lithium-ion batteries

International Nuclear Information System (INIS)

Qian, Shangshu; Yu, Haoxiang; Yan, Lei; Li, Peng; Lin, Xiaoting; Wu, Yaoyao; Long, Nengbing; Shui, Miao; Shu, Jie

2016-01-01

Highlights: • Sr_1_-_xPb_xLi_2Ti_6O_1_4 (0≤x≤1) is prepared by a simple solid state reaction. • Sr_0_._5Pb_0_._5Li_2Ti_6O_1_4 exhibits enhanced lithium storage capability. • Sr_0_._5Pb_0_._5Li_2Ti_6O_1_4 can deliver a capacity of 141.8 mAh g"−"1 at 700 mA g"−"1. • In-situ XRD is performed to study the reversibility of Sr_1_-_xPb_xLi_2Ti_6O_1_4. - Abstract: With the Pb doping content at Sr-site increasing, a series of Sr_1_-_xPb_xLi_2Ti_6O_1_4 (x = 0, 0.25, 0.50, 0.75, 1.0) are synthesized by a simple solid-state reaction. It is found that the reversible capacity and rate capability experience a parabolic course from SrLi_2Ti_6O_1_4 to PbLi_2Ti_6O_1_4. Among all the as-prepared samples, Sr_0_._5Pb_0_._5Li_2Ti_6O_1_4 shows the best cycling and rate properties. It delivers an initial charge capacity of 163.2 mAh g"−"1 at 100 mA g"−"1 with the capacity retention of 96.08% after 100 cycles. In addition, it can also deliver a reversible capacity of 141.8 mAh g"−"1 at 700 mA g"−"1. The superior electrochemical properties of Sr_0_._5Pb_0_._5Li_2Ti_6O_1_4 are attributed to the reduced charge transfer resistance and increased lithium-ion diffusion coefficient after doping. Besides, in-situ X-ray diffraction is also performed to investigate the lithium-ion insertion/extraction behaviors of SrLi_2Ti_6O_1_4, Sr_0_._5Pb_0_._5Li_2Ti_6O_1_4 and PbLi_2Ti_6O_1_4. The observed results confirm that Sr_0_._5Pb_0_._5Li_2Ti_6O_1_4 has good structural stability and reversibility for repeated lithium storage.

[Study on crystal growth and vibrational spectra of Yb(x) : KY(1-x) (WO4)2].

Science.gov (United States)

Liu, Jing-He; Zhang, Ying; Zhang, Li-Jie; Zeng, Fan-Ming; Wang, Cheng-Wei; Zhang, Xue-Jian

2008-02-01

Yb(x) : KY(1-x)W (x = 0.05)and KYbW crystals were grown by TSSG method. Both of the structure and spectral properties were compared. The condition for the crystal growth is: the rotation rate 10-15 r x min(-1), the pulling speed 1-2 d(-1), the growing period 10-15 d, cooling growing speed 0.05-0.1 degrees C x h(-1), and the cooling speed 20 degrees C x h(-1). X-ray powder diffraction analysis was performed for the crystal powder. They belong to beta-KYW structure with low thermal phase. The cell parameters of the two crystals were calculated, and they are respectively a1 = 1.063 nm, b1 = 1.034 nm, c1 = 0.755 nm, beta1 = 130.75 degrees, Z1 = 4 and a2 = 1.061 nm, b2 = 1.029 nm, c2 = 0.749 nm, beta2 = 130.65 degrees and Z2 = 4. The infrared spectrum and Raman spectrum of crystal were measured. The sample of Yb(x) : KY(1-x) W (x = 0.05) had stronger infrared absorption peaks at 925, 891, 840, 777 and 749 cm(-1), which were caused by stretching vibration. The sample of KYW had stronger infrared absorption peaks at 484 and 437 cm(-1) caused by bending vibration. The vibration modes were analysed and vibrational frequencies of vibratory activity was assigned. The two crystals had strong Raman activity. The vibration of WOOW and WOW exists from 200 to 1000 cm(-1).

The role of dysprosium on the structural and magnetic properties of (Nd_1_−_xDy_x)_2Fe_1_4B nanoparticles

International Nuclear Information System (INIS)

Rahimi, Hamed; Ghasemi, Ali; Mozaffarinia, Reza; Tavoosi, Majid

2017-01-01

In current work, Nd2Fe14B nanoparticles was synthesized by sol-gel method. Dysprosium powders were added into Nd2Fe14B nanoparticles by mechanical alloying process in order to enhancement of coercivity. The phase analysis, structure, and magnetic properties of annealed (Nd_1_−_xDy_x)_2Fe_1_4B nanoparticles with different Dy-content (x=0.1, 0.2, 0.3, 0.4, 0.5, 0.6) were investigated by employing X-ray diffraction, X-ray photoelectron spectroscopy, energy dispersive spectroscopy, field emission scanning electron microscope, transmission electron microscope and vibrating sample magnetometer techniques. The results showed that with an increase in Dy amounts, the coercivity of particles increased from 2.9 kOe to 13.4 kOe and then decreased to 5.6 kOe. By adding an optimum amount of Dy (x=0.4), the coercivity was significantly increased from 2.9 kOe to 13.4 kOe. The average particle size of annealed (Nd_1_−_xDy_x)_2Fe_1_4B nanoparticles was below 10 nm. Magnetization reversal studies indicate that the coercivity of milled and annealed (Nd_1_−_xDy_x)_2Fe_1_4B nanoparticles is controlled by the nucleation of reversed magnetic domains. The experimental results in the angular dependence of coercivity for (Nd_1_−_xDy_x)_2Fe_1_4B permanent magnets showed that the normalized coercivity of the permanent magnets H_c(θ)/H_c(0) increases from 1 to about 1.2–1.5 with increasing θ from 0 to about π/3, for x=0.4–0.6. - Highlights: • Dy was added to Nd_2Fe_1_4B nanoparticles to improve the coercivity. • A maximum squareness ratio of 0.99 was obtained. • The average particle size decreased with an increase in Dy-content.

Structure and electrochemical performances of LiFe{sub 1−2x}Ti{sub x}PO{sub 4}/C cathode doped with high valence Ti{sup 4+} by carbothermal reduction method

Energy Technology Data Exchange (ETDEWEB)

Fan, Chang-ling, E-mail: clfanhd@yahoo.com.cn [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Han, Shao-chang [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Li, Ling-fang [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); College of Mechanical Engineering, Hunan University of Art and Science, Changde 415000 (China); Bai, Yong-mei [Equipment Manufacturing College, Hebei University of Engineering, Handan 056038 (China); Zhang, Ke-he; Chen, Jin; Zhang, Xiang [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

2013-11-05

Highlights: •LiFePO{sub 4}/C and LiFe{sub 1−2x}Ti{sub x}PO{sub 4}/C are prepared by carbothermal reduction method. •Phenol–formaldehyde resin is used as reducing agent and carbon source. •Mechanism of carbothermal reduction reaction is presented on the basis of TG–DSC. •The electrochemical performances of samples are systematically investigated. -- Abstract: LiFePO{sub 4}/C (LFPC) and LiFe{sub 1−2x}Ti{sub x}PO{sub 4}/C (LFTPC) were prepared by carbothermal reduction method using FePO{sub 4}·2H{sub 2}O as iron source and phenol–formaldehyde resin as reducing agent and carbon source. Different ratios of TiO{sub 2} (IV) with high valence and small radius were applied to dope LiFePO{sub 4} to enhance its electrochemical performances. Results show that LFPC and LFTPC are synthesized successfully by carbothermal reduction method. The optimal carbon content in LFPC is 5 wt.% and its discharge capacity at 0.1 C is 150.8 mA h g{sup −1}. The crystallite structure of LFTPC becomes stable. They possess the smaller particle size compared with LiFePO{sub 4}. LFTPC-2 possesses the best C-rate and cycle performances among all the samples. Its discharge capacities at 0.1 C, 1 C and 3 C are 132.7 mA h g{sup −1}, 98.7 mA h g{sup −1} and 83.1 mA h g{sup −1}. The discharge curve can maintain its stable and flat platform of 3.3 V at 3 C. The electronic conductivity of LFTPC, which is coated with carbon and doped with Ti, can reach ∼10{sup −4} S cm{sup −1}. The charge transfer resistance of LFTPC-2 is 33.68 Ω, which is much lower than that of other samples.

United States Air Force Analysis Extract. AFSC 4M0X1 Aerospace Physiology (Active Duty)

Science.gov (United States)

2002-05-01

Perform NCOIC duties during hyperbaric chamber dives 12.50 1.46 .18 76.76 A0004 Maintain hypobaric chamber...during hyperbaric 58.33 1.04 .61 35.39 chamber dives A0003 Maintain hypobaric chamber...8 % 2 % Hyperbaric Chamber Technician 9 % 3 % 6 % 13 % 8 % Hypobaric Chamber Technician

(NH4)[V1-xIIIVxIV(AsO4)F1-xOx]: A new mixed valence vanadium(III,IV) fluoro-arsenate with ferromagnetic interactions and electronic conductivity

International Nuclear Information System (INIS)

Berrocal, Teresa; Mesa, Jose L.; Pizarro, Jose L.; Bazan, Begona; Ruiz de Larramendi, Idoia; Arriortua, Maria I.; Rojo, Teofilo

2009-01-01

A new mixed valence vanadium(III,IV) fluoro-arsenate compound, with formula (NH 4 )[V 1-x III V x IV (AsO 4 )F 1-x O x ] and KTP structure-type, has been synthesized by mild hydrothermal techniques. The crystal structure has been solved from single crystal X-ray diffraction data in the Pna2 1 orthorhombic space group. The unit-cell parameters are a=13.196(2) A, b=6.628(1) A and c=10.7379(7) A with Z=8. The final R factors were R1=0.0438 and wR2=0.0943 [all data]. The crystal structure consists of a three-dimensional framework formed by (V III,IV O 4 F 2 ) octahedra and (AsO 4 ) 3- tetrahedra arsenate oxoanions. The vanadium(III,IV) cations, from the (V III,IV O 4 F 2 ) octahedra, are linked through the fluorine atoms giving rise to zigzag chains. The ammonium cations are located in the cavities of the structure compensating the anionic charge of the [V 1-x III V x IV (AsO 4 )F 1-x O x ] - inorganic skeleton. The thermal stability limit of the phase is 345 deg. C, around to this temperature the ammonium cation and fluoride anion are lost. The IR spectrum shows the characteristic bands of the (NH 4 ) + and (AsO 4 ) 3- ions. Magnetic measurements indicate the existence of weak ferromagnetic interactions. Electronic conductivity, via a hopping mechanism, occurs with an activation energy of 0.66 eV. - Graphical abstract: Polyhedral view of the crystal structure of (NH 4 )[V III 1-x V IV x (AsO 4 )F 1-x O x

Structural and magnetic properties of the (Ca1-xNax)(Fe2-xTix)O4 solid solution (0 ≤ x ≤ 1)

International Nuclear Information System (INIS)

Zouari, S.; Ranno, L.; Cheikh-Rouhou, A.; Isnard, O.; Wolfers, P.; Bordet, P.; Strobel, P.

2008-01-01

New compounds corresponding to the (Ca 1-x Na x )(Fe 2-x Ti x )O 4 formula with 0 ≤ x ≤ 1 were prepared by solid state reactions at 1100 deg. C in air. A continuous solid solution was found between end members CaFe 2 O 4 and NaFeTiO 4 . The evolution of structural parameters and bonding geometry with composition is discussed in detail. Magnetic measurements show that the antiferromagnetic ordering known in CaFe 2 O 4 is suppressed for all x values investigated (x ≥ 0.2). The absence of crystallographic transition at low temperature was checked by X-ray diffraction down to 10 K. The magnetic structure of CaFe 2 O 4 was redetermined from powder neutron diffraction. Spins on the two iron sites order antiparallel (F z F z spin arrangement), as described previously. The difference in magnetic moments on Fe 1 and Fe 2 sites result in a ferrimagnetic configuration with net moment 2.72μ B at 2 K

Air Traffic Control Officer AFSC 13MX OSSN 2335

National Research Council Canada - National Science Library

1999-01-01

... of AFSC 13MX officers, determine career intentions of AFSC 1 3MX company grade officers, determine job satisfaction levels of officers, and to ensure that members are receiving the right training for their current jobs...

Training Extract, AFSC 113X0B, Flight Engineer, Helicopter Qualified.

Science.gov (United States)

1982-12-01

SUPLRVISE 0JT , ’ 2 CONDuCT OJT 2.13 .3 12.5 to.2 c.R 5.70 f’ :1 IMPLEMENT OJT PROGRAMS 1.87 .3 b.! 4.8 17., 5.73 12v WRITE TEST QUESTIONS 1.76 .0 18.8 24.0...37.4 T.98 SYSTEM STATIC PORTS .𔃽b INSPECT PRIMARY FL1-1 CjNTROL SYSTEW (PFCS! 0,,? L65. 6-.5 t5.3 7C.4 4.4 Z!7 I’SPECT SEATS, SEAT IELTS . OR S40ULDP...0 31.3 21.2 51.3 5.63 5? WRITE COORESPONOENCE 2.34 .0 6.3 20.2 62.6 5.55 4 z ’Sv1EUEUT s AFET T PquGŚWS- 2.32 .a 17.5 17.3 33.08 2 AASH AND

Synthesis of 1-13C-1-indanone and 2-13C-1,2,3,4-tetrahydroquinoline

International Nuclear Information System (INIS)

Pickering, R.E.; Wysocki, M.A.; Eisenbraun, E.J.

1985-01-01

The synthesis of 2- 13 C-1,2,3,4-tetrahydroquinoline (5) via 1- 13 C-3-phenylpropanoic acid (1), 1- 13 C-1-indanone (2), 1- 13 C-1-indanone hydrazone (3) and 2- 13 C-3,4-dihydro-2(1H)-quinolinone (4) proceeded in 78, 96, 95, 79, and 85% individual yields respectively for 1, 2, 3, 4, 5 and 61% overall yield of the latter from 1. (author)

Synthesis and structural properties of n = 1 Ruddlesden-Popper manganites Nd1-xCa1+xMnO4

International Nuclear Information System (INIS)

Nagai, T.; Yamazaki, A.; Kimoto, K.; Matsui, Y.

2008-01-01

Polycrystalline samples of n = 1 Ruddlesden-Popper manganites Nd 1-x Ca 1+x MnO 4 (0.55 ≤ x ≤ 1.00) were synthesized by a solid-state reaction. X-ray diffraction (XRD) and electron diffraction (ED) measurements confirmed that the fundamental crystal structure at room temperature consists of three distorted K 2 NiF 4 -types: orthorhombic Bmab (64) phase in 0.55 ≤ x 1 /acd (142) phase in 0.85 ≤ x ≤ 1.00. Furthermore, in a whole range of 0.55 ≤ x ≤ 0.75, low-temperature magnetic and ED measurements revealed charge-orbital ordering (COO) states, which are accompanied by suppression of magnetization and structural modulations with q = (1 - x)a*. The COO transition temperatures are high with a maximum of ∼330 K at x = 0.67, and then higher than those in non-distorted n = 1 Ruddlesden-Popper manganites. The observations suggest that COO states are much stabilized by the distortion in the fundamental structures

(Nbx, Zr1-x)4AlC3 MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations.

Science.gov (United States)

Lapauw, Thomas; Tytko, Darius; Vanmeensel, Kim; Huang, Shuigen; Choi, Pyuck-Pa; Raabe, Dierk; Caspi, El'ad N; Ozeri, Offir; To Baben, Moritz; Schneider, Jochen M; Lambrinou, Konstantina; Vleugels, Jozef

2016-06-06

The solubility of zirconium (Zr) in the Nb4AlC3 host lattice was investigated by combining the experimental synthesis of (Nbx, Zr1-x)4AlC3 solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH0.89, ZrH2, Al, and C starting powder mixtures. The crystal structure of the produced solid solutions was determined using X-ray and neutron diffraction. The limited Zr solubility (maximum of 18.5% of the Nb content in the host lattice) in Nb4AlC3 observed experimentally is consistent with the calculated minimum in the energy of mixing. The lattice parameters and microstructure were evaluated over the entire solubility range, while the chemical composition of (Nb0.85, Zr0.15)4AlC3 was mapped using atom probe tomography. The hardness, Young's modulus, and fracture toughness at room temperature as well as the high-temperature flexural strength and E-modulus of (Nb0.85, Zr0.15)4AlC3 were investigated and compared to those of pure Nb4AlC3. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m(1/2) for pure Nb4AlC3 to 10.1 ± 0.3 MPa/m(1/2) for the (Nb0.85, Zr0.15)4AlC3 solid solution.

Transformation characteristics of LaV/sub x/Nb/sub 1-x/O4 compounds

International Nuclear Information System (INIS)

Nevitt, M.V.; Aldred, A.T.

1983-06-01

X-ray diffractometry measurements were made as a function of temperature on a series of polycrystalline LaV/sub x/Nb/sub 1-x/O 4 compounds (0 4 compounds that are either candidates or are appropriate models for candidate materials for hosting nuclear-waste ions. Partial substitution of V 5+ on the Nb 5+ site significantly lowers the tetragonal scheelite (I4 1 /a) to monoclinic fergusonite (I2/c) transformation, from 770 0 K in LaNbO 4 to approximately 215 0 K for LaV 0 25 Nb 0 75 O 4 (the solubility limit is close to x = 0.35). The transformation is displacive, of second order, involving two coupled order parameters. Heat capacity measurements on LaV 0 25 Nb 0 75 O 4 showed that the specific heat anamoly at the transformation point is extremely small. It is concluded that the two polymorphic forms of LaV/sub x/Nb/sub 1-x/O 4 have very nearly the same free energies over a substantial range of temperature below the transformation

Structural and electromagnetic characteristics of perovskites in La1–c–xSrc+xMn1–xMe4+xO3 systems (Me=Ge, Ti

Directory of Open Access Journals (Sweden)

Karpasyuk V.

2013-01-01

Full Text Available Experimental data are shown for the influence of substituting quadrivalent ions on the concentration phase transitions “rhombohedral-orthorhombic structure” and “semiconductor-metal” in ceramic manganites of specifically designed system La3+1–c–xSr2+c+xMn3+1–c–xMn4+cMe4+xO3 (c=0.15, 0.17, 0.19; 0.025≤x≤0.125. Regularities in the concentration dependences of unit cell volume, saturation magnetization, Curie point, and resistivity were established. Ge-substituted manganites had essentially higher values of magnetization and Curie temperature than analogous compositions with Ti. The approach to the interpretation of experimental results is discussed in terms of electron configurations and ionic radii of substituents taking into account oxygen nonstoichiometry and cation vacancies.

The Representation of Isometric Operators on C(1)(X)

International Nuclear Information System (INIS)

Li Jingke

2010-01-01

In this paper,we introduce a new norm on C (1) (X), which is induced by a hexagon on R 2 , and prove that every isometric operator on C (1) (X) can be induced by a homeomorphism of X, where X is a connected subset of R.

The structure and piezoelectric properties of (Ca1-xSrx)Bi4Ti4O15 ceramics

International Nuclear Information System (INIS)

Zheng Liaoying; Li Guorong; Zhang Wangzhong; Chen, Daren; Yin Qinrui

2003-01-01

In this paper, the structure and piezoelectric properties of (Ca 1-x Sr x )Bi 4 Ti 4 O 15 ceramics (x=0-1.0) are investigated. The formation of single orthorhombic phase is verified by XRD. The dependence of dielectric and piezoelectric properties on x is also determined. The results show that the excellent properties could be found in the composition of x=0.4. In that composition, d 33 =14.9, T C =677 deg. C and the DC resistivity is decuplely higher than that of BST (SrBi 4 Ti 4 O 15 ) and CBT (CaBi 4 Ti 4 O 15 )

Growth and characterization of polycrystalline Ge{sub 1-x}C{sub x} by reactive pulsed laser deposition

Energy Technology Data Exchange (ETDEWEB)

Hernandez, M.P., E-mail: mayrap@fisica.uh.cu [Instituto de Ciencia y Tecnologia de Materiales, Zapata y G, P.O. Box 10400, Universidad de La Habana (Cuba); Farias, M.H.; Castillon, F.F.; Diaz, Jesus A.; Avalos, M. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Km 107 Carretera Tijuana-Ensenada, C.P. 22800 Ensenada, Baja California (Mexico); Ulloa, L. [Universidad de Guadalajara, (CUCEI) Blvd. Marcelino Garcia Barragan 1421, C.P. 44430 Guadalajara, Jalisco (Mexico); Gallegos, J.A.; Yee-Madeiros, H. [Escuela Superior de Fisica y Matematicas-IPN, UP' ALM' , Colonia Lindavista 07738 (Mexico)

2011-03-15

Polycrystalline thin films of Ge-C were grown on Si (1 1 1) substrates by means of reactive pulsed laser deposition with methane pressure of 100 mTorr. Effect substrate temperature, T{sub s}, on C incorporation to substitutional sites (x) in Ge{sub 1-x}C{sub x} was investigated systematically by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyzes. The substrate temperatures were ranging from 250 to 400 deg. C. The substitutional C composition x in the films by XRD were estimated using the Vegard's linear law. The maximum value of x calculated by XRD was 0.032 for T{sub s} of 350 deg. C. The position of the C 1s peak at 283.4 eV in the XPS spectrum confirmed the germanium-carbon alloys. XRD measurements indicated that x increased with T{sub s} from 250 deg. C to 350 deg. C. At T{sub s} = 400 deg. C, the estimation of x was lowered. However, the C content calculated by XPS analyzes increased with T{sub s} being more these values than substitutional C composition x. XPS and XRD analyzes demonstrate that the remaining C atoms are incorporated to interstitial sites. The use of the T{sub s} plays important roles in the incorporation of substitutional C and in restraining C-cluster formation in the reactive pulsed laser deposition growth of Ge-C/Si.

Cation mobility in NASICON compounds Li1-xZr2-xNbx(PO4)3 and Li1+xZr2-xScx(PO4)3

International Nuclear Information System (INIS)

Stenina, I.A.; Yaroslavtsev, A.B.; Aliev, A.D.; Antipov, E.V.; Velikodnyj, Yu.A.; Rebrov, A.I.

2002-01-01

Compounds featuring NASICON structure of the composition Li 1-x Zr 2-x Nb x (PO 4 ) 3 and Li 1+x Zr 2-x Sc x (PO 4 ) 3 were studied by the method of X-ray phase analysis and 7 Li and 31 P NMR. Structure of Li 0.8 Zr 1.8 Nb 0.2 (PO 4 ) 3 was refined on the basis of X-ray powder pattern. It is shown that cationic disordering in LiZr 2 (PO 4 ) 3 is stimulated both by cationic vacancies and interstitial atoms formation. The cationic vacancies are characterized by a higher mobility. The level of intrinsic disordering was estimated and the Frenkel constant for the compound was calculated [ru

Structural, vibrational and luminescence properties of the (1−x)CaWO{sub 4}−xCdWO{sub 4} system

Energy Technology Data Exchange (ETDEWEB)

Taoufyq, A. [Institut Matériaux Microélectronique et Nanosciences de Provence, Aix Marseille Université, CNRS, Université de Toulon, IM2NP UMR 7334, 83957, La Garde (France); Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Maroc (Morocco); CEA/DEN, Département d’Études des Réacteurs, Laboratoire Dosimétrie Capteurs Instrumentation, CEA Cadarache, 13108, Saint-Paul-lez-Durance (France); Société CESIGMA, Signals and Systems, 1576 Chemin de La Planquette, 83130 La Garde (France); Guinneton, F.; Valmalette, J-C.; Arab, M. [Institut Matériaux Microélectronique et Nanosciences de Provence, Aix Marseille Université, CNRS, Université de Toulon, IM2NP UMR 7334, 83957, La Garde (France); Benlhachemi, A.; Bakiz, B. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Maroc (Morocco); Villain, S. [Institut Matériaux Microélectronique et Nanosciences de Provence, Aix Marseille Université, CNRS, Université de Toulon, IM2NP UMR 7334, 83957, La Garde (France); and others

2014-11-15

In the present work, we investigate the structural, microstructural, vibrational and luminescence properties of the system (1−x)CaWO{sub 4}−xCdWO{sub 4} with x ranging between 0 and 1. Polycrystalline samples were elaborated using a coprecipitation technique followed by thermal treatment at 1000 °C. The samples were then characterized using X-ray diffraction, scanning electron microscopy, Raman spectroscopy and luminescence analyses. X-ray diffraction profile analyses using Rietveld method showed that two kinds of solid solutions Ca{sub 1−x}Cd{sub x}WO{sub 4} having scheelite and wolframite structures, with respectively tetragonal and monoclinic crystal cells, were observed, with a biphasic system for compositions x=0.6 and 0.7. The scanning electron microscopy experiments showed a complex evolution of morphologies and crystallite sizes as x increased. The vibration modes of Raman spectra were characteristic of composition-dependent disordered solid solutions with decreasing wavenumbers as x increased. Luminescence experiments were performed under UV-laser light irradiation. The energies of emission bands increased linearly with cadmium composition x. The integrated intensity of luminescence reached a maximum value for the substituted wolframite phase with composition x=0.8. - Graphical abstract: Luminescence on UV excitation (364.5 nm) of (1−x)CaWO{sub 4−x}CdWO{sub 4} system, elaborated from coprecipitation technique at 1000 °C, with 0<x<1. (a) Experimental emission bands of the Ca{sub 1−x}Cd{sub x}WO{sub 4} polycrystalline phases with 0≤x≤0.5. (b) Maximum of luminescence intensity for the composition x=0.8. - Highlights: • Solid solutions Ca{sub 1−x}Cd{sub x}WO{sub 4} are elaborated from coprecipitation technique. • The structures of two types of solid solutions are refined using Rietveld method. • A maximum of luminescence is obtained for an intermediate composition x=0.8.

Gas phase UV and IR absorption spectra of CxF2x+1CHO (x=1-4)

DEFF Research Database (Denmark)

Hashikawa, Y; Kawasaki, M; Waterland, RL

2004-01-01

The UV and IR spectra of CxF2x+1 CHO (x = 1-4) were investigated using computational and experimental techniques. CxF2x+1CHO (x = 1-4) have broad UV absorption features centered at 300-310 nm. The maximum absorption cross-section increases significantly and shifts slightly to the red with increased...

Enhanced energy storage and pyroelectric properties of highly (100)-oriented (Pb1-x-yLaxCay)Ti1-x/4O3 thin films derived at low temperature

Science.gov (United States)

Zhu, Hanfei; Ma, Hongfang; Zhao, Yuyao

2018-05-01

Highly (100)-oriented (Pb1-x-yLaxCay)Ti1-x/4O3 (x = 0.15, y = 0.05; x = 0.1, y = 0.1; x = 0.05, y = 0.15) thin films were deposited on Pt/Ti/SiO2/Si substrates at a low temperature of 450 °C via a sol-gel route. It was found that all the (Pb1-x-yLaxCay)Ti1-x/4O3 thin films could be completely crystallized and the content of La/Ca showed a significant effect on the electrical properties of films. Among the three films, the (Pb1-x-yLaxCay)Ti1-x/4O3 (x = 0.1, y = 0.1) thin film exhibited the enhanced overall electrical properties, such as a low dielectric loss (tan ⁡ δ energy density (Wre ∼ 15 J/cm3), as well as a large pyroelectric coefficient (p ∼ 190 μC/m2K) and figure of merit (Fd‧∼ 77 μC /m2K). The findings suggest that the fabricated thin films with a good (100) orientation can be an attractive candidate for applications in Si-based energy storage and pyroelectric devices.

Synthesis and electrochemical properties of xLiMn0.9Fe0.1PO4·yLi3V2(PO4)3/C composite cathode materials for lithium–ion batteries

International Nuclear Information System (INIS)

Wu, Ling; Lu, JiaJia; Wei, Gui; Wang, Pengfei; Ding, Hao; Zheng, Junwei; Li, Xiaowei; Zhong, Shengkui

2014-01-01

Highlights: • xLiMn 0.9 Fe 0.1 PO4·yLi 3 V 2 (PO 4 ) 3 /C composites are prepared by a solid-state method. • The addition of Li 3 V 2 (PO 4 ) 3 can improve the properties of LiMn 0.9 Fe 0.1 PO 4 . • Mutual doping occurrs between the LiMn 0.9 Fe 0.1 PO 4 and Li 3 V 2 (PO 4 ) 3 phases. • 5LiMn 0.9 Fe 0.1 PO 4 ·Li 3 V 2 (PO 4 ) 3 /C shows the best electrochemical properties. - Abstract: The xLiMn 0.9 Fe 0.1 PO 4 ·yLi 3 V 2 (PO 4 ) 3 /C (x:y=1:0, 9:1 5:1, 3:1, 1:1 and 0:1) cathode materials are synthesized by a ball–milling and post–calcination method. XRD results reveal that the xLiMn 0.9 Fe 0.1 PO 4 ·yLi 3 V 2 (PO 4 ) 3 /C (x,y≠0) composites are composed of LiMn 0.9 Fe 0.1 PO 4 and Li 3 V 2 (PO 4 ) 3 phases, and no impurities are detected. In LiMn 0.9 Fe 0.1 PO 4 –Li 3 V 2 (PO 4 ) 3 system, most of the manganese, iron and vanadium elements in the raw materials tend to form the two major phases, and only small amounts of V, Mn and Fe as dopants enter into the lattice of LiMn 0.9 Fe 0.1 PO 4 and Li 3 V 2 (PO 4 ) 3 . Electrochemical tests show that the xLiMn 0.9 Fe 0.1 PO 4 ·yLi 3 V 2 (PO 4 ) 3 /C (x,y≠0) composites exhibit much better performance than the single LiMn 0.9 Fe 0.1 PO 4 /C. Among the samples, 5LiMn 0.9 Fe 0.1 PO 4 ·Li 3 V 2 (PO 4 ) 3 /C shows the best electrochemical performance. The sample delivers the specific capacities of 158.1, 140.7 and 100.2 mAh g −1 at 0.05, 1 and 4 C rates in the potential range of 2.5–4.5 V, and exhibits very long and flat discharge plateau around 4.0 V up to 1 C rate. The sample also shows good cycling performance at various C–rates

Synthesis and crystal structure of K{sub 2}NiF{sub 4}-type novel Gd{sub 1+x}Ca{sub 1−x}AlO{sub 4−x}N{sub x} oxynitrides

Energy Technology Data Exchange (ETDEWEB)

Masubuchi, Yuji, E-mail: yuji-mas@eng.hokudai.ac.jp; Hata, Tomoyuki; Motohashi, Teruki; Kikkawa, Shinichi

2014-01-05

Highlights: • Novel gadolinium calcium aluminum oxynitride was prepared by solid state reaction. • Crystal structure of the oxynitride was refined by using synchrotron X-ray diffraction. • Gd{sub 1.2}Ca{sub 0.8}AlO{sub 3.8}N{sub 0.2} has a layered K{sub 2}NiF{sub 4}-type structure with the I4mm space group. • Nitride ions preferentially occupy the apical site of aluminum octahedron. -- Abstract: Novel gadolinium calcium aluminum oxynitrides, Gd{sub 1+x}Ca{sub 1−x}AlO{sub 4−x}N{sub x}, were prepared in x = 0.15–0.25 by the solid state reaction of a nitrogen–rich mixture with AlN as an aluminum source; the mixture was sintered twice at 1500 °C for 5 h under 0.5 MPa of nitrogen gas. Shift in the optical absorption edge was observed in their diffuse reflectance spectra from 4.46 eV for the oxide (x = 0) to 2.94 eV for the oxynitride at x = 0.2. The crystal structure of Gd{sub 1.2}Ca{sub 0.8}AlO{sub 3.8}N{sub 0.2} at x = 0.2 was refined using a synchrotron X-ray diffraction data as a layered K{sub 2}NiF{sub 4}-type structure with the I4mm space group. Longer Al–O/N bond lengths in the oxynitride than those in GdCaAlO{sub 4} suggest that the nitride ions are in the apical site of aluminum polyhedron, similar to those in Nd{sub 2}AlO{sub 3}N.

X(3872), IG(JPC) = 0+(1++), as the χc1(2P) charmonium

Science.gov (United States)

Achasov, N. N.; Rogozina, E. V.

2015-09-01

Contrary to almost standard opinion that the X(3872) resonance is the D∗0D¯0 + c.c. molecule or the qcq¯c¯ four-quark state, we discuss the scenario where the X(3872) resonance is the cc¯ = χc1(2P) charmonium which “sits on” the D∗0D¯0 threshold. We explain the shift of the mass of the X(3872) resonance with respect to the prediction of a potential model for the mass of the χc1(2P) charmonium by the contribution of the virtual D∗D¯ + c.c. intermediate states into the self energy of the X(3872) resonance. This allows us to estimate the coupling constant of the X(7872) resonance with the D∗0D¯0 channel, the branching ratio of the X(3872) → D∗0D¯0 + c.c. decay, and the branching ratio of the X(3872) decay into all non-D∗0D¯0 + c.c. states. We predict a significant number of unknown decays of X(3872) via two gluon: X(3872) →gluon gluon →hadrons. We suggest a physically clear program of experimental researches for verification of our assumption.

Characterization of Carbon Composite LiMn1-xFexPO4 Cathodes

International Nuclear Information System (INIS)

Mishima, Y; Honda, S; Sadamura, H; Nakayama, N; Moriyoshi, C; Kuroiwa, Y

2011-01-01

The discharge capacities of 148 mAh/g (87 % theoretical value) at C/10 and 114mAh/g at 5C between 2.0 and 4.5 V at 25 deg. C were achieved for the carbon composite LiMn 0.8 Fe 0.2 PO 4 (C-LiMn 0.8 Fe 0.2 PO 4 ) cathode material of lithium-ion batteries (LIB), synthesized by a hydrothermal and annealing process. To improve the battery properties, we investigated the characteristics of C-LiMn 1-x Fe x PO 4 powders (x = 0.2 and 1) and the delithiated compound. While it was easier to form the homogeneous carbon layer on the surface of LiFePO 4 particles from the pyrolysis of sucrose, there was a tendency to form the particulate carbon on the LiMn 0.8 Fe 0.2 PO 4 particles. The lattice distortion of Mn 0.8 Fe 0.2 PO 4 was revealed by electron charge density study because of the Jahn-Teller active Mn 3+ ion associated with the phosphate ion. The surface and size of C- LiMn 0.8 Fe 0.2 PO 4 had to be modified because of these phenomena.

U{sub x}Th{sub 1-x}(C{sub 2}O{sub 4}){sub 2} solide characterisation studies

Energy Technology Data Exchange (ETDEWEB)

Carrigan, C.; Taylor, R.; Sarsfield, M. [National Nuclear Laboratory, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom)

2016-07-01

Many advanced reprocessing schemes under development are aimed at co-processing and co-conversion of actinides, unlike current reprocessing plants that produce separate uranium and plutonium products. The most well developed option for the co-conversion stage is probably oxalate co-precipitation, followed by the thermal co-conversion to a mixed oxide product. It is thus envisaged that future processes will avoid separation of plutonium from uranium and instead allow part of the uranium to flow with the plutonium, resulting in co-precipitation as the oxalate, and finally co-conversion to a mixed uranium-plutonium oxide (MOX), which can be fabricated into recycled nuclear fuel for further energy generation. The co-crystallisation of uranium (IV) and plutonium (III) into a single oxalate structure ensures the homogenous distribution of the 2 actinides at the molecular scale. The joint conversion of uranium and plutonium to the oxide form makes it possible to remove the complicated step of blending and grinding the 2 distinct oxide powders, as currently employed for the purposes of MOX fuel fabrication. This concept can also be extended to other actinides, including minor actinides from partitioning processes such as SANEX (Selective Actinide Extraction) and GANEX (Grouped Actinide Extraction) processes or even a thorium containing product from recycle of thorium based fuels. A selection of U{sub x}Th{sub 1-x}(C{sub 2}O{sub 4}){sub 2} solids at varying concentrations of uranium and thorium were prepared by oxalate co-precipitation. Uranium (VI) was conditioned electrochemically at -0.7 V to uranium (IV), in the presence of hydrazine. The reduced uranium (IV) in nitric acid was mixed with thorium nitrate solutions at different concentration ratios with oxalic acid. The mixed tetravalent uranium-thorium oxalate solid products have been characterised by Raman and IR spectroscopies. The influence of thorium substituted into the uranium oxalate structure was evaluated

1,4,8,11-Tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes - synthesis, characterization, and x-ray crystallography of the first tetrakistriazenes to be reported

Energy Technology Data Exchange (ETDEWEB)

Clarke, J.D.; Vaughan, K. [Dept. of Chemistry, Saint Mary' s Univ., Halifax, Nova Scotia (Canada)], E-mail: keith.vaughan@smu.ca; Bertolasi, V. [Dipartimento di Chimica and Centro di Strutturistica Diffrattometrica, Universita' di Ferrara, Ferrara (Italy)

2006-10-15

The reactions of a series of arene diazonium salts with 1,4,8,11-tetraazacyclotetradecane (cyclam) afford the novel compounds, the 1,4,8,11-tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes (1a-1f), which are the first examples of tetrakistriazenes to be reported. The tetrakistriazenes were characterized by IR spectroscopy, proton and carbon NMR, elemental analysis, high resolution electrospray mass spectrometry, and X-ray crystallography. The analogous reaction of a diazonium salt with 1,4,7-triazacyclononane or 1,5,9-triazacyclododecane yields the tristriazenes 2, 3a, and 3b. The structures of compounds 1c and 1e were solved by X-ray crystallography at low temperature (150 K). Both molecules display a conformation where the four phenyltriazenyl groups point alternately upwards and downwards with respect to the mean macrocyclic plane. (author)

1,4,8,11-Tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes - synthesis, characterization, and x-ray crystallography of the first tetrakistriazenes to be reported

International Nuclear Information System (INIS)

Clarke, J.D.; Vaughan, K.; Bertolasi, V.

2006-01-01

The reactions of a series of arene diazonium salts with 1,4,8,11-tetraazacyclotetradecane (cyclam) afford the novel compounds, the 1,4,8,11-tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes (1a-1f), which are the first examples of tetrakistriazenes to be reported. The tetrakistriazenes were characterized by IR spectroscopy, proton and carbon NMR, elemental analysis, high resolution electrospray mass spectrometry, and X-ray crystallography. The analogous reaction of a diazonium salt with 1,4,7-triazacyclononane or 1,5,9-triazacyclododecane yields the tristriazenes 2, 3a, and 3b. The structures of compounds 1c and 1e were solved by X-ray crystallography at low temperature (150 K). Both molecules display a conformation where the four phenyltriazenyl groups point alternately upwards and downwards with respect to the mean macrocyclic plane. (author)

Effect of γ- Ray Irradiation on the Solid Ionic Conductor of (Cul)x(Na3PO4)1-X Materials (x= 0.1 and x= 0.3)

International Nuclear Information System (INIS)

Purwanto, P.

2008-01-01

Study on the effect of γ- ray irradiation on solid state conductor (Cul) x (Na 3 PO 4 ) 1-X have been done. The solid ionic conductor of (Cul) x (Na 3 PO 4 ) 1-X (x= 0.1 and x= 0.3) had been made by mixing Cul with Na 3 PO 4 by formula of (Cul) x (Na 3 PO 4 ) 1-X where x= 0.1 and x= 0.3 then pressed with 48.26 x 10 6 N/m 2 into pellete in diametre 1.5 x 10 - 2 m. The solid ionic conductor was then γ- ray irradiated with dose of 5 to 30 kGy. The result showed that the structure of (Cul) x (Na 3 PO 4 ) 1-X was Cul and Na 3 PO 4 . Crystall lattice strain of (Cul) x (Na 3 PO 4 ) 1-X were measured stable against the influence of radiation. The conductivity measurement of (Cul) x (Na 3 PO 4 ) 1-X was carried out by LCR at the frequence of 0.1 Hz to 100 kHz. The result showed that the conductivities of (Cul) x (Na 3 PO 4 ) 1-X after irradiation were increasing with radiation dose. (author)

EXAFS analysis of cations distribution in structure of Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} nanoparticles obtained by hydrothermal method in aloe vera extract solution

Energy Technology Data Exchange (ETDEWEB)

Wongpratat, Unchista [Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Maensiri, Santi [School of Physics, Institute of Science, Suranaree University, Nakhonratchasima 30000 (Thailand); Swatsitang, Ekaphan, E-mail: ekaphan@kku.ac.th [Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Integrated Nanotechnology Research Center, Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen 40002 Thailand (Thailand)

2016-09-01

Graphical abstract: It is obvious from the M–H curves at room temperature of Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} (x = 0, 0.25, 0.50, 0.75 and 1.0) nanoparticles that partially substitution of the lower Bohr magneton (2 μ{sub B}) and smaller atomic radii (0.55 Å at A site, 0.69 Å at B site) of Ni{sup 2+} ions on the higher Bohr magneton (3 μ{sub B}) and larger atomic radii (0.58 Å at A site, 0.74 Å at B site) of Co{sup 2+} ions can increase the saturation magnetization (M{sub s}) of sample with x = 0.75 to approximately 1.4 times of sample with x = 0, due to the increase of the aspect ratio (surface to volume) of nanoparticles, as a result of particle size decreasing from 37.03 to 12.63 nm. In addition to this, the ferrimagnetic behavior of CoFe{sub 2}O{sub 4} has been changed to superparamagnetic behavior with the dramatic decrease of the coercivity from 1365.60 to 63.15 Oe. - Highlights: • Magnetic behavior of Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} NPs depends on Ni content and size of NPs. • Distribution of Co{sup 2+} and Ni{sup 2+} ions in the structure results in the increase of M{sub s}. • Superparamagnetic behavior is observed with increasing of the aspect ratio. • M{sub s} is increased by a factor 1.4 to a value of 57.57 emu/g in Co{sub 0.25}Ni{sub 0.75}Fe{sub 2}O{sub 4}. • H{sub c} is decreased by a factor 20 to a value of 63.15 Oe in Co{sub 0.25}Ni{sub 0.75}Fe{sub 2}O{sub 4}. - Abstract: Effect of cations distribution upon EXAFS analysis on magnetic properties of Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} (x = 0, 0.25, 0.50, 0.75 and 1.0) nanoparticles prepared by the hydrothermal method in aloe vera extract solution were studied. XRD analysis confirmed a pure phase of cubic spinel ferrite of all samples. Changes in lattice parameter and particle size depended on the Ni content with partial substitution and site distributions of Co{sup 2+}, Ni{sup 2+} ions of different ionic radii at both tetrahedral and octahedral sites in the

Weather, AFSCs 1W0X1/A and 15WX/A

Science.gov (United States)

1998-04-01

their observing tasks. Finally, a small group of Keesler instructors are also included within this job who are teaching in the basic Observer course...CQ CQ Ü 00 00 o ON C- NO 00 «r> m vo vo »-i <-< vo <o c- NO >n PH ’S* a Efl 2 £ a & tu ^ *o £ «a -a .a I3 «.2 g 5 ^3 o 1 fa fa "i s

Hydrogen-induced metallization on Ge(1 1 1) c(2 x 8)

International Nuclear Information System (INIS)

Razado, I.C.; Zhang, H.M.; Hansson, G.V.; Uhrberg, R.I.G.

2006-01-01

We have studied hydrogen adsorption on the Ge(1 1 1) c(2 x 8) surface using scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy (ARPES). We find that atomic hydrogen preferentially adsorbs on rest atom sites. The neighbouring adatoms appear higher in STM images, which clearly indicates a charge transfer from the rest atom states to the adatom states. The surface states near the Fermi-level have been followed by ARPES as function of H exposure. Initially, there is strong emission from the rest atom states but no emission at the Fermi-level which confirms the semiconducting character of the c(2 x 8) surface. With increasing H exposure a structure develops in the close vicinity of the Fermi-level. The energy position clearly indicates a metallic character of the H-adsorbed surface. Since the only change in the STM images is the increased brightness of the adatoms neighbouring a H-terminated rest atom, we identify the emission at the Fermi-level with these adatom states

Genotype X/C recombinant (putative genotype I) of hepatitis B virus is rare in Hanoi, Vietnam--genotypes B4 and C1 predominate.

Science.gov (United States)

Phung, Thi Bich Thuy; Alestig, Erik; Nguyen, Thanh Liem; Hannoun, Charles; Lindh, Magnus

2010-08-01

There are eight known genotypes of hepatitis B virus, A-H, and several subgenotypes, with rather well-defined geographic distributions. HBV genotypes were evaluated in 153 serum samples from Hanoi, Vietnam. Of the 87 samples that could be genotyped, genotype B was found in 67 (77%) and genotype C in 19 (22%). All genotype C strains were of subgenotype C1, and the majority of genotype B strains were B4, while a few were B2. The genotype X/C recombinant strain, identified previously in Swedish patients of indigenous Vietnamese origin, was found in one sample. This variant, proposed to be classified as genotype I, has been found recently also by others in Vietnam and Laos. The current study indicates that the genotype X/C recombinant may represent approximately 1% of the HBV strains circulating in Vietnam. (c) 2010 Wiley-Liss, Inc.

Feature Fusion Based Road Extraction for HJ-1-C SAR Image

Directory of Open Access Journals (Sweden)

Lu Ping-ping

2014-06-01

Full Text Available Road network extraction in SAR images is one of the key tasks of military and civilian technologies. To solve the issues of road extraction of HJ-1-C SAR images, a road extraction algorithm is proposed based on the integration of ratio and directional information. Due to the characteristic narrow dynamic range and low signal to noise ratio of HJ-1-C SAR images, a nonlinear quantization and an image filtering method based on a multi-scale autoregressive model are proposed here. A road extraction algorithm based on information fusion, which considers ratio and direction information, is also proposed. By processing Radon transformation, main road directions can be extracted. Cross interferences can be suppressed, and the road continuity can then be improved by the main direction alignment and secondary road extraction. The HJ-1-C SAR image acquired in Wuhan, China was used to evaluate the proposed method. The experimental results show good performance with correctness (80.5% and quality (70.1% when applied to a SAR image with complex content.

Magnetic phase diagram of Co(Cr1-xA lx) 2O4 (x = 0.0-1.0)

Science.gov (United States)

Padam, R.; Sarkar, T.; Mathieu, R.; Thota, S.; Pal, D.

2017-08-01

We report the role of Al substitution in the magnetic properties of spinel CoCr2O4 by means of temperature dependent dc and ac magnetization and heat capacity measurements. Various compositions (0.0 ≤ x ≤ 1.0) of polycrystalline Co(Cr1-xAlx)2O4 samples have been prepared by sol-gel processing and their crystal structure was investigated by X-ray diffraction which was found to crystallize in the normal cubic spinel structure. For x ≤ 0.1, the system exhibits multiple magnetic orderings (long range ferrimagnetic ordering TC, spin-spiral ordering TS, and lock-in transition TL), similar to that of the parent compound, CoCr2O4. However, all the compositions between x = 0.1 and 0.5 exhibit long range ferrimagnetic ordering below TC and also a short range order at low temperature. Spin-glass like ordering was noticed between x = 0.6 and 0.8 due to the diluted B-site occupancy, whereas the end compound CoAl2O4 (x = 1.0) shows antiferromagnetic behavior. On the basis of these results, we propose a magnetic phase diagram for the Co(Cr1-xAlx)2O4 series as a function of the Al content (x) and measuring temperature (T).

Equilibrium studies on butane-1,4-diamine extraction with 4-nonylphenol

NARCIS (Netherlands)

Krzyzaniak, Agnieszka; Tansaz, Ashkan; Schuur, Boelo; de Haan, André B.

2014-01-01

BACKGROUND: The extraction of butane-1,4-diamine (BDA) from aqueous solutions with undiluted 4-nonylphenol (4NP) has been studied at three temperatures (298 K, 310 K and 323 K) in a batch system. A reactive extraction model based on mass action law was applied to describe the experimental data.

Synthesis and structural characterization of Al4SiC4-homeotypic aluminum silicon oxycarbide, [Al4.4Si0.6][O1.0C2.0]C

International Nuclear Information System (INIS)

Kaga, Motoaki; Iwata, Tomoyuki; Nakano, Hiromi; Fukuda, Koichiro

2010-01-01

A new quaternary layered oxycarbide, [Al 4.39(5) Si 0.61(5) ] Σ5 [O 1.00(2) C 2.00(2) ] Σ3 C, has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX). The title compound was found to be hexagonal with space group P6 3 /mmc, Z=2, and unit-cell dimensions a=0.32783(1) nm, c=2.16674(7) nm and V=0.20167(1) nm 3 . The atom ratios Al:Si were determined by EDX, and the initial structural model was derived by the direct methods. The final structural model showed the positional disordering of one of the three types of Al/Si sites. The maximum-entropy methods-based pattern fitting (MPF) method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from the MPF were R wp =3.73% (S=1.20), R p =2.94%, R B =1.04% and R F =0.81%. The crystal was an inversion twin. Each twin-related individual was isostructural with Al 4 SiC 4 (space group P6 3 mc, Z=2). - Graphical abstract: A new oxycarbide discovered in the Al-Si-O-C system, Al 4 SiC 4 -homeotypic [Al 4.4 Si 0.6 ][O 1.0 C 2.0 ]C. The crystal is an inversion twin, and hence the structure is represented by a split-atom model. The three-dimensional electron density distributions are determined by the maximum-entropy methods-based pattern fitting, being consistent with the disordered structural model.

26 CFR 1.381(c)(4)-1 - Method of accounting.

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 4 2010-04-01 2010-04-01 false Method of accounting. 1.381(c)(4)-1 Section 1... TAX (CONTINUED) INCOME TAXES Insolvency Reorganizations § 1.381(c)(4)-1 Method of accounting. (a... section 381(a) applies, an acquiring corporation shall use the same method of accounting used by the...

26 CFR 1.381(c)(18)-1 - Depletion on extraction of ores or minerals from the waste or residue of prior mining.

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 4 2010-04-01 2010-04-01 false Depletion on extraction of ores or minerals from... Reorganizations § 1.381(c)(18)-1 Depletion on extraction of ores or minerals from the waste or residue of prior... transfer, to an allowance for depletion under section 611 in respect of ores or minerals extracted from...

One-pot solvothermal synthesis of Co{sub 1−x}Mn{sub x}C{sub 2}O{sub 4} and their application as anode materials for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Ang, Wei An Elijah [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Energy Research Institute @ NTU (ERI-N), Nanyang Technological University, 50 Nanyang Drive, Singapore 637553 (Singapore); Cheah, Yan Ling; Wong, Chui Ling [Energy Research Institute @ NTU (ERI-N), Nanyang Technological University, 50 Nanyang Drive, Singapore 637553 (Singapore); Hng, Huey Hoon [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Madhavi, Srinivasan, E-mail: madhavi@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Energy Research Institute @ NTU (ERI-N), Nanyang Technological University, 50 Nanyang Drive, Singapore 637553 (Singapore); TUM CREATE Center for Electromobility, 1 CREATE Way, #10-02 CREATE Tower, Singapore 138602 (Singapore)

2015-07-25

Graphical abstract: MnC{sub 2}O{sub 4} exhibited good cycling stability while CoC{sub 2}O{sub 4} showed severe capacity fading phenomenon after 40 cycles. Notably, mixed solid solution having Co{sub 0.52}Mn{sub 0.48}C{sub 2}O{sub 4} composition improved the specific reversible discharge capacity to a stable value of ∼1000 mA h g{sup −1} (1 C-rate). - Highlights: • Mixed metal oxalates are synthesized by solvothermal method for the first time. • We control morphologies by varying solvent mixtures and transition metal types. • Li/Co{sub 0.52}Mn{sub 0.48}C{sub 2}O{sub 4} is the best capacity and rate-performing cell in this study. • The positive synergistic effect is attributed to optimal Co:Mn mole ratio. • Properties of Co give high capacity values while Mn give good cycling stability. - Abstract: A facile one-pot solvothermal route has been developed to synthesize phase pure M{sub x}C{sub 2}O{sub 4}⋅2H{sub 2}O (M = Mn, Co; 0 < x ⩽ 1) microstructures without employing any hard/soft template and their electrochemical performance in lithium-ion batteries has been systematically investigated. Morphology, microstructure and composition of the synthesized materials are characterized by field emission-scanning electron microscopy, X-ray diffraction and energy-dispersive X-ray spectroscopy. Anhydrous micron-sized MnC{sub 2}O{sub 4} and CoC{sub 2}O{sub 4} exhibits specific reversible discharge capacity of ∼800 and 950 mA h g{sup −1} respectively, at 1 C-rate. MnC{sub 2}O{sub 4} exhibited good cycling stability while CoC{sub 2}O{sub 4} showed severe capacity fading phenomenon after 40 cycles, thereafter attaining 400–600 mA h g{sup −1} for all C-rates. Interestingly, mixed solid solution having Co{sub 0.52}Mn{sub 0.48}C{sub 2}O{sub 4} composition improved the specific reversible discharge capacity to a stable value of ∼1000 mA h g{sup −1} (1 C-rate), which is one of the highest reported values for such oxalates. The cycling stability of this

AFSC Laboratory Management Information Requirements Project

National Research Council Canada - National Science Library

1982-01-01

This document was developed under the auspices of the Laboratory IRM (LIRM) Management Working Group in response to AFSC Program Directive 0008-81-1, Management Information Requirement Project (23 February 1981...

New Insights into Mn1−xZnxFe2O4 via Fabricating Magnetic Photocatalyst Material BiVO4/Mn1−xZnxFe2O4

Directory of Open Access Journals (Sweden)

Taiping Xie

2018-02-01

Full Text Available BiVO4/Mn1−xZnxFe2O4 was prepared by the impregnation roasting method. XRD (X-ray Diffractometer tests showed that the prepared BiVO4 is monoclinic crystal, and the introduction of Mn1−xZnxFe2O4 does not change the crystal structure of BiVO4. The introduction of a soft-magnetic material, Mn1−xZnxFe2O4, was beneficial to the composite photocatalyst’s separation from the liquid solution using an extra magnet after use. UV-vis spectra analysis indicated that Mn1−xZnxFe2O4 enhanced the absorption intensity of visible light for BiVO4. EIS (electrochemical impedance spectroscopy investigation revealed that the introduction of Mn1−xZnxFe2O4 enhanced the conductivity of BiVO4, further decreasing its electron transfer impedance. The photocatalytic efficiency of BiVO4/Mn1−xZnxFe2O4 was higher than that of pure BiVO4. In other words, Mn1−xZnxFe2O4 could enhance the photocatalytic reaction rate.

Transport properties and spin correlations of La1.85-xSr0.15+xCu1-xFexO4

DEFF Research Database (Denmark)

Xu, G.J.; Pu, Q.R.; Liu, B.

2004-01-01

A series of double-doped La1.85-xSr0.15+xCu1-xFexO4 (0less than or equal toxless than or equal to1) ceramic samples were prepared by the solid-state reaction method. The structure, transport properties, and spin correlations were studied by means of x-ray diffraction, resistivity, thermoelectric...

Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1-C4 Fluorinated Hydrocarbons: Fluorocarbon Group Additivity.

Science.gov (United States)

Wang, Heng; Castillo, Álvaro; Bozzelli, Joseph W

2015-07-23

Enthalpies of formation for 14 C2–C4 fluorinated hydrocarbons were calculated with nine popular ab initio and density functional theory methods: B3LYP, CBS-QB3, CBS-APNO, M06, M06-2X, ωB97X, G4, G4(MP2)-6X, and W1U via several series of isodesmic reactions. The recommended ideal gas phase ΔHf298° (kcal mol(–1)) values calculated in this study are the following: −65.4 for CH3CH2F; −70.2 for CH3CH2CH2F; −75.3 for CH3CHFCH3; −75.2 for CH3CH2CH2CH2F; −80.3 for CH3CHFCH2CH3; −108.1 for CH2F2; −120.9 for CH3CHF2; −125.8 for CH3CH2CHF2; −133.3 for CH3CF2CH3; −166.7 for CHF3; −180.5 for CH3CF3; −185.5 for CH3CH2CF3; −223.2 for CF4; and −85.8 for (CH3)3CF. Entropies (S298° in cal mol(–1) K(–1)) were estimated using B3LYP/6-31+G(d,p) computed frequencies and geometries. Rotational barriers were determined and hindered internal rotational contributions for S298°, and Cp(T) were calculated using the rigid rotor harmonic oscillator approximation, with direct integration over energy levels of the intramolecular rotation potential energy curve. Thermochemical properties for the fluorinated carbon groups C/C/F/H2, C/C2/F/H, C/C/F2/H, C/C2/F2, and C/C/F3 were derived from the above target fluorocarbons. Previously published enthalpies and groups for 1,2-difluoroethane, 1,1,2-trifluoroethane, 1,1,2,2-tetrafluoroethane, 1,1,1,2-tetrafluoroethane, 1,1,1,2,2-pentafluoroethane, 2-fluoro-2-methylpropane that were previously determined via work reaction schemes are revised using updated reference species values. Standard deviations are compared for the calculation methods.

A computational study on the energetics and mechanisms for the dissociative adsorption of SiH{sub x}(x = 1–4) on W(1 1 1) surface

Energy Technology Data Exchange (ETDEWEB)

Lin, Y.H.; Raghunath, P.; Lin, M.C., E-mail: chemmcl@emory.edu

2016-01-30

Graphical abstract: - Highlights: • Behavior of the SiH{sub x} species on the W surface under cat-CVD conditions. • The adsorption and dissociation mechanisms of SiH{sub x}(x = 1–4) species on W(1 1 1) surface. • H-migration to its neighboring W atoms is more favorable compared to H{sub 2} elimination. - Abstract: The adsorption and dissociation mechanisms of SiH{sub x}(x = 1–4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH{sub 4} on a top site, T-SiH{sub 4(a)}, it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH{sub 3}, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH{sub 2}, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiH{sub x} species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiH{sub x(a)} to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiH{sub x−1} within ± 1 kcal/mol.

Glassy behavior in the layered perovskites La{sub 2-x}Sr{sub x}CoO{sub 4}(1.1{<=}x{<=}1.3)

Energy Technology Data Exchange (ETDEWEB)

Mukherjee, S., E-mail: sanseb68@yahoo.co.in [Department of Physics, University of Burdwan, Burdwan 713104 (India); Mukherjee, Rajarshi [Department .of Physics, University of Burdwan, Burdwan 713104 (India); Banerjee, S.; Ranganathan, R. [Saha Institute of Nuclear Physics, Kolkata 700 064 (India); Kumar, Uday [Department of Physical Sciences, Indian Institute of Science Education and Research - Kolkata, Mohonpur 741252 (India)

2012-03-15

The glassy behavior of the phase segregated state in the layered cobaltite La{sub 2-x}Sr{sub x}CoO{sub 4} has been studied. The role of the inter-cluster interactions as well as the disordered spins at the paramagnetic-ferromagnetic interface, behind the observed glassy behavior have been investigated. The disordered spins at the interface appear to be strongly pinned, and they contribute little to the observed glassy behavior. On the other hand, the inter-cluster interactions play the key role. Both the Co{sup 4+} and Co{sup 3+} ions are in the intermediate spin state. - Highlights: Black-Right-Pointing-Pointer Phase segregated state of cobaltite La{sub 2-x}Sr{sub x}CoO{sub 4} for (1.1{<=}x{<=}1.3) to find the origin of the observed glassy behavior. Black-Right-Pointing-Pointer Result of the frequency dependent ac susceptibility measurement excludes the possibility of any spin glass phase, hints strong inter-cluster interactions. Black-Right-Pointing-Pointer Relaxation experiments confirm the system to be a collection of clusters with two preferred sizes. Black-Right-Pointing-Pointer The glassy behavior originates from strong inter-cluster interactions.

Synthesis of dimethyl-1,1 guanylguanidine-{sup 14}C-2,4 (dimethyl-1-1 biguanide) hydrochloride; Synthese du chlorhydrate de dimethyl-1,1 guanylguanidine {sup 14}C-2,4 (dimethyl-1-1 biguanide)

Energy Technology Data Exchange (ETDEWEB)

Herbert, M; Pichat, L [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

1961-07-01

A description of the synthesis of dimethyl-1,1 guanylguanidine-{sup 14}C-2,4 hydrochloride passing through the {sup 14}C{sub 2} dicyandiamide. The overall yield with respect to Ba{sup 14}CO{sub 3} is 38 per cent. (author) [French] Description de la synthese du chlorhydrate de dimethyl-1,1 guanylguanidine {sup 14}C-2,4 par l'intermediaire de la dicyandiamide {sup 14}C{sub 2}. Le rendement global par rapport a {sup 14}CO{sub 3}Ba est de 38 pour cent. (auteur)

Chemokine (C-X-C) ligand 1 (CXCL1) protein expression is increased in aggressive bladder cancers

International Nuclear Information System (INIS)

Miyake, Makito; Lawton, Adrienne; Goodison, Steve; Urquidi, Virginia; Gomes-Giacoia, Evan; Zhang, Ge; Ross, Shanti; Kim, Jeongsoon; Rosser, Charles J

2013-01-01

Chemokines, including chemokine (C-X-C motif) ligand 1 (CXCL1), may regulate tumor epithelial-stromal interactions that facilitate tumor growth and invasion. Studies have linked CXCL1 expression to gastric, colon and skin cancers, but limited studies to date have described CXCL1 protein expression in human bladder cancer (BCa). CXCL1 protein expression was examined in 152 bladder tissue specimens (142 BCa) by immunohistochemical staining. The expression of CXCL1 was scored by assigning a combined score based on the proportion of cells staining and intensity of staining. CXCL1 expression patterns were correlated with clinicopathological features and follow-up data. CXCL1 protein expression was present in cancerous tissues, but was entirely absent in benign tissue. CXCL1 combined immunostaining score was significantly higher in high-grade tumors relative to low-grade tumors (p = 0.012). Similarly, CXCL1 combined immunostaining score was higher in high stage tumors (T2-T4) than in low stage tumors (Ta-T1) (p < 0.0001). An increase in the combined immunostaining score of CXCL1 was also associated with reduced disease-specific survival. To date, this is the largest study describing increased CXCL1 protein expression in more aggressive phenotypes in human BCa. Further studies are warranted to define the role CXCL1 plays in bladder carcinogenesis and progression

Synthesis and electrochemical properties of Ti4+ doped Li3-xFe2-xTix(PO4)3/C cathode materials

International Nuclear Information System (INIS)

Liu Zhanqiang; Huang Fuqiang; Sun Junkang

2011-01-01

Highlights: → Li 3-x Fe 2-x Ti x (PO 4 ) 3 /C composite cathodes were prepared by ball-milling method. Ti-doping can improve the electrochemical property of Li 3 Fe 2 (PO 4 ) 3 . → The optimized doping level was found to be x = 0.2. → The second phase of LiTi 2 (PO 4 ) 3 will emerge if the doping level higher than 0.2. - Abstract: Li 3-x Fe 2-x Ti x (PO 4 ) 3 /C (x = 0-0.4) cathodes designed with Fe doped by Ti was studied. Both Li 3 Fe 2 (PO 4 ) 3 /C (x = 0) and Li 2.8 Fe 1.8 Ti 0.2 (PO 4 ) 3 /C (x = 0.2) possess two plateau potentials of Fe 3+ /Fe 2+ couple (around 2.8 V and 2.7 V vs. Li + /Li) upon discharge observed from galvanostatic charge/discharge and cyclic voltammetry. Li 2.8 Fe 1.8 Ti 0.2 (PO 4 ) 3 /C has higher reversibility and better capacity retention than that of the undoped Li 3 Fe 2 (PO 4 ) 3 /C. A much higher specific capacity of 122.3 mAh/g was obtained at C/20 in the first cycle, approaching the theoretical capacity of 128 mAh/g, and a capacity of 100.1 mAh/g was held at C/2 after the 20th cycle.

SU(n)c x SU(m)L x U(1)N generalizations of the standard model

International Nuclear Information System (INIS)

Pleitez, V.

1993-01-01

Generalizations of the Standard Model which are based on the gauge symmetry SU(n) c x SU(m) L x U(1) N are considered. Although the most interesting possibility occurs when n = 3, it will be considered also the cases n = 4,5, both with m = 3,4. It will also be given possible grand unification scenarios. (author). 18 refs

Magnetic properties of CexY1-xPt compared to CexLa1-xPt ones

Science.gov (United States)

Očko, M.; Zadro, K.; Drobac, Đ.; Aviani, I.; Salamon, K.; Mixon, D.; Bauer, E. D.; Sarrao, J. L.

2018-04-01

We have investigated the magnetic properties of the CexY1-xPt Kondo ferromagnetic alloy system in the temperature range from 1.8 K to 320 K. The results of these investigations can be summarized as follows: dc-susceptibility can be described by the Curie-Weiss law at higher temperatures down to about 100 K, but also at low temperatures above the ferromagnetic phase transition. At higher temperatures, the extracted Curie-Weiss parameter, θp, is negative and at low temperature θC is positive. The extracted effective magnetic moment above 100 K increases with the Ce content up to almost the theoretical value of the isolated Ce3+ ion, μ = 2.54 μB, for CePt. This suggests an increase of the hybridization with decreasing Ce content, or said equivalently, it means that the increase of the Kondo interaction diminishes effective magnetic moment. These observations confirm the main conclusions inferred from an earlier transport properties investigation of this alloy system. The corresponding θC differs within 1 K from the Curie temperature, TC, which is determined by the resistivity measurements. The most intriguing result of the investigation of CexY1-xPt is the linear concentration dependence of TC vs. x and, moreover, it is the same as in CexLa1-xPt although in the former system the hybridization diminishes considerably the effective magnetic moment per Ce ion, while in the latter system, hybridization is minor and independent of x. We offer the explanations of these intriguing experimental results.

Planar Large Core Polymer Optical 1x2 and 1x4 Splitters Connectable to Plastic Optical Fiber

Directory of Open Access Journals (Sweden)

V. Prajzler

2013-09-01

Full Text Available We report about new approach to design and fabricate multimode 1 x 2 and 1 x 4 Y optical planar power splitter suitable for low-cost short distance optical network. The splitters were designed by beam propagation method using BeamPROP™ software. The dimensions of the splitters were optimized for connecting standard plastic optical fibre with 1 mm diameter. New Norland Optical Adhesives 1625 glues were used as optical waveguide layers and the design structures were completed by CNC engraving on poly(methyl methacrylate substrate. The best parameters that were achieved with 1x2 splitter were insertion loss around 4.1dB at 650 nm and the coupling ratio 52:48; the best one of the 1x4 splitters had at 650 nm insertion loss around 17.6 dB.

REAuAl{sub 4}Ge{sub 2} and REAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (RE=rare earth element): Quaternary intermetallics grown in liquid aluminum

Energy Technology Data Exchange (ETDEWEB)

Xiuni, Wu [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States); Kanatzidis, Mercouri G [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)

2005-11-15

The two families of intermetallic phases REAuAl{sub 4}Ge{sub 2} (1) (RE=Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Er, Tm and Yb) and REAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (2) (x=0.4) (RE=Ce and Eu) were obtained by the reactive combination of RE, Au and Ge in liquid aluminum. The structure of (1) adopts the space group R-3m (CeAuAl{sub 4}Ge{sub 2}, a=4.2384(7)A, c=31.613(7)A; NdAuAl{sub 4}Ge{sub 2}, a=4.2258(4)A, c=31.359(5)A; GdAuAl{sub 4}Ge{sub 2}, a=4.2123(6)A, c=30.994(6)A; ErAuAl{sub 4}Ge{sub 2}, a=4.2074(4)A, c=30.717(5)A). The structure of (2) adopts the tetragonal space group P4/mmm with lattice parameters: a=4.3134(8)A, c=8.371(3)A for EuAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (x=0.4). Both structure types present slabs of ''AuAl{sub 4}Ge{sub 2}'' or ''AuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2}'' stacking along the c-axis with layers of RE atoms in between. Magnetic susceptibility measurements indicate that the RE atoms (except for Ce and Eu) possess magnetic moments consistent with +3 species. The Ce atoms in CeAuAl{sub 4}Ge{sub 2} and CeAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (x=0.4) appear to be in a mixed +3/+4 valence state; DyAuAl{sub 4}Ge{sub 2} undergoes an antiferromagnetic transition at 11K and below this temperature exhibits metamagnetic behavior. The Eu atoms in EuAuAl{sub 4}(Au{sub x}Ge{sub 1-x}){sub 2} (x=0.4) appear to be in a 2+ oxidation state.

1.5 GeV/c multiturn shaving extraction and its transport line for the Brookhaven AGS

International Nuclear Information System (INIS)

Weng, W.T.; Blumberg, L.N.; Gill, E.; Soukas, A.; Witkover, R.L.; Egleman, E.; LoSecco, J.; Sulak, L.

1979-01-01

A system for fast shaving extraction at 1.5 GeV/c is implemented to extract the circulating beam in five turns. A numerical simulation is first carried out to determine the emittance and the rf structure of the extracted beam. This is followed by several machine study sessions which establish the optimal extraction configuration, confirm the emittance, and modify the transport line for low energy beam. Finally, a one-week run for the Neutrino Oscillation experiment demonstrates that the system is very stable and capable of delivering 7.5 x 10 12 p/sec with 70% extraction efficiency and 95% transport efficiency

New view on In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y}alloys

Energy Technology Data Exchange (ETDEWEB)

Elyukhin, Vyacheslav A. [Departamento de Ingenieria Electrica, Centro de Investigacion y de Estudios Avanzados del Instituto Politecnico Nacional, Avenida Instituto Politecnico Nacional 2508, 07360, Mexico (Mexico)

2015-12-15

Semiconductors with isoelectronic centers are actively studied to fabricate arrays of identical single photon emitters. Self-assembling of 4N10In and 1N4In clusters in GaAs-rich In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y} is represented. All or almost all In atoms are in 4N10In clusters from 0 to 800 C in In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y} with x = 1 x 10{sup -4}, y = 1 x 10{sup -4} and x = 1 x 10{sup -5}, y = 1 x 10{sup -5}. All or almost all nitrogen atoms are in 1N4In clusters if x = 0.01, y = 1 x 10{sup -4} and x = 1 x 10{sup -3}, y = 1 x 10{sup -6}. There are both types of clusters in alloys with x = 5 x 10{sup -5}, y = 5 x 10{sup -7}; x = 2 x 10{sup -4}, y = 2 x 10{sup -6}; x = 1 x 10{sup -4}, y = 1 x 10{sup -5} and x = 2 x 10{sup -3}, y = 2 x 10{sup -4} and portions of nitrogen atoms in clusters depend on the composition and temperature. Thus, In{sub x}Ga{sub 1-x}N{sub y}As{sub 1-y} are promising semiconductors to obtain arrays of identical isoelectronic clusters with the desirable density. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Pressure effects in the giant magnetocaloric compounds Gd5(SixGe1-x)4

International Nuclear Information System (INIS)

Morellon, L; Arnold, Z; Algarabel, P A; Magen, C; Ibarra, M R; Skorokhod, Y

2004-01-01

We report a study of the effect of hydrostatic pressure up to 9 kbar on selected compounds of the Gd 5 (Si x Ge 1-x ) 4 series (x = 0.8, 0.45, 0.1) by means of ac magnetic susceptibility, compressibility, and linear thermal expansion measurements. The pressure-induced increase of the transition temperatures at the second-order boundaries of the phase diagram is rather moderate: dT C /dP ∼ +0.3Kk-bar -1 (x = 0.8) and dT N /P ∼+0.7Kkbar -1 (x = 0.1). This effect is stronger in the 0 C /dP ∼ +3 Kk-bar -1 (x = 0.45,0.1), indicating that the ferromagnetic ordering can be simultaneously driven through a pressure-induced structural transformation. The values of d lnT C /d lnV calculated with the use of the measured value of compressibility (k ∼1.8 M-bar -1 ) are significantly lower than those estimated from the concentration dependence of the lattice cell volume, thus demonstrating that the dependence of the transition temperatures upon changing the Si/Ge ratio across the series cannot be explained by a pure volume effect

The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)

International Nuclear Information System (INIS)

Zhang, Shiyan; Mei, Dajiang; Du, Xin; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong; Xu, Jingli

2016-01-01

Ag 1−x Ga 1−x Si x Se 2 solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe 4 has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe 4 is composed of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ga) tetrahedra. AgGaSiSe 4 is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe 4 and the value is 0.33 eV larger than that of Ag 3 Ga 3 SiSe 8 (2.30 eV). - Graphical abstract: The Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe 4 was synthesized for the first time. AgGaSiSe 4 crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe 4 . • AgGaSiSe 4 crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe 4 is enlarged compared with Ag 3 Ga 3 SiSe 8 .

Training Extract AFSC 51XX Computer Systems Officer AFPT 90-51X-468.

Science.gov (United States)

1983-06-01

14 0 L53 MONITOR COMPLIANCE WITH TEST PR0CEDURES. PLANS OR CITERIA *30 9.T 2.2 ,4 .0 7 865 REVIEW TEST ANALYSIS REPORTS OR TEST ANALYSES .39 2.0 2.2...EL SSTIS DEVELOPMENT ’Fr:cEOS FCPTCS PAGE U A0MCIAT SAFOC IA ANDOLPA £r B TD ’C L T LT LT LT LT A a C E I rtI TITLES Cr. (mI ( 1 (M M) 42’ ENSUQE...TEST16 2. .01 3:7 5.I:3 1 7.1 3.9 3 .1 3.1 OCTERIE .METER TD SU: OPSLEASE AOP EQUIPMENT 1. 21.3 262 2. 3 a1. ZAk T1.1 I . -~ C38o EVALUATE VE N DOp OR

X-ray structural studies and physicochemical characterization of (E)-6-(3,4-dimethoxyphenyl)-1-ethyl-4-mesitylimino-3-methyl- 3,4-dihydro-2(1H)-pyrimidinone polymorphs.

Science.gov (United States)

Miyamae, A; Kitamura, S; Tada, T; Koda, S; Yasuda, T

1991-10-01

The polymorphism of (E)-6-(3,4-dimethoxyphenyl)-1-ethyl-4-mesitylimino-3-methyl-3,4-di hydro- 2(1 H)-pyrimidinone (FK664; 1) was characterized by using X-ray powder diffractometry, differential scanning calorimetry (DSC), and IR spectroscopy. Structures of two polymorphs (Forms A and B) were determined by X-ray crystallographic analysis. Form A crystallized in the monoclinic space group P2(1)/c, with a = 13.504(2), b = 6.733(1), c = 24.910(8) A, beta = 96.55(4) degrees, z = 4, and dcal = 1.203 g/cm3, while Form B crystallized in the same space group, with a = 8.067(2), b = 15.128(4), c = 18.657(4) A, beta = 102.34(3) degrees, z = 4, and dcal = 1.216 g/cm3. The conformational features of 1 were very similar between the two polymorphs. Compound 1, in both crystal forms, took an energetically reasonable conformation in three rigid planes, such as 2-pyrimidone, trimethylphenyl, and dimethoxyphenyl rings, but the molecules were packed in different ways between the two polymorphs. In the Form B crystal, a short contact was possible, to form pi-pi interactions between two dimethoxyphenyl groups related with the inversion center in the crystal lattice; this interaction seems to contribute to stabilizing the crystal structure of Form B. Both Forms A and B showed only one endothermic peak due to fusion at 115 and 140 degrees C, respectively, on the DSC thermograms; therefore, it is suggested that there are no transition points between the two polymorphs. The heats of fusion obtained from the DSC thermograms were 33.2(2) kJ/mol for Form A and 36.8(1) kJ/mol for Form B.(ABSTRACT TRUNCATED AT 250 WORDS)

Dielectric studies of Co3-xMnxO4 (x=0.1-1.0) cubic spinel multiferroic

Science.gov (United States)

Meena, P. L.; Kumar, Ravi; Prajapat, C. L.; Sreenivas, K.; Gupta, Vinay

2009-07-01

A series of Co3-xMnxO4 (x =0.1-1.0) multiferroic cubic spinel ceramics were prepared to study the effect of Mn substitution at Co site on the crystal structures and dielectric properties. No significant change in the structural symmetry was observed with increasing x up to 1.0. A linear increase in lattice parameter with x is attributed to the substitution of Co3+ by Mn3+ (large ionic radii) at the octahedral sites. An antiferromagnetic-type ordering of Co3O4 changes to ferrimagnetic-type order after incorporation of Mn. The effect of Mn substitution on the dielectric constant and loss tangent was studied over a wide range of frequency (75 kHz-5 MHz) and temperature of 150-450 K. The measured value of room temperature ac conductivity at 1.0 MHz was found to increase from 2.0×10-6 to 4.4×10-4 Ω-1 cm-1 and follows power law (σac=Aωs) behavior. The dielectric constant ɛ'(ω) shows a weak frequency dispersion and small temperature dependence below 250 K for all ceramic samples. However, a strong temperature and frequency dependence on ɛ'(ω) was observed at higher temperature (>250 K). The temperature dependent ɛ'(ω) data show the existence of room temperature ferroelectricity in all prepared samples.

Preparation of Ba1-xSrxWO4 and Ba1-xCaxWO4 films on tungsten plate by mechanically assisted solution reaction at room temperature

International Nuclear Information System (INIS)

Rangappa, Dinesh; Fujiwara, Takeshi; Watanabe, Tomoaki; Yoshimura, Masahiro

2008-01-01

Preparation of the alkaline earth tungstate films such as Ba 1-x Sr x WO 4 and Ba 1-x Ca x WO 4 on the tungsten substrate was studied with a simple solution process assisted with the ball rotation at room temperature. The solid solution formation and limitations, the effect of oxidizing agent H 2 O 2 and alkaline earth ions concentration on the dissolution of W substrate and the growth of Ba 1-x Sr x WO 4 and Ba 1-x Ca x WO 4 films were studied in detail. The ball rotation assistance plays a very important role to enhance the dissolution of the W substrate and mass transport of the reactant species such as alkaline earth ions and WO 4 2- ions onto the solid/solution interface region, where precipitation occurs. Therefore, the rate of film formation was accelerated by the ball rotation assistance to the reaction system. Ba-rich Ba 1-x Sr x WO 4 and Ba 1-x Ca x WO 4 films were formed without high energy or high temperature treatment

Dental Laboratory Career Ladder (AFSC 4Y1X1)

Science.gov (United States)

1994-08-01

occlusions 8 H201 Arrange artificial teeth for monoplane occlusions 9 H202 Arrange artificial teeth for RPDs 10 H203 Arrange artificial teeth opposing natural ...remounting indices 7 H217 Fabricate overdentures for conventional abutments 8 H222 Fabricate teeth for RPDs using tooth-shaded acrylic 0011 ST0102 Medical...and arranging artificial teeth . Representative modules comprising the majority of job time for this cluster are listed below. Accompanying the TM

Hydrothermal synthesis, thermal, structural, spectroscopic and magnetic studies of the Mn5-x Co x (HPO4)2(PO4)2(H2O)4 (x=1.25, 2, 2.5 and 3) finite solid solution

International Nuclear Information System (INIS)

Larrea, Edurne S.; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

2007-01-01

The Mn 5- x Co x (HPO 4 ) 2 (PO 4 ) 2 (H 2 O) 4 (x=1.25, 2, 2.5, 3) finite solid solution has been synthesized by mild hydrothermal conditions under autogeneous pressure. The phases crystallize in the C2/c space group with Z=4, belonging to the monoclinic system. The unit-cell parameters obtained from single crystal X-ray diffraction are: a=17.525(1), b=9.0535(6), c=9.4517(7) A, β=96.633(5) o being R1=0.0436, wR2=0.0454 for Mn75Co25; a=17.444(2), b=9.0093(9), c=9.400(1) A, β=96.76(1) o being R1=0.0381, wR2=0.0490 for Mn60Co40; a=17.433(2), b=8.9989(9), c=9.405(1) A, β=96.662(9) o being R1=0.0438, wR2=0.0515 for Mn50Co50 and a=17.4257(9), b=8.9869(5), c=9.3935(5) A, β=96.685(4) o being R1=0.0296, wR2=0.0460 for Mn40Co60. The structure consists of a three dimensional network formed by octahedral pentameric entities (Mn,Co) 5 O 16 (H 2 O) 6 sharing vertices with the (PO 4 ) 3- and (HPO 4 ) 2- tetrahedra. The limit of thermal stability of these compounds is, approximately, 165 deg. C, near to this mean temperature the phases loose their water content in two successive steps. IR spectra show the characteristic bands of the water molecules and the phosphate and hydrogen-phosphate oxoanions. The diffuse reflectance spectra are consistent with the presence of MO 6 octahedra environments in slightly distorted octahedral geometry, except for the M(3)O 6 octahedron which presents a remarkable distortion and so a higher Dq parameter. The mean value for the Dq and B-Racah parameter for the M(1),(2)O 6 octahedra is 685 and 850 cm -1 , respectively. These parameters for the most distorted M(3)O 6 polyhedron are 825 and 880 cm -1 , respectively. The four phases exhibit antiferromagnetic couplings as the major magnetic interactions. However, a small spin canting phenomenon is observed at low temperatures for the two phases with major content in the anisotropic-Co(II) cation. - Graphical abstract: Crystal structure of the finite solid solution Mn 5-x Co x (HPO 4 ) 2 (PO 4 ) 2 (H

Hyperon polarisation in the reaction p-bar sup 1 sup 2 C -> LAMBDA-bar LAMBDA X

CERN Document Server

Pomp, S; Bröders, R; Bunker, B; Dennert, H; Eisenstein, R E; Eyrich, W; Fischer, H; Franklin, G; Franz, J; Geyer, R; Harris, P; Hauffe, J; Hertzog, D; Johansson, T; Jones, T; Kilian, K; Kraft, R A; Meyer, C; Oelert, W; Quinn, B; Röhrich, K; Rössle, E; Sachs, K; Schmitt, H; Schumacher, R; Sefzick, T; Stinzing, F; Tayloe, R; Todenhagen, R; Traneus, E; Wirth, S

2000-01-01

Data from the p-bar sup 1 sup 2 C -> LAMBDA-bar LAMBDA X reaction, collected by the PS185 experiment at antiproton momenta around 1.44 GeV/c, 1.66 GeV/c and 1.77 GeV/c, have been analyzed and the LAMBDA and LAMBDA-bar polarisations have been extracted. The events are classified as quasi-free or non-quasi-free and it is found that the polarisations for LAMBDA and LAMBDA-bar differ in the latter case. Such an effect comes from differences in the interaction of the outgoing LAMBDA and LAMBDA-bar with the residual nucleus and the measurement constitutes the first information on LAMBDA-bar interaction with nuclear matter.

Crystal and molecular structures of benzo[4,5]imidazo[1,2-c]quinazolin-6-one and 10-carboxybenzo[4,5]imidazo[1,2-c]quinazolin-6-one: A quantum-chemical study of their tautomerism

International Nuclear Information System (INIS)

Koval’chukova, O. V.; Stash, A. I.; Strashnov, P. V.; Neborak, E. V.; Strashnova, S. B.; Zaitsev, B. E.

2011-01-01

Benzo[4,5]imidazo[1,2-c]quinazolin-6-one and 10-carboxybenzo[4,5]imidazo[1,2-c]quinazolin-6-one were isolated in the crystalline state and studied by X-ray diffraction. The crystal and molecular structures of these compounds were determined by X-ray diffraction. The energy characteristics of the tautomeric and ionic forms were calculated by the quantum-chemical PM3 method.

Wavelengths of the Ni-like 4d1S0 - 4p1P1 x-ray laser line

International Nuclear Information System (INIS)

Li, Y.; Nilsen, J.; Dunn, J.; Osterheld, A.L.; Ryabtsev, A.; Churilov, S.

1998-01-01

We measure the wavelengths of the Ni-like 3d 9 4d 1 S 0 - 3d 9 4p 1 P 1 x-ray laser line in several low-Z Ni-like ions ranging from Y (Z=39) to Cd (Z=48). These wavelengths are compared with optimized level calculations using a multiconfiguration Dirac-Fock code. With the help of these results, we identify this line to very high accuracy in nonlasing plasmas from As (Z=33) to Mo (Z=42). Accurate values of these wavelengths are essential for performing plasma imaging and interferometry experiments with multilayer optics that use the x-ray laser to backlight other plasmas. These results also provide important atomic data that are currently missing about the energy of the 4d 1 S 0 level in the NiI sequence. copyright 1998 The American Physical Society

Single-source-precursor synthesis of dense SiC/HfC(x)N(1-x)-based ultrahigh-temperature ceramic nanocomposites.

Science.gov (United States)

Wen, Qingbo; Xu, Yeping; Xu, Binbin; Fasel, Claudia; Guillon, Olivier; Buntkowsky, Gerd; Yu, Zhaoju; Riedel, Ralf; Ionescu, Emanuel

2014-11-21

A novel single-source precursor was synthesized by the reaction of an allyl hydrido polycarbosilane (SMP10) and tetrakis(dimethylamido)hafnium(iv) (TDMAH) for the purpose of preparing dense monolithic SiC/HfC(x)N(1-x)-based ultrahigh temperature ceramic nanocomposites. The materials obtained at different stages of the synthesis process were characterized via Fourier transform infrared (FT-IR) as well as nuclear magnetic resonance (NMR) spectroscopy. The polymer-to-ceramic transformation was investigated by means of MAS NMR and FT-IR spectroscopy as well as thermogravimetric analysis (TGA) coupled with in situ mass spectrometry. Moreover, the microstructural evolution of the synthesized SiHfCN-based ceramics annealed at different temperatures ranging from 1300 °C to 1800 °C was characterized by elemental analysis, X-ray diffraction, Raman spectroscopy and transmission electron microscopy (TEM). Based on its high temperature behavior, the amorphous SiHfCN-based ceramic powder was used to prepare monolithic SiC/HfC(x)N(1-x)-based nanocomposites using the spark plasma sintering (SPS) technique. The results showed that dense monolithic SiC/HfC(x)N(1-x)-based nanocomposites with low open porosity (0.74 vol%) can be prepared successfully from single-source precursors. The average grain size of both HfC0.83N0.17 and SiC phases was found to be less than 100 nm after SPS processing owing to a unique microstructure: HfC0.83N0.17 grains were embedded homogeneously in a β-SiC matrix and encapsulated by in situ formed carbon layers which acted as a diffusion barrier to suppress grain growth. The segregated Hf-carbonitride grains significantly influenced the electrical conductivity of the SPS processed monolithic samples. While Hf-free polymer-derived SiC showed an electrical conductivity of ca. 1.8 S cm(-1), the electrical conductivity of the Hf-containing material was analyzed to be ca. 136.2 S cm(-1).

Are Nonadiabatic Reaction Dynamics the Key to Novel Organosilicon Molecules? The Silicon (Si(3P))-Dimethylacetylene (C4H6(X1A1g)) System as a Case Study.

Science.gov (United States)

Thomas, Aaron M; Dangi, Beni B; Yang, Tao; Kaiser, Ralf I; Lin, Lin; Chou, Tzu-Jung; Chang, Agnes H H

2018-06-06

The bimolecular gas phase reaction of ground-state silicon (Si; 3 P) with dimethylacetylene (C 4 H 6 ; X 1 A 1g ) was investigated under single collision conditions in a crossed molecular beams machine. Merged with electronic structure calculations, the data propose nonadiabatic reaction dynamics leading to the formation of singlet SiC 4 H 4 isomer(s) and molecular hydrogen (H 2 ) via indirect scattering dynamics along with intersystem crossing (ISC) from the triplet to the singlet surface. The reaction may lead to distinct energetically accessible singlet SiC 4 H 4 isomers ( 1 p8- 1 p24) in overall exoergic reaction(s) (-107 -20 +12 kJ mol -1 ). All feasible reaction products are either cyclic, carry carbene analogous silylene moieties, or carry C-Si-H or C-Si-C bonds that would require extensive isomerization from the initial collision complex(es) to the fragmenting singlet intermediate(s). The present study demonstrates the first successful crossed beams study of an exoergic reaction channel arising from bimolecular collisions of silicon, Si( 3 P), with a hydrocarbon molecule.

Luminescent and structural properties of Zn_xMg_1_-_xWO_4 mixed crystals

International Nuclear Information System (INIS)

Krutyak, N.; Nagirnyi, V.; Spassky, D.; Tupitsyna, I.; Dubovik, A.; Belsky, A.

2016-01-01

The structural and luminescent properties of perspective scintillating Zn_xMg_1_-_xWO_4 mixed crystals were studied. The following characteristics were found to depend linearly on x value: the energy of several vibrational modes detected by Raman spectroscopy, the bandgap width deduced from the shift of the excitation spectrum onset of a self-trapped exciton (STE) emission, the position of thermally stimulated luminescence peaks. It is also shown that the thermal stability of the STE luminescence decreases gradually when x decreases. These data indicate that each Zn_xMg_1_-_xWO_4 mixed crystal is not a mixture of two constituents, but possesses its original crystalline structure, as well as optical and luminescent properties. - Highlights: • The structural and luminescent properties of Zn_xMg_1_-_xWO_4 were studied. • The energy of Raman modes, the bandgap width, TSL peak position linearly depend on x. • Each Zn_xMg_1_-_xWO_4 possesses its original crystalline structure.

PHASE EVOLUTION AND MICROWAVE DIELECTRIC PROPERTIES OF (Li0.5Bi0.5)(W1-xMox)O4(0.0 ≤ x ≤ 1.0) CERAMICS WITH ULTRA-LOW SINTERING TEMPERATURES

Science.gov (United States)

Zhou, Di; Guo, Jing; Yao, Xi; Pang, Li-Xia; Qi, Ze-Ming; Shao, Tao

2012-11-01

The (Li0.5Bi0.5)(W1-xMox)O4(0.0 ≤ x ≤ 1.0) ceramics were prepared via the solid state reaction method. The sintering temperature decreased almost linearly from 755°C for (Li0.5Bi0.5)WO4 to 560°C for (Li0.5Bi0.5)MoO4. When the x≤0.3, a wolframite solid solution can be formed. For x = 0.4 and x = 0.6 compositions, both the wolframite and scheelite phases can be formed from the X-ray diffraction analysis, while two different kinds of grains can be revealed from the scanning electron microscopy and energy-dispersive X-ray spectrometer results. High performance of microwave dielectric properties were obtained in the (Li0.5Bi0.5)(W0.6Mo0.4)O4 ceramic sintered at 620°C with a relative permittivity of 31.5, a Qf value of 8500 GHz (at 8.2 GHz), and a temperature coefficient value of +20 ppm/°C. Complex dielectric spectra of pure (Li0.5Bi0.5)WO4 ceramic gained from the infrared spectra were extrapolated down to microwave range, and they were in good agreement with the measured values. The (Li0.5Bi0.5)(W1-xMox)O4(0.0 ≤ x ≤ 1.0) ceramics might be promising for low temperature co-fired ceramic technology.

Changing structural properties of mixed crystals [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 1-x}Co{sub x}Cl{sub 4} (x = 0, 0.5, 0.7, 0.9, and 1) by magic angle spinning nuclear magnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Lim, Ae Ran, E-mail: aeranlim@hanmail.net [Department of Science Education, Jeonju University, Jeonju 560-759 (Korea, Republic of); Department of Carbon Fusion Engineering, Jeonju University, Jeonju 560-759 (Korea, Republic of)

2016-03-01

Temperature dependences of the chemical shift and spin-lattice relaxation time in the rotating frame T{sub 1ρ} were measured for {sup 1}H and {sup 13}C nuclei in mixed crystals of the form [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 1-x} Co{sub x}Cl{sub 4} (x = 0, 0.5, 0.7, 0.9, and 1). The mixed crystals varied in color according to the amount of Co{sup 2+} ions, whereas the phase transition temperatures remained nearly unchanged. [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4} and [N(CH{sub 3}){sub 4}]{sub 2}CoCl{sub 4} crystals contain two nonequivalent types of a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4}. The two crystallographically different ions a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4} were distinguished using {sup 13}C CP/MAS NMR spectroscopy. The NMR spectrum and T{sub 1ρ} for {sup 1}H and {sup 13}C in case of x = 0.5 and x = 0.7 were similar to those for [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4}, whereas those for x = 0.9 were absolutely different. Additionally, [N(CH{sub 3}){sub 4}]{sub 2}Zn{sub 0.1}Co{sub 0.9}Cl{sub 4} exhibited the structural properties of both [N(CH{sub 3}){sub 4}]{sub 2}ZnCl{sub 4} and [N(CH{sub 3}){sub 4}]{sub 2}CoCl{sub 4}. - Highlights: • Chemical shift and spin-lattice relaxation time in rotating frame. • Two crystallographically different ions a-N(CH{sub 3}){sub 4} and b-N(CH{sub 3}){sub 4}. • Structural properties of mixed crystals.

Chemical Constituents from Bombacopsis glabra (Pasq. A. Robyns: Complete 1H and 13C NMR Assignments and X Ray Structure of 5-Hydroxy-3,6,7,8,4'-pentamethoxyflavone

Directory of Open Access Journals (Sweden)

Paula Vanderlúcia F.

2002-01-01

Full Text Available The flavone 5-hydroxy-3,6,7,8,4'-pentamethoxyflavone (1 and the triterpenes lupenone, 9,19-cyclolanost-23-ene-3beta,25-diol (2, (24R-9,19-cyclolanost-25-ene-3beta,24-diol (3 and (24S-9,19-cyclolanost-25-ene-3beta,24-diol (4 were isolated from the hexane extract of the stem bark of Bombacopsis glabra (Bombacaceae. The structures were determined by 13C and ¹H NMR (1D and 2D and mass spectrometry, and by comparison with literature data for triterpenes. The structure of the flavone 1 was unambiguously confirmed by a X-ray diffraction study. The five substances were isolated for the first time from Bombacaceae species.

X-ray and neutron single-crystal diffraction on [Rbx(NH4)1-x]3H(SO4)2. I. Refinement of crystal structure of phase II with x=0.11 at 300 K

International Nuclear Information System (INIS)

Loose, A.; Wozniak, K.; Dominiak, P.; Smirnov, L.S.; Natkaniec, I.; Frontas'eva, M.V.; Pomyakushina, E.V.; Baranov, A.I.; Dolbinina, V.V

2006-01-01

The study of [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals by X-ray single-crystal diffraction is known up to now only for x=0.57 at the temperatures 293 and 180 K. The crystal structures at these temperatures as was determined [1] belong to monoclinic phase II (C2/c sp. gr., Z=4). In accordance with this work, ammonium ions should be considered as deformed tetrahedra. Monoclinic phase II on the x-T phase diagram of [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals, which has earlier been determined by the dielectric spectroscopy, is stabilized below room temperature if Rb concentration exceeds 9%. The presented results of X-ray and neutron single-crystal diffraction of the [Rb 0.11 (NH 4 ) 0.89 ] 3 H(SO 4 ) 2 mixed crystal at T= 300 K show that ammonium ions could be considered as regular tetrahedra

Tuning of superconductivity by Ni substitution into noncentrosymmetric ThC o1 -xN ixC2

Science.gov (United States)

Grant, T. W.; Cigarroa, O. V.; Rosa, P. F. S.; Machado, A. J. S.; Fisk, Z.

2017-07-01

The recently discovered noncentrosymmetric superconductor ThCoC2 was observed to show unusual superconducting behavior with a critical temperature of Tc=2.65 K . Here we investigate the effect of nickel substitution on the superconducting state in ThC o1 -xN ixC2 . Magnetization, resistivity, and heat capacity measurements demonstrate Ni substitution has a dramatic effect with critical temperature increased up to Tc=12.1 K for x =0.4 Ni concentration, which is a rather high transition temperature for a noncentrosymmetric superconductor. In addition, the unusual superconducting characteristics observed in pure ThCoC2 appear to be suppressed or tuned with Ni substitution towards a more conventional fully gapped superconductor.

One-pot synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole.

Science.gov (United States)

Tam, Teck Lip; Li, Hairong; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Lam, Yeng Ming; Mhaisalkar, Subodh G; Grimsdale, Andrew C

2010-08-06

A one-step synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole with use of 1,2,4,5-tetraaminobenzene tetrahydrobromide and thionyl bromide in good yield is reported. This unit can then be used in the synthesis of low bandgap materials via palladium-catalyzed coupling reactions. The approach offers a quick and easy way to prepare low bandgap materials as compared to the current literature methods.

Magnetic ordering of Gd/sub x/Er/sub 1-x/Rh4B4 near the superconducting region

International Nuclear Information System (INIS)

Kohn, S.; Wang, R.H.; Smith, J.L.; Huang, C.Y.

1979-01-01

Gd/sub x/Er/sub 1-x/Rh 4 B 4 exhibits superconductivity at some critical temperature T/sub c/ followed by the onset of long-range ferromagnetic ordering at a lower temperature and a loss of superconductivity for x 2 Oe), the extrema in chi (T) and R(T) are depressed and smeared considerably with a corresponding shift in the temperature at which the extrema occur. (2) The sample is not superconducting down to 0.6 K. (3) In the presence of a dc magnetic field, a second ac chi peak appears at a slightly higher temperature. (4) The field dependence of the ac susceptibility resembles that of a spin glass. Details of the field dependence of these observations and the nature of these phenomena will be presented

Luminescence and optical spectroscopy of charge transfer processes in solid solutions Ni{sub C}Mg{sub 1−C}O and Ni{sub x}Zn{sub 1−x}O

Energy Technology Data Exchange (ETDEWEB)

Sokolov, V.I., E-mail: visokolov@imp.uran.ru [Institute of Metal Physics, Russian Academy of Science, Ural Branch, S. Kovalevskaya Street 18, 620990 Yekaterinburg (Russian Federation); Pustovarov, V.A.; Churmanov, V.N. [Ural Federal University, Mira Street 19, 620002 Yekaterinburg (Russian Federation); Gruzdev, N.B.; Uimin, M.A.; Byzov, I.V.; Druzhinin, A.V. [Institute of Metal Physics, Russian Academy of Science, Ural Branch, S. Kovalevskaya Street 18, 620990 Yekaterinburg (Russian Federation); Mironova-Ulmane, N.A. [Institute of Solid State Physics, University of Latvia, Kengaraga Street 8, LV-1063 Riga (Latvia)

2016-01-15

In this work photoluminescence spectra for Ni{sub c}Mg{sub 1−c}O and Ni{sub x}Zn{sub 1−x}O solid solutions with the rock-salt crystal structure were obtained under synchrotron radiation excitation. Periodical peaks in the photoluminescence excitation spectrum of Ni{sub c}Mg{sub 1−c}O (c=0.008) have been discovered for a wide-gap oxide doped with 3d impurities for the first time. They can be considered as LO phonon repetitions of the narrow zero phonon line resulted from the optical transitions into the p–d charge transfer exciton [d{sup 9}h] state. A close coincidence in energy of different peculiarities in the optical absorption and photoluminescence excitation spectra for the Ni{sub c}Mg{sub 1−c}O and Ni{sub x}Zn{sub 1−x}O solid solutions is due to the practically equal interatomic distances Ni–O in the investigated materials. The bulk of new experimental results is the trustworthy evidence that only the p–d charge transfer transitions manifest themselves in the spectral region of 3.5–6.5 eV. - Highlights: • Emission of Ni{sub c}Mg{sub 1−c}O nanocystals excited by synchrotron radiation is obtained. • LO phonon repetitions have been observed in PLE spectra of Ni{sub c}Mg{sub 1−c}O firstly for wide gap oxide materials doped with 3d impurities. • The [d{sup 9}h] acceptor exciton state in Ni{sub c}Mg{sub 1−c}O (c=0.008) are indirectly revealed. • The begin of PLE spectra of Ni{sub x}Zn{sub 1−x}O are not virtually shifted with a change of composition x. • The near energy coincidence of absorption peaks for nanocrystals NiO and single crystal Ni{sub c}Mg{sub 1−c}O (c=0.0006) manifests itself.

Mean-field theory for the Tsub(c2)-minimum in the phase diagram of Ersub(1-x)Hosub(x)Rh4B4

International Nuclear Information System (INIS)

Schuh, B.; Grewe, N.

1981-01-01

The experimentally observed shape of the phase boundary between the superconducting and the ferromagnetically ordered state in the reentrant ferromagnetic superconductor compound Ersub(1-x)Hosub(x)Rh 4 B 4 is explained within a simple Ginsburg-Landau mean field theory as resulting from a competition of two order parameters corresponding to the magnetic Ho- and Er-moments respectively. (author)

Observation of e+e-→ϕ χc 1 and ϕ χc 2 at √{s }=4.600 GeV

Science.gov (United States)

Ablikim, M.; Achasov, M. N.; Ahmed, S.; Albrecht, M.; Amoroso, A.; An, F. F.; An, Q.; Bai, J. Z.; Bai, Y.; Bakina, O.; Baldini Ferroli, R.; Ban, Y.; Bennett, D. W.; Bennett, J. V.; Berger, N.; Bertani, M.; Bettoni, D.; Bian, J. M.; Bianchi, F.; Boger, E.; Boyko, I.; Briere, R. A.; Cai, H.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chai, J.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, P. L.; Chen, S. J.; Chen, X. R.; Chen, Y. B.; Chu, X. K.; Cibinetto, G.; Dai, H. L.; Dai, J. P.; Dbeyssi, A.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; de Mori, F.; Ding, Y.; Dong, C.; Dong, J.; Dong, L. Y.; Dong, M. Y.; Dou, Z. L.; Du, S. X.; Duan, P. F.; Fang, J.; Fang, S. S.; Fang, Y.; Farinelli, R.; Fava, L.; Fegan, S.; Feldbauer, F.; Felici, G.; Feng, C. Q.; Fioravanti, E.; Fritsch, M.; Fu, C. D.; Gao, Q.; Gao, X. L.; Gao, Y.; Gao, Y. G.; Gao, Z.; Garzia, I.; Goetzen, K.; Gong, L.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, Y. T.; Guo, A. Q.; Guo, R. P.; Guo, Y. P.; Haddadi, Z.; Han, S.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, X. Q.; Heinsius, F. H.; Held, T.; Heng, Y. K.; Holtmann, T.; Hou, Z. L.; Hu, H. M.; Hu, T.; Hu, Y.; Huang, G. S.; Huang, J. S.; Huang, X. T.; Huang, X. Z.; Huang, Z. L.; Hussain, T.; Ikegami Andersson, W.; Ji, Q.; Ji, Q. P.; Ji, X. B.; Ji, X. L.; Jiang, X. S.; Jiang, X. Y.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jin, Y.; Johansson, T.; Julin, A.; Kalantar-Nayestanaki, N.; Kang, X. L.; Kang, X. S.; Kavatsyuk, M.; Ke, B. C.; Khan, T.; Khoukaz, A.; Kiese, P.; Kliemt, R.; Koch, L.; Kolcu, O. B.; Kopf, B.; Kornicer, M.; Kuemmel, M.; Kuessner, M.; Kuhlmann, M.; Kupsc, A.; Kühn, W.; Lange, J. S.; Lara, M.; Larin, P.; Lavezzi, L.; Leithoff, H.; Leng, C.; Li, C.; Li, Cheng; Li, D. M.; Li, F.; Li, F. Y.; Li, G.; Li, H. B.; Li, H. J.; Li, J. C.; Li, Jin; Li, K. J.; Li, Kang; Li, Ke; Li, Lei; Li, P. L.; Li, P. R.; Li, Q. Y.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Lin, D. X.; Liu, B.; Liu, B. J.; Liu, C. X.; Liu, D.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H. B.; Liu, H. M.; Liu, Huanhuan; Liu, Huihui; Liu, J. B.; Liu, J. P.; Liu, J. Y.; Liu, K.; Liu, K. Y.; Liu, Ke; Liu, L. D.; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqing; Long, Y. F.; Lou, X. C.; Lu, H. J.; Lu, J. G.; Lu, Y.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, X. L.; Lyu, X. R.; Ma, F. C.; Ma, H. L.; Ma, L. L.; Ma, M. M.; Ma, Q. M.; Ma, T.; Ma, X. N.; Ma, X. Y.; Ma, Y. M.; Maas, F. E.; Maggiora, M.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Marcello, S.; Meng, Z. X.; Messchendorp, J. G.; Mezzadri, G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Mo, Y. J.; Morales Morales, C.; Muchnoi, N. Yu.; Muramatsu, H.; Musiol, P.; Mustafa, A.; Nefedov, Y.; Nerling, F.; Nikolaev, I. B.; Ning, Z.; Nisar, S.; Niu, S. L.; Niu, X. Y.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pan, Y.; Papenbrock, M.; Patteri, P.; Pelizaeus, M.; Pellegrino, J.; Peng, H. P.; Peters, K.; Pettersson, J.; Ping, J. L.; Ping, R. G.; Pitka, A.; Poling, R.; Prasad, V.; Qi, H. R.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, N.; Qin, X. S.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Redmer, C. F.; Richter, M.; Ripka, M.; Rolo, M.; Rong, G.; Rosner, Ch.; Sarantsev, A.; Savrié, M.; Schnier, C.; Schoenning, K.; Shan, W.; Shao, M.; Shen, C. P.; Shen, P. X.; Shen, X. Y.; Sheng, H. Y.; Song, J. J.; Song, W. M.; Song, X. Y.; Sosio, S.; Sowa, C.; Spataro, S.; Sun, G. X.; Sun, J. F.; Sun, L.; Sun, S. S.; Sun, X. H.; Sun, Y. J.; Sun, Y. K.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, G. Y.; Tang, X.; Tapan, I.; Tiemens, M.; Tsednee, B.; Uman, I.; Varner, G. S.; Wang, B.; Wang, B. L.; Wang, D.; Wang, D. Y.; Wang, Dan; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, Meng; Wang, P.; Wang, P. L.; Wang, W. P.; Wang, X. F.; Wang, Y.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wang, Zongyuan; Weber, T.; Wei, D. H.; Weidenkaff, P.; Wen, S. P.; Wiedner, U.; Wolke, M.; Wu, L. H.; Wu, L. J.; Wu, Z.; Xia, L.; Xia, Y.; Xiao, D.; Xiao, H.; Xiao, Y. J.; Xiao, Z. J.; Xie, Y. G.; Xie, Y. H.; Xiong, X. A.; Xiu, Q. L.; Xu, G. F.; Xu, J. J.; Xu, L.; Xu, Q. J.; Xu, Q. N.; Xu, X. P.; Yan, L.; Yan, W. B.; Yan, W. C.; Yan, Y. H.; Yang, H. J.; Yang, H. X.; Yang, L.; Yang, Y. H.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yin, J. H.; You, Z. Y.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yuan, C. Z.; Yuan, Y.; Yuncu, A.; Zafar, A. A.; Zeng, Y.; Zeng, Z.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. L.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, K.; Zhang, L.; Zhang, S. Q.; Zhang, X. Y.; Zhang, Y. H.; Zhang, Y. T.; Zhang, Yang; Zhang, Yao; Zhang, Yu; Zhang, Z. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, J. W.; Zhao, J. Y.; Zhao, J. Z.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, W. J.; Zheng, Y. H.; Zhong, B.; Zhou, L.; Zhou, X.; Zhou, X. K.; Zhou, X. R.; Zhou, X. Y.; Zhou, Y. X.; Zhu, J.; Zhu, J.; Zhu, K.; Zhu, K. J.; Zhu, S.; Zhu, S. H.; Zhu, X. L.; Zhu, Y. C.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Besiii Collaboration

2018-02-01

Using a data sample collected with the BESIII detector operating at the BEPCII storage ring at a center-of-mass energy of √{s }=4.600 GeV , we search for the production of e+e-→ϕ χc 0 ,1 ,2 . A search is also performed for the charmonium-like state X (4140 ) in the radiative transition e+e-→γ X (4140 ) with X (4140 ) subsequently decaying into ϕ J /ψ . The processes e+e-→ϕ χc 1 and ϕ χc 2 are observed for the first time, each with a statistical significance of more than 10 σ , and the Born cross sections are measured to be (4. 2-1.0+1.7±0.3 ) and (6. 7-1.7+3.4±0.5 ) pb , respectively, where the first uncertainties are statistical and the second systematic. No significant signals are observed for e+e-→ϕ χc 0 and e+e-→γ X (4140 ) and upper limits on the Born cross sections at 90% C.L. are provided at √{s }=4.600 GeV .

Synthesis of 1-(4-methylsulfone-phenyl)-5-(4-fluoro-phenyl)-5-[14C]-1,2,3- triazole and 1-(4-sulfonamide-phenyl)-5-(4-fluoro-phenyl)-5-[14C]-1,2,3- triazole as novel carbon-14 anticonvulsant

International Nuclear Information System (INIS)

Saemian, N.; Shirvani, G.; Matloubi, H.

2006-01-01

Two 1,2,3-triazole anticonvulsants, 1-(4-methylsulfone-phenyl)-5-(4-fluoro-phenyl)-5-[ 14 C]-1,2,3-triazole and 1-(4-sulfonamide-phenyl)-5-(4- fluoro-phenyl)-5-[ 14 C]-1,2,3-triazole, both labeled with carbon-14 in the 5-position were prepared from para-fluoro-benzonitrile-[cyano- 14 C]. (author)

Atomistic Frictional Properties of the C(1002x1-H Surface

Directory of Open Access Journals (Sweden)

Paul M. Jones

2013-01-01

Full Text Available Density functional theory- (DFT- based ab initio calculations were used to investigate the surface-to-surface interaction and frictional behavior of two hydrogenated C(100 dimer surfaces. A monolayer of hydrogen atoms was applied to the fully relaxed C(1002x1 surface having rows of C=C dimers with a bond length of 1.39 Å. The obtained C(1002x1-H surfaces (C–H bond length 1.15 Å were placed in a large vacuum space and translated toward each other. A cohesive state at a surface separation of 4.32 Å that is stabilized by approximately 0.42 eV was observed. An increase in the charge separation in the surface dimer was calculated at this separation having a 0.04 e transfer from the hydrogen atom to the carbon atom. The Mayer bond orders were calculated for the C–C and C–H bonds and were found to be 0.962 and 0.947, respectively. σ C–H bonds did not change substantially from the fully separated state. A significant decrease in the electron density difference between the hydrogen atoms on opposite surfaces was seen and assigned to the effects of Pauli repulsion. The surfaces were translated relative to each other in the (100 plane, and the friction force was obtained as a function of slab spacing, which yielded a 0.157 coefficient of friction.

The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shiyan [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Du, Xin [Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Lin, Zheshuai [Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences, Beijing 100190 (China); Zhong, Junbo [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Wu, Yuandong, E-mail: wuyuandong2013@outlook.com [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Xu, Jingli [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)

2016-06-15

Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe{sub 4} has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe{sub 4} is composed of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4}(M=Si, Ga) tetrahedra. AgGaSiSe{sub 4} is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe{sub 4} and the value is 0.33 eV larger than that of Ag{sub 3}Ga{sub 3}SiSe{sub 8} (2.30 eV). - Graphical abstract: The Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe{sub 4} was synthesized for the first time. AgGaSiSe{sub 4} crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4} (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe{sub 4}. • AgGaSiSe{sub 4} crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe{sub 4} is enlarged compared with Ag{sub 3}Ga{sub 3}SiSe{sub 8}.

Thermodynamics of the vaporization of non-stoichiometric thorium monocarbide ThC1±x

International Nuclear Information System (INIS)

Yamawaki, Michio; Koyama, Tadafumi; Takahashi, Yoichi

1989-01-01

Vaporization thermodynamics of thorium monocarbide phase ThC 1±x was studied by mass spectrometric Knudsen effusion method at the compositions of ThC 0.891 , ThC 0.975 , ThC 1.007 and ThC 1.074 . The partial vapor pressure of Th(g) and activities of Th and C in ThC 1±x were determined at 2060 to 2330 K. Gibbs energies of formation of ThC 1±x were also determined. Congruent vaporization composition of ThC 1±x was evaluated at 2300 K to be ThC 1.09 . Congruent vaporization and congruent effusing compositions were defined explicitly and their characteristics brought out. (orig.)

Neutron single crystal diffraction studies of orientational glass state in the [Rbx(NH4)1-x]3H(SO4)2 mixed crystals

International Nuclear Information System (INIS)

Smirnov, L.S.; Reehuis, M.; Loose, A.; Hohlwein, D.; Hoffmann, J.U.; Wozniak, K.; Dominiak, P.; Baranov, A.I.; Dolbinina, V.V.

2005-01-01

The [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystal with the concentration x=0.0 at room temperature crystallizes in a monoclinic C2/c with sp.gr. (space group), which is stabilized for x>0.09 down to low temperatures. This system is transformed in the orientational glass state below the freezing temperature T g =30 K. The differential Fourier maps for the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals show that if for x=0.0 and 0.11 at 293 K the obtained maps reflect different orientational positions of crystallographically independent NH 4 (1) and NH 4 (2) groups, then the differential Fourier maps for x=0.20 at 9 K in the orientational glass state are similar for both ammonium groups reflecting their static disorder. The existence of the modulated structure in the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals with x=0.11 at 2 K is discovered, while the modulated structure for x=0.20 at 2 K is absent. This observation supposes that there should be two different regions of the orientational glass state on x-T phase diagram of the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals

Crystal structure of 4,4′-bis[3-(piperidin-1-ylprop-1-yn-1-yl]-1,1′-biphenyl

Directory of Open Access Journals (Sweden)

Anqi Walbaum

2017-06-01

Full Text Available The title compound, C28H32N2, (I, is one of a second generation of compounds designed and synthesized based on a very potent and selective α9α10 nicotinic acetylcholine receptor antagonist ZZ161C {1,1′-[[1,1′-biphenyl]-4,4′-diylbis(prop-2-yne-3,1-diyl]bis(3,4-dimethylpyridin-1-ium bromide}, which has shown analgesic effects in a chemotherapy-induced neuropathy animal model. Compound (I was synthesized by the reaction of 4,4′-bis(3-bromoprop-1-yn-1-yl-1,1′-biphenyl with piperidine at room temperature in acetonitrile. The single-crystal used for X-ray analysis was obtained by dissolving (I in a mixture of dichloromethane and methanol, followed by slow evaporation of the solvent. In the crystal of (I, the biphenyl moiety has a twisted conformation, with a dihedral angle of 25.93 (4° between the benzene rings. Both piperidine head groups in (I are in the chair conformation and are oriented so that the N-atom lone pairs of each piperidine group point away from the central biphenyl moiety.

Thermal, spectroscopic and magnetic properties of the Co xNi1-x(SeO3).2H2O (x = 0, 0.4, 1) phases

International Nuclear Information System (INIS)

Larranaga, A.; Mesa, J.L.; Pizarro, J.L.; Pena, A.; Chapman, J.P.; Arriortua, M.I.; Rojo, T.

2005-01-01

The Co x Ni 1-x (SeO 3 ).2H 2 O (x = 0, 0.4, 1) family of compounds has been hydrothermally synthesized under autogeneous pressure and characterized by elemental analysis, infrared and UV-vis spectroscopies and thermogravimetric and thermodiffractometric techniques. The crystal structure of Co 0.4 Ni 0.6 (SeO 3 ).2H 2 O has been solved from single-crystal X-ray diffraction data. This phase is isostructural with the M(SeO 3 ).2H 2 O (M = Co and Ni) minerals and crystallizes in the P2 1 /n space group, with a 6.4681(7), b = 8.7816(7), c = 7.5668(7) A, β = 98.927(9) deg and Z = 4. The crystal structure of this series of compounds consists of a three-dimensional framework formed by (SeO 3 ) 2- selenite oxoanions and edge-sharing M 2 O 10 dimeric octahedra in which the metallic cations are coordinated by the oxygens belonging to both the selenite groups and water molecules. The diffuse reflectance spectra show the essential characteristics of Co(II) and Ni(II) cations in slightly distorted octahedral environments. The calculated values of the Dq and Racah (B and C) parameters are those habitually found for the 3d 7 and 3d 8 cations in octahedral coordination. The magnetic measurements indicate the existence of antiferromagnetic interactions in all the compounds. The magnetic exchange pathways involve the metal orbitals from edge-sharing dimeric octahedra and the (SeO 3 ) 2- anions which are linked to the M 2 O 10 polyhedra in three dimensions

Dicty_cDB: Contig-U06890-1 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available 2 ) CLLX1301.b1_J13.ab1 CLL(XYZ) lettuce saligna Lact... 38 0.056 2 ( CX084866 ) EHABX22TR E. histolytica Normalized cDNA library...4-storage roo... 50 0.071 1 ( CX089593 ) EHAE127TR E. histolytica Normalized cDNA library...09.T7.185889.ab1 non-sporulating culture o... 54 0.005 1 ( EL926280 ) NY4ThAmp1_1...EST2947 Zea mays sperm cell cDNA library Zea mays... 38 0.21 2 ( BG320461 ) Zm03_10d10_A Zm03_AAFC_ECORC_cold_stre... ( AI438501 ) 486006A05.x4 486 - leaf primordia cDNA library fr... 38 0.21 2 ( AI861145 ) 603012G11.x1 603 - stressed root cDNA libra

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

Energy Technology Data Exchange (ETDEWEB)

Midouni, Adnene [Useful Materials Valorization Laboratory, National Centre of Research in Materials Science, Technologic Park of Borj Cedria, B.P. 73, 8027 Soliman (Tunisia); Université de Tunis El Manar, Campus Universitaire Farhat Hached, B.P. No 94- Rommana, 1068 Tunis (Tunisia); Houchati, Mohamed Ikbal, E-mail: ikb_med@yahoo.fr [Useful Materials Valorization Laboratory, National Centre of Research in Materials Science, Technologic Park of Borj Cedria, B.P. 73, 8027 Soliman (Tunisia); Unité de Recherche Catalyse et Matériaux pour l’Environnement et les Procédés URCMEP (UR11ES85), Faculté des Sciences de Gabès/Université de Gabès, Campus Universitaire Cité Erriadh, Gabès 6072 (Tunisia); Othman, Walid Belhaj [Laboratoire de Physico-Chimie des Matériaux Minéraux et leurs Applications, CNRSM, Technopole de Borj Cedria, B.P. 95, Hammam-Lif 2050 (Tunisia); Chniba-Boudjada, Nassira [Laboratoire de Cristallographie, CNRS, 25 Avenue des Martyrs, BP 166, 3804 Grenoble Cedex 9 (France); Ceretti, Monica; Paulus, Werner [Institut de Chimie Moléculaire et des Matériaux – UMR 5253 – ICG C2M: Chimie et Cristallochimie des Matériaux, Université de Montpellier 2, Case courrier 01504 Place Eugène Bataillon, Bat 15, F-34095 Montpellier cedex 5 (France); and others

2016-08-15

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

Ionic conductivity of LISICON solid solutions, Li 2+2 xZn 1- xGeO 4

Science.gov (United States)

Bruce, P. G.; West, A. R.

1982-10-01

The conductivity of LISICON γII-type solid solutions of general formula Li 2+2 xZn 1- xGeO 4 (-0.36 class of Li + ion conductors, was measured over the temperature range ˜25 to 300°C. Conductivities appear to be very composition dependent near the stoichiometric composition x = 0, but less so in the range 0.15 ≲ x ≲ 0.87. It is shown that interstitial Li + ions rather than cation vacancies give rise to high conductivities. The solid electrolyte properties and possible applications of the solid solutions are evaluated. The LISICON composition, x = 0.75, decomposes readily above ˜300°C by precipitation of Li 4GeO 4, thereby limiting its possible usefulness, but compositions in the range x = 0.45 to 0.55 appear to be stable at all temperatures. However, irreversible decreases in conductivity (aging effects) occur on annealing, even at room temperature. The conductivity data of quenched samples give linear Arrhenius plots, but with anomalously high prefactors, over the range ˜25 to 130°C; at higher temperatures reversible changes of slope to lower activation energies occur. A variety of minor polymorphic transitions occur on annealing γII solid solutions below ˜300°C and their relationship to the conductivity was also determined.

A facile synthesis of Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C composites as cathode materials for lithium-ion batteries

International Nuclear Information System (INIS)

Yang, Rong; Wang, Liqing; Deng, Kunfa; Lv, Mengni; Xu, Yunhua

2016-01-01

The novel Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C has been successfully synthesized by a feasible solution process in ternary system. The spherical carbon-coated composites are obtained using a heat treatment in the presence of sucrose. X-ray diffraction (XRD) diffractogram displays that the Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C crystallized in an orthorhombic structure with a space group of Pmn21. The energy-dispersive X-ray spectroscopy mappings indicate that Fe, Mn and Ni elements are distributed homogenously in Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C nano-spherical particle with size less than 50 nm. The lithium storage capacity and cycling performance of the Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C presents good results when tested as cathode materials in lithium cells at room temperature. It delivers an initial discharge capacity of 181.4 mAh g"−"1 and a discharge capacity of 172.9 mAh g"−"1 after 20 cycles at 0.1C in the voltage range of 1.5–4.6V. Furthermore, it also exhibits an excellent rate capability with a capacity under different current densities of about 144.0 mAh g"−"1 (0.2 C), 117.9 mAh g"−"1 (0.5 C), 106.1 mAh g"−"1 (1 C), respectively and a good capacity cycling maintenance of 153.7 mAh g"−"1 after 60 cycles. Above results indicate that the spherical Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C becomes a very promising candidate for cathode material in lithium-ion batteries. - Highlights: • Li_2Fe_1_/_3Mn_1_/_3Ni_1_/_3SiO_4/C was obtained by solution process in a ternary system. • The material was pure phase ternary solid solution with tetrahedral morphology. • The spherical particle size was less than 50 nm with graphitized carbon coating. • The nanocomposite revealed high discharge capacity and excellent rate capability.

Air Traffic Control Officer AFSC 13MX OSSN 2335

National Research Council Canada - National Science Library

1999-01-01

The Air Traffic Control Officer utilization field was surveyed to better understand the utilization of AFSC 1 3MX personnel, validate training requirements, empirically determine career progression...

Polaronic transport and thermoelectricity in Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2)

Science.gov (United States)

Liu, Yu; Kang, Chang-Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, G.; Petrovic, C.

2018-04-01

We report a study of Co-doped berthierite Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2). The alloy series of Fe1 -xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ˜270 meV ), and thermopower, ES (47 ˜108 meV ), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x =0 ) exhibit a broad antiferromagnetic transition (TN=46 K ) followed by an additional weak transition (T*=50 K ). Transition temperatures (TN and T*) slightly decrease with increasing Co content x . This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1 -xCoxSb2S4 shows relatively high value of thermopower (up to ˜624 μ V K-1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.

Synthesis of 11-14C-quetiapine, 11-14C-isoclotiapine and 10-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine[10-14C

International Nuclear Information System (INIS)

Naghi Saadatjoo; Mohsen Javaheri; Nuclear Science and Technology Research Institute, Tehran; Nader Saemian; Mohsen Amini

2016-01-01

Quetiapine is one of the most widely used antipsychotic drug which acts as an antagonist for multiple neurotransmitter receptor sites. 2-[2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy]ethanol (quetiapine) labeled with carbon-14 in 11-position has been synthesized as part of a 5-step sequence from anthranilic acid-[carboxy- 14 C]. We have presented a convenient synthetic pathway for labeling of quetiapine with carbon-14 by using one-pot procedures from a key thiazepin-11(10H)-one-[11- 14 C] by good radiochemical yield. And also isoclotiapine[11- 14 C], and 10-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine[10- 14 C], synthesized according to this route. (author)

α-Glucosidase inhibition and antioxidant activity of an oenological commercial tannin. Extraction, fractionation and analysis by HPLC/ESI-MS/MS and (1)H NMR.

Science.gov (United States)

Muccilli, Vera; Cardullo, Nunzio; Spatafora, Carmela; Cunsolo, Vincenzo; Tringali, Corrado

2017-01-15

Two batches of the oenological tannin Tan'Activ R, (toasted oak wood - Quercus robur), were extracted with ethanol. A fractionation on XAD-16 afforded four fractions for each extract. Extracts and fractions were evaluated for antioxidant activity (DPPH), polyphenol content (GAE) and yeast α-glucosidase inhibitory activity. Comparable results were obtained for both columns, fractions X1B and X2B showing the highest antioxidant activity. Fractions X1C and X2C notably inhibited α-glucosidase, with IC50=9.89 and 8.05μg/mL, respectively. Fractions were subjected to HPLC/ESI-MS/MS and (1)H NMR analysis. The main phenolic constituents of both X1B and X2B were a monogalloylglucose isomer (1), a HHDP-glucose isomer (2), castalin (3) gallic acid (4), vescalagin (5), and grandinin (or its isomer roburin E, 6). X1C and X2C showed a complex composition, including non-phenolic constituents. Fractionation of X2C gave a subfraction, with enhanced α-glucosidase inhibitory activity (IC50=6.15μg/mL), with castalagin (7) as the main constituent. Copyright © 2016 Elsevier Ltd. All rights reserved.

Pycnometric and Spectroscopic Studies of Red Phosphors Ca{sub (1-1.5x)}{sup 2+} WO{sub 4}:Eu{sub x}{sup 3+} Ca{sub (1}-{sub 2x)}{sup 2+} WO{sub 4}:Eu{sub x}{sup 3+},Na{sub x}{sup +}

Energy Technology Data Exchange (ETDEWEB)

Cho, Seonwoog [Silla Univ., Busan (Korea, Republic of)

2013-09-15

Red phosphors Ca{sub (1-1.5x)}Eu{sub x}WO{sub 4} and Ca{sub (1-2x)}Eu{sub x}Na{sub x}WO{sub 4} were synthesized with various concentrations x of Eu{sup 3+} ions by using a solid-state reaction method. The crystal structure of the red phosphors were found to be a tetragonal scheelite structure with space group I4{sub 1}/a. X-ray diffraction (XRD) results show the (112) main diffraction peak centered at 2θ = 28.71 .deg., and indicate that there is no basic structural deformation caused by the vacancies V{sub Ca}'' or the Eu{sup 3+} (and Na{sup +}) ions in the host crystals. Densities of Ca{sub (1.1.5x)}Eu{sub x}WO{sub 4} were measured on a (helium) gas pycnometer. Comparative results between the experimental and theoretical densities reveal that Eu{sup 3+} (and Na{sup +}) ions replace the Ca{sup 2+} ions in the host CaWO{sub 4}. Also, the photoluminescence (PL) emission and photoluminescence excitation (PLE) spectra show the optical properties of trivalent Eu{sup 3+} ions, not of divalent Eu{sup 2+}. Raman spectra exhibit that, without showing any difference before and after the doping of activators to the host material CaWO{sub 4}, all the gerade normal modes occur at the identical frequencies with the same shapes and weaker intensities after the substitution. However, the FT-IR spectra show that some of the ungerade normal modes have shifted positions and different shapes, caused by different masses of Eu{sup 3+} ions (or Na{sup +} ions, or V{sub Ca}'' vacancies) from Ca2{sup +}.

Novel protonated and hydrated n=1 Ruddlesden-Popper phases, HxNa1-xLaTiO4.yH2O, formed by ion-exchange/intercalation reaction

International Nuclear Information System (INIS)

Nishimoto, Shunsuke; Matsuda, Motohide; Miyake, Michihiro

2005-01-01

New derivatives of layered perovskite compounds with H 3 O + ions, H + ions and water molecules in the interlayer, H x Na 1-x LaTiO 4 .yH 2 O, were successfully synthesized by an ion-exchange/intercalation reaction with dilute HCl solution, using an n=1 member of Ruddlesden-Popper phase, NaLaTiO 4 . Powder X-ray diffraction revealed that the layered structure changed from space group P4/nmm with a=3.776(1) and c=13.028(5)A to I4/mmm with a=3.7533(3) and c=28.103(4)A after the ion-exchange/intercalation reaction at pH 5. The change of space group indicates that the perovskite layers are transformed from staggered to an eclipsed configuration through the ion-exchange/intercalation reaction. Thermogravimetric analysis and high-temperature powder X-ray diffraction suggested the existence of the secondary hydrated phase by dehydrating H x Na 1-x LaTiO 4 .yH 2 O at 100 o C

Raman scattering, microstructural and dielectric studies on Ba{sub 1-x}Ca{sub x}Bi{sub 4}Ti{sub 4}O{sub 15} ceramics

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sunil; Kundu, Swarup [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Ochoa, D.A.; Garcia, J.E. [Department of Applied Physics, Universitat Politecnica de Catalunya, 08034 Barcelona (Spain); Varma, K.B.R., E-mail: kbrvarma@mrc.iisc.ernet.in [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India)

2012-10-15

Polycrystalline powders of Ba{sub 1-x}Ca{sub x}Bi{sub 4}Ti{sub 4}O{sub 15} (where x = 0, 0.25, 0.50, 0.75 and 1) were prepared via the conventional solid-state reaction route. X-ray diffraction (XRD) and Raman scattering techniques have been employed to probe into the structural changes on changing x. XRD analyses confirmed the formation of monophasic bismuth layered structure of all the above compositions with an increase in orthorhombic distortion with increase in x. Raman spectra revealed a redshift in A{sub 1g} peak and an increase in the B{sub 2g}/B{sub 3g} splitting with increasing Ca content. The average grain size was found to increase with increasing x. The temperature of the maximum dielectric constant (T{sub m}) increased linearly with increasing Ca-content whereas the diffuseness of the phase transition was found to decrease with the end member CaBi{sub 4}Ti{sub 4}O{sub 15} showing a frequency independent sharp phase transition around 1048 K. Ca doping resulted in a decrease in the remnant polarization and an increase in the coercive field. Ba{sub 0.75}Ca{sub 0.25}Bi{sub 4}Ti{sub 4}O{sub 15} ceramics showed an enhanced piezoelectric coefficient d{sub 33} of 15 pC N{sup -1} at room temperature. Low values of dielectric losses and tunability of temperature coefficient of dielectric constant ({tau}{sub {epsilon}}) in the present solid-solution suggest that these compounds can be of potential use in microwave dielectrics at high temperatures. Highlights: Black-Right-Pointing-Pointer Ba{sub 1-x}Ca{sub x}Bi{sub 4}Ti{sub 4}O{sub 15} (0 {<=} x {<=} 1) ceramics with four-layer Aurivillius structure were fabricated. Black-Right-Pointing-Pointer X-ray diffraction and Raman scattering techniques have been employed to probe into the structural changes on changing x. Black-Right-Pointing-Pointer Curie temperature (T{sub C}) was found to increase with increase in Ca-doping whereas the diffuseness of phase transition decreased. Black-Right-Pointing-Pointer Temperature

SU(3)xSU(2) color symmetry and Usub(B)(1)xSUsub(f)(4) quark model of hadrons

International Nuclear Information System (INIS)

Khrushchov, V.V.

1982-01-01

A quark model with a generalized color group SUsub(c)(3)xSU'sub(c)(2) is treated in the framework of the SUsub(f)(4)xUsub(B)(1) symnetry of strong interactions. The model contains twelve standard u, d, s, c quarks and new quarks belonging to representation 6 of the SU(4) group. The properties of new quarks are considered with respect to the color group and some properties of the exotic states, predicted by the model are presented

Synthesis and magnetic properties of ferrites spinels Mg{sub x}Cu{sub 1-x}Fe{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Mounkachi, O.; Hamedoun, M. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); Belaiche, M. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Laboratoire de Magnetisme, Materiaux Magnetiques, Microonde et Ceramique, Ecole Normale Superieure, Universite Mohammed V-Agdal, B.P. 9235, Ocean, Rabat (Morocco); Benyoussef, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); LMPHE, (URAC 12), Faculte des Sciences, Universite Mohammed V-Agdal, Rabat (Morocco); Masrour, R. [Laboratory of Materials, Process, Environment and Quality, Cady Ayad University, National School of Applied Sciences, Safi (Morocco); El Moussaoui, H. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE, (URAC 12), Faculte des Sciences, Universite Mohammed V-Agdal, Rabat (Morocco); Sajieddine, M., E-mail: hamedoun@hotmail.com [Faculte des Sciences et Techniques, Universite Moulay Slimane, Beni Mellal (Morocco)

2012-01-01

Polycrystalline Mg{sub 0.6}Cu{sub 0.4}Fe{sub 2}O{sub 4} ferrites have been prepared using solid-state reaction technique. Their structural and magnetic properties have been studied, using X-ray diffraction and magnetic measurements. Using mean field theory and high-temperature series expansions (HTSE), extrapolated with the pade approximants method, the magnetic properties of Mg{sub 1-x}Cu{sub x}Fe{sub 2}O{sub 4} have been studied. The nearest neighbor super-exchange interactions for intra-site and inter-site of the Mg{sub 1-x}Cu{sub x}Fe{sub 2}O{sub 4} ferrites spinels, in the range 0{<=}x{<=}1, have been computed using the probability approach, based on Moessbauer data. The Curie temperature T{sub c} is calculated as a function of Mg concentration. The obtained theoretical results are in good agreement with experimental ones obtained by magnetic measurements.

The crystal structure of a new ternary antimonide: TmCu4-xSb2 (x 1.065)

International Nuclear Information System (INIS)

Fedyna, L.O.; Bodak, O.I.; Fedorchuk, A.O.; Tokaychuk, Ya.O.

2005-01-01

The crystal structure of the new ternary compound TmCu 4-x Sb 2 (x 1.065) was determined by direct methods from X-ray powder data (diffractometer DRON-3M, Cu Kα-radiation). It crystallizes with the orthorhombic structure type ErFe 4 Ge 2 (low-temperature modification) and is the first representative of this structure type among known antimonides: space group Pnnm, Pearson code oP14-2.13, a = 7.00565(6) A, b = 7.83582(6) A, c = 4.25051(3) A, Z = 2. Investigated structure is an orthorhombically deformed derivative of the ZrFe 4 Si 2 structure type

Synthesis and characterization of Sr{sub 1-x}Ba{sub x}Bi{sub 4}Ti{sub 4}O{sub 15} ferroelectric materials

Energy Technology Data Exchange (ETDEWEB)

Xie Dan; Pan Wei; Shi Hui

2003-05-25

Sr{sub 1-x}Ba{sub x}Bi{sub 4}Ti{sub 4}O{sub 15} (SBBT, x=0, 0.2, 0.5, 0.8, 1.0) was prepared by sol-gel method using the salts of strontium (Sr), barium (Ba), bismuth (Bi) and titanium butoxide as sources. The mechanism of hydrolysis and polymetric reaction of precursor solution and the influence of annealing condition on crystal structure and microstructure of SBBT ferroelectric materials were studied by infrared (IR) spectroscopy, X-ray diffraction (XRD), and scanning electron microscopy (SEM). The results of the analysis indicated the formation of stable sol-gel system for SBBT when pH value of the solution was about 3.5. The crystallization temperature of SBBT powder was about 700 deg. C and the particle size was about 100 nm.

Synthesis and structural investigation of new Co1-xNixTeO4 (x = 0, 0.2, 0.5, 0.8 and 1) compounds

Science.gov (United States)

Patel, Akhilesh K.; Singh, Harishchandra; Suresh, K. G.

2018-05-01

The new polycrystalline compounds Co1-xNixTeO4 (x = 0, 0.2, 0.5, 0.8 and 1) were prepared by sol-gel method and their structural properties have been studied. Structural investigation through Rietveld method shows monoclinic structure with space group P21/c for all compounds. All compounds polyhedral structure found to be in octahedral form with cations (M) at the center and six oxygen atoms at corner of octahedral structure. The lattice parameters variation with Ni substitution are found to be decreasing with Ni substitution.

Structure elucidation of 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C₂₃H₁₈Cl₂N₄OS from synchrotron X-ray powder diffraction

Energy Technology Data Exchange (ETDEWEB)

Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betül

2017-12-01

The 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C₂₃H₁₈Cl₂N₄OS compound was synthesized, as a member of the family of novel potential anticancer agents. The structure of the title compound was characterized by IR,¹H-NMR, mass spectroscopy, and elemental analysis, previously. In this study, the crystal structure of this compound has been determined from synchrotron X-ray powder diffraction data. The crystal structure was solved by simulated annealing and the final structure was achieved by Rietveld refinement method using soft restrains on all interatomic bond lengths and angles. This compound crystallizes in space groupP21,Z= 2, with the unit-cell parametersa= 15.55645(11) Å,b= 8.61693(6) Å,c= 8.56702(6) Å,β= 104.3270(4)°, andV= 1112.68(1) ų. In the crystal structure, strong C-H∙∙∙πand weak intermolecular hydrogen-bonding interactions link the molecules into a three-dimensional network. The molecules are in a head-to-head arrangement in the unit cell.

Efficient UV-emitting X-ray phosphors: octahedral Zr(PO4)6 luminescence centers in potassium hafnium-zirconium phosphates K2Hf1-xZrx(PO4)2 and KHf2(1-x)Zr2x(PO4)3

International Nuclear Information System (INIS)

Torardi, C.C.; Miao, C.R.; Li, J.

2003-01-01

Potassium hafnium-zirconium phosphates, K 2 Hf 1-x Zr x (PO 4 ) 2 and KHf 2(1-x) Zr 2x (PO 4 ) 3 , are broad-band UV-emitting phosphors. At room temperature, they have emission peak maxima at approximately 322 and 305 nm, respectively, under 30 kV peak molybdenum X-ray excitation. Both phosphors demonstrate luminescence efficiencies that make them up to ∼60% as bright as commercially available CaWO 4 Hi-Plus. The solid-state and flux synthesis conditions, and X-ray excited UV luminescence of these two phosphors are discussed. Even though the two compounds have different atomic structures, they contain zirconium in the same active luminescence environment as that found in highly efficient UV-emitting BaHf 1-x Zr x (PO 4 ) 2 . All the three materials have hafnium and zirconium in octahedral coordination via oxygen-atom corner sharing with six separate PO 4 tetrahedra. This octahedral Zr(PO 4 ) 6 moiety appears to be an important structural element for efficient X-ray excited luminescence, as are the edge-sharing octahedral TaO 6 chains for tantalate emission

Thermal stability of Ni-Pt-Ta alloy silicides on epi-Si{sub 1-x}C{sub x}

Energy Technology Data Exchange (ETDEWEB)

Yoo, Jung-Ho; Chang, Hyun-Jin [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Min, Byoung-Gi [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Jusung Engineering Co., Ltd., 49, Neungpyeong-ri, Opo-eup, Gwangju-Si, Kyunggi-do 464-892 (Korea, Republic of); Ko, Dae-Hong [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)], E-mail: dhko@yonsei.ac.kr; Cho, Mann-Ho [Institute of Physics and Applied Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Sohn, Hyunchul [Department of Ceramic Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Tae-Wan [Jusung Engineering Co., Ltd., 49, Neungpyeong-ri, Opo-eup, Gwangju-Si, Kyunggi-do 464-892 (Korea, Republic of)

2008-12-05

We investigated the silicide formation in Ni/epi-Si{sub 1-x}C{sub x} systems. Ni-Pt and Ni-Pt-Ta films were deposited on epi-Si{sub 1-x}C{sub x}/Si substrates by DC magnetron sputtering and processed at various temperatures. The sheet resistance of the silicide from the Ni alloy/epi-Si{sub 1-x}C{sub x} systems was maintained at low values compared to that from Ni/Si systems. By TEM and EDS analyses, we confirmed the presence of a Pt alloy layer at the top of the Ni-silicide layer. The stability of the silicide layer in the Ni alloy/epi-Si{sub 1-x}C{sub x} system is explained by not only the Pt rich layer on the top of the Ni-silicide layer, but also by the presence of a small amount of Pt in the Ni-silicide layer or at the grain boundaries. And both the thermal stability and the morphology of silicide were greatly improved by the addition of Ta in Ni-Pt films.

Structural, magnetic, and dielectric properties of multiferroic Co1−xMgxCr2O4 nanoparticles

International Nuclear Information System (INIS)

Kamran, M.; Ullah, A.; Rahman, S.; Tahir, A.; Nadeem, K.; Anis ur Rehman, M.; Hussain, S.

2017-01-01

Highlights: • Properties of multiferroic Co 1−x Mg x Cr 2 O 4 nanoparticles have been studied. • XRD showed that CoCr 2 O 4 and MgCr 2 O 4 are cubic normal spinel structure. • Rietveld refinement of XRD showed no impurity phases. • T c and T s showed decreasing trend with increasing Mg concentration. • Dielectric properties were improved for x = 0.6 Mg concentration. - Abstract: We examined the structural, magnetic, and dielectric properties of Co 1−x Mg x Cr 2 O 4 nanoparticles with composition x = 0, 0.2, 0.4, 0.5, 0.6, 0.8 and 1 in detail. X-ray diffraction (XRD) revealed normal spinel structure for all the samples. Rietveld refinement fitting results of the XRD showed no impurity phases which signifies the formation of single phase Co 1−x Mg x Cr 2 O 4 nanoparticles. The average crystallite size showed a peak behaviour with maxima at x = 0.6. Raman and Fourier transform infrared (FTIR) spectroscopy also confirmed the formation of single phase normal spinel for all the samples and exhibited dominant vibrational changes for x ≥ 0.6. For x = 0 (CoCr 2 O 4 ), zero field cooled/field cooled (ZFC/FC) magnetization curves showed paramagnetic (PM) to ferrimagnetic (FiM) transition at T c = 97 K and a conical spiral magnetic order at T s = 30 K. The end members CoCr 2 O 4 (x = 0) and MgCr 2 O 4 (x = 1) are FiM and antiferromagnetic (AFM), respectively. T c and T s showed decreasing trend with increasing x, followed by an additional AFM transition at T N = 15 K for x = 0.6. The system finally stabilized and changed to highly frustrated AFM structure at x = 1 due to formation of pure MgCr 2 O 4 . High field FC curves (5T) depicted nearly no effect on spiral magnetic state, which is attributed to strong exchange B-B magnetic interactions at low temperatures. Dielectric parameters showed a non-monotonous behaviour with Mg concentration and were explained with the help of Maxwell-Wagner model and Koop’s theory. Dielectric properties were improved for

Structural Transition and Electrical Properties of (1 - x)(Na0.4K0.1Bi0.5)TiO3- xSrTiO3 Lead-Free Piezoceramics

Science.gov (United States)

Liu, Xing; Zhai, Jiwei; Shen, Bo; Li, Feng; Li, Peng

2017-10-01

(1 - x)(Na0.4K0.1Bi0.5)TiO3- xSrTiO3 (NKBT- xST) ceramics with x = 0 mol.%, 3 mol.%, and 5 mol.% (0ST, 3ST, and 5ST) have been prepared by a conventional solid-state reaction method and their ferroelectric, electrostrictive, and pyroelectric properties investigated. Addition of ST considerably disrupted the long-range ferroelectric order of NKBT- xST ceramics, and the 5ST ceramic exhibited ergodic relaxor phase structure. T FR shifted to near or below room temperature for 5ST ceramic, accompanied by a significant decline of ferroelectricity and enhanced strain. As the temperature approached T FR, the NKBT- xST ceramics exhibited predominantly electrostrictive effect, and the 5ST ceramic presented relatively high electrostrictive coefficient Q 33 of 0.0193 m4/C2. High pyroelectric response was observed for 0ST, 3ST, and 5ST ceramics in the vicinity of T FR due to the large polarization release during the ferroelectric-relaxor structural transition. The 5ST ceramic exhibited high and frequency-insensitive (100 Hz to 10 kHz) room-temperature pyroelectric properties with pyroelectric coefficient p of 656 μC m-2 K-1 and figures of merit F i, F v, and F d reaching 233 pm/V, 0.013 m2/C, and 7.61 μPa-1/2, respectively, indicating that 5ST ceramic is a promising candidate to replace PZT-based ceramics.

Extracting performance of cesium by 25,27-bis (2-propyloxy) calix[4]-26,28-crown-6 (iPr-C[4]C-6) in n-octanol

International Nuclear Information System (INIS)

Jianchen Wang; Xiaowen Zhu; Chongli Song

2005-01-01

In this work, the extraction of cesium (Cs + ) in nitric acid and in a simulated high level liquid waste (HLLW) by iPr-C[4]C-6 was investigate in the dilluent n-octanol. The slope of the extractant dependency equals 1, indicating that the complex has 1:1[Cs + .iPr-C[4]C-6]Cs + to ligand. 0.025mol/L iPr-C[4]C-6 in n-octanol (abbreviated to iPr-C[4]C-6-n-octanol) has a stronger extracting ability to Cs when acidities are between 1.0mol/L and 4.0mol/L. The stripping properties of Cs loading in 0.025mol/L iPr-C[4]C-6-n-octanol was studied. Cs loading in iPr-C[4]C-6-n-octanol can be stripped easily into the aqueous phase because the distribution ratios of Cs are lower than 0.5 when pH is between 2 and 10 in the aqueous phase. On above basis, the better parameters were selected and the cold cascade test for removing Cs from the simulated HLLW was investigated on miniature centrifugal contactors. The results of the test are attractive. The removing ratio of Cs from the simulated HLLW is 99.5% and the stripping ratio of Cs loading in 0.025mol/L iPr-C[4]C-6-n-octanol is 99.2%. The results show that 0.025mol/L iPr-C[4]C-6-n-octanol is an effective process for removing Cs from HLLW. (author)

V3-independent competitive resistance of a dual-X4 HIV-1 to the CXCR4 inhibitor AMD3100.

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Yosuke Maeda

Full Text Available A CXCR4 inhibitor-resistant HIV-1 was isolated from a dual-X4 HIV-1 in vitro. The resistant variant displayed competitive resistance to the CXCR4 inhibitor AMD3100, indicating that the resistant variant had a higher affinity for CXCR4 than that of the wild-type HIV-1. Amino acid sequence analyses revealed that the resistant variant harbored amino acid substitutions in the V2, C2, and C4 regions, but no remarkable changes in the V3 loop. Site-directed mutagenesis confirmed that the changes in the C2 and C4 regions were principally involved in the reduced sensitivity to AMD3100. Furthermore, the change in the C4 region was associated with increased sensitivity to soluble CD4, and profoundly enhanced the entry efficiency of the virus. Therefore, it is likely that the resistant variant acquired the higher affinity for CD4/CXCR4 by the changes in non-V3 regions. Taken together, a CXCR4 inhibitor-resistant HIV-1 can evolve using a non-V3 pathway.

Thermodynamics, dielectric permittivity and phase diagrams of the Rb1-x(NH4xH2PO4 type proton glasses

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S.I. Sorokov

2010-01-01

Full Text Available The cluster pseudospin model of proton glasses, which takes into account the energy levels of protons around the PO4 group, the long-range interactions between the hydrogen bonds, and an internal random deformational field is used to investigate thermodynamical characteristics, longitudinal and transverse dielectric permittivities of Rb1-x(ND4xD2PO4 and Rb1-x(NH4xH2AsO4 compounds. A review of experimental and theoretical works on the Rb1-x(NH4xH2PO4 type crystals is presented.

Synthesis and characterization of perovskite-type La1-yCayMn1-xB″xO3±δ nanomaterials (B″ = Ni, Fe; x = 0.2, 0.5; y = 0.4, 0.25)

Science.gov (United States)

Franke, Daniela; Trots, Dmytro; Vasylechko, Leonid; Vashook, Vladimir; Guth, Ulrich

2018-02-01

Perovskite-type nanomaterials of the compositions La1-yCayMn1-xB″xO3±δ with B'' = Ni, Fe; x = 0.2, 0.5 and y = 0.4, 0.25 were prepared using two different preparation routes (synthesis by precipitation and the PVA/sucrose method) at 500 °C-700 °C. The calcined products of the syntheses were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and physisorption measurements. The materials from the PVA/sucrose method contain particles with diameters from 33 nm to 48 nm, generate specific surface areas up to 33 m2/g and form pure compared to 45 nm-93 nm and up to 18 m2/g from precipitation method which contain a significant amount of sodium ions. The agglomeration process was analyzed for one nanomaterial (B'' = Fe, x = 0.2, y = 0.4) from the PVA/sucrose method using temperature dependent XRD showing only a slight growth (4.3%) of nanoparticles at 600 °C. The materials from the PVA/sucrose method turned out to be more suitable as electrode materials in electrochemical applications (SOFC, sensors) because of smaller particle sizes, higher specific surface areas and purity.

Luminescence properties of LiPrxCe1-xP4O12

International Nuclear Information System (INIS)

Shalapska, T.; Stryganyuka, G.; Trotsc, D.; Demkiv, T.; Gektin, A.; Voloshinovskii, A.; Dorenbos, P.

2010-01-01

LiPr 1-x Ce x P 4 O 12 (x=0, 0.002, 0.02; 0.1) powder samples were prepared using the melt solution technique. Luminescent parameters of LiPr 1-x Ce x P 4 O 12 phosphors have been investigated under ultraviolet-vacuum ultraviolet (3-12 eV) synchrotron radiation and X-rays excitation at room and near liquid He temperatures. Excitation luminescence spectra of Ce 3+ emission, luminescent spectra and decay curves from the lower excited state levels of the 4f 1 5d 1 and 5d 1 electronic configuration of the Pr 3+ and Ce 3+ , respectively, clearly indicate energy transfer from Pr 3+ to Ce 3+ . Energy migration proceeds via the Pr-sublattice followed by nonradiation transfer from Pr 3+ to Ce 3+ ions.

Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.

Science.gov (United States)

Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K

2015-09-18

The higher propensity of C-N over C-S bond forming ability was demonstrated, through formal C-H functionalization during the construction of 4,5-disubstituted 1,2,4-triazole-3-thiones from arylidenearylthiosemicarbazides catalyzed by Cu(II). However, steric factors imparted by the o-disubstituted substrates tend to change the reaction path giving thiodiazole as the major or an exclusive product. Upon prolonging the reaction time, the in situ generated thiones are transformed to 4,5-disubstituted 1,2,4-triazoles via a desulfurization process. Two classes of heterocycles viz. 4,5-disubstituted 1,2,4-triazole-3-thiones and 4,5-disubstituted 1,2,4-triazoles can be synthesized from arylidenearylthiosemicarbazides by simply adjusting the reaction time. Desulfurization of 1,2,4-triazole-3-thiones is assisted by thiophilic Cu to provide 1,2,4-triazoles with concomitant formation of CuS and polynuclear sulfur anions as confirmed from scanning electron microscope and energy dispersive X-ray spectroscopy measurements. A one-pot synthesis of an antimicrobial compound has been successfully achieved following this strategy.

The influence of Bi content on dielectric properties of Bi4–xTi3O12–1.5x ceramics

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Hui Gong

2017-06-01

Full Text Available A kind of lead-free dielectric materials, such as the bismuth layered perovskite-type structure of Bi4–xTi3O12–1.5x (x=0.04,0.02,0,–0.02,–0.04, was prepared by the conventional solid-state method at 800∘C and sintered at 1100∘C. The variation of structure and electrical properties with different Bi concentration was studied. All the Bi4–xTi3O12–1.5x (x=0.04,0.02,0,–0.02,–0.04 samples exhibited a single structured phase. SEM could be a better approach to present the microstructure of Bi4–xTi3O12–1.5x (x=0.04,0.02,0,–0.02,–0.04 ceramics. It could be found that the grain size of Bi4.02Ti3O12.03 sintered at 1100∘C was smaller than that of others among the five samples through grain size mechanics. Through impedance spectra analysis, we knew, when the Bi content was fixed, that the dielectric constant and the loss values increased with the decrease of frequency. The Curie temperature of the five samples was about 670∘C. In particular, while at the frequency of 100kHz, the lowest loss was 0.001 when Bi content was 3.98. The Bi4.02Ti3O12.03 ceramics with the minimum grain size had highest dielectric constant and the relatively low loss. Due to its high Curie temperature, high permittivity and low loss, the Bi4Ti3O12 (BIT ceramics have a broad application prospect in high density memory, generator, sensor, ferroelectric tunnel junctions and so on.

Thermomagnetic properties of Co1-x Zn x Fe2O4 (x=0.1-0.5) nanoparticles

International Nuclear Information System (INIS)

Arulmurugan, R.; Vaidyanathan, G.; Sendhilnathan, S.; Jeyadevan, B.

2006-01-01

Ultra fine particles of Co 1- x Zn x Fe 2 O 4 with stoichiometric proportion (x) varying from 0.1 to 0.5 were prepared by the usual co-precipitation method. The preparation procedure favored the formation of complex Co-Zn-substituted ferrite nanoparticles. The particles were characterized by XRD. The particle size was calculated by using the Debye-Scherrer formula. The size of the particles precipitated was less than 12 nm. Thermal studies were carried out using simultaneous TG-DTA studies. TG-DTA studies confirmed the presence of associated water content in the precipitated nanoparticles and indicated that ferritization was complete. The temperature-dependent magnetization was recorded at two different fields (5 and 1 kOe). Curie temperature of the powder samples was calculated by extrapolating the linear part of the temperature-dependent magnetization data measured at 1 kOe. Thermomagnetic coefficient which is the first derivative of the temperature-dependent magnetization curve help us in understanding the redistribution of cations between the A and B sites, taking place during the process of heating in the case of nanoparticles. The temperature at which cation redistribution takes place depends on the zinc concentration. From the value of thermomagnetic coefficient and the temperature range, where k T is maximum, it is clear that Co 0.5 Zn 0.5 Fe 2 O 4 particles can be used for the preparation of temperature-sensitive ferrofluid

Structural, magnetic, and dielectric properties of multiferroic Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Kamran, M.; Ullah, A. [Nanomagnetism and Nanotechnology Laboratory, International Islamic University, Islamabad 44000 (Pakistan); Rahman, S. [Department of Material Science and Engineering, University of Science and Technology of China Hefei, Anhui 230026 (China); Tahir, A. [Department of Physics, Quaid-e-Azam University, Islamabad 44000 (Pakistan); Nadeem, K., E-mail: kashif.nadeem@iiu.edu.pk [Nanomagnetism and Nanotechnology Laboratory, International Islamic University, Islamabad 44000 (Pakistan); Beijing National Laboratory for Condensed Matter Physics, National Laboratory for Superconductivity, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190 (China); Anis ur Rehman, M. [Applied Thermal Physics Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad 44000 (Pakistan); Hussain, S. [Magnetism Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad 44000 (Pakistan)

2017-07-01

Highlights: • Properties of multiferroic Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles have been studied. • XRD showed that CoCr{sub 2}O{sub 4} and MgCr{sub 2}O{sub 4} are cubic normal spinel structure. • Rietveld refinement of XRD showed no impurity phases. • T{sub c} and T{sub s} showed decreasing trend with increasing Mg concentration. • Dielectric properties were improved for x = 0.6 Mg concentration. - Abstract: We examined the structural, magnetic, and dielectric properties of Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles with composition x = 0, 0.2, 0.4, 0.5, 0.6, 0.8 and 1 in detail. X-ray diffraction (XRD) revealed normal spinel structure for all the samples. Rietveld refinement fitting results of the XRD showed no impurity phases which signifies the formation of single phase Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles. The average crystallite size showed a peak behaviour with maxima at x = 0.6. Raman and Fourier transform infrared (FTIR) spectroscopy also confirmed the formation of single phase normal spinel for all the samples and exhibited dominant vibrational changes for x ≥ 0.6. For x = 0 (CoCr{sub 2}O{sub 4}), zero field cooled/field cooled (ZFC/FC) magnetization curves showed paramagnetic (PM) to ferrimagnetic (FiM) transition at T{sub c} = 97 K and a conical spiral magnetic order at T{sub s} = 30 K. The end members CoCr{sub 2}O{sub 4} (x = 0) and MgCr{sub 2}O{sub 4} (x = 1) are FiM and antiferromagnetic (AFM), respectively. T{sub c} and T{sub s} showed decreasing trend with increasing x, followed by an additional AFM transition at T{sub N} = 15 K for x = 0.6. The system finally stabilized and changed to highly frustrated AFM structure at x = 1 due to formation of pure MgCr{sub 2}O{sub 4}. High field FC curves (5T) depicted nearly no effect on spiral magnetic state, which is attributed to strong exchange B-B magnetic interactions at low temperatures. Dielectric parameters showed a non-monotonous behaviour with

In vitro anti-Candida activity and single crystal X-ray structure of ({(1E-[3-(1H-imidazol-1-yl-1-phenylpropylidene]amino}oxy(4-nitrophenylmethanone

Directory of Open Access Journals (Sweden)

Mohamed I. Attia

2014-03-01

Full Text Available Synthesis, characterization, and anti-Candida activity of ({(E-[3-(1H-imidazol-1-yl-1-phenylpropylidene]amino}oxy(4-nitrophenylmethanone (4 are repor-ted. Compound 4 showed anti-Candida albicans activity (MIC = 0.6862 µmol/mL being nearly 5-fold more potent than the gold standard antifungal drug, fluconazole (MIC ˃ 3.265 µmol/mL, on the clinical isolates of Candida albicans. Single crystal X-ray structure of the title compound 4 confirmed its assigned (E-configuration. The compound crystallizes in the triclinic, P-1 (no. 2, a = 6.4633 (1 Å, b = 11.1063 (2 Å, c = 12.9872 (2 Å, α = 67.650 (1°, β = 86.415 (1°, γ = 86.776 (1°, V = 860.01 (3Å3, Z = 2, R(F = 0.046, wR(F2 = 0.139, T = 296 K. The crystal structure is stabilized by weak intermolecular C—H•••O hydrogen interactions.

Luminescence properties of LiSr2Y1-xLnxO4 (Ln=Eu,Tb,Tm) (0≤x≤1)

International Nuclear Information System (INIS)

Kubota, S.; Suzuyama, Y.; Yamane, H.; Shimada, M.

1998-01-01

Investigations of the luminescence properties of LiSr 2 Y 1-x Eu x O 4 , LiSr 2 Y 1-x Tb x O 4 and LiSr 2 Y 1-x Tm x O 4 (0≤x≤1) at room temperature are reported. These samples were synthesized by a solid state reaction. The excitation spectra of Tb 3+ emission in LiSr 2 Y 1-x Tb x O 4 (0≤x≤1) consist of broad bands corresponding to a transition between the 4f 8 and 4f 7 5d 1 states of Tb 3+ . The maximum intensity is situated at about 318 nm. This is at a much longer wavelength than those of other Tb 3+ doped phosphors. This is explained by a large offset of the adiabatic potential curve of the 4f 7 5d 1 state. (orig.)

New process of preparation, X-ray characterisation, structure and vibrational studies of a solid solution LiTiOAs 1-xP xO 4 (0⩽ x⩽1)

Science.gov (United States)

Chakir, M.; El Jazouli, A.; Chaminade, J. P.; Bouree, F.; de Waal, D.

2006-01-01

LiTiOAs 1-xP xO 4 (0⩽ x⩽1) compounds have been prepared using solutions of Li, Ti, As and P elements as starting products. Selected compositions have been investigated by powder X-ray or neutrons diffraction analysis, Raman and infrared spectroscopy. The structure of LiTiOAs 1-xP xO 4 ( x=0, 0.5 and 1) samples determined by Rietveld analysis is orthorhombic with Pnma space group. It is formed by a 3D network of TiO 6 octahedra and XO 4 ( X=As 1-xP x) tetrahedra where octahedral cavities are occupied by lithium atoms. TiO 6 octahedra are linked together by corners and form infinite chains along a-axis. Ti atoms are displaced from the centre of octahedral units in alternating short (1.700-1.709 Å) and long (2.301-2.275 Å) Ti-O bonds. Raman and infrared studies confirm the existence of Ti-O-Ti chains. Thermal stability of LiTiOAsO 4 has been reported.

SISTEMA DE CROMOSSOMOS SEXUAIS MÚLTIPLOS X1X1X2X2/X1X2Y NA MOSCA-DAS-FRUTAS Anastrepha sororcula (DIPTERA: TEPHRITIDAE

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Inês Regina de Araújo Moura Cunha

2014-08-01

Full Text Available Sistemas de cromossomos sexuais simples estão difundidos entre os Tephritidae do gênero Anastrepha. Espécies deste gênero apresentam enorme importância pelo impacto que causam em frutíferas cultivadas, sobretudo no nordeste do Brasil. Análises citogenéticas desenvolvidas em Anastrepha sororcula, através da análise da estrutura cariotípica e bandamento C revelaram a presença de um sistema de cromossomos sexuais múltiplos do tipo X1X1X2X2/X1X2Y nesta espécie. Enquanto as fêmeas apresentam um cariótipo homomórfico com 2n=12, os machos possuem 2n=11, onde se destaca um grande cromossomo Y despareado. O nível de divergência cariotípica da espécie A. sororcula do nordeste, com a presença de um sistema de cromossomos sexuais múltiplos, em relação às regiões central e sudeste do Brasil, podem indicar a ocorrência de impedimentos reprodutivos entre os exemplares das duas áreas e que possivelmente, como outros exemplos que existem neste gênero, A. sororcula constitua um complexo de espécies ainda não inteiramente definido. Palavras-chave: Alossomos, peste agrícola, citogenética de insetos, heterocromatina. DOI: http://dx.doi.org/10.18561/2179-5746/biotaamazonia.v4n2p1-4

Aggregation behavior of gemini pyrrolidine-based ionic liquids 1,1'-(butane-1,4-diyl)bis(1-alkylpyrrolidinium) bromide ([C(n)py-4-C(n)py][Br2]) in aqueous solution.

Science.gov (United States)

Zhang, Shaohua; Yan, Han; Zhao, Mingwei; Zheng, Liqiang

2012-04-15

Three gemini pyrrolidine-based ionic liquids, 1,1'-(butane-1,4-diyl)bis(1-alkylpyrrolidinium) bromide ([C(n)py-4-C(n)py][Br(2)], n=10, 12, 14), were synthesized. Their aggregation behavior in aqueous solution was systematically investigated by surface tension, electrical conductivity, and steady-state fluorescence. Compared with their corresponding monomers, N-alkyl-N-methylpyrrolidinium bromide (C(n)MPB), [C(n)py-4-C(n)py][Br(2)], have higher surface activity. The special structure of [C(n)py-4-C(n)py][Br(2)] that has a spacer in their hydrophilic head groups results in a lower surface excess concentration (Γ(max)) and a larger molecular cross-sectional area (A(min)). Electrical conductivity studies show a lower degree of counter-ion binding to the aggregates. A smaller aggregation number (N(agg)) is observed by the pyrene fluorescence quenching method. A series of thermodynamic parameters (ΔG(agg)(0),ΔH(agg)(0),-TΔS(agg)(0)) of aggregation derived from electrical conductivity indicate that the aggregation of [C(n)py-4-C(n)py][Br(2)] is enthalpy-driven, while aggregation of C(n)MPB is entropy-driven at low temperatures but enthalpy-driven at high temperatures. Copyright © 2012 Elsevier Inc. All rights reserved.

Accelerator mass spectrometry analysis of "1"4C-oxaliplatin concentrations in biological samples and "1"4C contents in biological samples and antineoplastic agents

International Nuclear Information System (INIS)

Toyoguchi, Teiko; Kobayashi, Takeshi; Konno, Noboru; Shiraishi, Tadashi; Kato, Kazuhiro; Tokanai, Fuyuki

2015-01-01

Accelerator mass spectrometry (AMS) is expected to play an important role in microdose trials. In this study, we measured the "1"4C concentration in "1"4C-oxaliplatin-spiked serum, urine and supernatant of fecal homogenate samples in our Yamagata University (YU) – AMS system. The calibration curves of "1"4C concentration in serum, urine and supernatant of fecal homogenate were linear (the correlation coefficients were ⩾0.9893), and the precision and accuracy was within the acceptance criteria. To examine a "1"4C content of water in three vacuum blood collection tubes and a syringe were measured. "1"4C was not detected from water in these devices. The mean "1"4C content in urine samples of 6 healthy Japanese volunteers was 0.144 dpm/mL, and the intra-day fluctuation of "1"4C content in urine from a volunteer was little. The antineoplastic agents are administered to the patients in combination. Then, "1"4C contents of the antineoplastic agents were quantitated. "1"4C contents were different among 10 antineoplastic agents; "1"4C contents of paclitaxel injection and docetaxel hydrate injection were higher than those of the other injections. These results indicate that our quantitation method using YU-AMS system is suited for microdosing studies and that measurement of baseline and co-administered drugs might be necessary for the studies in low concentrations.

Solvothermal synthesis and characterisation of new one-dimensional indium and gallium sulphides: [C1N4H26]0.5[InS2] and [C1N4H26]0.5[GaS2

International Nuclear Information System (INIS)

Vaqueiro, Paz

2006-01-01

Two new main group metal sulphides, [C 1 N 4 H 26 ] 0.5 [InS 2 ] (1) and [C 1 N 4 H 26 ] 0.5 [GaS 2 ] (2) have been prepared solvothermally in the presence of 1,4-bis(3-aminopropyl)piperazine and their crystal structures determined by single-crystal X-ray diffraction. Both compounds are isostructural and crystallise in the monoclinic space group P2 1 /n (Z=4), with a=6.5628(5), b=11.2008(9), c=12.6611(9) A and β=94.410(4) o (wR=0.035) for compound (1) and a=6.1094(5), b=11.2469(9), c=12.7064(10) A and β=94.313(4) o (wR=0.021) for compound (2). The structure of [C 1 N 4 H 26 ] 0.5 [MS 2 ] (M=In,Ga) consists of one-dimensional [MS 2 ] - chains which run parallel to the crystallographic a axis and are separated by diprotonated amine molecules. These materials represent the first example of solvothermally prepared one-dimensional gallium and indium sulphides. -- Graphical abstract: [C 1 N 4 H 26 ] 0.5 [InS 2 ] and [C 1 N 4 H 26 ] 0.5 [GaS 2 ], prepared under solvothermal conditions, consist of one-dimensional [MS 2 ] - chains separated by diprotonated 1,4-bis(3-aminopropyl)piperazine molecules

X-ray diffraction investigation of the sulphur induced 4x1 reconstruction of Ni(110)

DEFF Research Database (Denmark)

Foss, M.; Feidenhans'l, R.; Nielsen, M.

1993-01-01

The atomic structure of the Ni(110)4 x 1-S reconstruction has been determined on the basis of surface X-ray diffraction measurements. An analysis of the in-plane diffraction data shows that the model consists of Ni rows along the [001] direction, two for every 4 x 1 unit cell, corresponding to 0....

Synthesis and characterization of Sr{sub 2}Ir{sub 1-x}M{sub x}O{sub 4} (M=Ti, Fe, Co) solid solutions

Energy Technology Data Exchange (ETDEWEB)

Gatimu, Alvin J.; Berthelot, Romain; Muir, Sean; Sleight, Arthur W. [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States); Subramanian, M.A., E-mail: mas.subramanian@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States)

2012-06-15

The effects of Ti, Fe and Co substitutions for Ir on the structure and on the physical properties of Sr{sub 2}IrO{sub 4} are investigated. A complete solid solution Sr{sub 2}Ir{sub 1-x}Ti{sub x}O{sub 4} is obtained while both Fe and Co doping are relatively limited. In each case however, the c-axis cell parameter and the initial IrO{sub 6} octahedra tilting decreases with substitution. Doping with Ti, Fe and Co results in a decrease of the magnetic susceptibility and in an increase in the paramagnetic effective moment for Co and Fe doped samples and a suppression of the weak ferromagnetic ordering observed for Sr{sub 2}IrO{sub 4}. - Graphical abstract: Solid solutions of Sr{sub 2}Ir{sub 1-x}M{sub x}O{sub 4} (M=Ti, Fe, Co) have been synthesized and characterized by powder X-ray diffraction, magnetism and electrical measurements. Changes in the a parameter and decreases in both the c-axis cell parameters and the initial IrO{sub 6} octahedra tilting are found to be correlated. Highlights: Black-Right-Pointing-Pointer Solid Solutions of Sr{sub 2}Ir{sub 1-x}M{sub x}O{sub 4} (M=Ti, Fe, Co) are synthesized. Black-Right-Pointing-Pointer The Sr{sub 2}Ir{sub 1-x}Ti{sub x}O{sub 4} solid solution is complete while those of Fe and Co are relatively limited. Black-Right-Pointing-Pointer The change in a cell parameter with substitution is much less than that of the c parameter. Black-Right-Pointing-Pointer Decreased tilting and the smaller size of the M cation contrastingly affect the a parameter. Black-Right-Pointing-Pointer Doping results in a suppression of the weak ferromagnetic ordering in Sr{sub 2}IrO{sub 4}.

The synthesis of 5'-[14C1] and 3a, 4-[13C2] labelled panadiplon (U-78875; 3-(5'-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(1-methylethyl)-imidazo-[1,5a]-quinoxalin-4(5H)-one)

International Nuclear Information System (INIS)

Ackland, M.J.; Howard, M.R.; Dring, L.G.

1993-01-01

5'-[ 14 C 1 ]Panadiplon was prepared in 3 steps starting from [ 14 C 1 ]cyclopropane carboxylic acid and 3-(5'-cyano-1,2,4-oxadiazol-3-yl)-5-(1-methylethyl)-imidazo-[1,5a] -quinoxalin-4(5H)-one. 3a, 4-[ 13 C 2 ]Panadiplon was prepared in two steps from 13 C 2 -oxalic acid and N-1-(1-methylethyl)-o-phenylenediamine. The position of labelling was confirmed by the appearance of two coupled resonances (J C-C =80.59 Hz) at 121.95 and 154.39 ppm in the assigned 13 C-NMR spectrum. (Author)

1- 4 Falodun

African Journals Online (AJOL)

DR. AMIN

45.3. 2.31 (dd, J = 7.5, 12.8). CH2. 9. 70.7. 5.62 m. CH. 10. 122.9. 5.09 m. CH. 11. 131.2. -. C. 12. 25.5. 1.71 s. CH3. 13. 27.8. 1.30 s. CH3. 14. 16.8. 1.59 s. CH3. 15. 18.2. 1.70 s. CH3. CH3CO. 171.4. -. CH3. CH3CO. 20.2. 1.89 s. CH3. Organisms. Concentrations of seed extracts (mg/ml). 2.5. 5. 10. 20. 25. 50. 100. 200. E.coli.

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

Energy Technology Data Exchange (ETDEWEB)

Gunanto, Y. E., E-mail: yohanes.gunanto@uph.edu [Departement of Biology Education, Pelita Harapan University, Karawaci, Tangerang, 15811 (Indonesia); Jobiliong, E., E-mail: eric.jobiliong@uph.edu [Departement of Industrial Engineering, Pelita Harapan University, Karawaci, Tangerang, 15811 (Indonesia); Adi, Wisnu Ari, E-mail: dwisnuaa@batan.go.id [Centre for Sci. and Tech. of Adv. Materials, BATAN, Serpong, Tangerang Selatan, 15314 (Indonesia)

2016-03-11

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

4H-SiC Schottky diode arrays for X-ray detection

Energy Technology Data Exchange (ETDEWEB)

Lioliou, G. [Semiconductor Materials and Devices Laboratory, School of Engineering and Informatics, University of Sussex, Falmer, Brighton BN1 9QT (United Kingdom); Chan, H.K. [School of Electrical and Electronic Engineering, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom); Gohil, T. [Semiconductor Materials and Devices Laboratory, School of Engineering and Informatics, University of Sussex, Falmer, Brighton BN1 9QT (United Kingdom); Vassilevski, K.V.; Wright, N.G.; Horsfall, A.B. [School of Electrical and Electronic Engineering, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom); Barnett, A.M. [Semiconductor Materials and Devices Laboratory, School of Engineering and Informatics, University of Sussex, Falmer, Brighton BN1 9QT (United Kingdom)

2016-12-21

Five SiC Schottky photodiodes for X-ray detection have been electrically characterized at room temperature. One representative diode was also electrically characterized over the temperature range 20°C to 140 °C. The performance at 30 °C of all five X-ray detectors, in both current mode and for photon counting X-ray spectroscopy was investigated. The diodes were fabricated in an array form such that they could be operated as either a 2×2 or 1×3 pixel array. Although the devices showed double barrier heights, high ideality factors and higher than expected leakage current at room temperature (12 nA/cm{sup 2} at an internal electric field of 105 kV/cm), they operated as spectroscopic photon counting soft X-ray detectors uncooled at 30 °C. The measured energy resolution (FWHM at 17.4 keV, Mo Kα) varied from 1.36 to 1.68 keV among different diodes.

Phase stability predictions of Cr1−x, Mx)2(Al1−y, Ay)(C1−z, Xz) (M = Ti, Hf, Zr; A = Si, X = B)

International Nuclear Information System (INIS)

Shang, Lin; Music, Denis; Baben, Moritz to; Schneider, Jochen M

2014-01-01

The phase stability of (Cr 1−x , M x ) 2 (Al 1−y , A y )(C 1−z , X z ) (M = Ti, Hf, Zr; A = Si, X = B, space group P6 3 /mmc, prototype Cr 2 AlC) was studied using ab initio calculations. Based on the energy of mixing data as well as the density of states (DOS) analysis, (Cr 1−x , Zr x ) 2 AlC and (Cr 1−x , Hf x ) 2 AlC are predicted to be unstable, whereas (Cr 1−x , Ti x ) 2 AlC, Cr 2 (Al 1−y , Si y )C and Cr 2 Al(C 1−z , B z ) are predicted to be stable or metastable. The density of states analysis reveals that small differences in the position of the Fermi level alters the phase stability: (Cr 1−x , Zr x ) 2 AlC and (Cr 1−x , Hf x ) 2 AlC are predicted to be unstable or metastable as the Fermi level lies at a peak position. While the Cr dominated DOS for (Cr 1−x , Ti x ) 2 AlC plateaus at the Fermi level indicating stability. Implications of these results for the vapour phase condensation of self-healing Cr 2 AlC based materials are discussed. (paper)

Chelate-size effects on the structures, chemical behavior, properties, and catalytic activity of the new palladium(II)-allyl complexes [Pd(eta(3)-1-R-1-C3H4){FcCH=N-CH2-(CH2)(n)-NMe2}][PF6] {Fc = (eta(5)-C5H5)Fe(eta(5)-C5H4), n=2 or 1, and R-1 = h or ph}

NARCIS (Netherlands)

Pérez, S.; López, C.; Bosque, R.; Solans, X.; Font-Bardía, M.; Roig, A.; Molins, E.; van Leeuwen, P.W.N.M.; van Strijdonck, G.P.F.; Freixa, Z.

2008-01-01

The synthesis, X-ray crystal structures, and the study of the solution behavior of the palladium(II) allyl complexes [Pd(eta(3)-1R(1)-C3H4){FcCH=N-CH2-(CH2)(n)-NMe2}][PF6] {with Fc = (eta(5)-C5H5)Fe(eta(5)-C5H4), R-1 = H, and n = 2 (4) or 1 (5) or R-1 = Ph and n = 2 (6) or 1 (7)} are described. The

11B study of spin dynamics in Y/sub 1-x/RE/sub x/Rh4B4

International Nuclear Information System (INIS)

Kumagai, K.; Fradin, F.Y.

1982-06-01

There has been intense interest in re-entrance and coexistence in ternary rare earth magnetic superconductors of the form RE Rh 4 B 4 . Of particular interest in this investigation is the effect of the superconducting state on the RKKY (Yosida, 1957) coupling between RE ions. Since one expects the conduction electron spin susceptibility chi/sup e/(q) to be cut off for q - 1 for the RE moments in the superconducting state. This paper reports on the spin dynamics of the RE ions using the 11 B nuclear magnetic relaxation rate T 1- 1 in dilute Y/sub 1-x/RE/sub x/Rh 4 B 4 (RE = Gd and Er)

X-Ray diffraction and mu-Raman investigation of the monoclinic-orthorhombic phase transition in Th(1-x)U(x)(C(2)O(4))(2).2H(2)O solid solutions.

Science.gov (United States)

Clavier, Nicolas; Hingant, Nina; Rivenet, Murielle; Obbade, Saïd; Dacheux, Nicolas; Barré, Nicole; Abraham, Francis

2010-02-15

A complete Th(1-x)U(x)(C(2)O(4))(2).2H(2)O solid solution was prepared by mild hydrothermal synthesis from a mixture of hydrochloric solutions containing cations and oxalic acid. The crystal structure has been solved from twinned single crystals for x = 0, 0.5, and 1 with monoclinic symmetry, space group C2/c, leading to unit cell parameters of a approximately 10.5 A, b approximately 8.5 A, and c approximately 9.6 A. The crystal structure consists of a two-dimensional arrangement of actinide centers connected through bis-bidentate oxalate ions forming squares. The actinide metal is coordinated by eight oxygen atoms from four oxalate entities and two water oxygen atoms forming a bicapped square antiprism. The connection between the layers is assumed by hydrogen bonds between the water molecules and the oxygen of oxalate of an adjacent layer. Under these conditions, the unit cell contains two independent oxalate ions. From high-temperature mu-Raman and X-ray diffraction studies, the compounds were found to undergo a transition to an orthorhombic form (space group Ccca). The major differences in the structural arrangement concern the symmetry of uranium, which decreases from C2 to D2, leading to a unique oxalate group. Consequently, the nu(s)(C-O) double band observed in the Raman spectra recorded at room temperature turned into a singlet. This transformation was then used to make the phase transition temperature more precise as a function of the uranium content of the sample.

Transportation Career Field, AFSC 60XXX

Science.gov (United States)

1988-04-01

equipment, affixirg parachutes and extraction systems to airdrop loads, * rigging cargo on platforms for airdrops, assembling extraction systems and attaching...C Z= C4 (D Il L-. Ill CD Ill l "- 1i CD P-4J (i 0D CL .J wIX I- In V -i W I L 0e W Z-I -I 7-1 . C-) 1W ID .. C> LL w C) 10 C- = CDCt l 1) 0 < W...PERCENT MEMBERS PERFORMING PERCENT , MEMBERS ’ TASKS PERFORMING M1129 AFFIX PARACHUTES TO AIRDROP LOADS 99 M1149 RIG CARGO ON PLATFORMS FOR AIRDROPS 96

Crystalline-electric field of Pr(Os1-xRux)4Sb12

International Nuclear Information System (INIS)

Akita, H.; Yoshino, G.; Ochiai, A.

2006-01-01

High-quality single crystals of Pr(Os 1-x Ru x ) 4 Sb 12 were grown by the Sb self-flux method. Magnetic susceptibility χ(T) was measured precisely. The characteristic temperature T max , where χ(T) exhibits a maximum, varies as a function of Ru-content x but its functional form changes at around x=0.6 where competition of two types of superconductivity is suggested. Since T max is thought to be relevant to the splitting energy between a ground state and a first excited state, we analyzed χ(T) considering the crystalline electric field (CEF) of the T h symmetry. χ(T) is well fitted assuming a Γ 1 singlet ground state for all x values. As expected from T max , the energy of the first excited state (Γ 4 (2) ) changes its functional form at around x=0.6. Furthermore, the energies of the second and third excited states (Γ 4 (1) and Γ 23 ) exhibit a minimum at almost the same value of x=0.6. These results suggest that the CEF is related to the superconductivity in Pr(Os 1-x Ru x ) 4 Sb 12

Modulation-free bismuth-lead cuprate superconductors: BiPbSr1+xL1-xCuO6 and BiPbSr2Y1-xCaxCu2O8

International Nuclear Information System (INIS)

Manivannan, V.; Gopalakrishnan, J.; Rao, C.N.R.

1991-01-01

Modulation-free BiPbSrLCuO 6 (L=La, Pr, Nd) and BiPbSr 2 YCu 2 O 8 , which are isotypic with the n=1 and 2 members of the Bi 2 Sr 2 Ca n-1 Cu n O 2n+4 family, have been prepared and characterized. These parent compounds are nonsuperconducting, but when doped with holes by substitution chemistry give modulation-free superconducting cuprates of the general formulas BiPbSr 1+xL1-x CuO 6 and BiPbSr 2 Y 1-x Ca x Cu 2 O 8 , exhibiting maximum T c 's of 24 and 85 K, respectively. Significantly, the hole concentration at the maximum T c is 0.12 in the cuprate family with a single Cu-O layer and 0.22 in that with two Cu-O layers

Experimental and DFT evaluation of the 1H and 13C NMR chemical shifts for calix[4]arenes

Science.gov (United States)

Guzzo, Rodrigo N.; Rezende, Michelle Jakeline Cunha; Kartnaller, Vinicius; Carneiro, José Walkimar de M.; Stoyanov, Stanislav R.; Costa, Leonardo Moreira da

2018-04-01

The density functional theory is employed to determine the efficiency of 11 exchange-correlation (XC) functionals to compute the 1H and 13C NMR chemical shifts of p-tert-butylcalix[4]arene (ptcx4, R1 = C(CH3)3) and congeners using the 6-31G(d,p) basis set. The statistical analysis shows that B3LYP, B3PW91 and PBE1PBE are the best XC functionals for the calculation of 1H chemical shifts. Moreover, the best results for the 13C chemical shifts are obtained using the LC-WPBE, M06-2X and wB97X-D functionals. The performance of these XC functionals is tested for three other calix[4]arenes: p-sulfonic acid calix[4]arene (sfxcx4 - R1 = SO3H), p-nitro-calix[4]arene (ncx4, R1 = NO2) and calix[4]arene (cx4 - R1 = H). For 1H chemical shifts B3LYP, B3PW91 and PBE1PBE yield similar results, although B3PW91 shows more consistency in the calculated error for the different structures. For 13C NMR chemical shifts, the XC functional that stood out as best is LC-WPBE. Indeed, the three functionals selected for each of 1H and 13C show good accuracy and can be used in future studies involving the prediction of 1H and 13C chemical shifts for this type of compounds.

Reaction of hydrogen with the Laves phase (C14) TiCr{sub 1.78-x}Mn{sub x} compounds

Energy Technology Data Exchange (ETDEWEB)

Agresti, F. [Universita di Padova, Dipartimento di Ingegneria Meccanica, Settore Materiali and CNISM, via Marzolo 9, 35131 Padova (Italy); Lo Russo, S. [Universita di Padova, Dipartimento di Fisica and CNISM, via Marzolo 8, 35131 Padova (Italy); Maddalena, A.; Principi, G. [Universita di Padova, Dipartimento di Ingegneria Meccanica, Settore Materiali and CNISM, via Marzolo 9, 35131 Padova (Italy); Mazzolai, G. [Universita di Perugia, Dipartimento di Fisica, Via A. Pascoli 5, 06100 Perugia (Italy); Universita Telematica e-Campus, Via Isimbardi 10, Novedrate (Colombia) (Italy); Coluzzi, B.; Biscarini, A. [Universita di Perugia, Dipartimento di Fisica, Via A. Pascoli 5, 06100 Perugia (Italy); Mazzolai, F.M., E-mail: fabio.mazzolai@fisica.unipg.it [Universita di Perugia, Dipartimento di Fisica, Via A. Pascoli 5, 06100 Perugia (Italy); Tuissi, A. [Istituto per l' Energia e le Interfasi, CNR-IENI, C.so Promessi Sposi, 29, Lecco (Italy)

2009-09-15

The lattice constants a and c of the as cast hexagonal (C14) Laves phase TiCr{sub 1.78-x}Mn{sub x} (x = 0, 0.4, 0.6 and 0.8) have been measured by X-ray diffraction at room temperature as a function of the Mn content. It has been found that a decreases with increasing x while c remains almost unchanged. Being this alloy interesting as material for solid state hydrogen storage, pressure-composition isotherms have been traced on desorption mode for the H{sub 2} gas pressure and temperature varying from 10 to 0.01 MPa and from 209 to 307 K, respectively. From the temperature dependence of the plateau pressure the molar quantities {Delta}H-bar{sub H{sub 2}} and {Delta}S-bar{sub H{sub 2}} associated with the hydride decomposition have been determined as a function of the Mn content. With increasing x, both {Delta}H-bar{sub H{sub 2}} and {Delta}S-bar{sub H{sub 2}} progressively decrease, and the desorption pressure initially decreases (for x {<=} 0.4) then slightly increases. At the same time, the pseudo-plateaus become flatter.

Quaternary selenostannates Na{sub 2-x}Ga{sub 2-x}Sn{sub 1+x}Se{sub 6} and AGaSnSe{sub 4} (A=K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of AGaSnSe{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Hwang, S -J; Iyer, R G; Kanatzidis, M G

2004-10-01

The quaternary alkali-metal gallium selenostannates, Na{sub 2-x}Ga{sub 2-x}Sn{sub 1+x}Se{sub 6} and AGaSnSe{sub 4} (A=K, Rb, and Cs), were synthesized by reacting alkali-metal selenide, Ga, Sn, and Se with a flame melting-rapid cooling method. Na{sub 2-x}Ga{sub 2-x}Sn{sub 1+x}Se{sub 6} crystallizes in the non-centrosymmetric space group C2 with cell constants a=13.308(3) A, b=7.594(2) A, c=13.842(3) A, {beta}=118.730(4) deg., V=1226.7(5) A{sup 3}. {alpha}-KGaSnSe{sub 4} crystallizes in the tetragonal space group I4/mcm with a=8.186(5) A and c=6.403(5) A, V=429.1(5) A{sup 3}. {beta}-KGaSnSe{sub 4} crystallizes in the space group P2{sub 1}/c with cell constants a=7.490(2) A, b=12.578(3) A, c=18.306(5) A, {beta}=98.653(5) deg., V=1705.0(8) A{sup 3}. The unit cell of isostructural RbGaSnSe{sub 4} is a=7.567(2) A, b=12.656(3) A, c=18.277(4) A, {beta}=95.924(4) deg., V=1741.1(7) A{sup 3}. CsGaSnSe{sub 4} crystallizes in the orthorhombic space group Pmcn with a=7.679(2) A, b=12.655(3) A, c=18.278(5) A, V=1776.1(8) A{sup 3}. The structure of Na{sub 2-x}Ga{sub 2-x}Sn{sub 1+x}Se{sub 6} consists of a polar three-dimensional network of trimeric (Sn,Ga){sub 3}Se{sub 9} units with Na atoms located in tunnels. The AGaSnSe{sub 4} possess layered structures. The compounds show nearly the same Raman spectral features, except for Na{sub 2-x}Ga{sub 2-x}Sn{sub 1+x}Se{sub 6}. Optical band gaps, determined from UV-Vis spectroscopy, range from 1.50 eV in Na{sub 2-x}Ga{sub 2-x}Sn{sub 1+x}Se{sub 6} to 1.97 eV in CsGaSnSe{sub 4}. Cooling of the melts of KGaSnSe{sub 4} and RbGaSnSe{sub 4} produces only kinetically stable products. The thermodynamically stable product is accessible under extended annealing, which leads to the so-called {gamma}-form (BaGa{sub 2}S{sub 4}-type) of these compounds.

X-ray photoelectron spectroscopy study on Ba1-xEuxTiO3

International Nuclear Information System (INIS)

Lu, D.-Y.; Sugano, Mikio; Sun Xiuyun; Su Wenhui

2005-01-01

X-ray photoelectron spectroscopy is employed to study inner-shell core-level binding energies Eu 4d, Ti 2p and O 1s, Ba 3d for new single-phase Ba 1-x Eu x TiO 3 (0.1 ≤ x ≤ 0.4) samples prepared by solid state reaction at 4.0 GPa and 1090 deg. C. The peak positions of binding energies determined by linear background subtraction and Gaussian fit are presented. XPS analysis indicates that the mixed-valent Eu 3+ /Eu 2+ ions at A-site and Ti 4+ /Ti 3+ ions at B-site coexisted in the Ba 1-x Eu x TiO 3 powder surface, and the amount of Eu 2+ ions is equal to Eu 3+ ions

Synthesis, Structure, and Cyclocondensation of the 4,4,4-Trifluoro-3,3-dihydroxy-2-methyl-1-(thien-2-yl-1-butanone with Hydroxylamine and Hydrazine

Directory of Open Access Journals (Sweden)

Alex F. C. Flores

2018-01-01

Full Text Available The synthesis of 4,4,4-trifluoro-3,3-dihydroxy-2-methyl-1-(thien-2-ylbutan-1-one (3 through acylation of 1,1-dimethoxy-1-(thien-2-ylpropane (1 with trifluoroacetic anhydride and its reactions with hydroxylamine and hydrazine was investigated. X-ray structural analysis of new trifluoromethyl-substituted dielectrophile 3 revealed that this hydrate exists as a racemate with inter- and intramolecular O-H·O bonds. The crystal structure shows alignment along axis b of pair molecules with the same configuration of the O2-H·O1 bond. For 5(3-trifluoromethyl-4-methyl-3(5-(thien-2-yl-1H-pyrazole (4, obtained via cyclocondensation of precursor 2 and hydrazine hydrochloride, X-ray structural analysis indicated that its rings are almost planar (torsion angle N2-C5-C6-C7–5.4° and that S1 at the thienyl moiety is anti-periplanar to N2 (torsion angle N2-C5-C6-S1 176.01; no disorder effect was observed for the thienyl ring.

Phase equilibria in the Mo-Fe-P system at 800 °C and structure of ternary phosphide (Mo(1-x)Fe(x))3P (0.10 ≤ x ≤ 0.15).

Science.gov (United States)

Oliynyk, Anton O; Lomnytska, Yaroslava F; Dzevenko, Mariya V; Stoyko, Stanislav S; Mar, Arthur

2013-01-18

Construction of the isothermal section in the metal-rich portion (ternary phases: (Mo(1-x)Fe(x))(2)P (x = 0.30-0.82) and (Mo(1-x)Fe(x))(3)P (x = 0.10-0.15). The occurrence of a Co(2)Si-type ternary phase (Mo(1-x)Fe(x))(2)P, which straddles the equiatomic composition MoFeP, is common to other ternary transition-metal phosphide systems. However, the ternary phase (Mo(1-x)Fe(x))(3)P is unusual because it is distinct from the binary phase Mo(3)P, notwithstanding their similar compositions and structures. The relationship has been clarified through single-crystal X-ray diffraction studies on Mo(3)P (α-V(3)S-type, space group I42m, a = 9.7925(11) Å, c = 4.8246(6) Å) and (Mo(0.85)Fe(0.15))(3)P (Ni(3)P-type, space group I4, a = 9.6982(8) Å, c = 4.7590(4) Å) at -100 °C. Representation in terms of nets containing fused triangles provides a pathway to transform these closely related structures through twisting. Band structure calculations support the adoption of these structure types and the site preference of Fe atoms. Electrical resistivity measurements on (Mo(0.85)Fe(0.15))(3)P reveal metallic behavior but no superconducting transition.

1,4-Dioxane Remediation by Extreme Soil Vapor Extraction (XSVE). Screening-Level Feasibility Assessment and Design Tool in Support of 1,4-Dioxane Remediation by Extreme Soil Vapor Extraction (XSVE) ESTCP Project ER 201326

Science.gov (United States)

2017-10-01

USER GUIDE 1,4-Dioxane Remediation by Extreme Soil Vapor Extraction (XSVE) Screening-Level Feasibility Assessment and Design Tool in...Support of 1,4-Dioxane Remediation by Extreme Soil Vapor Extraction (XSVE) ESTCP Project ER-201326 OCTOBER 2017 Rob Hinchee Integrated Science...Technology, Inc. 1509 Coastal Highway Panacea, FL 32346 8/8/2013 - 8/8/2018 10-2017 1,4-Dioxane Remediation by Extreme Soil Vapor Extraction (XSVE) Screening

Synthesis and characterization of Sr2Ir1−xMxO4 (M=Ti, Fe, Co) solid solutions

International Nuclear Information System (INIS)

Gatimu, Alvin J.; Berthelot, Romain; Muir, Sean; Sleight, Arthur W.; Subramanian, M.A.

2012-01-01

The effects of Ti, Fe and Co substitutions for Ir on the structure and on the physical properties of Sr 2 IrO 4 are investigated. A complete solid solution Sr 2 Ir 1−x Ti x O 4 is obtained while both Fe and Co doping are relatively limited. In each case however, the c-axis cell parameter and the initial IrO 6 octahedra tilting decreases with substitution. Doping with Ti, Fe and Co results in a decrease of the magnetic susceptibility and in an increase in the paramagnetic effective moment for Co and Fe doped samples and a suppression of the weak ferromagnetic ordering observed for Sr 2 IrO 4 . - Graphical abstract: Solid solutions of Sr 2 Ir 1−x M x O 4 (M=Ti, Fe, Co) have been synthesized and characterized by powder X-ray diffraction, magnetism and electrical measurements. Changes in the a parameter and decreases in both the c-axis cell parameters and the initial IrO 6 octahedra tilting are found to be correlated. Highlights: ► Solid Solutions of Sr 2 Ir 1−x M x O 4 (M=Ti, Fe, Co) are synthesized. ► The Sr 2 Ir 1−x Ti x O 4 solid solution is complete while those of Fe and Co are relatively limited. ► The change in a cell parameter with substitution is much less than that of the c parameter. ► Decreased tilting and the smaller size of the M cation contrastingly affect the a parameter. ► Doping results in a suppression of the weak ferromagnetic ordering in Sr 2 IrO 4 .

Valent states of ions in CuCrsub(2(1-x))Vsub(2x)Ssub(4) solid solutions

International Nuclear Information System (INIS)

Prokopenko, V.K.; Prokhorenko, Yu.I.; Shemyakov, A.A.; Menshchikova, T.K.; Gubskaya, G.F.; Kalinnikov, V.T.; AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

1982-01-01

Using the NMR method electron configurations of ions in copper-chromium chalcogenide spinels, in which part of chromium ions is substituted for by vanadium ions: CuCrsub(2(1-x))Vsub(2x)Ssub(4) (x=0; 0.025; 0.05), have been studied. In CuCrsub(2(1-x))Vsub(2x)Ssub(4) at x [ru

Co-hydrothermal synthesis of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C nano-hybrid cathode material with enhanced electrochemical performance for lithium-ion batteries

International Nuclear Information System (INIS)

Zhang, Jun; Luo, Shaohua; Chang, Longjiao; Hao, Aimin; Wang, Zhiyuan; Liu, Yanguo; Xu, Qian; Wang, Qing; Zhang, Yahui

2017-01-01

Highlights: • A co-hydrothermal approach to synthesize LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material in water/PEG system is present. • The Mn_1_-_xMg_xPO_4 precursor is prepared by precipitation reaction. • Co-modified with Mg"2"+ doping and LiAlO_2 compositing strategies play an important role in improving the electronic conductivity and facilitating the diffusion of lithium ion. • LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material exhibits a high specific discharge capacity of 151.8 mAh/g at 0.05C. - Abstract: LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C is synthesized by a co-hydrothermal method in water/PEG system using Li_2CO_3, AAO and Mn_1_-_xMg_xPO_4 as raw material. The electronic structure and micromorphology of multi-component compound LiMn_1_-_xMg_xPO_4/C (x = 0, 1/24, 1/12, 1/6) and nano-hybrid LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C cathode materials are studied by first-principles calculation and experimental research including XRD, SEM, TEM. The calculated band gap of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4/C is 2.296 eV, which is lower than other percentages Mg"2"+ doping samples. Electrochemical tests exhibit LiMn_2_3_/_2_4Mg_1_/_2_4PO_4/C has better cycling performance and rate capability than other contents Mg"2"+ doping samples with the discharge capacity of 143.5 mAh/g, 141.5 mAh/g, 139.2 mAh/g and 136.3 mAh/g at 0.05C, 0.1C, 0.5C and 1C in order. After compositing and preparation of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material by co-hydrothermal route, the initial discharge capacity reaches up to 151.8 mAh/g, which suggests that co-modified with Mg"2"+ doping and LiAlO_2 compositing material can improve the electronic conductivity of LiMnPO_4/C by facilitating the lithium ion diffusion rate in the interior of the materials.

Extraction of vitexin from binahong (Anredera cordifolia (Ten.) Steenis) leaves using betaine - 1,4 butanediol natural deep eutectic solvent (NADES)

Science.gov (United States)

Mulia, Kamarza; Muhammad, Fajri; Krisanti, Elsa

2017-03-01

The leaves of binahong (Anredera cordifolia (Ten) Steenis) contain flavonoids as bioactive substances that have efficacy to treat wounds and diseases caused by bacteria. One of the flavonoids contained in the leaves is 8-glucopyranosyl-4'5'7-trihydroxyflavone or vitexin. Conventional extraction of flavonoids from leaves of binahong has been developed and usually using non-friendly organic solvent. To overcome these problems, a Natural Deep Eutectic Solvent (NADES) is used to replace the conventional organic solvents, as it is an environmentally friendly, non-toxic and high boiling point solvent. In this study, a betaine-based NADES combined with 1,4-butanediol in 1:3 mole ratio was used as the extraction solvent. Vitexin in the extract was analyzed qualitatively and quantitatively using an HPLC. The extraction of vitexin from binahong leaves at room temperature (27 °C) for four hours give yield of 46 ppm, much lower than 200 ppm yield obtained after extraction at 55 °C for 90 minutes. This results showed that (a) NADES consisting of betaine and 1,4 butanediol is a promising green solvent for extraction of vitexin from binahong leaves, and, (b) the extraction can be performed above ambient temperature, as long as it does not exceed the degradation temperature of the bioactive compound extracted.

Neutron diffraction studies of Ho1-xYxNi2B2C compounds

DEFF Research Database (Denmark)

Chang, L.J.; Tomy, C.V.; Paul, D.M.K.

1996-01-01

Neutron diffraction measurements have been carried out to investigate the nature of magnetic ordering in Ho(1-x)Y(x)Ni(2)B(2)C (x = 0, 0.1 and 0.2) compounds. HoNi(2)B(2)C shows a complex type of magnetic ordering below the superconducting transition, with a commensurate antiferromagnetic ordering...

EXAFS analysis of cations distribution in structure of Co1-xNixFe2O4 nanoparticles obtained by hydrothermal method in aloe vera extract solution

Science.gov (United States)

Wongpratat, Unchista; Maensiri, Santi; Swatsitang, Ekaphan

2016-09-01

Effect of cations distribution upon EXAFS analysis on magnetic properties of Co1-xNixFe2O4 (x = 0, 0.25, 0.50, 0.75 and 1.0) nanoparticles prepared by the hydrothermal method in aloe vera extract solution were studied. XRD analysis confirmed a pure phase of cubic spinel ferrite of all samples. Changes in lattice parameter and particle size depended on the Ni content with partial substitution and site distributions of Co2+, Ni2+ ions of different ionic radii at both tetrahedral and octahedral sites in the crystal structure. Particle sizes of samples estimated by TEM images were found to be in the range of 10.87-62.50 nm. The VSM results at room temperature indicated the ferrimagnetic behavior of all samples. Superparamagnetic behavior was observed in NiFe2O4 sample. The coercivity (Hc) and remanance (Mr) values were related to the particle sizes of samples. The saturation magnetization (Ms) was increased by a factor of 1.4 to a value of 57.57 emu/g, whereas the coercivity (Hc) was decreased by a factor of 20 to a value of 63.15 Oe for a sample with x = 0.75. In addition to the cations distribution, the increase of aspect ratio (surface to volume ratio) due to the decrease of particle size could significantly affect the magnetic properties of the materials.

Ferri-magnetic order in Mn induced spinel Co_3_−_xMn_xO_4 (0.1≤x≤1.0) ceramic compositions

International Nuclear Information System (INIS)

Meena, P.L.; Sreenivas, K.; Singh, M.R.; Kumar, Ashok; Singh, S.P.; Kumar, Ravi

2016-01-01

We report structural and magnetic properties of spinel Co_3_−_xMn_xO_4 (x=0.1–1.0) synthesized by solid state reaction technique. Rietveld refinement analysis of X-ray diffraction (XRD) data, revealed the formation of polycrystalline single phase Co_3_−_xMn_xO_4 without any significant structural change in cubic crystal symmetry with Mn substitution, except change in lattice parameter. Temperature dependent magnetization data show changes in magnetic ordering temperature, indicating formation of antiferromagnetic (AFM) and ferrimagnetic (FM) phase at low Mn concentration (x≤0.3) and well-defined FM phase at high Mn concentration (x≥0.5). The isothermal magnetization records established an AFM/FM mixed phase for composition ranging 0.1 0.5. - Highlights: • Synthesis of single phase polycrystalline Co_3_−_xMn_xO_4 ceramic. • Change in magnetic ordering with varying Mn concentration. • The complex spin distribution is contributing to FM ordering with higher Mn.

Alloying effects on structural and thermal behavior of Ti{sub 1-x}Zr{sub x}C: A first principles study

Energy Technology Data Exchange (ETDEWEB)

Chauhan, Mamta, E-mail: mamta-physics@yahoo.co.in; Gupta, Dinesh C., E-mail: sosfizix@gmail.com [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior – 474 011(India)

2016-05-06

The formation energy, equilibrium lattice parameter, bulk modulus, Debye temperature and heat capacity at constant volume have been calculated for TiC, ZrC, and their intermediate alloys (Ti{sub 1-x}Zr{sub x}C, x = 0,0.25.0.5,0.75,1) using first principles approach. The calculated values of lattice parameter and bulk modulus agree well with the available experimental and earlier theoretical reports. The variation of lattice parameter and bulk modulus with the change in concentration of Zr atom in Ti{sub 1-x}Zr{sub x}C has also been reported. The heat capacities of TiC, ZrC, and their intermediate alloys have been calculated by considering both vibrational and electronic contributions.

Adsorption configurations of hydrocarbon ring molecules on GaAs(001)-c(4 x 4)

Energy Technology Data Exchange (ETDEWEB)

Passmann, R.; Bruhn, T.; Esser, N.; Vogt, P. [Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany); ISAS, Institute for Analytical Sciences, Department Berlin, Berlin (Germany); Nilsen, T.A.; Fimland, B.O. [Department of Electronics and Telecomunications, Norwegian University of Science and Technology, Trondheim (Norway); Kneissl, M. [Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany)

2009-07-15

The understanding of self-assembly and bonding mechanisms of organic molecules on semiconductor surfaces represents a central research aspect in the investigation of novel organic/inorganic interfaces and their technological applicability. Here, we investigated the adsorption and bond formation of cyclopentene and 1,4-cyclohexadiene on a GaAs(001)-c(4 x 4) surface in order to clarify the influence of the number of intra-molecular C=C double bonds on the respective adsorption sites. For a determination of the adsorption configuration, the interfaces were characterized electronically and optically by synchrotron based X-ray photoelectron spectroscopy (SXPS), low energy electron diffraction (LEED) and reflectance anisotropy spectroscopy (RAS). The results reveal significantly different adsorption configurations for the two molecules. While cyclopentene bonds with a single covalent bond to the surface, 1,4-cyclohexadiene adsorbs onto the surface by the formation of multiple covalent bonds, e.g. bridge bonds. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Two-step photoconductivity in LiY x Lu1 - x F4:Ce,Yb crystals

Science.gov (United States)

Nurtdinova, L. A.; Korableva, S. L.; Leontiev, A. V.

2016-10-01

Photoconductivity of LiY x Lu1- x F4:Ce,Yb ( x = 0-1) crystals is measured under one- and two-step excitation. It is established that the photoconductivity is due to intra-center transitions from excited states of Ce3+ ions. The position of the ground 4 f-state of Ce3+ ion relative to the bottom of the conduction band is determined. The choice of pumping conditions to obtain the lasing on the 5 d-4 f transitions of trivalent cerium in these active media is substantiated.

Electrochemical characterization of Pt-CeO{sub 2}/C and Pt-Ce{sub x}Zr{sub 1-x}O{sub 2}/C catalysts for ethanol electro-oxidation

Energy Technology Data Exchange (ETDEWEB)

Bai, Yuxia; Qiu, Xinping; Xi, Jingyu; Wang, Jianshe; Li, Jinfeng; Zhu, Wentao; Chen, Liquan [Key Laboratory of Organic Optoelectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084 (China); Wu, Jianjun [Key Laboratory of Organic Optoelectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084 (China); Department of Chemistry, Shijiazhuang College, Shijiazhuang 050801 (China)

2007-04-24

Pt-CeO{sub 2}/C and a series of Pt-Ce{sub x}Zr{sub 1-x}O{sub 2}/C catalyst powders with different Ce/Zr ratio were prepared and evaluated in terms of the electrochemical activity for ethanol electro-oxidation using cyclic voltammetry (CV), steady state polarization experiments and CO-stripping technique at room temperature. XRD results show that Ce{sub x}Zr{sub 1-x}O{sub 2} and Pt coexist in the Pt-Ce{sub x}Zr{sub 1-x}O{sub 2}/C catalyst and Ce{sub x}Zr{sub 1-x}O{sub 2} has no effect on the crystalline lattice of Pt. TEM results show that the Pt and Ce{sub x}Zr{sub 1-x}O{sub 2} particles dispersed uniformly over the surface of the carbon black. Cyclic voltammetry results show that the mass activity and specific activity of Pt-CeO{sub 2}/C for ethanol electro-oxidation is higher than that of Pt/C. The structure and Ce/Zr ratio of Pt-Ce{sub x}Zr{sub 1-x}O{sub 2}/C has effect on the catalytic activity of catalysts. CO-stripping voltammetry showed that the inclusion of CeO{sub 2} and Ce{sub x}Zr{sub 1-x}O{sub 2} favors the CO oxidation at lower potential. (author)

Weak mixing angle and the SU(3)CxSU(3) model on M4xS1/(Z2xZ'2)

International Nuclear Information System (INIS)

Li Tianjun; Wei Liao

2002-05-01

We show that the desirable weak mixing angle sin 2 θ W =0.2312 at m Z scale can be generated naturally in the SU(3) C xSU(3) model on M 4 xS 1 /(Z 2 x Z 2 ') where the gauge symmetry SU(3) is broken down to SU(2) L xU(1) Y by orbifold projection. For a supersymmetric model with a TeV scale extra dimension, the SU(3) unification scale is about hundreds of TeVs at which the gauge couplings for SU(3) C and SU(3) can also be equal in the mean time. For the non-supersymmetric model, SU(2) L xU(1) Y are unified at order of 10 TeV. These models may serve as good candidates for physics beyond the SM or MSSM. (author)

Study of magneto-optic effect on Mn{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} nanoferrofluids

Energy Technology Data Exchange (ETDEWEB)

Karthick, R. [Department of Physics, PSNA College of Engineering and Technology, Dindigul – 624622 (India); Ramachandran, K. [School of Physics, Madurai Kamaraj University, Madurai - 625021 (India); Srinivasan, R., E-mail: r-srini2067@yahoo.co.in [Department of Physics, Thiagarajar College, Madurai – 625009 (India)

2016-05-23

Mn{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} nanoparticles (with x varying as 0.1, 0.3, 0.5, 0.7 and 0.9) have been synthesized by co- precipitation method using polyvinyl alcohol as surfactant. Structural analysis and surface morphology of the samples were analysed using X-ray diffraction and scanning electron microscope respectively. The Scherer approximation was used to obtain crystallite sizes and found to decrease from 8.9 nm to 4.3 nm with increase in zinc substitution. The chemical composition of samples obtained through EDAX was comparable with the initial substitutions. Saturation magnetization (M{sub s}), Remanence (M{sub r}) and Coercivity (H{sub c}) were measured using VSM at room temperature and found to decrease with increase in zinc substitution. Verdet constant of the samples are obtained from Faraday rotation for various magnetic fields and it varies from 18 × 10{sup −4} to 3 × 10{sup −4}deg/Gcm with zinc substitution.

Synthesis of the mevalonic acid labelled with "1"4C, "1"3C and "3H

International Nuclear Information System (INIS)

Rousseau, Bernard

1982-01-01

This thesis describes five new methods of synthesis of the (R,S) mevalonic acid adapted to the labelling with "1"4C and "1"3C in positions 4,5 or 5 or 3', or with tritium in position 3'. Three of them use the tri-oxa-2,4,10 adamantyl group as masked carboxyl function. The two others take benefit from the regioselectivity of the bis-hydro-boration of terminal acetylenics by the 9-borabicyclo [3-3-1]nonane. The acylation of the bis-trimethylsilyl lithiomalonate, and the chemistry of dithiannes are also involved. Acetylene and methyl iodide labelled with isotopes are used as cheap base products [fr

Experimental and theoretical investigations for site preference and anisotropic size change of RE{sub 11}Ge{sub 4}In{sub 6−x}M{sub x} (RE = La, Ce; M = Li, Ge; x = 1, 1.96)

Energy Technology Data Exchange (ETDEWEB)

Jeon, Beom-Yong; Jeon, Jieun [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of); Lee, Junseong [Department of Chemistry, Chonnam National University, Gwangju, Chonnam 500-757 (Korea, Republic of); Kim, Jongsik [Department of Chemistry, Dong-A University, Pusan 604-714 (Korea, Republic of); You, Tae-Soo [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of)

2015-01-25

Graphical abstract: Reported is experimental and theoretical studies to understand the site-preference between anionic elements and the anisotropic size-change of the 3-D anionic frameworks of two polar intermetallic compounds in the RE{sub 11}Ge{sub 4}In{sub 6−x}M{sub x} (RE = La, Ce; M = Li, Ge; x = 1, 1.96) phase. Indium atoms with a smaller electronegativity prefer to occupy the “dumbbell-site” having the smaller QVAL value, and the anisotropic size-change of the anionic framework in La{sub 11}Ge{sub 4}In{sub 5.00(1)}Li{sub 1.00} is rationalized by using various COHP curves analyses. - Highlights: • Site-preference between anions was elucidated by the QVAL value of each site. • Ten models with different atomic orderings were examined by coloring problems. • COHP curves explained the anisotropic size-change of La{sub 11}Ge{sub 4}In{sub 5.00(1)}Li{sub 1.00}. - Abstract: Two polar intermetallic compounds in the RE{sub 11}Ge{sub 4}In{sub 6−x}M{sub x} (RE = La, Ce; M = Li, Ge; x = 1, 1.96) series have been synthesized by conventional high-temperature reactions and characterized by both single-crystal and powder X-ray diffractions. Both compounds crystallized in the tetragonal crystal system (space group I4/mmm, Z = 4, Pearson symbol tI84) with nine crystallographically independent atomic positions in the asymmetric unit and adopted the Sm{sub 11}Ge{sub 4}In{sub 6}-type structure, which can be considered as an ordered version of the Ho{sub 11}Ge{sub 10}-type. The lattice parameters are a = 11.8370(4) Å and c = 17.2308(7) Å for La{sub 11}Ge{sub 4}In{sub 5.00(1)}Li{sub 1.00}; a = 11.8892(4) Å, c = 16.5736(7) Å for Ce{sub 11}Ge{sub 5.96(3)}In{sub 4.04}. The overall crystal structures of two isotypic compounds can be described as a combination of the cage-shaped 3-dimensional (3-D) anionic framework and three different types of cationic polyhedra filling the inside of the 3-D frameworks. Anionic elements consisting of the frameworks indicate the

Oxidation of methanol on perovskite-type La{sub 2-x}Sr{sub x}NiO{sub 4} (0 {<=} x {<=} 1) film electrodes modified by dispersed nickel in 1 M KOH

Energy Technology Data Exchange (ETDEWEB)

Singh, R.N.; Singh, A.; Mishra, D.; Anindita [Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005 (India); Chartier, P. [Laboratoire d' Electrochimie et Chimie Physique du Corps Solide, Institut de Chimie LC3-UMR7177 CNRS/ULP, Universite Louis Pasteur, 67000, Strasbourg (France)

2008-12-01

Finely-dispersed nickel particles are electrodeposited on high surface-area perovskite-type La{sub 2-x}Sr{sub x}NiO{sub 4} (0 {<=} x {<=} 1) electrodes for possible use in a direct methanol fuel cell (DMFC). The study is conducted by cyclic voltammetry, chronoamperometry, impedance spectroscopy and anodic Tafel polarization techniques. The results show that the apparent electrocatalytic activities of the modified oxide electrodes are much higher than those of unmodified electrodes under similar experimental conditions; the observed activity is the greatest with the modified La{sub 1.5}Sr{sub 0.5}NiO{sub 4} electrode. At 0.550 V (vs. Hg vertical stroke HgO) in 1 M KOH + 1 M CH{sub 3}OH at 25 C, the latter electrode delivers a current density of over 200 mA cm{sup -2}, whereas other electrodes of the series produce relatively low values (65-117 mA cm{sup -2}). To our knowledge, such high methanol oxidation current densities have not been reported on any other non-platinum electrode in alkaline solution. Further, the modified electrodes are not poisoned by methanol oxidation intermediates/products. (author)

Ab initio pseudopotential calculations for the electronic and geometric structures of hydrogen covered Si(1 1 4)-(2x1)

International Nuclear Information System (INIS)

Smardon, R.D.; Srivastava, G.P.

2004-01-01

Using a first principles pseudopotential method we have studied the adsorption of H on the high index Si(1 1 4)-(2x1) surface within the local density approximation. This stable surface is found to be both chemically and electronically passivated by two different coverages of hydrogen: 1.0 ML and 1.5 ML. For the 1.0 ML coverage all the A- and B-type dimer bond lengths have equalised to 2.40 Angst and the rebonded lengths are slightly longer at 2.48 Angst. Hydrogen passivation, for both coverages, leads the surface bands of the clean Si(1 1 4)-(2x1) surface to move into the bulk valence and conduction bands. Differences in the density of states for the clean, 1.0 ML and 1.5 ML coverages were observed and are discussed

1/4-BPS M-theory bubbles with SO(3) x SO(4) symmetry

International Nuclear Information System (INIS)

Kim, Hyojoong; Kim, Kyung Kiu; Kim, Nakwoo

2007-01-01

In this paper we generalize the work of Lin, Lunin and Maldacena on the classification of 1/2-BPS M-theory solutions to a specific class of 1/4-BPS configurations. We are interested in the solutions of 11 dimensional supergravity with SO(3) x SO(4) symmetry, and it is shown that such solutions are constructed over a one-parameter familiy of 4 dimensional almost Calabi-Yau spaces. Through analytic continuations we can obtain M-theory solutions having AdS 2 x S 3 or AdS 3 x S 2 factors. It is shown that our result is equivalent to the AdS solutions which have been recently reported as the near-horizon geometry of M2 or M5-branes wrapped on 2 or 4-cycles in Calabi-Yau threefolds. We also discuss the hierarchy of M-theory bubbles with different number of supersymmetries

New methods for the preparation and dielectric properties of La{sub 2−x}Sr{sub x}NiO{sub 4} (x = 1/8) ceramic

Energy Technology Data Exchange (ETDEWEB)

Chupakhina, T.I., E-mail: chupakhina@ihim.uran.ru [Institute of Solid State Chemistry, UB RAS, 91, Pervomaiskaya str., Ekaterinburg 620990 (Russian Federation); Kadyrova, N.I. [Institute of Solid State Chemistry, UB RAS, 91, Pervomaiskaya str., Ekaterinburg 620990 (Russian Federation); Melnikova, N.V. [Ural Federal University, 19, Mira str., Ekaterinburg (Russian Federation); Gyrdasova, O.I. [Institute of Solid State Chemistry, UB RAS, 91, Pervomaiskaya str., Ekaterinburg 620990 (Russian Federation); Yakovleva, E.A. [Ural Federal University, 19, Mira str., Ekaterinburg (Russian Federation); Zainulin, Yu.G. [Institute of Solid State Chemistry, UB RAS, 91, Pervomaiskaya str., Ekaterinburg 620990 (Russian Federation)

2016-05-15

Highlights: • A new fuel in solution combustion synthesis of fine powder La{sub 15/8}Sr{sub 1/8}NiO{sub 4}. • Changes in the morphology of the ceramic La{sub 15/8}Sr{sub 1/8}NiO{sub 4} after thermobaric treatment. • Changes in structural parameters of the La{sub 15/8}Sr{sub 1/8}NiO{sub 4} after thermobaric treatment. • Increase of the dielectric constant of the thermobaric treated ceramic La{sub 15/8}Sr{sub 1/8}NiO{sub 4}. • Using of dielectric modulus and impedance formalisms, of equivalent circuits method. - Abstract: The perovskite-type oxide La{sub 2−x}Sr{sub x}NiO{sub 4} (x = 1/8) was prepared by a new precursor route. The reaction proceeds in the self-ignition mode. Single-phase powder and gas-tight ceramic samples can be produced by single annealing of decomposition products. It was shown that as a result of thermobaric treatment of La{sub 2−x}Sr{sub x}NiO{sub 4} (x = 1/8) the solid solution La{sub 2−x}Sr{sub x}NiO{sub 4} with a higher concentration of strontium and the second phase La{sub 3}Ni{sub 2}O{sub 7} are formed. Short-term (5 min) thermobaric treatment (P = 2.5 GPa) at t° = 900 °C changes the unit cell parameters, but is not accompanied by structural transitions. At the same time, morphological restructuring of the sample occurs—the agglomerates delaminate into thin plates crystals. It was established that the permittivity of the material exposed to thermobaric treatment is much higher compared to that of the sample annealed at atmospheric pressure and virtually does not depend on frequency in a wide temperature range.

Crystallisation kinetics of amorphous Fe72.5-xCu1Nb4.5Si10+x+yB12-y alloy

International Nuclear Information System (INIS)

Miglierini, M.; Lipka, J.; Sitek, J.

1994-01-01

Fe 73.5 Cu 1 Nb 3 Si 13.5 B 9 and Fe 72.5-x Cu 1 Nb 4.5 Si 10+x+y B 12-y alloys are compared from the point of view of crystallisation behaviour and changes in the short-range order in the amorphous reminder. The increase in Nb to 4.5 at.% in the latter system slows down the formation of nanocrystals to approximately 40% even after 16 hours of anneal at 550 C for x = 0.5, y = 3. Segregation-induced changes in the short-range order are manifested via hyperfine field distributions corresponding to the amorphous reminder. (orig.)

N +-implantation induced enhanced adhesion in WC1-x/Ti-6Al-4V

Science.gov (United States)

Laidani, Nadhira; Dorigoni, Carla; Miotello, Antonio

1996-12-01

In this work, the potentiality of the N +-implantation to promote adhesion in WC1-x/Ti-6Al-4V bilayers has been investigated. The WC 1- x films were deposited by rf sputtering in Ar discharge. N +-implantations were performed at 160 keV with ion dose ranging from 5 × 10 15 to 2 × 10 17N +/cm 2. The implantations have been carried out at two sample temperatures: 363 K and 423 K. Adhesion strength was measured by means of the scratch test in conjunction with scanning electron microscopy and energy dispersive spectrometry (EDS). Auger electron spectroscopy (AES), Rutherford backscattering spectrometry (RBS) and X-ray diffraction (XRD) analyses were used to study the chemical, compositional and structural changes of the WC1-x/Ti-6Al-4V interface. As a general result, N +-implantation modifies the adhesion failure mechanism which from adhesive, before implantation, becomes cohesive. The implantation temperature had a strong effect on the critical loads Lc. N +-implantation at 423 K resulted in a slight increase of Lc, from 2N (unimplanted systems) to 5N for all ion doses. This weak improvement of the adhesion strength was associated with the particular interface processes which allowed C, but not W, mixing into the substrate. In this case, TiC bondings formed which contributed to the substrate embrittlement. When the implantations were carried out at 363 K, both C and W underwent mixing with Ti-6Al-4V: this favoured not only an interface composition grading but also a graded chemistry across the interface, with a strong increase of Lc for low ion dose ( Lc = 14N for 1 × 10 16 N +/cm 2). Implantation with higher doses (5 × 10 16N -/cm 2 and 2 × 10 17N +/cm 2) exhibited lower efficiency ( Lc = 7N for 2 × 10 17 N +/cm 2). This ion dose dependence of the adhesion strength was attributed to the formation of different phases across the interface, probably structurally incompatible.

Effect of grain boundary on electrical characteristics in B- and P-doped polycrystalline Si1-x-yGe xC y film deposited by ultraclean LPCVD

International Nuclear Information System (INIS)

Shim, Hyunyoung; Sakuraba, Masao; Murota, Junichi

2006-01-01

The effect of grain boundary on electrical characteristics in B- and P-doped polycrystalline (poly) Si 1-x -y Ge x C y films was investigated. Poly-Si 1-x -y Ge x C y films were deposited on thermally oxidized Si(100) at 500-650 deg. C in a SiH 4 -GeH 4 -SiH 3 CH 3 -H 2 gas mixture by an ultraclean hot-wall low-pressure chemical vapor deposition. B and P were doped into the films by ion implantation and diffusion by heat-treatment. The electrical properties are characterized by grain size, width of disordered region near grain boundaries, carrier trap density and the amount of impurity segregation at grain boundaries. In the B-doped poly-Si 1-x -y Ge x C y films heat-treated at 900 deg. C, the increase of carrier concentration n poly and the decrease of resistivity ρ poly with Ge addition are caused by the narrowing of the width of disordered regions, i.e., crystallization of disordered regions induced by Ge atoms. The decrease of n poly and the increase of ρ poly with C addition are explained by the suppression of crystallization of disordered region due to C atom segregation at grain boundaries. In the P-doped poly-Si 1-x -y Ge x C y films, it is found that n poly and ρ poly are influenced by P atom segregation at grain boundaries due to lowering solid solubility of P in grain by the existence of Ge

1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene

Directory of Open Access Journals (Sweden)

Shao-Yuan Chen

2014-06-01

Full Text Available The title compound, C18H24O2, was isolated from the leaves extract of Ficus carica L. The cyclohexane ring displays a chair conformation whereas the cyclohexa-1,4-diene ring adopts a flattened boat conformation with methyl C atoms at the prow and stern. In the crystal, molecules are linked by weak C—H...O hydrogen bonds into supramolecular chains propagated along the b-axis direction.

The Cytoprotective Effects of E-α-(4-Methoxyphenyl-2',3,4,4'-Tetramethoxychalcone (E-α-p-OMe-C6H4-TMC--A Novel and Non-Cytotoxic HO-1 Inducer.

Directory of Open Access Journals (Sweden)

Kai B Kaufmann

Full Text Available Cell protection against different noxious stimuli like oxidative stress or chemical toxins plays a central role in the treatment of many diseases. The inducible heme oxygenase isoform, heme oxygenase-1 (HO-1, is known to protect cells against a variety of harmful conditions including apoptosis. Because a number of medium strong electrophiles from a series of α-X-substituted 2',3,4,4'-tetramethoxychalcones (α-X-TMCs, X = H, F, Cl, Br, I, CN, Me, p-NO2-C6H4, Ph, p-OMe-C6H4, NO2, CF3, COOEt, COOH had proven to activate Nrf2 resulting in HO-1 induction and inhibit NF-κB downstream target genes, their protective effect against staurosporine induced apoptosis and reactive oxygen species (ROS production was investigated. RAW264.7 macrophages treated with 19 different chalcones (15 α-X-TMCs, chalcone, 2'-hydroxychalcone, calythropsin and 2'-hydroxy-3,4,4'-trimethoxychalcone prior to staurosporine treatment were analyzed for apoptosis and ROS production, as well as HO-1 protein expression and enzyme activity. Additionally, Nrf2 and NF-κB activity was assessed. We found that amongst all tested chalcones only E-α-(4-methoxyphenyl-2',3,4,4'-tetramethoxychalcone (E-α-p-OMe-C6H4-TMC demonstrated a distinct, statistically significant antiapoptotic effect in a dose dependent manner, showing no toxic effects, while its double bond isomer Z-α-p-OMe-C6H4-TMC displayed no significant activity. Also, E-α-p-OMe-C6H4-TMC induced HO-1 protein expression and increased HO-1 activity, whilst inhibition of HO-1 by SnPP-IX abolished its antiapoptotic effect. The only weakly electrophilic chalcone E-α-p-OMe-C6H4-TMC reduced the staurosporine triggered formation of ROS, while inducing the translocation of Nrf2 into the nucleus. Furthermore, staurosporine induced NF-κB activity was attenuated following E-α-p-OMe-C6H4-TMC treatment. Overall, E-α-p-OMe-C6H4-TMC demonstrated its effective cytoprotective potential via a non-toxic induction of HO-1 in RAW264

Characterization of a n+3C/n−4H SiC heterojunction diode

Energy Technology Data Exchange (ETDEWEB)

Minamisawa, R. A.; Mihaila, A. [Department of Power Electronics, ABB Corporate Research Center, CH-5405 Baden-Dättwil (Switzerland); Farkas, I.; Hsu, C.-W.; Janzén, E. [Semiconductor Materials, IFM, Linköping University, SE-58183 Linköping (Sweden); Teodorescu, V. S. [National Institute of Material Physics, R-077125 Bucharest-Măgurele (Romania); Afanas' ev, V. V. [Semiconductor Physics Laboratory, KU Leuven, 3001 Leuven (Belgium); Rahimo, M. [ABB Semiconductors, Fabrikstrasse 3, CH-5600 Lenzburg (Switzerland)

2016-04-04

We report on the fabrication of n + 3C/n-4H SiC heterojunction diodes (HJDs) potentially promising the ultimate thermal stability of the junction. The diodes were systematically analyzed by TEM, X-ray diffraction, AFM, and secondary ion mass spectroscopy, indicating the formation of epitaxial 3C-SiC crystal on top of 4H-SiC substrate with continuous interface, low surface roughness, and up to ∼7 × 10{sup 17 }cm{sup −3} dopant impurity concentration. The conduction band off-set is about 1 V as extracted from CV measurements, while the valence bands of both SiC polytypes are aligned. The HJDs feature opening voltage of 1.65 V, consistent with the barrier height of about 1.5 eV extracted from CV measurement. We finally compare the electrical results of the n + 3C/n-4H SiC heterojunction diodes with those featuring Si and Ge doped anodes in order to evaluate current challenges involved in the fabrication of such devices.

Polymorphism of Bi1-xLnxO1.5 phases (04Ln2O9 (x=0.33; Ln=La, Pr, Nd)

International Nuclear Information System (INIS)

Drache, Michel; Huve, Marielle; Roussel, Pascal; Conflant, Pierre

2003-01-01

The Bi 1-x Ln x O 1.5 solid solutions (Ln=La, Pr, Nd), of the β 2 /β 1 /ε (Bi-Sr-O) structural type, have been investigated in their Ln-rich domains. For Ln=La, Pr, and Nd, the upper limits are 0.35, 0.35 and 0.33, respectively. The Bi 4 Ln 2 O 9 ε phase (x=0.33) appears to be the single definite compound. For Bi 4 La 2 O 9 , Bi 4 Pr 2 O 9 and Bi 4 Nd 2 O 9 , the ε-type cells are respectively: a=9.484(4) A, b=3.982(2) A, c=7.030(3) A, β=104.75(3) deg.; a=9.470(5) A, b=3.945(2) A, c=6.968(4) A, β=104.73(3) deg. and a=9.439(3) A, b=3.944(2) A, c=6.923(2) A, β=105.03(3) deg. . Upon heating, each monoclinic (ε) compound transforms successively into rhombohedral phases (β 2 /β 1 ) and finally into a cubic fluorite-type phase. For La- and Pr-based compounds, all transitions are reversible; for Nd, depending on the thermal treatment, the reversibility of ε→β 2 can be incomplete. These transformations are characterized using X-ray thermodiffractometry, differential thermal analysis, dilatometry and impedance spectroscopy versus temperature. Examination of Bi 4 (Ln, Ln') 2 O 9 samples allows to correlate the evolution of the thermal behavior and of the unit cell parameters, to the lanthanide size. A partial plot of the (Bi 2 O 3 ) 1-x -(La 2 O 3 ) x phase diagram (0≤x≤0.40) is proposed

HT-solution growth and characterisation of In{sub x}Na{sub x}Mn{sub 1-2x}WO{sub 4} (0

Energy Technology Data Exchange (ETDEWEB)

Gattermann, U. [Sektion Kristallographie, Department für Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universität München, Theresienst rasse 41, D-80333 Munich (Germany); Park, S.-H., E-mail: sohyun.park@lmu.de [Sektion Kristallographie, Department für Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universität München, Theresienst rasse 41, D-80333 Munich (Germany); Paulmann, C. [Geowissenschaften, Fakultät für Mathematik, Informatik und Naturwissenschaften, Universität Hamburg, Grindelallee 48, D-20146 Hamburg (Germany); Benka, G.; Pfleiderer, C. [Physik-Department, Technische Universität München, James-Franck-Strasse 1, D-85748 Garching (Germany)

2016-12-15

A new solid solution system, In{sub x}Na{sub x}Mn{sub 1–2x}WO{sub 4} (0<x=≤0.26) belonging to the MnWO{sub 4}-type multiferroics was investigated. Large single crystals were grown up to several mm in length from high-temperature oxide solutions using a solvent mixture of Na{sub 2}WO{sub 4} and Na{sub 2}W{sub 2}O{sub 7}. Quantitative doping degrees were analyzed by means of electron microprobe. Single crystal X-ray diffraction studies agreed with the polar space group P2 for In{sub x}Na{sub x}Mn{sub 1–2x}WO{sub 4}. The complexity of partial (Na{sup +}/Mn{sup 2+})- and (In{sup 3+}/Mn{sup 2+})-ordering makes their atomic sites unique, explaining the dissymmetrization from P2/c down to P2. This is also valid for the InNaW{sub 2}O{sub 8}-type Mn{sub 2y}In{sub 1-y}Na{sub 1-y}W{sub 2}O{sub 8} solid solution found as co-product in this study. Specific heat and magnetisation measurements showed a paramagnetic dilution effect from (In{sup 3+}/Na{sup +})-doping while lowering the transition temperature for the multiferroic phase AF2 of In{sub x}Na{sub x}Mn{sub 1–2x}WO{sub 4} with respect to the prototype MnWO{sub 4}. - Graphical abstract: A volume expansion around Mn2 site by (In, Na)-doping is drawn by the atomic shifts in a Mn2O{sub 6} octahedron in the atomistic structure of In{sub 0.20(2)}Na{sub 0.17(2)}Mn{sub 0.63(4)}WO{sub 4} from the respective atomic positions of In-free MnWO{sub 4}. The size and direction of arrows are scaled up for indicating the consequent local distortion. - Highlights: • HT solution crystal growth of (In, Na):MnWO{sub 4}-solid-solution compounds. • Polar space group symmetry P2 for their atomistic structures. • Magnetic properties of the multiferroic phase AF2 by (In{sup 3+}, Na{sup +})-doping. • Magnetic phase transitions.

Microwave-induced combustion synthesis and electrical conductivity of Ce1-xGd xO2-1/2x ceramics

International Nuclear Information System (INIS)

Fu, Y.-P.; Chang, Y.-S.; Wen, S.-B.

2006-01-01

Ce 1-x Gd x O 2-1/2x nanopowder were successfully synthesized by microwave-induced combustion process. For the preparation, cerium nitrate, gadolinium nitrate hexahydrate, and urea were used for the microwave-induced combustion process. The process took only 30 min to obtain Ce 1-x Gd x O 2-1/2x powders. The exo-endo temperature, phase identification, and morphology of resultant powders were investigated by TG/DTA, XRD, and SEM. The as-received Ce 1-x Gd x O 2-1/2x powders showed that the average particle size ranged from 18 to 50 nm, crystallite dimension varied from 11 to 20 nm, and the specific surface area was distribution from 16 to 46 m 2 /g. As for Ce 1-x Gd x O 2-1/2x ceramics sintered at 1450 deg. C for 3 h, the bulk density of Ce 1-x Gd x O 2-1/2x ceramics were over 91% of the theoretical density, the maximum electrical conductivity, σ 700deg.C = 0.017 S/cm with minimum activation energy, E a = 0.869 eV was found at Ce 0.80 Gd 0.20 O 1.90 ceramic

??????????? ????????? ???????????? ???????????? NH4X (?=??,?1) ??? ??????????? CdxHgi-xTe ??????? ???????? ???????????? ???????

OpenAIRE

??????, ?. ?.; ?????????, ?. ?.; ???????, ?. ?.; ?????????, ?. ?.; ?????????, ?. ?.

2004-01-01

?? ?????? ??????????? ?????????? ???????????? ?????? ??????? ???? ??????? CdxHgi_xTe-Hg-NH4Br ??? ??????? ?????? Hg ? ????????? ?????????? 560-860? ? ??????????? ?????? ?? = 103-=-105 ?? ????????? ????????, ??? ??????? ???????? ????? ? ??????????????? ??????, ????? ? ?????? - CdBr2, Hg, ??2. ??? ????????? ??????? ??????? ???????????? CdxHgi_xTe ??????? ? = 0.2; 0.3; 0.4 ?? ????????? ??? ??? ? ??? ?????????? ??????? ???????? ??????? (??? ?????? ?????? ????? ? ???????) ????????? ??????????? ???...

Reaction of hydrogen with the Laves phase (C14) TiCr1.78-xMnx compounds

International Nuclear Information System (INIS)

Agresti, F.; Lo Russo, S.; Maddalena, A.; Principi, G.; Mazzolai, G.; Coluzzi, B.; Biscarini, A.; Mazzolai, F.M.; Tuissi, A.

2009-01-01

The lattice constants a and c of the as cast hexagonal (C14) Laves phase TiCr 1.78-x Mn x (x = 0, 0.4, 0.6 and 0.8) have been measured by X-ray diffraction at room temperature as a function of the Mn content. It has been found that a decreases with increasing x while c remains almost unchanged. Being this alloy interesting as material for solid state hydrogen storage, pressure-composition isotherms have been traced on desorption mode for the H 2 gas pressure and temperature varying from 10 to 0.01 MPa and from 209 to 307 K, respectively. From the temperature dependence of the plateau pressure the molar quantities ΔH-bar H 2 and ΔS-bar H 2 associated with the hydride decomposition have been determined as a function of the Mn content. With increasing x, both ΔH-bar H 2 and ΔS-bar H 2 progressively decrease, and the desorption pressure initially decreases (for x ≤ 0.4) then slightly increases. At the same time, the pseudo-plateaus become flatter.

Structural and magnetic studies of the Co{sub 1+x}Ti{sub x}Fe{sub 2(1−x)}O{sub 4} ferrites

Energy Technology Data Exchange (ETDEWEB)

Amer, M.A., E-mail: moazamer@hotmail.com

2017-03-15

The cubic spinel Co{sub 1+x}Ti{sub x}Fe{sub 2(1−x)}O{sub 4} ferrites, 0.0≤x≤0.5, were prepared by the standard ceramic technique. The samples were examined using the techniques; XRD, FT-IR, SEM and VSM. The average lattice parameter showed dependence on x, whereas the crystallite and grain size and strain did not. The infrared spectra showed six absorption bands in the range of 200–1000 cm{sup −1}. They were assigned to the corresponding metallic ion–oxygen bonds among the A- and B-sites. The absorption bands ν{sub 1} and ν{sub 2} and their intensities and force constants F{sub 1} and F{sub 2} were increased against x. Using the transmitted and absorbed energy, the IR velocity and refractive index and jump rate of vacancies were determined and discussed as functions of x. The trend of sauration magnetization Ms was decreased with x, whereas that of coercivity and anisotropy constant was increased. The determined Debye temperature and stiffness constant of the samples were discussed as functions of x. The absorption bands ν{sub 1} and ν{sub 2} proved dependence on the distance between magnetic ions (hopping length) L{sub A-A} and L{sub B-B} at the A- and B-sites, respectively, whereas F{sub 1} and F{sub 2} proved dependence on Ms. - Highlights: • Trend of Ms showed decrease with x, whereas that of Hc and K showed increase. • IR velocity and refractive index and jump rate of vacancies revealed dependence on x. • Debye temperature and stiffness constant showed increase with the additional factor x. • IR bands ν{sub 1} and ν{sub 2} were decreased with the distance between magnetic ions L{sub A} and L{sub B}. • Force constants F{sub 1} and F{sub 2} were affected by the saturation magnetization Ms.

Influence of carbon on structure stability, mechanical and tribological properties of β-Si3(Cx,N1‑x)4 silicon carbonitride

Science.gov (United States)

Zhong, Jing; Hua, Guomin; Chen, Linbo; Li, Changsheng; Yang, Jianhong; Cheng, Xiaonong

2018-05-01

In this study, β-Si3(Cx,N1‑x)4 Silicon Carbonitride was prepared by Self-Propagation High-Temperature Synthesis (SHS). And the influence of carbon on structure stability, mechanical and tribological properties of β-Si3(Cx,N1‑x)4 were investigated. The results showed that the solubility of carbon in β-Si3(Cx,N1‑x)4 was about 10 wt%, beyond which cubic-SiC segregated out of β-Si3(Cx,N1‑x)4 to form β-Si3N4/cubic-SiC composite. Regarding influences of carbon concentration on mechanical properties, the hardness of β-Si3(Cx,N1‑x)4 decreased from 1400 Hv to 1200 Hv with the increase of carbon concentration. Whereas, the fracture toughness of β-Si3(Cx,N1‑x)4 increased from 6.5 MPa · m0.5 to 7.6 MPa · m0.5 with the increase of carbon concentration. The tribological property studies revealed the anti-wear performance of β-Si3(Cx,N1‑x)4 was enhanced by the increase of carbon concentration. The dominated wear mechanism could be attributed to the abrasive wear by fracture.

Crystal structure of 2-(thiophen-2-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl) ethenyl]benzamide: N,N-dimethylformamide (1 : 1)

Energy Technology Data Exchange (ETDEWEB)

Sharma, P. [University of Jammu, X-ray Crystallography Laboratory, Department of Physics (India); Subbulakshmi, K. N.; Narayana, B. [Mangalore University, Department of Chemistry (India); Sarojini, B. K. [Mangalore University, Industrial Chemistry Division, Department of Studies in Chemistry (India); Kant, R., E-mail: rkant.ju@gmail.com [University of Jammu, X-ray Crystallography Laboratory, Department of Physics (India)

2016-03-15

The title compound, 2-(thiophen-2-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethenyl] benzamide:N,N-dimethylformamide (1: 1), (C{sub 15}H{sub 11}N{sub 3}O{sub 2}S{sub 2} · C{sub 3}H{sub 7}NO), was synthesized, and its structure was established by spectral analysis and X-ray diffraction studies. The compound crystallizes in the monoclinic space group P2{sub 1}/n with a = 10.8714(7), b = 9.0497(5), c = 19.8347(13) Å, β = 91.093(5)°, Z = 4. The crystal structure is stabilized by N–H···S, C–H···O and N–H···O hydrogen bonds. The π···π interactions are also observed between the rings.

Microwave assisted synthesis of core–shell LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite cathode for high-performance lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Li, Huanhuan [Automotive Engineering Research Institute, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013 (China); Li, Yunxing [School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Chen, Long; Jiang, Haobin [Automotive Engineering Research Institute, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013 (China); Wei, Jinping [Institute of New Energy Material Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Nankai University, Tianjin 300071 (China); Wang, Hongbo [China Aviation Lithium Battery Co. Ltd., Luoyang 471003 (China); Wang, Yaping, E-mail: wangyaping@ujs.edu.cn [School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 (China)

2014-12-25

Highlights: • We firstly report a fast microwave heating way to prepare LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C. • The reversible discharge capacity of LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C is about 169 mA h g{sup −1}. • LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite elucidates excellent cyclic stability. • LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite exhibits attractive rate capability. - Abstract: A microwave assisted method is developed for synthesizing pure LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4} and LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C nanocomposite. Olivine LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4} coated with uniform amorphous carbon film of ∼5 nm in thickness with an average size of ∼200 nm is successfully obtained. Compared with pure LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}, LiFe{sub 1/3}Mn{sub 1/3}Co{sub 1/3}PO{sub 4}/C composite presents enhanced electrochemical Li-ion intercalation performances. It exhibits a high discharge capacity of 169 mA h g{sup −1} at 0.1 C (theoretical capacity is 170 mA h g{sup −1}). The capacity retention is 99% after 30 cycles. Furthermore, the capacities are still retained 101 at 5 C and 76 mA h g{sup −1} and 20 C, respectively. Carbon coating can significantly improve the Li-ion diffusion, the reversibility of lithium extraction/insertion and electrical conductivity of LiCo{sub 1/3}Mn{sub 1/3}Fe{sub 1/3}PO{sub 4}.

Glassy behavior in the layered perovskites La2−xSrxCoO4(1.1≤x≤1.3)

International Nuclear Information System (INIS)

Mukherjee, S.; Mukherjee, Rajarshi; Banerjee, S.; Ranganathan, R.; Kumar, Uday

2012-01-01

The glassy behavior of the phase segregated state in the layered cobaltite La 2−x Sr x CoO 4 has been studied. The role of the inter-cluster interactions as well as the disordered spins at the paramagnetic–ferromagnetic interface, behind the observed glassy behavior have been investigated. The disordered spins at the interface appear to be strongly pinned, and they contribute little to the observed glassy behavior. On the other hand, the inter-cluster interactions play the key role. Both the Co 4+ and Co 3+ ions are in the intermediate spin state. - Highlights: ► Phase segregated state of cobaltite La 2−x Sr x CoO 4 for (1.1≤x≤1.3) to find the origin of the observed glassy behavior. ► Result of the frequency dependent ac susceptibility measurement excludes the possibility of any spin glass phase, hints strong inter-cluster interactions. ► Relaxation experiments confirm the system to be a collection of clusters with two preferred sizes. ► The glassy behavior originates from strong inter-cluster interactions.

Synthesis of g-C3N4/Fe3O4 nanocomposites and application as a new sorbent for solid phase extraction of polycyclic aromatic hydrocarbons in water samples.

Science.gov (United States)

Wang, Man; Cui, Shihai; Yang, Xiaodi; Bi, Wentao

2015-01-01

An easy preparation of g-C3N4/Fe3O4 nanocomposites by chemical co-precipitation has been demonstrated. The as-prepared materials were characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy and thermogravimetric analysis. The high affinity of g-C3N4 toward polycyclic aromatic hydrocarbons and the magnetic behavior of Fe3O4 were combined to provide an efficient and simple magnetic solid phase extraction (MSPE). The adsorption and desorption of polycyclic aromatic hydrocarbons on g-C3N4/Fe3O4 were examined. Different factors affecting the magnetic solid phase extraction of polycyclic aromatic hydrocarbons were assessed in terms of adsorption, desorption, and recovery. Under the optimized conditions, the proposed method showed good limits of detection (LOD, S/N=3) in the range of 0.05-0.1 ng mL(-1) and precision in the range of 1.8-5.3% (RSDs, n=3). This method was also successfully applied to the analysis of real water samples; good spiked recoveries over the range of 80.0-99.8% were obtained. Copyright © 2014 Elsevier B.V. All rights reserved.

Effect of applied bias voltage on corrosion-resistance for TiC 1- xN x and Ti 1- xNb xC 1- yN y coatings

Science.gov (United States)

Caicedo, J. C.; Amaya, C.; Yate, L.; Aperador, W.; Zambrano, G.; Gómez, M. E.; Alvarado-Rivera, J.; Muñoz-Saldaña, J.; Prieto, P.

2010-02-01

Corrosion-resistance behavior of titanium carbon nitride (Ti-C-N) and titanium niobium carbon nitride (Ti-Nb-C-N) coatings deposited onto Si(1 0 0) and AISI 4140 steel substrates via r.f. magnetron sputtering process was analyzed. The coatings in contact with a solution of sodium chloride at 3.5% were studied by Tafel polarization curves and impedance spectroscopy methods (EIS). Variations of the bias voltage were carried out for each series of deposition to observe the influence of this parameter upon the electrochemical properties of the coatings. The introduction of Nb in the ternary Ti-C-N film was evaluated via X-ray diffraction (XRD) analysis. The structure was characterized by using Raman spectroscopy to identify ternary and quaternary compounds. Surface corrosion processes were characterized using optical microscopy and scanning electron microscopy (SEM). XRD results show conformation of the quaternary phase, change in the strain of the film, and lattice parameter as the effect of the Nb inclusion. The main Raman bands were assigned to interstitial phases and "impurities" of the coatings. Changes in Raman intensities were attributed to the incorporation of niobium in the Ti-C-N structure and possibly to resonance enhancement. Finally, the corrosion data obtained for Ti-C-N were compared with the results of corrosion tests of Ti-Nb-C-N coating. The results obtained showed that the incorporation of niobium to Ti-C-N coatings led to an increase in the corrosion-resistance. On another hand, an increase in the bias voltage led to a decrease in the corrosion-resistance for both Ti-C-N and Ti-Nb-C-N coatings.

X-ray Photoelectron Spectroscopy Database (Version 4.1)

Science.gov (United States)

SRD 20 X-ray Photoelectron Spectroscopy Database (Version 4.1) (Web, free access)   The NIST XPS Database gives access to energies of many photoelectron and Auger-electron spectral lines. The database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines.

Density of liquid Hg(1-x)Cd(x)Te

Science.gov (United States)

Chandra, D.; Holland, L. R.

1983-01-01

Negative thermal expansion has been established in liquid Hg(1-x)Cd(x)Te for x less than 0.2 employing a pycnometric method. Pure HgTe increases in density from its melting point at 670 C to a maximum value at 750 C, where normal thermal expansion progressively resumes. The dependence of density on temperature for liquid Hg(1-x)Cd(x)Te arises almost exclusively from the HgTe portion of the melt, while CdTe acts as a diluent. The temperature corresponding to the maximum density changes slightly with composition, increasing by about 5 C for x = 0.1.

TaxHf1−xB2–SiC multiphase oxidation protective coating for SiC-coated carbon/carbon composites

International Nuclear Information System (INIS)

Ren, Xuanru; Li, Hejun; Fu, Qiangang; Li, Kezhi

2014-01-01

Highlights: • Ta x Hf 1−x B 2 –SiC coating was prepared on SiC coated C/C by in-situ reaction method. • TaB 2 and HfB 2 were introduced in the form of solid solution Ta x Hf 1−x B 2 . • The coating could protect C/C for 1480 h with only 0.57% mass loss at 1773 K in air. • Oxidation layer consists of out Ta–Si–O compound layer and inner SiO 2 glass layer. • Ta–Si–O compound silicate layer presents a better stability than SiO 2 glass layer. - Abstract: A Ta x Hf 1−x B 2 –SiC coating was prepared by in-situ reaction method on SiC coated C/C composites. Ta x Hf 1−x B 2 phase is the form of solid solution between TaB 2 and HfB 2 . Isothermal oxidation behavior at 1773 K and ablation behavior of the coated C/C were tested. Ta x Hf 1−x B 2 –SiC/SiC coating could protect the C/C from oxidation at 1773 K for 1480 h and ablation above 2200 K for 40 s. During oxidation, oxides of Ta and Hf atoms exist as “pinning phases” in the compound glass layer consisted of outer Ta–Si–O compound silicate layer and inner SiO 2 glass layer, which was responsible for the excellent oxidation resistance

Thermal expansion of phosphates with the NaZr2(PO4)3 structure containing lanthanides and zirconium: R0.33Zr2(PO4)3 (R = Nd, Eu, Er) and Er0.33(1–x) Zr0.25xZr2(PO4)3

International Nuclear Information System (INIS)

Volgutov, V. Yu.; Orlova, A. I.

2015-01-01

Phosphates R 0.33 Zr 2 (PO 4 ) 3 (R = Nd, Eu, or Er) and Er 0.33(1–x) Zr 0.25 Zr 2 (PO 4 ) 3 (x = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr 2 (PO 4 ) 3 family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd 0.33 Zr 2 (PO 4 ) 3 with α a =–2.21 × 10 −6 °C −1 , α c = 0.81 × 10 −6 °C −1 , and Δα = 3.02 × 10 −6 °C –1 and Er 0.08 Zr 0.19 Zr 2 (PO 4 ) 3 with α a =–1.86 × 10 −6 °C −1 , α c = 1.73 × 10 −6 °C −1 , and Δα = 3.58 × 10 −6 °C −1

Structure, morphology, and cathode performance of Li{sub 1-x}[Ni{sub 0.5}Mn{sub 1.5}]O{sub 4} prepared by coprecipitation with oxalic acid

Energy Technology Data Exchange (ETDEWEB)

Liu, Dongqiang; Han, Jiantao; Goodenough, John B. [Texas Materials Institute, ETC 9.184, University of Texas at Austin, 1 University Station, C2200, Austin, TX 78712 (United States)

2010-05-01

The cathode materials Li{sub 1-x}[Ni{sub 0.5}Mn{sub 1.5}]O{sub 4} prepared by coprecipitation from acetate solution by oxalic acid and annealing at 900 C in air had the preferred disordered Ni and Mn on the 16d octahedral sites of a spinel Fd anti 3m structure. The coprecipitation method provides better crystallinity than the Fd anti 3m phase previously obtained by quenching from the melt. Polycrystalline octahedral-shaped particles with smooth surfaces contained trace amounts of a Li{sub y}Ni{sub 1-y}O impurity that introduced some Mn(III) into the spinel phase. Half-cells cycled at 0.2 C rate between 3.5 and 4.8 V versus Li exhibited a flat voltage V {approx} 4.7 V with a small step at x {approx} 0.5 and a capacity at room temperature of 130 mAh g{sup -1} that showed no fade after 50 cycles. A small capacity fade was initiated with a cut-off voltage {>=}4.9 V; a significant capacity loss between 2 and 5 C cycling rates was reversible to 134 mAh g{sup -1} on returning to 0.1 C after 50 cycles at 10 C between 3.5 and 5.0 V. (author)

Association between Virulence Factors and TRAF1/4-1BB/Bcl-xL Expression in Gastric Mucosa Infected with Helicobacter pylori

Directory of Open Access Journals (Sweden)

Fen Wang

2015-01-01

Full Text Available Objective. CagA+/vacAs1+/vacAm1+ Helicobacter pylori upregulates the expression of tumor necrosis factor receptor–associated factor 1 (TRAF1, tumor necrosis factor receptor superfamily member 9 (4-1BB, and B-cell lymphoma-extra large (Bcl-xL in human gastric epithelial cells. We investigated the correlation between cagA/vacAs1/vacAm1 and TRAF1/4-1BB/Bcl-xL expression in gastric mucosal tissue of patients with gastric disorders. Methods. We collected gastric mucosa samples from 35 chronic, nonatrophic gastritis (CG patients, 41 atrophic gastritis patients, 44 intestinal metaplasia with atypical hyperplasia (IM patients, and 28 gastric carcinoma (Ca patients. The expression of  TRAF1, 4-1BB, and Bcl-xL was determined using western blotting. The expression of cagA, vacAs1, and vacAm1 in H. pylori was examined with polymerase chain reaction. Results. The expression of TRAF1, 4-1BB, and Bcl-xL was significantly upregulated in IM and Ca patients (P<0.05 compared with CG. There were more cases of cagA+/vacAs1+/vacAm1+ H. pylori infection in samples with elevated TRAF1, 4-1BB, or Bcl-xL expression (P<0.05. Additionally, there were a remarkably large number of samples with upregulated TRAF1/4-1BB/Bcl-xL expression in cases of cagA+/vacAs1+/vacAm1+ H. pylori infection (44 cases, 67.7%; P<0.05. Conclusions. The pathogenesis of IM and Ca may be promoted by cagA+/vacAs1+/vacAm1+ H. pylori, possibly via upregulated TRAF1, 4-1BB, and Bcl-xL in gastric mucosal tissue.

Sex-specific expression of the X-linked histone demethylase gene Jarid1c in brain.

Directory of Open Access Journals (Sweden)

Jun Xu

Full Text Available Jarid1c, an X-linked gene coding for a histone demethylase, plays an important role in brain development and function. Notably, JARID1C mutations cause mental retardation and increased aggression in humans. These phenotypes are consistent with the expression patterns we have identified in mouse brain where Jarid1c mRNA was detected in hippocampus, hypothalamus, and cerebellum. Jarid1c expression and associated active histone marks at its 5'end are high in P19 neurons, indicating that JARID1C demethylase plays an important role in differentiated neuronal cells. We found that XX mice expressed Jarid1c more highly than XY mice, independent of their gonadal types (testes versus ovaries. This increased expression in XX mice is consistent with Jarid1c escape from X inactivation and is not compensated by expression from the Y-linked paralogue Jarid1d, which is expressed at a very low level compared to the X paralogue in P19 cells. Our observations suggest that sex-specific expression of Jarid1c may contribute to sex differences in brain function.

The Co-III-C bond in (1-thia-4,7-diazacyclodecyl-kappa N-3(4),N-7,C-10)(1,4,7-triazacyclononane-kappa N-3(1),N-4,N-7)-cobalt(III) dithionate hydrate

DEFF Research Database (Denmark)

Harris, Pernille; Kofod, P.; Song, Y.S.

2003-01-01

In the title compound, [Co(C6H15N3)(C7H15N2S)]S2O6.H2O, the Co-C bond distance is 1.9930 (13) Angstrom, which is shorter than for related compounds with the linear 1,6-diamino-3-thiahexan-4-ide anion in place of the macrocyclic 1-thia-4,7-diazacyclodecan-8-ide anion. The coordinated carbanion pro...... produces an elongation of 0.102 (7) Angstrom of the Co-N bond to the 1,4,7-triazacyclononane N atom in the trans position. This relatively small trans influence is presumably a result of the triamine ligand forming strong bonds to the Co-III atom....

Magnetic properties of (Mn1-xRux)3Ga alloys

International Nuclear Information System (INIS)

Hori, T.; Akimitsu, M.; Miki, H.; Ohoyoama, K.; Yamaguchi, Y.

2002-01-01

We found that the pseudo binary alloys Mn 1-x Ru x 3 Ga, with 0.33≤x≤0.67, have an ordered b.c.c. structure. The lattice constant a is almost constant with respect to x: a=6.000 A for x=0.33 and a=5.992 A for x=0.67. For the alloy with x=0.33, i.e. Mn 2 RuGa, the magnetization is almost saturated in a field of 20 kOe. The saturation magnetization at 4.2 K is 23 emu/g, and the Curie temperature, T C , is 460 K. The T C of (Mn 1-x Ru x ) 3 Ga decreases almost linearly with increasing x, and it vanishes around x=0.67 (MnRu 2 Ga). We also determined atomic and magnetic structures from neutron diffraction experiments. The alloy Mn 2 RuGa (x=0.33) has an ordered structure of CuHg 2 Ti type; the magnetic Mn atoms mainly occupy the 4a (0,0,0) and 4d (3/4,3/4,3/4) sites. We also observed that the magnetic moments of Mn atoms on the 4a and 4d sites are antiparallel to each other; values of the magnetic moment are μ a =4.6 and μ d =3.3 μ B per Mn atom. (orig.)

Magnetic properties of Co2-xCux(OH)PO4 (x=0, 1 and 2)

International Nuclear Information System (INIS)

Pedro, I. de; Jubera, V.; Rojo, J.M.; Lezama, L.; Sanchez Marcos, J.; Rodriguez Fernandez, J.; Mesa, J.L.; Rojo, T.; Arriortua, M.I.

2004-01-01

The isostructural Co 2-x Cu x (OH)PO 4 (x=0, 1 and 2) phases have been prepared from hydrothermal synthesis and characterized from powder X-ray diffraction. The structure consists of a three-dimensional framework in which M(1)O 5 -trigonal bipyramid dimers and M(2)O 6 -octahedral chains are simultaneously present. Magnetization measurements of Co 2 (OH)(PO 4 ) show the existence of two maxima attributed to a three-dimensional antiferromagnetic ordering at 70 K and a spin-glass-like state at 12 K. When Co 2+ is substituted by Cu 2+ ions, the spin-glass behavior disappears and the magnetic order is decreased

Inhibitory effect of 12C6+ ion and X-ray on angiogenesis in HMEC-1

International Nuclear Information System (INIS)

Liu Yuanyuan; Zhang Hong; Liu Yang; Wu Zhenhua; Sun Chao; Li Hongyan

2013-01-01

The study aims to explore the effect of 12 C 6+ ion and X-ray on proliferation, migration, tube formation and MMPS of human microvascular endothelial cells (HMEC-1). Transwell migration experiment showed that the radiation could inhibit the migration of HMEC-1 in sub-lethal dose 24 h after irradiation. Furthermore, the inhibition ability of 12 C 6+ ion was stronger than that of X-ray. Matrigel experiment indicated that 12 C 6+ ion suppressed the tube formation of HMEC-1 spontaneously. However, the inhibitory effect of X-ray had no significance. Meanwhile, Gelatin Zymography showed the expression of MMP-2 was inhibited obviously by 12 C 6+ ion, while X-ray had little effect on the expression of MMP-2. In conclusion, 12 C 6+ ion is superior to X-ray in radiotherapy of tumor. (authors)

Metal-insulator transition in Si(111)-(4 x 1)/(8 x 2)-In studied by optical spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Speiser, E.; Hinrichs, K.; Cobet, C.; Esser, N. [Leibniz-Institut fuer Analytische Wissenschaften - ISAS - e.V., Albert-Einstein-Str. 9, 12489 Berlin (Germany); Chandola, S. [Leibniz-Institut fuer Analytische Wissenschaften - ISAS - e.V., Albert-Einstein-Str. 9, 12489 Berlin (Germany); School of Physics, Trinity College Dublin 2 (Ireland); Gensch, M. [Helmholtz Zentrum Berlin (Germany); Wippermann, S.; Schmidt, W.G. [Theoretische Physik, Universitaet Paderborn (Germany); Bechstedt, F. [Institut fuer Festkoerpertheorie und -Optik, Friedrich-Schiller-Universitaet, Jena (Germany); Richter, W. [Dipartimento di Fisica, Universita di Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Roma (Italy); Fleischer, K.; McGilp, J.F. [School of Physics, Trinity College Dublin 2 (Ireland)

2010-08-15

Measurements of the surface vibrational modes and optical response of Si(111)-(4 x 1)/(8 x 2)-In are compiled and a comparison to ab initio calculations performed within DFT-LDA formalism is given. Surface resonant Raman spectroscopy allows identifying a number of surface phonons with high spectral precision. The phase transition of the (4 x 1)-(8 x 2) surface structure is found to be accompanied by characteristic changes of the surface phonons, which are discussed with respect to various structural models suggested. The optical anisotropy of the (8 x 2) phase shows that the anisotropic Drude tail of the (4 x 1) phase is replaced by two peaks at 0.50 and 0.72 eV. The spectroscopic signatures of the (4 x 1) and (8 x 2) phases agree with a metal-insulator transition. The mid-IR-anisotropic optical response of the insulating (8 x 2) phase is interpreted in terms of electronic single particle excitations between surface electronic bands related to the In-nanowire surface. Comparison of the measured optical transitions with DFT ab initio calculations for the hexagon model and the trimer model of the (8 x 2) structure shows evidence for the existence of the hexagon structure. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

CHANDRA OBSERVATIONS OF COMETS C/2012 S1 (ISON) AND C/2011 L4 (PanSTARRS)

Energy Technology Data Exchange (ETDEWEB)

Snios, Bradford; Kharchenko, Vasili [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Lisse, Carey M. [Planetary Exploration Group, Space Department, Johns Hopkins University Applied Physics Laboratory, Laurel, MD 20723 (United States); Wolk, Scott J. [Chandra X-Ray Observatory Center, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States); Dennerl, Konrad [Max-Planck-Institut für extraterrestrische Physik, D-85748 Garching (Germany); Combi, Michael R. [Department of Climate and Space Sciences and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States)

2016-02-20

We present our results on the Chandra X-ray Observatory Advanced CCD Imaging Spectrometer (ACIS) observations of the bright Oort Cloud comets C/2012 S1 (ISON) and C/2011 L4 (PanSTARRS). ISON was observed between 2013 October 31–November 06 during variable speed solar wind (SW), and PanSTARRS was observed between 2013 April 17–23 during fast SW. ISON produced an extended parabolic X-ray morphology consistent with a collisionally thick coma, while PanSTARRS demonstrated only a diffuse X-ray-emitting region. We consider these emissions to be from charge exchange (CX) and model each comet's emission spectrum from first principles accordingly. Our model agrees with the observational spectra and also generates composition ratios for heavy, highly charged SW ions interacting with the cometary atmosphere. We compare our derived SW ion compositions to observational data and find a strong agreement between them. These results further demonstrate the utility of CX emissions as a remote diagnostics tool of both astrophysical plasma interaction and SW composition. In addition, we observe potential soft X-ray emissions via ACIS around 0.2 keV from both comets that are correlated in intensity to the hard X-ray emissions between 0.4–1.0 keV. We fit our CX model to these emissions, but our lack of a unique solution at low energies makes it impossible to conclude if they are cometary CX in origin. Finally, we discuss probable emission mechanism sources for the soft X-rays and explore new opportunities these findings present in understanding cometary emission processes via Chandra.

Synthesis, characterization and mechanoluminescence of europium doped ZnxBa(1−x)Al2O4 (x=0, 0.4, 0.5, 0.6, 0.8, 1.0) phosphor

International Nuclear Information System (INIS)

Sajan, S.J.; Gopakumar, N.; Anjana, P.S.; Madhukumar, K.

2016-01-01

The samples of Zn x Ba (1−x) Al 2 O 4 :0.1%Eu (x=0, 0.4, 0.5, 0.6, 0.8, 1.0) were prepared via high temperature solid state reaction method. The phase formation of the powder samples were confirmed by taking X-ray diffraction analysis. The mechanoluminescence (ML) property of the samples by impact method was studied by using ML measuring apparatus. The variations in the ML peak intensity due to the impact velocity of a load falling from different heights and due to the variation of composition were investigated. The photoluminescence studies of the samples were also conducted.

Transforming growth factor beta 1 expression and inflammatory cells in tooth extraction socket after X-ray irradiation

Directory of Open Access Journals (Sweden)

Ramadhan Hardani Putra

2016-06-01

Full Text Available Background: Radiographic examination is often used in dentistry to evaluate tooth extraction complications. X-ray used in radiographic examination, however, has negative effects, including damage to DNA and inflammatory response during wound healing process. Purpose: This study aimed to analyze the effects of X-ray irradiation on transforming growth factor beta 1 (TGF-ß1 expression and number of inflammatory cells in tooth extraction sockets. Method: Thirty rats were divided into three groups, which consist of control group (with a radiation of 0 mSv, treatment group 1 (with a radiation of 0.08 mSv, and treatment group 2 (with a radiation of 0.16 mSv. These rats in each group were sacrificed on days 3 and 5 after treatment. Inflammatory cells which were observed in this research were PMN, macrophages, and lymphocytes. Histopathological and immunohistochemical examinations were used to calculate the number of inflammatory cells and TGF-ß1 expression. Obtained data were analyzed using SPSS 16.0 software with one way ANOVA and Tukey’s HSD tests. Result: There was no significant decrease in the number of PMN. On the other hand, there were significant decreases in the number of macrophages and lymphocytes in the sacrificed group on day-5 with the radiation of 0.16 mSv. Similarly, the most significant decreased expression of TGF-ß1 was found in the group sacrificed on day 5 with the radiation of 0.16 mSv. Conclusion: X-ray irradiation with 0.08 mSv and 0.16 mSv doses can decrease TGF-ß1 expression and number of inflammatory cells in tooth extraction sockets on day 3 and 5 post extraction.

U(1) x U(1) x U(1) symmetry of the Kimura 3ST model and phylogenetic branching processes

International Nuclear Information System (INIS)

Bashford, J D; Jarvis, P D; Sumner, J G; Steel, M A

2004-01-01

An analysis of the Kimura 3ST model of DNA sequence evolution is given on the basis of its continuous Lie symmetries. The rate matrix commutes with a U(1) x U(1) x U(1) phase subgroup of the group GL(4) of 4 x 4 invertible complex matrices acting on a linear space spanned by the four nucleic acid base letters. The diagonal 'branching operator' representing speciation is defined, and shown to intertwine the U(1) x U(1) x U(1) action. Using the intertwining property, a general formula for the probability density on the leaves of a binary tree under the Kimura model is derived, which is shown to be equivalent to established phylogenetic spectral transform methods. (letter to the editor)

Mild hydrothermal synthesis, crystal structure, thermal behavior, spectroscopic and magnetic properties of the (NH4)[Fe(AsO4)1-x(PO4)xF] (x=0.3, 0.6, 0.8) series. Thermal transformation of (NH4)[Fe(AsO4)0.7(PO4)0.3F] into the textural porous orthorhombic Fe(AsO4)0.7(PO4)0.3

International Nuclear Information System (INIS)

Berrocal, Teresa; Mesa, Jose L.; Pizarro, Jose L.; Bazan, Begona; Lezama, Luis; Arriortua, Maria I.; Rojo, Teofilo

2009-01-01

The (NH 4 )[Fe(AsO 4 ) 1-x (PO 4 ) x F] (x=0.3, 0.6, 0.8) series of compounds has been synthesized under mild hydrothermal conditions. The compounds crystallize in the orthorhombic Pna2 1 space group, with the unit-cell parameters a=13.1718(1), b=6.5966(6), c=10.797(1) A for x=0.3; a=13.081(1), b=6.5341(6), c=10.713(1) A for x=0.6 and a=13.0329(9), b=6.4994(4), c=10.6702(6) A for x=0.8, with the volumes 938.6(1), 915.7(1) and 903.8(1) A 3 , respectively, with Z=8. Single crystals of (NH 4 )[Fe(AsO 4 ) 0.7 (PO 4 ) 0.3 F] heated under air atmosphere at 465 deg. C remain as single crystals, changing the composition to Fe(AsO 4 ) 0.7 (PO 4 ) 0.3 . This later phase belongs to the orthorhombic Imam space group, with the unit cell parameters a=13.328(2), b=6.5114(5), c=10.703(1) A, V=928.9(2) A 3 and Z=12. The crystal structure of the ammonium phases consists of a KTP three-dimensional framework constructed by chains formed by alternating Fe(2)O 4 F 2 or Fe(1)O 4 F 2 octahedra and As/P(2)O 4 or As/P(1)O 4 tetrahedra, respectively. These octahedra and tetrahedra are linked by a common oxygen vertex. The chains run along the 'a' and 'b' crystallographic axes. The crystal structure of Fe(AsO 4 ) 0.7 (PO 4 ) 0.3 is a three-dimensional skeleton derived from that of the precursor, formed from (100) sheets stacked along the [001] direction, and interconnected by chains of alternating Fe(2)O 6 octahedra and As/P(2)O 4 tetrahedra sharing a vertex in the 'a' direction. Transmission electronic microscopy of this compound indicates the existence of unconnected external cavities with a BET surface area of 3.91(3) m 2 g -1 . The diffuse reflectance spectra in the visible region show the forbidden electronic transitions characteristic of the Fe(III) d 5 -high spin cation in slightly distorted octahedral geometry, for all the compounds. The ESR spectra for all the compounds, carried out from room temperature to 4.2 K, remain isotropic with variation in temperature; the g-value is 1.99(1

Homoleptic Diphosphacyclobutadiene Complexes [M(η4-P2C2R2)2]x- (M=Fe, Co; x=0, 1)

NARCIS (Netherlands)

Wolf, Robert; Ehlers, A.W.; Khusniyarov, M.M.; Hartl, F.; de Bruin, B.; Long, G.J.; Grandjean, F.; Schappacher, F.M.; Pöttgen, R.; Slootweg, J.C.; Lutz, M.; Spek, A.L.; Lammertsma, K.

2011-01-01

The preparation and comprehensive characterization of a series of homoleptic sandwich complexes containing diphosphacyclobutadiene ligands are reported. Compounds [K([18]crown-6)ACHTUNGTRENUNG(thf)2][Fe(η4- P2C2tBu2)2] (K1), [K([18]crown-6)- ACHTUNGTRENUNG(thf)2][Co(h4-P2C2tBu2)2] (K2), and

Homoleptic Diphosphacyclobutadiene Complexes [M(η(4)-P2C2R2)(2]x- (M = Fe, Co; x=0, 1)

NARCIS (Netherlands)

Wolf, R.; Ehlers, A.W.; Khusniyarov, M.M.; Hartl, F.; de Bruin, B.; Long, G.J.; Grandjean, F.; Schappacher, F.M.; Pöttgen, R.; Slootweg, J.C.; Lutz, M.; Spek, A.L.; Lammertsma, K.

2010-01-01

The preparation and comprehensive characterization of a series of homoleptic sandwich complexes containing diphosphacyclobutadiene ligands are reported. Compounds [K([18]crown-6)(thf)(2)[Fe(η(4)-P(2)C(2)tBu(2))(2)] (K1), [K([18]crown-6)(thf)(2)][Co(η(4)-P(2)C(2)tBu(2))(2)] (K2), and

Synthesis and characterization of nano-sized BaxSr1–xSO4 (0≤ x ...

Indian Academy of Sciences (India)

A facile aqueous solution route has been employed to synthesize BaSr1–SO4 (0 4 ≤ 1) solid solution nanocrystals at room temperature without using any surfactants or templates. The as-synthesized products were characterized by means of X-ray diffraction (XRD), X-ray fluorescence spectrometer (XRF), scanning ...

Thermodynamics and long-range order of nitrogen in gamma'-Fe4N1-x

NARCIS (Netherlands)

Kooi, BJ; Somers, MAJ; Mittemeijer, EJ

Models are given for the description of the chemical potential of nitrogen in gamma'-Fe4N1-x. In previous work, gamma'-Fe4N1-x was treated as a (sub)regular solution, thereby assuming that the N atoms are distributed randomly on the sites of their own sublattice. However, in gamma'-Fe4N1-x,

Ferroelasticity in palmierite-type(1  -  x)Pb3(PO4)2 - xPb3(AsO4)2

Science.gov (United States)

Bismayer, Ulli; Mihailova, Boriana; Angel, Ross

2017-06-01

Lead phosphate-arsenate Pb3(P1-x As x O4)2 undergoes an improper ferroelastic phase transition from a rhombohedral paraphase R\\bar{3}m to a monoclinic ferrophase C2/c leading to distinct twin boundary patterns. On cooling compounds with x larger than 0.8 undergo further transitions to monoclinic low-temperature phases, whereas the composition with x  =  0.8 shows order-parameter coupling phenomena. The transformation R\\bar{3}m -C2/c was described on the basis of a three-state Potts model and the existence of precursors of monoclinic clusters in the rhombohedral paraphase. The system is one of the best studied improper ferroelastics. Due to its two-mode phonon behaviour the solid solution exhibits multistep temperature- as well as pressure-driven structural transformations with different length and time scales. Relevant investigations and findings of this palmierite-type material have been made by Prof E K H Salje. Some of the most prominent results from x-ray diffraction, optical microscopy and Raman scattering are reviewed, and the potential implications for domain-wall structures and engineering are discussed.

Effect of superconductivity on spin dynamics in (Y/sub 1-x/Re/sub x/)Rh4B4

International Nuclear Information System (INIS)

Kumagai, K.; Fradin, F.Y.

1982-01-01

An adiabatic field-cycle method has been used to study spin dynamics of RE ions in (Y/sub 1-x/RE/sub x/)Rh 4 B 4 . Longitudinal dipolar fluctuations of RE moments are found to be the main source of the nuclear spin-lattice relaxation time of 11 B. The variation of T 1 in the superconducting state is attributed to the reduction of the electronic spin-relaxation time, tau/sub m/, which is mainly determined by the RKKY type interaction mediated by the conduction electrons. 3 figures

Bandgap engineering of the Lu{sub x}Y{sub 1−x}PO{sub 4} mixed crystals

Energy Technology Data Exchange (ETDEWEB)

Levushkina, V.S., E-mail: viktoriia.levushkina@ut.ee [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Physics Faculty, Moscow State University, Leninskiye Gory 1-2, 11991 Moscow (Russian Federation); Spassky, D.A. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Skobeltsyn Institute of Nuclear Physics, Moscow State University, Leninskiye Gory 1-2, 11991 Moscow (Russian Federation); Aleksanyan, E.M. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); A. Alikhanyan National Science Laboratory, Yerevan Physics Institute, Alikhanyan Yeghbayrneri St. 2, 0036 Yerevan (Armenia); Brik, M.G. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); College of Sciences, Chongqing University of Posts and Telecommunications, 400065 Chongqing (China); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Tretyakova, M.S.; Zadneprovski, B.I. [Central Research and Development Institute of Chemistry and Mechanics, Nagatinskaya St. 16a, 115487 Moscow (Russian Federation); Belsky, A.N. [Institute of Light and Matter, CNRS, University Lyon1, 69622 Villeurbanne (France)

2016-03-15

Bandgap modification of the Lu{sub x}Y{sub 1−x}PO{sub 4} mixed crystals has been studied by thermostimulated luminescence (TSL) and ab-initio calculation methods. Doping of Lu{sub x}Y{sub 1−x}PO{sub 4} with Ce{sup 3+} allowed to follow up the changes of electron traps depth, caused by the modification of the bottom of conduction band. The observed gradual shift of the most intensive TSL peaks to higher temperatures with increase of x value was connected with the high-energy shift of the conduction band bottom. According to the band structure calculations the bottom of the conduction band is formed by the 5d and 4d states of Lu and Y, respectively. Therefore, substitution of one cation by another is responsible for the observed variation of the electronic and optical properties. Doping with Eu{sup 3+} was used to study the modification of the hole traps and the top of the valence band in Lu{sub x}Y{sub 1−x}PO{sub 4}. The independence of the TSL peaks position on x value in Lu{sub x}Y{sub 1−x}PO{sub 4}:Eu{sup 3+} allows to conclude that the top of the valence band is negligibly affected by the cation substitution. According to the band structure calculations the top of the valence band is formed by the O 2p electronic states, which are not affected by the cation substitution. The resulting increase of the bandgap with x value is confirmed by the data of ab-initio calculations. - Highlights: • Band structure modification with x in Lu{sub x}Y{sub 1−x}PO{sub 4}:RE{sup 3+} (RE=Ce, Eu) is studied. • Depth of electron traps is affected by the bandgap modification. • Increase of bandgap with x is due to the shift of conduction band bottom.

Synthesis and Characterization of Pyridino(1,4-Η-cyclohexa-1,3-dieneDerivatives of Iron Tricarbonyl Complexes

Directory of Open Access Journals (Sweden)

T. I. Odiaka

2011-01-01

Full Text Available In this synthesis, we have been able to show that, the addition of x- substituted pyridines, (X = H, 2- Me, 3- Me 4- Me, 4-NH2 and 4-N(CH32 to the dienyl ring of the organometallic cation, [(Fe(CO3 (1-5- η-2-Me0C3H6]BF4 and [(Fe(CO3(1-5-η-C6H7]BF4 gives ionic substituted diene products, (X C5H4-C6H6Y (Fe(CO3] BF4,Y=H or 2-MeO. The reaction takes place at ordinary room temperature. The resulting products were isolated and characterized.

Regioselective synthesis of 7,8-dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H-dione derivatives: A new drug-like heterocyclic scaffold

Directory of Open Access Journals (Sweden)

Nikolay T. Tzvetkov

2012-09-01

Full Text Available Dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H-dione derivatives were prepared by successive N3- and N1-alkylation of hydantoins, followed by regioselective thionation and subsequent cyclization under mild conditions. In a final alkylation step a further substituent may be introduced. The synthetic strategy allows broad structural variation of this new drug-like heterobicyclic scaffold. In addition to extensive NMR and MS analyses, the structure of one derivative was confirmed by X-ray crystallography.

Synthesis of [diene-"1"4C] curcumin at high specific activity

International Nuclear Information System (INIS)

Filer, Crist N.; Lacy, James M.; Wright, Christopher

2016-01-01

An efficient method is described to label curcumin with "1"4C at high specific activity. - Highlights: • This paper describes the synthesis of ["1"4C] Curcumin at the highest specific activity and total activity amount yet reported. • The "1"4C label was installed in the diene framework of Curcumin. • This paper also describes the characterization of ["1"4C] Curcumin by HPLC and mass spectrometry.

Thermodynamics and Long-Range Order of Nitrogen in γ'-Fe4N1-x

NARCIS (Netherlands)

Kooi, Bart J.; Somers, Marcel A.J.; Mittemeijer, Eric J.

1996-01-01

Models are given for the description of the chemical potential of nitrogen in γ'-Fe4N1-x. In previous work, γ'-Fe4N1-x was treated as a (sub)regular solution, thereby assuming that the N atoms are distributed randomly on the sites of their own sublattice. However, in γ'-Fe4N1-x, long-range ordering

(C2N2H10)[Fe xV1-x(HPO3)F3] (x = 0.44, 0.72): Two new organically templated phosphites

International Nuclear Information System (INIS)

Cisneros, Jose L.; Fernandez-Armas, Sergio; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

2006-01-01

(C 2 N 2 H 10 )[Fe x V 1-x (HPO 3 )F 3 ] (x = 0.44, 0.72) have been synthesized using mild solvothermal conditions under autogenous pressure and the ethylenediamine molecule as templating agent. The crystal structures have been determined from X-ray single-crystal diffraction data. The compounds crystallize in the orthorhombic P2 1 2 1 2 1 space group with Z = 4 and unit-cell parameters a = 12.8494(9), b = 9.5430(6), c = 6.4372(5) A, and a = 12.8578(1), b = 9.5342(1), c = 6.4370(7) A for (C 2 N 2 H 10 )[Fe 0.44 V 0.56 (HPO 3 )F 3 ] and (C 2 N 2 H 10 )[Fe 0.72 V 0.28 (HPO 3 )F 3 ] (1) and (2), respectively. These isostructural compounds exhibit a monodimensional crystal structure formed by pillared double anionic chains with the formula [M(HPO 3 )F 3 ] 2- , extended along the [0 0 1] direction. These doubled ionic chains are the result of the linking of two simple chains in which there are alternating octahedral [MO 3 F 3 ] and tetrahedral groups [HPO 3 ]. The ethylendiammonium cations are placed in the space delimited by three different chains. The metallic ions are interconnected by the pseudo-pyramidal (HPO 3 ) 2- phosphite oxoanions, adopting a slightly distorted octahedral geometry. The IR spectra show bands corresponding to the phosphite oxoanion and the ethylendiamonium cation at 2400 and 1600 cm -1 , respectively. The thermogravimetric analyses show that these phases are stable up to ca. 280 deg. C, at higher temperatures, the decomposition of the crystal structure begins by calcination of the organic cation and the elimination of the fluoride anions. The diffuse reflectance spectra show bands of the V 3+ ion (d 2 ) in octahedral symmetry. The values of the Dq (1540, 1540 cm -1 ), and Racah parameters, B (560, 535 cm -1 ) and C (3055, 3140 cm -1 ) for (1) and (2), respectively, correspond with those usually found for octahedrically coordinated V(III) compounds. Magnetic measurements, performed on a powered sample from 5.0 to 300 K at 1000 G, in the ZFC and