Highly efficient photocatalytic degradation of methylene blue by PoPD/TiO2 nanocomposite

PubMed Central

Dong, Wenping; Cui, Guanwei; Ren, Zongming

2017-01-01

The poly-o-phenylenediamine (PoPD)/TiO2 nanocomposite was successfully synthesized via ‘in situ’ oxidative polymerization method. The modified photocatalysts were characterized by BET, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier-transform infrarad spectra (FT-IR), thermogravimrtic analysis (TGA), X-ray photoelectron spectroscopy (XPS), Ultraviolet-visible diffuse reflectance spectrum (UV-Vis DRS) and Photocurrent Test. The results showed that the PoPD exists on the surface of TiO2, the presence of PoPD does not impact on the lattice structure and grain size of TiO2, and the presence of PoPD enhances the visible response and photoelectric property. The photocatalytic degradation of methylene blue (MB) was chosen as a model reaction to evaluate the photocatalytic activities of TiO2 and PoPD/TiO2. The optimal preparation condition was the molar ratio of oPD to TiO2 = 3:1, HCl concentration = 1.2 mol/L, the molar ratio of APS to oPD = 1:1. The apparent first-order rate constant kapp of PoPD/TiO2 nanocomposite was 0.0098 min-1, which is 6 times higher than TiO2 (0.0016 min-1). Meanwhile, the PoPD/TiO2 nanocomposites showed excellent photocatalytic stability, and the photocatalytic stability was depended on the stability of structure. At last, the photocatalytic mechanism of POPD/TiO2 nanocomposites was also proposed based on the synergetic effect between TiO2 and PoPD. PMID:28329007

New crystals of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O system

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

Makarova, I. P., E-mail: makarova@crys.ras.ru; Grebenev, V. V.; Komornikov, V. A.

2016-11-15

Cs{sub 6}H(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}){sub 4} crystals, grown for the first time based on an analysis of the phase diagram of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O ternary system, have been investigated by structural analysis using synchrotron radiation. The atomic structure of the crystals is determined and its specific features are analyzed.

Crystal structure, thermally stability and photoluminescence properties of novel Sr{sub 10}(PO{sub 4}){sub 6}O:Eu{sup 2+} phosphors

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

Guo, Qingfeng; Liao, Libing, E-mail: clayl@cugb.edu.cn; Mei, Lefu

2015-03-15

A series of novel luminescent phosphors Sr{sub 10}(PO{sub 4}){sub 6}O:Eu{sup 2+} with apatite structure were synthesized via a high temperature solid-state reaction. The phase structure, photoluminescence (PL) properties, the PL thermal stability, as well as the fluorescence decay curves of the samples were investigated to characterize the resulting samples, and the selected Sr{sub 9.97}(PO{sub 4}){sub 6}O:0.03Eu{sup 2+} phosphor exhibits strong thermal quenching resistance, retaining the luminance of 88.73% at 150 °C. The quenching concentration of Eu{sup 2+} in Sr{sub 10}(PO{sub 4}){sub 6}O was about 0.03 attributing to the dipole–quadrupole interaction. The Sr{sub 10}(PO{sub 4}){sub 6}O:Eu{sup 2+} phosphor exhibited a broad-bandmore » blue emission at 439 nm upon excitation at 346 nm. The results indicate that Sr{sub 10}(PO{sub 4}){sub 6}O:Eu{sup 2+} phosphors have potential applications as near UV-convertible phosphors for white-light UV LEDs. - Graphical abstract: Sr{sub 10}(PO{sub 4}){sub 6}O:Eu{sup 2+} phosphors have potential applications as near UV-convertible phosphors for white-light UV LEDs. - Highlights: • Sr{sub 9.97}(PO{sub 4}){sub 6}O:0.03Eu{sup 2+} phosphor exhibits strong thermal quenching resistance. • Two different Eu{sup 2+} emission centers exists in Sr{sub 10}(PO{sub 4}){sub 6}O. • The activation energy was also estimated for the Eu{sup 2+} luminescence center.« less

Clinical application of the pO(2)-pCO(2) diagram.

PubMed

Paulev, P-E; Siggaard-Andersen, O

2004-10-01

Based on the classic, linear blood gas diagram a logarithmic blood gas map was constructed. The scales were extended by the use of logarithmic axes in order to allow for high patient values. Patients with lung disorders often have high arterial carbon dioxide tensions, and patients on supplementary oxygen typically respond with high oxygen tensions off the scale of the classic diagram. Two case histories illustrate the clinical application of the logarithmic blood gas map. Variables from the two patients were measured by the use of blood gas analysis equipment. Measured and calculated values are tabulated. The calculations were performed using the oxygen status algorithm. When interpreting the graph for a given patient it is recommended first to observe the location of the marker for the partial pressure of oxygen in inspired, humidified air (I) to see whether the patient is breathing atmospheric air or air with supplementary oxygen. Then observe the location of the arterial point (a) to see whether hypoxemia or hypercapnia appears to be the primary disturbance. Finally observe the alveolo-arterial oxygen tension difference to estimate the degree of veno-arterial shunting. If the mixed venous point (v) is available, then observe the value of the mixed venous oxygen tension. This is the most important indicator of global tissue hypoxia.

Phase equilibria in the NaF-CdO-NaPO3 system at 873 K and crystal structure and physico-chemical characterizations of the new Na2CdPO4F fluorophosphate

NASA Astrophysics Data System (ADS)

Aboussatar, Mohamed; Mbarek, Aïcha; Naili, Houcine; El-Ghozzi, Malika; Chadeyron, Geneviève; Avignant, Daniel; Zambon, Daniel

2017-04-01

Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO3 system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO4 side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na2CdPO4F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1), c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na2CaPO4F and the fluorosilicate Ca2NaSiO4F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na2MIIPO4F (MII=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and 19F, 23Na, 31P MAS NMR characterizations of Na2CdPO4F have been investigated.

Stability diagram for dense suspensions of model colloidal Al2O3 particles in shear flow.

PubMed

Hecht, Martin; Harting, Jens; Herrmann, Hans J

2007-05-01

In Al2O3 suspensions, depending on the experimental conditions, very different microstructures can be found, comprising fluidlike suspensions, a repulsive structure, and a clustered microstructure. For technical processing in ceramics, the knowledge of the microstructure is of importance, since it essentially determines the stability of a workpiece to be produced. To enlighten this topic, we investigate these suspensions under shear by means of simulations. We observe cluster formation on two different length scales: the distance of nearest neighbors and on the length scale of the system size. We find that the clustering behavior does not depend on the length scale of observation. If interparticle interactions are not attractive the particles form layers in the shear flow. The results are summarized in a stability diagram.

Crystal structure and Temperature-Dependent Luminescence Characteristics of KMg4(PO4)3:Eu2+ phosphor for White Light-emitting diodes

PubMed Central

Chen, Jian; Liu, Yangai; Mei, Lefu; Liu, Haikun; Fang, Minghao; Huang, Zhaohui

2015-01-01

The KMg4(PO4)3:Eu2+ phosphor was prepared by the conventional high temperature solid-state reaction. The crystal structure, luminescence and reflectance spectra, thermal stability, quantum efficiency and the application for N-UV LED were studied respectively. The phase formation and crystal structure of KMg4(PO4)3:Eu2+ were confirmed from the powder X-ray diffraction and the Rietveld refinement. The concentration quenching of Eu2+ in the KMg4(PO4)3 host was determined to be 1mol% and the quenching mechanism was certified to be the dipole–dipole interaction. The energy transfer critical distance of as-prepared phosphor was calculated to be about 35.84Å. Furthermore, the phosphor exhibited good thermal stability and the corresponding activation energy ΔE was reckoned to be 0.24eV. Upon excitation at 365nm, the internal quantum efficiency of the optimized KMg4(PO4)3:Eu2+ was estimated to be 50.44%. The white N-UV LEDs was fabricated via KMg4(PO4)3:Eu2+, green-emitting (Ba,Sr)2SiO4:Eu2+, and red-emitting CaAlSiN3:Eu2+ phosphors with a near-UV chip. The excellent color rendering index (Ra = 96) at a correlated color temperature (5227.08K) with CIE coordinates of x = 0.34, y = 0.35 of the WLED device indicates that KMg4(PO4)3:Eu2+ is a promising blue-emitting phosphor for white N-UV light emitting diodes (LEDs). PMID:25855866

Crystal structure and temperature-dependent luminescence characteristics of KMg4(PO4)3:Eu(2+) phosphor for white light-emitting diodes.

PubMed

Chen, Jian; Liu, Yangai; Mei, Lefu; Liu, Haikun; Fang, Minghao; Huang, Zhaohui

2015-04-09

The KMg4(PO4)3:Eu(2+) phosphor was prepared by the conventional high temperature solid-state reaction. The crystal structure, luminescence and reflectance spectra, thermal stability, quantum efficiency and the application for N-UV LED were studied respectively. The phase formation and crystal structure of KMg4(PO4)3:Eu(2+) were confirmed from the powder X-ray diffraction and the Rietveld refinement. The concentration quenching of Eu(2+) in the KMg4(PO4)3 host was determined to be 1 mol% and the quenching mechanism was certified to be the dipole-dipole interaction. The energy transfer critical distance of as-prepared phosphor was calculated to be about 35.84 Å. Furthermore, the phosphor exhibited good thermal stability and the corresponding activation energy ΔE was reckoned to be 0.24 eV. Upon excitation at 365 nm, the internal quantum efficiency of the optimized KMg4(PO4)3:Eu(2+) was estimated to be 50.44%. The white N-UV LEDs was fabricated via KMg4(PO4)3:Eu(2+), green-emitting (Ba,Sr)2SiO4:Eu(2+), and red-emitting CaAlSiN3:Eu(2+) phosphors with a near-UV chip. The excellent color rendering index (Ra = 96) at a correlated color temperature (5227.08 K) with CIE coordinates of x = 0.34, y = 0.35 of the WLED device indicates that KMg4(PO4)3:Eu(2+) is a promising blue-emitting phosphor for white N-UV light emitting diodes (LEDs).

Luminescence properties of Na2Sr2Al2PO4Cl9:Sm3+ phosphor

NASA Astrophysics Data System (ADS)

Tamboli, Sumedha; Shahare, D. I.; Dhoble, S. J.

2018-04-01

A series of Sm3+ ions doped Na2Sr2Al2PO4Cl9 phosphors were synthesized via solid state synthesis method. Photoluminescence (PL) emission spectra were obtained by keeping excitation wavelength at 406 nm. Emission spectra show three emission peaks at 563 nm, 595 nm and 644 nm. The CIE chromaticity diagram shows emission colour of the phosphor in the orange-red region of the visible spectrum, indicating that the phosphor may be useful in preparing orange light-emitting diodes. Na2Sr2Al2PO4Cl9:Sm3+ phosphors were irradiated by γ-rays from a 60Co source and β-rays from a 90Sr source. Their thermoluminescence (TL) glow curves were obtained by Nucleonix 1009I TL reader. TL Trapping parameters such as activation energy of trapped electrons and order of kinetics were obtained by using Chen's peak shape method, Glow curve fitting method and initial rise method.

The Legacy of NASA Astrophysics E/PO: Conducting Professional Development, Developing Key Themes & Resources, and Broadening E/PO Audiences

NASA Astrophysics Data System (ADS)

Lawton, Brandon L.; Smith, Denise A.; Meinke, Bonnie K.; Bartolone, Lindsay; Manning, Jim; Schultz, Gregory R.; NASA Astrophysics E/PO Community

2016-01-01

For the past six years, NASA's Science Mission Directorate (SMD) has coordinated the work of its mission- and program-embedded education and public outreach (E/PO) efforts through four forums representing its four science divisions. The Astrophysics Forum, as the others, has built on SMD's long-standing principle of partnering scientists and educators and embedding E/PO in its missions to encourage and coordinate collaborative efforts to make the most efficient and effective use of NASA resources, personnel, data and discoveries in leveraged ways, in support of the nation's science education. Three priorities established early in the Forum's period of activity were to collaboratively enhance professional development for formal and informal educators, develop key themes & resources centered on astrophysics topics, and broaden the reach of astrophysics E/PO to traditionally underserved audiences in STEM subjects. This presentation will highlight some of the achievements of the Astrophysics E/PO community and Forum in these priority areas. This work constitutes an ongoing legacy--a firm foundation on which the new structure of NASA SMD education efforts will go forward.

Structure of Cs{sub 4}(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}) single crystals

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

Makarova, I. P., E-mail: makarova@crys.ras.ru; Grebenev, V. V.; Vasil’ev, I. I.

2016-01-15

Single crystals of Cs{sub 4}(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}) are synthesized and studied for the first time. The new compound is found in the course of studies of the phase diagram of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O triple system. Data on the atomic crystal structure of single-crystalline and powder specimens, as well as on structural phase transitions, are obtained.

Electrode Reaction Mechanism of Ag 2VO 2PO 4 Cathode

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

Zhang, Ruibo; Abtew, Tesfaye A.; Quackenbush, Nicholas F.

In this study, the high capacity of primary lithium-ion cathode Ag 2VO 2PO 4 is facilitated by both displacement and insertion reaction mechanisms. Whether the Ag extrusion (specifically, Ag reduction with Ag metal displaced from the host crystal) and V reduction are sequential or concurrent remains unclear. A microscopic description of the reaction mechanism is required for developing design rules for new multimechanism cathodes, combining both displacement and insertion reactions. However, the amorphization of Ag 2VO 2PO 4 during lithiation makes the investigation of the electrode reaction mechanism difficult with conventional characterization tools. For addressing this issue, a combination ofmore » local probes of pair-distribution function and X-ray spectroscopy were used to obtain a description of the discharge reaction. We determine that the initial reaction is dominated by silver extrusion with vanadium playing a supporting role. In addition, once sufficient Ag has been displaced, the residual Ag + in the host can no longer stabilize the host structure and V–O environment (i.e., onset of amorphization). After amorphization, silver extrusion continues but the vanadium reduction dominates the reaction. As a result, the crossover from primarily silver reduction displacement to vanadium reduction is facilitated by the amorphization that makes vanadium reduction increasingly more favorable.« less

Electrode Reaction Mechanism of Ag 2VO 2PO 4 Cathode

DOE PAGES

Zhang, Ruibo; Abtew, Tesfaye A.; Quackenbush, Nicholas F.; ...

2016-05-09

In this study, the high capacity of primary lithium-ion cathode Ag 2VO 2PO 4 is facilitated by both displacement and insertion reaction mechanisms. Whether the Ag extrusion (specifically, Ag reduction with Ag metal displaced from the host crystal) and V reduction are sequential or concurrent remains unclear. A microscopic description of the reaction mechanism is required for developing design rules for new multimechanism cathodes, combining both displacement and insertion reactions. However, the amorphization of Ag 2VO 2PO 4 during lithiation makes the investigation of the electrode reaction mechanism difficult with conventional characterization tools. For addressing this issue, a combination ofmore » local probes of pair-distribution function and X-ray spectroscopy were used to obtain a description of the discharge reaction. We determine that the initial reaction is dominated by silver extrusion with vanadium playing a supporting role. In addition, once sufficient Ag has been displaced, the residual Ag + in the host can no longer stabilize the host structure and V–O environment (i.e., onset of amorphization). After amorphization, silver extrusion continues but the vanadium reduction dominates the reaction. As a result, the crossover from primarily silver reduction displacement to vanadium reduction is facilitated by the amorphization that makes vanadium reduction increasingly more favorable.« less

Stability of luminescence in LaPO4, LaPO4 :RE(3+) (RE = Dy, Eu) nanophosphors.

PubMed

Pimpalshende, D M; Dhoble, S J

2015-03-01

The property of high refractive index, low solubility in water as well as stability to high temperature variation of lanthanum phosphate (LaPO4 ) proved it was the most effective candidate for the production of display lamps, and plasma display panel devices and sensors. The morphological and nanostructural characteristics play a key role in the working efficiency of the luminescent material. These properties can be controlled by the synthesis method, which we have adopted in this paper. We have prepared LaPO4 nanoparticles at a relatively low temperature (110 ºC) in polyethylene glycol medium by using a wet chemical one-step synthesis. The phase composition and structural properties of the sample have been characterized by X-ray diffraction, Fourier transform infrared, transmission electron microscopy and the luminescent property by photoluminescence and thermoluminescence. The samples were well crystallized and the average crystallite size of 15 nm has been calculated for pure LaPO4 using the Debye-Scherrer equation. The result from heat-treated samples shows the phase combination and morphological structure of the powder depend on the annealing temperature. The heat treatment changes the structure of LaPO4 from cuboid rods to fine grains at about 600 °C. The emission spectrum of LaPO4 shows the broad emission band at 368 nm and shoulder at 465 nm with emission of blue color when monitored at an excitation wavelength at 256 nm. The stability of phosphor has been studied with respect to humidity, temperature, doping, doping concentration, γ-ray exposures, etc. The prepared nanosized phosphors were thermally stable and may be a promising blue phosphor for lighting technology as well as radiation dosimetry. Copyright © 2014 John Wiley & Sons, Ltd.

Photoluminescence properties and thermal stability of blue-emitting Ba5-xCl(PO4)3:xEu2+ (0.004≤x≤0.016) phosphors.

PubMed

Liu, Jie; Zhang, Zhi-Ming; Wu, Zhan-Chao; Wang, Fang-Fang; Li, Zhen-Jiang; Kuang, Shao-Ping; Wu, Ming-Mei

2017-01-15

A series of blue-emitting Ba 5-x Cl(PO 4 ) 3 :xEu 2+ (0.004≤x≤0.016) phosphors were synthesized by conventional high-temperature solid state reaction. The structure and photoluminescence (PL) properties of the phosphors were investigated. The as-prepared phosphors exhibit broad excitation band ranging from 250 to 420nm, and strong asymmetric blue emission band peaking at 436nm. The optimum concentration of Eu 2+ in the Ba 5 Cl(PO 4 ) 3 :Eu 2+ phosphor is x=0.01, and the concentration quenching mechanism is verified to be the combined actions of dipole-dipole interaction and radiation re-absorption mechanism. The thermal stability of Ba 5 Cl(PO 4 ) 3 :Eu 2+ was evaluated by temperature-dependent PL spectra. Compared with that of commercial BaMgAl 10 O 17 :Eu 2+ (BAM) phosphor, the Ba 5-x Cl(PO 4 ) 3 :xEu 2+ phosphors exhibit similarly excellent thermal quenching property. In addition, the CIE chromaticity coordinates of Ba 5-x Cl(PO 4 ) 3 :xEu 2+ (0.004≤x≤0.016) were calculated to evaluate the color quality. All the results indicate that Ba 5 Cl(PO 4 ) 3 :Eu 2+ is a promising candidate phosphor for near-ultraviolet (n-UV) pumped LED. Copyright © 2016 Elsevier B.V. All rights reserved.

Influence of temperature and frequency on ionic conductivity of Li{sub 3}PO{sub 4}–Pb{sub 3}(PO{sub 4}){sub 2}–BiPO{sub 4} phosphate glasses

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

El Moudane, M., E-mail: m.elmoudane@gmail.com; El Maniani, M.; Sabbar, A.

2015-12-15

Highlights: • Results of ionic conductivities of Li{sub 3}PO{sub 4}–Pb{sub 3}(PO{sub 4}){sub 2}–BiPO{sub 4} phosphate glasses. • Determination of glass transition temperature using DSC method. • Study of temperature and frequency on ionic conductivity of Li{sub 3}PO{sub 4}–Pb{sub 3}(PO{sub 4}){sub 2}–BiPO{sub 4} phosphate glasses. - Abstract: Lithium–Lead–Bismuth phosphates glasses having, a composition 30Li{sub 3}PO{sub 4}–(70 − x)Pb{sub 3}(PO{sub 4}){sub 2}–xBiPO{sub 4} (45 ≤ x ≤ 60 mol%) were prepared by using the melt quenching method 1000 °C. The thermal stability of theses glasses increases with the substitution of Bi{sub 2}O{sub 3} with PbO. The ionic conductivity of all compositions havemore » been measured over a wide temperature (200–500 °C) and frequency range (1–106 Hz). The ionic conductivity data below and above T{sub g} follows Arrhenius and Vogel–Tamman–Fulcher (VTF) relationship, respectively. The activation energies are estimated and discussed. The dependence in frequency of AC conductivity is found to obey Jonscher’s relation.« less

Preventing structural degradation from Na3V2(PO4)3 to V2(PO4)3: F-doped Na3V2(PO4)3/C cathode composite with stable lifetime for sodium ion batteries

NASA Astrophysics Data System (ADS)

Chen, Yanjun; Xu, Youlong; Sun, Xiaofei; Zhang, Baofeng; He, Shengnan; Li, Long; Wang, Chao

2018-02-01

A prospective NASICON-type F-doped Na3V2(PO4)2.93F0.07/C (F-0.07-NVP/C) composite is synthesized by a solid-state reaction method. F-doping can restrain the structural degradation from Na3V2(PO4)3 to V2(PO4)3 and enhance the structural stability. Meanwhile, it can decrease the particle size to diminish the pathway of Na+ diffusion, which can increase ionic conductivity efficiently. The kinetic behavior is significantly improved and it is beneficial to reinforcing the electrochemical performance of F-doping composites. Compared with Undoped-NVP/C sample, F-0.07-NVP/C composite delivers a 113 mAh g-1 discharge capacity at 10 mA g-1, which is very close to the theoretical capacity (117 mAh g-1). As for cycle performance, a reversible capacity of 97.8 mAh g-1 can be obtained and it retains 86% capacity after 1000 cycles at 200 mA g-1. F-0.07-NVP/C composite presents the highest DNa+ (2.62 × 10-15 cm2s-1), two orders of magnitude higher than the undoped sample (4.8 × 10-17 cm2s-1). This outstanding electrochemical performance is ascribed to the synergetic effect from improved kinetic behavior and enhanced structural stability due to F-doping. Hence, the F-doped composite would be a promising cathode material in SIB for energy storage and conversion.

Photoluminescence and thermoluminescence properties of Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor

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

Gupta, Palvi; Bedyal, A.K.; Kumar, Vinay, E-mail: vinaykdhiman@yahoo.com

2014-12-15

Energy level diagram of Tb{sup 3+} ion in the K{sub 3}Gd(PO{sub 4}){sub 2} host lattice. - Highlights: • First time, a detailed TL and PL study on undoped and Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor. • Combustion method was employed to synthesize the Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor. • Mechanism of excitation and emission in undoped and Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2} nanophosphor was given. - Abstract: Tb{sup 3+} doped nanoparticulate K{sub 3}Gd(PO{sub 4}){sub 2} phosphor was prepared by combustion method using urea as a fuel. The structure, optical and luminescent properties ofmore » the phosphor were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), diffuse reflectance spectroscopy (DRS), photoluminescence spectroscopy (PL), and thermoluminescence (TL) spectroscopy. In undoped K{sub 3}Gd(PO{sub 4}){sub 2}, the excitation and emission peaks at 273 nm and 323 nm belongs to the {sup 8}S{sub 7/2} → {sup 6}I{sub J(J=7/2)} and {sup 6}P{sub J(J=7/2)} → {sup 8} S{sub 7/2} transitions of Gd{sup 3+} while green emission was observed in the Tb{sup 3+} doped K{sub 3}Gd(PO{sub 4}){sub 2}. TL study was carried out after exposing the samples to γ-radiations (0.1–5 kGy) in the K{sub 3}Gd(PO{sub 4}){sub 2}:Tb{sup 3+} (1.5 mol%). The calculated kinetic parameters were compared with different methods. The band gap of the phosphor was estimated as 5.80 eV. The green shade of the Tb{sup 3+} ion with the CIE coordinates (x, y) as (0.29, 0.54) was in good agreement with the well known green phosphors.« less

Phase equilibria in the NaF-CdO-NaPO{sub 3} system at 873 K and crystal structure and physico-chemical characterizations of the new Na{sub 2}CdPO{sub 4}F fluorophosphate

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

Aboussatar, Mohamed; Laboratoire de Physico-Chimie de l’État Solide, Faculté des Sciences de Sfax, Université de Sfax, BP 1171, 3000 Sfax; Mbarek, Aïcha

Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO{sub 3} system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO{sub 4} side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na{sub 2}CdPO{sub 4}F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1),more » c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na{sub 2}CaPO{sub 4}F and the fluorosilicate Ca{sub 2}NaSiO{sub 4}F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na{sub 2}M{sup II}PO{sub 4}F (M{sup II}=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and {sup 19}F, {sup 23}Na, {sup 31}P MAS NMR characterizations of Na{sub 2}CdPO{sub 4}F have been investigated. - Graphical abstract: The structure of the compound Na{sub 2}CdPO{sub 4}F, discovered during the study of the phase relationships in the NaF-CdO-NaPO{sub 3} system, has been determined and compared with other Na{sub 2}M{sup II}PO{sub 4}F fluorophosphates. - Highlights: • XRD analysis of the isothermal section of the NaF-CdO-NaPO{sub 3} system at 923 K. • Rietveld refinement of the high temperature polymorph β-NaCdPO{sub 4}. • Crystal structure of the new Na{sub 2}CdPO{sub 4}F fluorophosphate determined from powder XRD. • Crystal structure - composition relationships of Na{sub 2}M{sup II}PO{sub 4}F

Scientist-Educator Partnerships: the Cornerstone of Astrophysics E/PO

NASA Astrophysics Data System (ADS)

Meinke, Bonnie K.; Smith, Denise A.; Lawton, Brandon; Eisenhamer, Bonnie; Jirdeh, Hussein

2015-11-01

For nearly two decades, NASA has partnered scientists and educators by embedding Education and Public Outreach (E/PO) programs and funding in its science missions and research activities. This enables scientist and educators to work side-by-side in translating cutting-edge NASA science and technology for classrooms, museums, and public venues.The Office of Public Outreach at the Space Telescope Science Institute (STScI) is uniquely poised to foster collaboration between scientists with content expertise and educators with pedagogy expertise. As home to both Hubble Space Telescope and the future James Webb Space Telescope, STScI leverages the expertise of its scientists to create partnerships with its collocated Education Team to translate cutting-edge NASA science into new and effective learning tools. In addition, STScI is home of the NASA Science Mission Directorate (SMD) Astrophysics Science E/PO Forum, which facilitates connections both within the SMD E/PO community and beyond to scientists and educators across all NASA Astrophysics missions. These collaborations strengthen partnerships, build best practices, and enhance coherence for NASA SMD-funded E/PO missions and programs.We will present examples of astronomers’ engagement in our E/PO efforts, such as NASA Science4Girls.

Phase stability in nanoscale material systems: extension from bulk phase diagrams

NASA Astrophysics Data System (ADS)

Bajaj, Saurabh; Haverty, Michael G.; Arróyave, Raymundo; Goddard Frsc, William A., III; Shankar, Sadasivan

2015-05-01

Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by

Pourbaix ("E"-pH-M) Diagrams in Three Dimensions

ERIC Educational Resources Information Center

Pesterfield, Lester L.; Maddox, Jeremy B.; Crocker, Michael S.; Schweitzer, George K.

2012-01-01

"E"-pH (Pourbaix) diagrams provide an important graphical link between the thermodynamic calculations of potential, pH, equilibrium constant, concentration, and changes in Gibbs energy and the experimentally observed behavior of species in aqueous solutions. The utility of "E"-pH diagrams is extended with the introduction of an additional…

High pressure structural investigation on alluaudites Na{sub 2}Fe{sub 3}(PO{sub 4}){sub 3}-Na{sub 2}FeMn{sub 2}(PO{sub 4}){sub 3} system

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

Gao, Jing; Huang, Weifeng; Qin, Shan

Alluaudites are promising electrochemical materials benefited from the open structure. Structural variations of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) system have been studied by synchrotron radiation X-ray diffraction combined with diamond anvil cell technique up to ~10 GPa at room temperature. No phase transition is observed. The excellent structural stability is mainly due to the flexible framework plus strong covalent P-O bond. Mn{sup 2+} instead of Fe can be described as Na{sup +}+2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy. The replacement of Fe with larger Mn{sup 2+} is equivalentmore » to applying negative chemical pressure to the material. And it causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe. External pressure effect produces anisotropic lattice shrinkage. Structural considerations related to these variations and promising application prospects are discussed. - Graphical abstract: Figure 1 The crystal structure of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) projected along the c-axis. Alluaudites adopt a flexible framework plus strong covalent P-O bond, which contribute to excellent structural stability up to ~10 GPa. Mn{sup 2+} instead of Fe can be described as Na{sup ++}2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy, and it is equivalent to applying negative chemical pressure to the host. The substitution causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe.« less

3.0 V High Energy Density Symmetric Sodium-Ion Battery: Na4V2(PO4)3∥Na3V2(PO4)3.

PubMed

Yao, Xuhui; Zhu, Zixuan; Li, Qi; Wang, Xuanpeng; Xu, Xiaoming; Meng, Jiashen; Ren, Wenhao; Zhang, Xinhe; Huang, Yunhui; Mai, Liqiang

2018-03-28

Symmetric sodium-ion batteries (SIBs) are considered as promising candidates for large-scale energy storage owing to the simplified manufacture and wide abundance of sodium resources. However, most symmetric SIBs suffer from suppressed energy density. Here, a superior congeneric Na 4 V 2 (PO 4 ) 3 anode is synthesized via electrochemical preintercalation, and a high energy density symmetric SIB (Na 3 V 2 (PO 4 ) 3 as a cathode and Na 4 V 2 (PO 4 ) 3 as an anode) based on the deepened redox couple of V 4+ /V 2+ is built for the first time. When measured in half cell, both electrodes show stabilized electrochemical performance (over 3000 cycles). The symmetric SIBs exhibit an output voltage of 3.0 V and a cell-level energy density of 138 W h kg -1 . Furthermore, the sodium storage mechanism under the expanded measurement range of 0.01-3.9 V is disclosed through an in situ X-ray diffraction technique.

Sky Fest: A Model of Successful Scientist Participation in E/PO

NASA Astrophysics Data System (ADS)

Dalton, H.; Shipp, S. S.; Shaner, A. J.; LaConte, K.; Shupla, C. B.

2014-12-01

Participation in outreach events is an easy way for scientists to get involved with E/PO and reach many people with minimal time commitment. At the Lunar and Planetary Institute (LPI) in Houston, Texas, the E/PO team holds Sky Fest outreach events several times a year. These events each have a science content theme and include several activities for children and their parents, night sky viewing through telescopes, and scientist presentations. LPI scientists have the opportunity to participate in Sky Fest events either by helping lead an activity or by giving the scientist presentation (a short lecture and/or demonstration). Scientists are involved in at least one preparation meeting before the event. This allows them to ask questions, understand what activity they will be leading, and learn the key points that they should be sharing with the public, as well as techniques for effectively teaching members of the public about the event topic. During the event, each activity is run by one E/PO specialist and one scientist, enabling the scientist to learn about effective E/PO practices from the E/PO specialist and the E/PO specialist to get more science information about the event topic. E/PO specialists working together with scientists at stations provides a more complete, richer experience for event participants. Surveys of event participants have shown that interacting one-on-one with scientists is often one of their favorite parts of the events. Interviews with scientists indicated that they enjoyed Sky Fest because there was very little time involved on their parts outside of the actual event; the activities were created and/or chosen by the E/PO professionals, and setup for the events was completed before they arrived. They also enjoyed presenting their topic to people without a background in science, and who would not have otherwise sought out the information that was presented.

Combinatorial search for green and blue phosphors of high thermal stabilities under UV excitation based on the K(Sr1-x-y)PO4:Tb3+ xEu2+y system.

PubMed

Chan, Ting-Shan; Liu, Yao-Min; Liu, Ru-Shi

2008-01-01

The present investigation aims at the synthesis of KSr 1-x-y PO 4:Tb(3+) x Eu(2+) y phosphors using the combinatorial chemistry method. We have developed square-type arrays consisting of 121 compositions to investigate the optimum composition and luminescence properties of KSrPO 4 host matrix under 365 nm ultraviolet (UV) light. The optimized compositions of phosphors were found to be KSr 0.93PO 4:Tb(3+) 0.07 (green) and KSr 0.995PO 4:Eu(2+) 0.005 (blue). These phosphors showed good thermal luminescence stability better than commercially available YAG:Ce at temperature above 200 degrees C. The result indicates that the KSr 1-x-y PO 4:Tb(3+) x Eu (2+)y can be potentially useful as a UV radiation-converting phosphor for light-emitting diodes.

Sodium intercalation in the phosphosulfate cathode NaFe2(PO4)(SO4)2

NASA Astrophysics Data System (ADS)

Ben Yahia, Hamdi; Essehli, Rachid; Amin, Ruhul; Boulahya, Khalid; Okumura, Toyoki; Belharouak, Ilias

2018-04-01

The compound NaFe2(PO4)(SO4)2 is successfully synthesized via a solid state reaction route and its crystal structure is determined using powder X-ray diffraction data. NaFe2(PO4)(SO4)2 phase is also characterized by cyclic voltammetry, galvanostatic cycling and electrochemical impedance spectroscopy. NaFe2(PO4)(SO4)2 crystallizes with the well-known NASICON-type structure. SAED and HRTEM experiments confirm the structural model, and no ordering between the PO4-3 and SO4-2 polyanions is detected. The electrochemical tests indicate that NaFe2(PO4)(SO4)2 is a 3 V sodium intercalating cathode. The electrical conductivity is relatively low (2.2 × 10-6 Scm-1 at 200 °C) and the obtained activation energy is ∼0.60eV. The GITT experiments indicate that the diffusivity values are in the range of 10-11-10-12 cm2/s within the measured sodium concentrations.

Pnicogen bonded complexes of PO2X (X = F, Cl) with nitrogen bases.

PubMed

Alkorta, Ibon; Elguero, José; Del Bene, Janet E

2013-10-10

An ab initio MP2/aug'-cc-pVTZ study has been carried out on complexes formed between PO2X (X = F and Cl) as the Lewis acids and a series of nitrogen bases ZN, including NH3, H2C═NH, NH2F, NP, NCH, NCF, NF3, and N2. Binding energies of these complexes vary from -10 to -150 kJ/mol, and P-N distances from 1.88 to 2.72 Å. Complexes ZN:PO2F have stronger P(...)N bonds and shorter P-N distances than the corresponding complexes ZN:PO2Cl. Charge transfer from the N lone pair through the π-hole to the P-X and P-O σ* orbitals leads to stabilization of these complexes, although charge-transfer energies can be evaluated only for complexes with binding energies less than -71 kJ/mol. Complexation of PO2X with the strongest bases leads to P···N bonds with a significant degree of covalency, and P-N distances that approach the P-N distances in the molecules PO2NC and PO2NH2. In these complexes, the PO2X molecules distort from planarity. Changes in (31)P absolute chemical shieldings upon complexation do not correlate with changes in charges on P, although they do correlate with the binding energies of the complexes. EOM-CCSD spin-spin coupling constants (1p)J(P-N) are dominated by the Fermi-contact term, which is an excellent approximation to total J. (1p)J(P-N) values are small at long distances, increase as the distance decreases, but then decrease at short P-N distances. At the shortest distances, values of (1p)J(P-N) approach (1)J(P-N) for the molecules PO2NC and PO2NH2.

Low collectivity of the first 2+ states of 212,210Po

NASA Astrophysics Data System (ADS)

Kocheva, D.; Rainovski, G.; Jolie, J.; Pietralla, N.; Blazhev, A.; Astier, A.; Altenkirch, R.; Bast, M.; Beckers, M.; Ansari, S.; Braunroth, Th.; Cappellazzo, M.; Cortés, M. L.; Dewald, A.; Diel, F.; Djongolov, M.; Fransen, C.; Gladnishki, K.; Goldkuhle, A.; Hennig, A.; Karayonchev, V.; Keatings, J. M.; Kluge, E.; Kröll, Th.; Litzinger, J.; Moschner, K.; Müller-Gatermann, C.; Petkov, P.; Rudigier, M.; Scheck, M.; Spagnoletti, P.; Scholz, Ph.; Schmidt, T.; Spieker, M.; Stahl, C.; Stegmann, R.; Stolz, A.; Vogt, A.; Stoyanova, M.; Thöle, P.; Warr, N.; Werner, V.; Witt, W.; Wölk, D.; Zamora, J. C.; Zell, K. O.; Van Isacker, P.; Ponomarev, V. Yu.

2018-05-01

The lifetimes of the first 2+ excited states of 212,210Po were measured in two transfer reactions 208Pb(12C,8Be)212Po and 208Pb(12C,10Be)210Po by the Recoil Distance Doppler Shift (RDDS) method and by the Doppler Shift Attenuation method (DSAM), respectively. The derived absolute B(E2) values of 2.6(3) W.u. for 212Po and 1.83(28) W.u. for 210Po indicate low collectivity. It is shown that the properties of the yrast {2}1+, {4}1+, {6}1+ and {8}1+ states in both nuclei cannot be described consistently in the framework of nuclear shell models. It is also demonstrated in the case of 210Po that Quasi-particle Phonon Model (QPM) calculations cannot overcome this problem thus indicating the existence of a peculiarity which is neglected in both theoretical approaches.

Luminescence and thermal stability tuning in (Ba,Mn)3(Gd,Y)Na(PO4)5F:Eu2+ phosphors via cation-substitution

NASA Astrophysics Data System (ADS)

Mei, Juan; Lv, Lemin; Gao, Junsong; Wei, Yi; Feng, Yuxin; Yan, Chunjie; Li, Guogang

2018-04-01

In this work, [Y3+-Gd3+] and [Mn2+-Ba2+] substitutions were designed in Ba3GdNa(PO4)5F:Eu2+ system, which were marked as BG1-xYxNPF:Eu2+ and B1-yMyGNPF:Eu2+, respectively. It is found that their luminescence properties and thermal stability could be obviously tuned. For BG1-xYxNPF:Eu2+ series, under 365 nm UV light, the emission spectra exhibited a continuous red-shift from 458 nm (x = 0) to 485 nm (x = 1) with the corresponding luminescence varying from blue light to cyan light. For B1-yMyGNPF:Eu2+ series, it was observed the coexistence of blue-green and enhanced red emission of Eu2+ and the appearance of Eu3+ emission when Mn2+ partly substituted Ba2+, resulting in a final white emission. In addition, the thermal stabilities of B1-yMyGNPF:Eu2+ were obviously improved with Mn2+ doping. The corresponding luminescence and thermal stability tuning mechanisms were investigated.

3D Interconnected Carbon Fiber Network-Enabled Ultralong Life Na3 V2 (PO4 )3 @Carbon Paper Cathode for Sodium-Ion Batteries.

PubMed

Kretschmer, Katja; Sun, Bing; Zhang, Jinqiang; Xie, Xiuqiang; Liu, Hao; Wang, Guoxiu

2017-03-01

Sodium-ion batteries (NIBs) are an emerging technology, which can meet increasing demands for large-scale energy storage. One of the most promising cathode material candidates for sodium-ion batteries is Na 3 V 2 (PO 4 ) 3 due to its high capacity, thermal stability, and sodium (Na) Superionic Conductor 3D (NASICON)-type framework. In this work, the authors have significantly improved electrochemical performance and cycling stability of Na 3 V 2 (PO 4 ) 3 by introducing a 3D interconnected conductive network in the form of carbon fiber derived from ordinary paper towel. The free-standing Na 3 V 2 (PO 4 ) 3 -carbon paper (Na 3 V 2 (PO 4 ) 3 @CP) hybrid electrodes do not require a metallic current collector, polymeric binder, or conducting additives to function as a cathode material in an NIB system. The Na 3 V 2 (PO 4 ) 3 @CP cathode demonstrates extraordinary long term cycling stability for 30 000 deep charge-discharge cycles at a current density of 2.5 mA cm -2 . Such outstanding cycling stability can meet the stringent requirements for renewable energy storage. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photocatalytic activity of Ag3PO4 nanoparticle/TiO2 nanobelt heterostructures

NASA Astrophysics Data System (ADS)

Liu, Ruoyu; Hu, Peiguang; Chen, Shaowei

2012-10-01

Heterostructures based on Ag3PO4 nanoparticles and TiO2 nanobelts were prepared by a coprecipitation method. The crystalline structures were characterized by X-ray diffraction measurements. Electron microscopic studies showed that the Ag3PO4 nanoparticles and TiO2 nanobelts were in intimate contact which might be exploited to facilitate charge transfer between the two semiconductor materials. In fact, the heterostructures exhibited markedly enhanced photocatalytic activity as compared with unmodified TiO2 nanobelts or commercial TiO2 colloids in the photodegradation of methyl orange under UV irradiation. This was accounted for by the improved efficiency of interfacial charge separation thanks to the unique alignments of their band structures. Remarkably, whereas the photocatalytic activity of the heterostructure was comparable to that of Ag3PO4 nanoparticles alone, the heterostructures exhibited significantly better stability and reusability in repeated tests than the Ag3PO4 nanoparticles.

Tools for Scientist Engagement in E/PO: NASA SMD Community Workspace and Online Resources

NASA Astrophysics Data System (ADS)

Dalton, H.; Shipp, S. S.; Grier, J.; Gross, N. A.; Buxner, S.; Bartolone, L.; Peticolas, L. M.; Woroner, M.; Schwerin, T. G.

2014-12-01

The Science Mission Directorate (SMD) Science Education and Public Outreach (E/PO) Forums are here to help you get involved in E/PO! The Forums have been developing several online resources to support scientists who are - or who are interested in becoming - involved in E/PO. These include NASA Wavelength, EarthSpace, and the SMD E/PO online community workspace. NASA Wavelength is the one-stop shop of all peer-reviewed NASA education resources to find materials you - or your audiences - can use. Browse by audience (pre-K through 12, higher education, and informal education) or topic, or choose to search for something specific by keyword and audience. http://nasawavelength.org. EarthSpace, an online clearinghouse of Earth and space materials for use in the higher education classroom, is driven by a powerful search engine that allows you to browse the collection of resources by science topic, audience, type of material or key terms. All materials are peer-reviewed before posting, and because all submissions receive a digital object identifier (doi), submitted materials can be listed as publications. http://www.lpi.usra.edu/earthspace. The SMD E/PO online community workspace contains many resources for scientists. These include one-page guides on how to get involved, tips on how to make the most of your time spent on E/PO, and sample activities, as well as news on funding, policy, and what's happening in the E/PO community. The workspace also provides scientists and the public pathways to find opportunities for participation in E/PO, to learn about SMD E/PO projects and their impacts, to connect with SMD E/PO practitioners, and to explore resources to improve professional E/PO practice, including literature reviews, information about the Next Generation Science Standards, and best practices in evaluation and engaging diverse audiences. http://smdepo.org.

Novel phosphate halides BaMn{sup III}[PO{sub 4}]FCl and BaMn{sup III}[PO{sub 4}]F{sub 2}: Effects of mixed halides on crystal structures and magnetic properties

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

Pei, Da-Ting, E-mail: pdtcug@gmail.com; Sun, Wei, E-mail: 421221789@qq.com; Department of Geological Sciences, University of Saskatchewan, 114 Science Place, Saskatoon, Canada SK S7N 5E2

2016-02-15

Two new phosphate halides BaMn{sup III}[PO{sub 4}]FCl (1) and BaMn{sup III}[PO{sub 4}]F{sub 2} (2), have been synthesized under hydrothermal conditions. Structural characterizations show that both new compounds adopt layered structures but with different polyhedral linkages. Introduction of Cl into Compound (1) results in isolated hemimorphic [MnO{sub 4}FCl] octahedra, different from the chain of [MnO{sub 4}F{sub 2}]/[MnO{sub 2}F{sub 4}] octahedra in Compound (2). These compounds have significantly different molecular vibration modes and thermal stabilities. Magnetic measurements reveal that Compound (2) has larger antiferromagnetic interactions than Compound (1), because the former has strong interactions between Mn{sup 3+}-Mn{sup 3+} ions within corner-shared Mn{supmore » 3+}-octahedral chains whereas the latter only possesses isolated Mn{sup 3+}-octahedra. Both compounds transform to a new orthorhombic compound BaMn{sup II}(PO{sub 4})F (3) after thermal decomposition. - Graphical abstract: The large radius of Cl{sup -} ions makesBaMn{sup III}[PO{sub 4}]FCl to adopt isolated [MnO{sub 4}FCl] rather than corner-sharing octahedra as observed in BaMn{sup III}[PO{sub 4}]F{sub 2}. - Highlights: • Two novel phosphate halides BaMn[PO{sub 4}]FCl and BaMn[PO{sub 4}]F{sub 2} have been prepared. • These new compounds adopt different types of layered structures. • They have different molecular vibration modes and thermal stabilities. • BaMn[PO{sub 4}]FCl has weaker antiferromagnetic interactions than BaMn[PO{sub 4}]F{sub 2}. • The former adopts isolated octahedra whereas the latter adopts octahedral chains.« less

Investigation of phase diagrams and physical stability of drug-polymer solid dispersions.

PubMed

Lu, Jiannan; Shah, Sejal; Jo, Seongbong; Majumdar, Soumyajit; Gryczke, Andreas; Kolter, Karl; Langley, Nigel; Repka, Michael A

2015-01-01

Solid dispersion technology has been widely explored to improve the solubility and bioavailability of poorly water-soluble compounds. One of the critical drawbacks associated with this technology is the lack of physical stability, i.e. the solid dispersion would undergo recrystallization or phase separation thus limiting a product's shelf life. In the current study, the melting point depression method was utilized to construct a complete phase diagram for felodipine (FEL)-Soluplus® (SOL) and ketoconazole (KTZ)-Soluplus® (SOL) binary systems, respectively, based on the Flory-Huggins theory. The miscibility or solubility of the two compounds in SOL was also determined. The Flory-Huggins interaction parameter χ values of both systems were calculated as positive at room temperature (25 °C), indicating either compound was miscible with SOL. In addition, the glass transition temperatures of both solid dispersion systems were theoretically predicted using three empirical equations and compared with the practical values. Furthermore, the FEL-SOL solid dispersions were subjected to accelerated stability studies for up to 3 months.

A revised B(E2;2+ 1 → 0+ 1) value in the semi-magic nucleus 210Po

NASA Astrophysics Data System (ADS)

Kocheva, D.; Rainovski, G.; Jolie, J.; Pietralla, N.; Blazhev, A.; Astier, A.; Altenkirch, R.; Ansari, S.; Braunroth, Th.; Cortés, M. L.; Dewald, A.; Diel, F.; Djongolov, M.; Fransen, C.; Gladnishki, K.; Hennig, A.; Karayonchev, V.; Keatings, J. M.; Kluge, E.; Litzinger, J.; Müller-Gatermann, C.; Petkov, P.; Rudigier, M.; Scheck, M.; Scholz, Ph.; Spagnoletti, P.; Spieker, M.; Stahl, C.; Stegmann, R.; Stoyanova, M.; Thöle, P.; Warr, N.; Werner, V.; Witt, W.; Wölk, D.; Zell, K. O.; Van Isacker, P.; Ponomarev, V. Yu.

2017-09-01

The lifetimes of the 2^+_1 , the 2^+_2 and the 3^-_1 states of 210Po have been measured in the 208Pb(12C,10Be)210Po transfer reaction by the Doppler-shift attenuation method. The result for the lifetime of the 2^+_1 state is about three times shorter than the adopted value. However, the new value still does not allow for a consistent description of the properties of the yrast 2^+_1 , 4^+_1 , 6^+_1 , and 8^+_1 states of 210Po in the framework of nuclear shell models. Quasi-particle Phonon Model (QPM) calculations also cannot overcome this problem thus indicating the existence of a peculiarity which is neglected in both theoretical approaches.

Characterization, dissolution and solubility of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3OH] at 25 °C and pH 2-9.

PubMed

Zhu, Yinian; Huang, Bin; Zhu, Zongqiang; Liu, Huili; Huang, Yanhua; Zhao, Xin; Liang, Meina

2016-01-01

The interaction between Ca-HAP and Pb(2+) solution can result in the formation of a hydroxyapatite-hydroxypyromorphite solid solution [(PbxCa1-x)5(PO4)3(OH)], which can greatly affect the transport and distribution of toxic Pb in water, rock and soil. Therefore, it's necessary to know the physicochemical properties of (PbxCa1-x)5(PO4)3(OH), predominantly its thermodynamic solubility and stability in aqueous solution. Nevertheless, no experiment on the dissolution and related thermodynamic data has been reported. Dissolution of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3(OH)] in aqueous solution at 25 °C was experimentally studied. The aqueous concentrations were greatly affected by the Pb/(Pb + Ca) molar ratios (XPb) of the solids. For the solids with high XPb [(Pb0.89Ca0.11)5(PO4)3OH], the aqueous Pb(2+) concentrations increased rapidly with time and reached a peak value after 240-720 h dissolution, and then decreased gradually and reached a stable state after 5040 h dissolution. For the solids with low XPb (0.00-0.80), the aqueous Pb(2+) concentrations increased quickly with time and reached a peak value after 1-12 h dissolution, and then decreased gradually and attained a stable state after 720-2160 h dissolution. The dissolution process of the solids with high XPb (0.89-1.00) was different from that of the solids with low XPb (0.00-0.80). The average K sp values were estimated to be 10(-80.77±0.20) (10(-80.57)-10(-80.96)) for hydroxypyromorphite [Pb5(PO4)3OH] and 10(-58.38±0.07) (10(-58.31)-10(-58.46)) for calcium hydroxyapatite [Ca5(PO4)3OH]. The Gibbs free energies of formation (ΔG f (o) ) were determined to be -3796.71 and -6314.63 kJ/mol, respectively. The solubility decreased with the increasing Pb/(Pb + Ca) molar ratios (XPb) of (PbxCa1‒x)5(PO4)3(OH). For the dissolution at 25 °C with an initial pH of 2.00, the experimental data plotted on the Lippmann diagram showed that the solid solution (PbxCa1-x)5(PO4

Graphene oxide wrapped Ag{sub 3}PO{sub 4} sub-microparticles with highly enhanced photocatalytic activity and stability under visible light irradiation

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

Xiu, Zhiliang; Shandong Provincial Key Laboratory of Processing and Testing Technology of Glass and Functional Ceramics, Key Laboratory of Amorphous and Polycrystalline Materials, Qilu University of Technology, Jinan 250353; Wu, Yongzhong, E-mail: wuyz@sdu.edu.cn

2014-11-15

Highlights: • Graphene oxide wrapped Ag{sub 3}PO{sub 4} sub-microparticles were prepared. • The photocatalytic activity of Ag{sub 3}PO{sub 4} is increased by 6 times by GO wrapping. • The hybrid photocatalysts exhibited excellent stability. - Abstract: Graphene oxide (GO) wrapped Ag{sub 3}PO{sub 4} sub-microparticles were prepared by in situ deposition–precipitation method. By hybridization of Ag{sub 3}PO{sub 4} with GO nanosheets, a 6-fold enhancement in the photodegradation rate toward orange methyl (MO) under visible light irradiation (λ ≥ 420 nm) was observed compared with the pure Ag{sub 3}PO{sub 4} sub-microsparticles. The hybrid photocatalysts also exhibited excellent stability in the successive MOmore » degradation experiments. The highly enhanced photocatalytic activity and stability were mainly attributed to the quick transfer of the photogenerated electrons from Ag{sub 3}PO{sub 4} to GO nanosheets, which could effectively suppress the electron–hole pairs recombination and thus inhibit the photocorrosion of Ag{sub 3}PO{sub 4}. These high-efficient and stable hybrid photocatalysts were expected to show considerable potential applications in wastewater treatment and water splitting.« less

Ultraviolet luninescence of ScPO 4, AlPO 4, and GaPO 4 crystals

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

Trukhin, Anatoly N.; Shmits, Krishjanis; Jansons, Janis L.

2013-08-29

The luminescence of self-trapped excitons (STE) was previously observed and described for the case of tetragonal-symmetry ScPO 4 single crystals in 1996 by Trukhin and Boatner. The subject band in this material is situated in the UV spectral range of ~210 nm or ~5.8 eV. In the present work, we are both expanding this earlier luminescence study and seeking to identify similar luminescence phenomena in other orthophosphate crystals i.e., AlPO 4 and GaPO 4. These efforts have proven to be successful - in spite of the structural differences between these materials and ScPO 4. Specifically we have found that formore » AlPO 4 and GaPO 4, in addition to an -quartz-like STE, there is a UV luminescence that is similar in position and decay properties to that of ScPO 4 crystals. Potentially this represents an STE in AlPO 4, and GaPO 4 crystals that is analogous to the STE of ScPO 4 and other orthophosphates. The decay kinetics of the UV luminescence of ScPO 4 were studied over a wide temperature range from 8 to 300 K, and they exhibited some unusual decay characteristics when subjected to pulses from an F 2 excimer laser (157 nm). These features could be ascribed to a triplet state of the STE that is split in a zero magnetic field. A fast decay of the STE was detected as well, and therefore, we conclude that, in addition to the slow luminescence corresponding to a transition from the triplet state, there are singlet-singlet transitions of the STE. Furthermore, time-resolved spectra of the slow and fast decay exhibit a small shift (~0.15 eV) indicating that the singlet triplet splitting is small and the corresponding wave function of the STE is widely distributed over the atoms of the ScPO 4 crystal where the STE is created.« less

Visible-light-driven photocatalytic activation of peroxymonosulfate by Cu2(OH)PO4 for effective decontamination.

PubMed

Liu, Guoshuai; Zhou, Yanan; Teng, Jie; Zhang, Jinna; You, Shijie

2018-06-01

The advanced oxidation process (AOP) based on SO 4 - radicals draws an increasing interest in water and wastewater treatment. Producing SO 4 - radicals from the activation of peroxymonosulfate (PMS) by transition metal ions or oxides may be problematic due to high operational cost and potential secondary pollution caused by metal leaching. To address this challenge, the present study reports the efficient production of SO 4 - radicals through visible-light-driven photocatalytic activation (VL-PCA) of PMS by using Cu 2 (OH)PO 4 single crystal for enhanced degradation of a typical recalcitrant organic pollutant, i.e., 2,4-dichlorophenol (2,4-DCP). It took only 7 min to achieve almost 100% removal of 2,4-DCP in the Cu 2 (OH)PO 4 /PMS system under visible-light irradiation and pH-neutral condition. The 2,4-DCP degradation was positively correlated to the amount of Cu 2 (OH)PO 4 and PMS. Both OH and SO 4 - radicals were responsible for enhanced degradation performance, indicated by radical scavenger experiments and electron spin resonance (ESR) measurements. The Cu 2 (OH)PO 4 single crystal exhibited good cyclic stability and negligible metal leaching. According to density functional theory (DFT) calculations, the visible-light-driven transformation of two copper states between trigonal bipyramidal sites and octahedral sites in the crystal structure of Cu 2 (OH)PO 4 facilitates the generation of OH and SO 4 - radicals from the activation of PMS and cleavage of O-O bonds. This study provides the proof-in-concept demonstration of activation of PMS driven by visible light, making the SO 4 - radicals-based AOPs much easier, more economical and more sustainable in engineering applications for water and wastewater treatment. Copyright © 2018 Elsevier Ltd. All rights reserved.

[Immobilization technology and mechanism of fly ash using H3PO4].

PubMed

Wang, Jun; Jiang, Jian-Guo; Sui, Ji-Chao; Yang, Shi-Jian

2006-08-01

Chemical composition and toxicity leaching characteristics of fly ash was analyzed. The experiment results show that many heavy metals were contained; leaching concentration of Pb is 67.03 mg/L, which exceeds the limit of identification standard for hazardous wastes. Effect of input mass of H3PO4 on immobilization of heavy metals and its long-term environmental stability was studied. The results show that when input 8% - 14% (H3PO4 mass/ fly ash mass) of H3PO4 sound immobilization effect can be achieved; 8% and 12% of H3PO4 will bring a satisfactory environmental stability of heavy metals, while more H3PO4 led to less buffer capacity to acid conditions. In fly ash treated by 12% H3PO4, a small quantity of crystal Cr2P2O7, ZnP2, Pb3P4O13, Pb3P2O7, NaZnPO4, NaPbP3O9, Ca2ZnSi2O7 can be detected by XRD; many independent fly ash particles and bar-shaped Pb5 (PO4)3Cl with a diameter of 0.3 - 0.5 microm were observed by SEM; concentrated heavy metal materials were not obtained by CHBr3 floatation. Conclusions can be drawn that, through neutralization reaction of H3PO4 with strongly alkaline fly ash, stabilization reaction conditions were improved, entrapped heavy metals were chemically activated and PO4(3-) needed in stabilization was produced. Activated heavy metals combined with PO4(3-) on surface of fly ash,generated phosphates existing as forms of solid solution in SiO2, CaCO3, CaSO4, KCl, NaCl.

K2Ho(PO4)(WO4)

PubMed Central

Terebilenko, Katherina V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.

2008-01-01

A new compound, dipotassium holmium(III) phosphate(V) tungstate(VI), K2Ho(PO4)(WO4), has been obtained during investigation of the K2O–P2O5–WO3–HoF3 phase system using the flux technique. The compound is isotypic with K2Bi(PO4)(WO4). Its framework structure consists of flat ∞ 2[HoPO4] layers parallel to (100) that are made up of ∞ 1[HoO8] zigzag chains inter­linked via slightly distorted PO4 tetra­hedra. WO4 tetra­hedra are attached above and below these layers, leaving space for the K+ counter-cations. The HoO8, PO4 and WO4 units exhibit 2 symmetry. PMID:21580811

Connected Lighting Systems Efficiency Study$-$ PoE Cable Energy Losses, Part 1

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

Tuenge, Jason; Kelly, Karsten; Poplawski, Michael

First report in a study of the efficiency of connected lighting systems. The report summarizes the results of an exploratory study investigating power losses in Ethernet cables used between PoE switches and luminaires in PoE connected lighting systems. Testing was conducted at the Pacific Northwest National Laboratory (PNNL) Connected Lighting Test Bed in September 2017. The results were analyzed to explore the impact of cable selection on PoE lighting system energy efficiency, as well as the effectiveness of guidelines recently introduced by the American National Standards Institute (ANSI) C137 Lighting Systems Committee.

Hybrid Ag 2VO 2PO 4/CF x as a High Capacity and Energy Cathode for Primary Batteries

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

Li, Yue Ru; Bruck, Andrea M.; Brady, Alexander B.

In this report, we describe the electrochemistry of hybrid dual silver vanadium phosphorus oxide/carbon fluoride (Ag 2VO 2PO 4/CF x) cathodes with various weight ratios. Through modification of the Ag 2VO 2PO 4/CF x ratio, we can control the gravimetric and volumetric capacity, as well as mitigate the voltage drop during high current pulses. The increase in impedance caused by irreversible LiF formation in CFx was reduced by the silver reduction-displacement during electrochemical discharge of the Ag 2VO 2PO 4. Moreover, the addition of graphite was shown to reduce initial voltage delay. When Ag 2VO 2PO 4 dominates the electrodemore » mass (i.e. 75/25 Ag 2VO 2PO 4/CF x) in the hybrid cathode, pulse testing shows less voltage drop and delay, but at the expense of capacity and energy density. As the amount of CFx in the composite increases (i.e. Ag 2VO 2PO 4/CF x ratio of to 50/50 or 25/75), charge capacity and energy density increases, but at the expense of larger voltage drops and delays early in the discharge process. Thus, controlling the Ag 2VO 2PO 4/CF x ratio can be used to tune the electrochemical properties of the dual cathode, allowing for optimization of capacity and power depending on the application.« less

Hybrid Ag 2VO 2PO 4/CF x as a High Capacity and Energy Cathode for Primary Batteries

DOE PAGES

Li, Yue Ru; Bruck, Andrea M.; Brady, Alexander B.; ...

2017-08-18

In this report, we describe the electrochemistry of hybrid dual silver vanadium phosphorus oxide/carbon fluoride (Ag 2VO 2PO 4/CF x) cathodes with various weight ratios. Through modification of the Ag 2VO 2PO 4/CF x ratio, we can control the gravimetric and volumetric capacity, as well as mitigate the voltage drop during high current pulses. The increase in impedance caused by irreversible LiF formation in CFx was reduced by the silver reduction-displacement during electrochemical discharge of the Ag 2VO 2PO 4. Moreover, the addition of graphite was shown to reduce initial voltage delay. When Ag 2VO 2PO 4 dominates the electrodemore » mass (i.e. 75/25 Ag 2VO 2PO 4/CF x) in the hybrid cathode, pulse testing shows less voltage drop and delay, but at the expense of capacity and energy density. As the amount of CFx in the composite increases (i.e. Ag 2VO 2PO 4/CF x ratio of to 50/50 or 25/75), charge capacity and energy density increases, but at the expense of larger voltage drops and delays early in the discharge process. Thus, controlling the Ag 2VO 2PO 4/CF x ratio can be used to tune the electrochemical properties of the dual cathode, allowing for optimization of capacity and power depending on the application.« less

A second polymorph with composition Co3(PO4)2·H2O

PubMed Central

Lee, Young Hoon; Clegg, Jack K.; Lindoy, Leonard F.; Lu, G. Q. Max; Park, Yu-Chul; Kim, Yang

2008-01-01

Single crystals of Co3(PO4)2·H2O, tricobalt(II) bis­[ortho­phosphate(V)] monohydrate, were obtained under hydro­thermal conditions. The compound is the second polymorph of this composition and is isotypic with its zinc analogue, Zn3(PO4)2·H2O. Three independent Co2+ cations are bridged by two independent orthophosphate anions. Two of the metal cations exhibit a distorted tetra­hedral coordination while the third exhibits a considerably distorted [5 + 1] octa­hedral coordination environment with one very long Co—O distance of 2.416 (3) Å. The former cations are bonded to four different phosphate anions, and the latter cation is bonded to four anions (one of which is bidentate) and one water mol­ecule, leading to a framework structure. Additional hydrogen bonds of the type O—H⋯O stabilize this arrangement. PMID:21200979

Online Workspace to Connect Scientists with NASA's Science E/PO Efforts and Practitioners

NASA Astrophysics Data System (ADS)

Shipp, Stephanie; Bartolone , Lindsay; Peticolas, Laura; Woroner, Morgan; Dalton, Heather; Schwerin, Theresa; Smith, Denise

2014-11-01

There is a growing awareness of the need for a scientifically literate public in light of challenges facing society today, and also a growing concern about the preparedness of our future workforce to meet those challenges. Federal priorities for science, technology, engineering, and math (STEM) education call for improvement of teacher training, increased youth and public engagement, greater involvement of underrepresented populations, and investment in undergraduate and graduate education. How can planetary scientists contribute to these priorities? How can they “make their work and findings comprehensible, appealing, and available to the public” as called for in the Planetary Decadal Survey?NASA’s Science Mission Directorate (SMD) Education and Public Outreach (E/PO) workspace provides the SMD E/PO community of practice - scientists and educators funded to conduct SMD E/PO or those using NASA’s science discoveries in E/PO endeavors - with an online environment in which to communicate, collaborate, and coordinate activities, thus helping to increase effectiveness of E/PO efforts. The workspace offers interested scientists avenues to partner with SMD E/PO practitioners and learn about E/PO projects and impacts, as well as to advertise their own efforts to reach a broader audience. Through the workspace, scientists can become aware of opportunities for involvement and explore resources to improve professional practice, including literature reviews of best practices for program impact, mechanisms for engaging diverse audiences, and large- and small-scale program evaluation. Scientists will find “how to” manuals for getting started and increasing impact with public presentations, classroom visits, and other audiences, as well as primers with activity ideas and resources that can augment E/PO interactions with different audiences. The poster will introduce the workspace to interested scientists and highlight pathways to resources of interest that can help

Short-lived isomers in 192Po and 194Po

NASA Astrophysics Data System (ADS)

Andel, B.; Andreyev, A. N.; Antalic, S.; Heßberger, F. P.; Ackermann, D.; Hofmann, S.; Huyse, M.; Kalaninová, Z.; Kindler, B.; Kojouharov, I.; Kuusiniemi, P.; Lommel, B.; Nishio, K.; Page, R. D.; Sulignano, B.; Van Duppen, P.

2016-06-01

Isomeric states in 194Po and 192Po were studied at the velocity filter SHIP. The isotopes were produced in the fusion-evaporation reactions 141Pr(56Fe, p 2 n )194Po and 144Sm(51V, p 2 n )192Po . Several new γ -ray transitions were attributed to the isomers and γ -γ coincidences for both isomers were studied for the first time. The 459-keV transition earlier, tentatively proposed as de-exciting the isomeric level in 194Po, was replaced by a new 248-keV transition, and the spin of this isomer was reassigned from (11-) to (10-). The de-excitation of the (11-) isomeric level in 192Po by the 154-keV transition was confirmed and a parallel de-excitation by a 733-keV (E 3 ) transition to (8+) level of the ground-state band was suggested. Moreover, side feeding to the (4+) level of the ground-state band was proposed. The paper also discusses strengths of transitions de-exciting 11- isomers in neighboring Po and Pb isotopes.

Vitamins A, C, and E may reduce intestinal Po-210 levels after ingestion

PubMed Central

Kemp, Francis W; Portugal, Frank; Akudugu, John M.; Neti, Prasad VSV; Ferraris, Ronaldo P.; Howell, Roger W.

2016-01-01

Damage to the gut mucosa is a probable contributory cause of death from ingested 210Po. Therefore, medical products are needed that can prevent, mitigate, and/or repair gastrointestinal (GI) damage caused by high-LET radiation emitted by 210Po. The present studies investigated the capacity of a diet highly enriched with vitamins A, C, and E (vitamin ACE) to protect against intestinal mucosal damage indicated by functional reductions in nutrient transport caused by orally ingested 210Po. Mice were gavaged with 0 or 18.5 kBq 210Po-citrate and fed a control or vitamin ACE-enriched diet (the latter beginning either 96 h before or immediately after gavage). Mouse intestines significantly retained 210Po on day 8 post-gavage. The concentration of 210Po in intestinal tissues was significantly (p<0.05) lower in all vitamin ACE groups compared to control. There were borderline significant 210Po-induced reductions in intestinal absorption of D-fructose. The combination of vitamins A, C, and E may reduce 210Po incorporation in the intestines when given before, or enhance decorporation when provided after, 210Po gavage. PMID:27218295

NASA's Science Education and Public Outreach Forums: Bringing Communities and Resources Together to Increase Effectiveness and Sustainability of E/PO

NASA Astrophysics Data System (ADS)

Sharma, Mangala; Smith, D.; Mendez, B.; Shipp, S.; Schwerin, T.; Stockman, S.; Cooper, L.

2010-03-01

The AAS-HEAD community has a rich history of involvement in education and public outreach (E/PO). HEAD members have been using NASA science and educational resources to engage and educate youth and adults nationwide in science, technology, engineering, and mathematics topics. Four new Science Education and Public Outreach Forums ("Forums") funded by NASA Science Mission Directorate (SMD) are working in partnership with the research and education community to ensure that current and future SMD-funded E/PO activities form a seamless whole, with easy entry points for scientists, engineers, faculty, students, K-12 formal and informal science educators, general public, and E/PO professionals alike. These Forums support the astrophysics, heliophysics, planetary and Earth science divisions of NASA SMD in three core areas: 1) E/PO community engagement and development to facilitate clear paths of involvement for scientists, engineers and others interested - or potentially interested - in participating in SMD-funded E/PO activities. Collaborations with science professionals are vital for infusing current, accurate SMD mission and research findings into educational products and activities. Forum activities will yield readily accessible information on effective E/PO strategies, resources, and expertise; context for individual E/PO activities; and opportunities for collaboration. 2) A rigorous analysis of SMD-funded E/PO products and activities to help understand how the existing collection supports education standards and audience needs and to identify areas of opportunity for new materials and activities. K-12 formal, informal, and higher education products and activities are included in this analysis. 3) Finally, to address E/PO-related systemic issues and coordinate related activities across the four SMD science divisions. By supporting the NASA E/PO community and facilitating coordination of E/PO activities within and across disciplines, the SMD-Forum partnerships will

Cs2Bi(PO4)(WO4)

PubMed Central

Terebilenko, Kateryna V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.

2009-01-01

Dicaesium bis­muth(III) phosphate(V) tungstate(VI), Cs2Bi(PO4)(WO4), has been synthesized during complex investigation in a molten pseudo-quaternary Cs2O–Bi2O3–P2O5–WO3 system. It is isotypic with K2Bi(PO4)(WO4). The three-dimensional framework is built up from [Bi(PO4)(WO4)] nets, which are organized by adhesion of [BiPO4] layers and [WO4] tetra­hedra above and below of those layers. The inter­stitial space is occupied by Cs atoms. Bi, W and P atoms lie on crystallographic twofold axes. PMID:21577386

Toward a stable solid-electrolyte-interfaces on nickel-rich cathodes: LiPO2F2 salt-type additive and its working mechanism for LiNi0.5Mn0.25Co0.25O2 cathodes

NASA Astrophysics Data System (ADS)

Zhao, Weimin; Zheng, Guorui; Lin, Min; Zhao, Wengao; Li, Dongjiang; Guan, Xiaoyun; Ji, Yajuan; Ortiz, Gregorio F.; Yang, Yong

2018-03-01

Although the LiNi0.5Mn0.25Co0.25O2 holds the merits of high theoretical capacities and a relatively high operating voltage, the battery performance suffers from the severe cycling decay due to the unstable solid electrolyte interface on the cathode. Herein, we present LiPO2F2 as a salt-type electrolyte additive to enhance the cycling stability of large-size crystallite LiNi0.5Mn0.25Co0.25O2 cathodes. Results demonstrate that 1 wt% LiPO2F2 can significantly improve not only the initial coulombic efficiency by 3%, but also the cycling stability and rate capability at 25 °C. Furthermore, the discharge capacity of LiNi0.5Mn0.25Co0.25O2 cathodes still maintain 156 mAh g-1 after 100 cycles even when the temperature increases to 55 °C. In-depth experimental characterization and theoretical calculation indicate that a new stable and thin (e.g. 15-20 nm) film formed on the surface of the cathodes, with composition of LiPO2F2, LiF, etc., which significantly reduces charge transfer impedance of the electrodes, and therefore significantly improves the cycling and rate performance of LiNi0.5Mn0.25Co0.25O2.

PO2 cycling reduces diaphragm fatigue by attenuating ROS formation.

PubMed

Zuo, Li; Diaz, Philip T; Chien, Michael T; Roberts, William J; Kishek, Juliana; Best, Thomas M; Wagner, Peter D

2014-01-01

Prolonged muscle exposure to low PO2 conditions may cause oxidative stress resulting in severe muscular injuries. We hypothesize that PO2 cycling preconditioning, which involves brief cycles of diaphragmatic muscle exposure to a low oxygen level (40 Torr) followed by a high oxygen level (550 Torr), can reduce intracellular reactive oxygen species (ROS) as well as attenuate muscle fatigue in mouse diaphragm under low PO2. Accordingly, dihydrofluorescein (a fluorescent probe) was used to monitor muscular ROS production in real time with confocal microscopy during a lower PO2 condition. In the control group with no PO2 cycling, intracellular ROS formation did not appear during the first 15 min of the low PO2 period. However, after 20 min of low PO2, ROS levels increased significantly by ∼30% compared to baseline, and this increase continued until the end of the 30 min low PO2 condition. Conversely, muscles treated with PO2 cycling showed a complete absence of enhanced fluorescence emission throughout the entire low PO2 period. Furthermore, PO2 cycling-treated diaphragm exhibited increased fatigue resistance during prolonged low PO2 period compared to control. Thus, our data suggest that PO2 cycling mitigates diaphragm fatigue during prolonged low PO2. Although the exact mechanism for this protection remains to be elucidated, it is likely that through limiting excessive ROS levels, PO2 cycling initiates ROS-related antioxidant defenses.

Magnetic excitations from an S=1/2 diamond-shaped tetramer compound Cu 2PO 4OH

DOE PAGES

Matsuda, Masaaki; Dissanayake, Sachith E.; Abernathy, Douglas L.; ...

2015-11-30

Inelastic neutron scattering experiments have been carried out on a powder sample of Cu 2PO 4OH, which consists of diamond-shaped tetramer spin units with S=1/2. We have observed two nearly dispersionless magnetic excitations at E 1 ~2 and E 2 ~0 meV, whose energy width are broader than the instrumental resolution. The simplest square tetramer model with one dominant interaction, which predicts two sharp excitation peaks at E 1 and E 2(=2E 1), does not explain the experimental result. We found that two diagonal intratetramer interactions compete with the main interaction and weak intertetramer interactions connect the tetramers. The mainmore » intratetramer interaction is found to split into two inequivalent ones due to a structural distortion below 160 K. Cu 2PO 4OH is considered to be a good material to study the S=1/2 Heisenberg tetramer system.« less

Nascent PO(X 2Π) E,V,R,T excitations from collision-free IR laser photolysis: Specificity toward the PO(X 2Pi 1/2) spin-orbit statea)

NASA Astrophysics Data System (ADS)

Chou, Jim-Son; Sumida, David S.; Wittig, C.

1985-02-01

PO (X 2Π) is produced via the collision-free infrared multiple photon dissociation (IRMPD) of volatile organophosphorous molecules, and is detected by two-frequency two-photon ionization, using the B 2Σ+ state to provide a spectral signature from which X 2Π populations are obtained. Sequential dissociations occur during the IR laser photolysis, in which nascent fragments continue to undergo IRMPD, and PO (X 2Π) accrues from a series of bond fission reactions. Nascent vibrational, rotational, and translational excitations are in sensible accord with this mechanism, except for a few rotational states near J=19.5. Unlike the nuclear degrees of freedom, the PO (X 2Π) spin-orbit states are populated quite selectively. The 2Π3/2 state, lying only 224 cm-1 above the 2Π1/2 ground state, contains only ˜11% of the population, compared to 34% for a 300 K sample. This result is unambiguous; it persists with all precursors, laser fluences, etc., and is verified by comparisons to spectra obtained using a microwave discharge, a flame, and when thermalizing nascent excitations with an inert diluent. This result underscores the importance of the separate potential surfaces which correlate to the product spin-orbit states, and the small amount of 2Π3/2 population can be accounted for by nonadiabatic coupling during dissociation, and/or ``freezing'' the amount of S1 character in an excited precursor in which S0 and S1 are coupled nonradiatively. We note that such electronic specificity should be dealt with in the analogous recombination reactions.

Importance of E/PO Activity in Lunar Science

NASA Astrophysics Data System (ADS)

Terazono, J.

2018-04-01

Upon rise of momentum for lunar science and explorations, we should regard importance of E/PO (Education and Public Outreach) in this area. The author will show significance of strategy and human resource cultivation of this area.

Luminescence properties of long-lasting phosphor SrMg2(PO4)2:Eu2+, Ho3+, Zr4+

NASA Astrophysics Data System (ADS)

Tang, Wei; Wang, Mingwen; Lin, Wei; Ye, Yaping; Wu, Xue

2016-12-01

Novel long lasting phosphors SrMg2(PO4)2:Eu2+, SrMg2(PO4)2:Eu2+, Zr4+, SrMg2(PO4)2:Eu2+, Ho3+ and SrMg2(PO4)2:Eu2+, Ho3+, Zr4+ were synthesized by conventional solid-state reaction method. The luminescent properties were systematically characterized by X-ray diffraction, photoluminescent excitation and emission spectra, as well as thermoluminescence spectrum and decay curves. The XRD patterns indicated that the samples belonged to monoclinic phase and co-doping Eu2+, Ho3+ and Zr4+ ions had no effect on the basic crystal structure. These phosphors emitting purplish blue light is related to the characteristic emission of Eu2+. The afterglow time of Eu2+ activated SrMg2(PO4)2 can be greatly enhanced by the co-doping of Ho3+, Zr4+. After the 365 nm UV light excitation source switching off, the Sr0.92Mg1.95(PO4)2:Eu2+0.01, Zr4+0.05, Ho3+0.07 phosphorescence can be observed for more than 1013 s in the limit of light perception of dark-adapted human eyes (0.32 mcd/m2). Different kinds of TL peaks at 423, 448 and 473 K have appeared, and traps densities have increased compared with the Eu2+ single doped SrMg2(PO4)2 phosphor. By analyzing the TL curve the depths of traps were calculated to be 0.846, 0.896 and 0.946 eV, respectively, which suggested that the co-doping of Ho3+, Zr4+ improved the electron storage ability of material. Besides, the mechanism was discussed in this report.

In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO{sub 4}.0.667H{sub 2}O to the hexagonal LnPO{sub 4} (Ln = Nd, Sm, Gd, Eu and Dy)

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

Mesbah, Adel, E-mail: adel.mesbah@cea.fr; Clavier, Nicolas; Elkaim, Erik

The dehydration process of the hydrated rhabdophane LnPO{sub 4}.0.667H{sub 2}O (Ln = La to Dy) was thoroughly studied over the combination of in situ high resolution synchrotron powder diffraction and TGA experiments. In the case of SmPO{sub 4}.0.667H{sub 2}O (monoclinic, C2), a first dehydration step was identified around 80 °C leading to the formation of SmPO{sub 4}.0.5H{sub 2}O (Monoclinic, C2) with Z =12 and a =17.6264(1) Å, b =6.9704(1) Å, c =12.1141(1) Å, β=133.74(1) °, V =1075.33(1) Å{sup 3}. In agreement with the TGA and dilatometry experiments, all the water molecules were evacuated above 220 °C yielding to the anhydrousmore » form, which crystallizes in the hexagonal P3{sub 1}21 space group with a =7.0389(1) Å, c =6.3702(1) Å and V =273.34(1) Å{sup 3}. This study was extended to selected LnPO{sub 4}.0.667H{sub 2}O samples (Ln= Nd, Gd, Eu, Dy) and the obtained results confirmed the existence of two dehydration steps before the stabilization of the anhydrous form, with the transitory formation of LnPO{sub 4}.0.5H{sub 2}O. - Graphical abstract: The dehydration process of the rhabdophane SmPO{sub 4}.0.667H{sub 2}O was studied over combination of in situ high resolution synchrotron powder diffraction and TGA techniques, a first dehydration was identified around 80 °C leading to the formation of SmPO{sub 4}.0.5H{sub 2}O (Monoclinic, C2). Then above 220 °C, the anhydrous form of the rhabdophane SmPO{sub 4} was stabilized and crystallizes in the hexagonal P3{sub 1}21 space group. - Highlights: • In situ synchrotron powder diffraction was carried out during the dehydration of the rhabdopahe LnPO{sub 4}.0.667H{sub 2}O. • The heat of the rhabdophane LnPO{sub 4}.0.667H{sub 2}O leads to LnPO{sub 4}.0.5H{sub 2}O then to anhydrous rhabdophane LnPO{sub 4}. • LnPO{sub 4}.0.5H{sub 2}O (monoclinic, C2) and LnPO{sub 4} (Hexagonal, P3{sub 1}21) were solved over the use of direct methods.« less

Stability diagram for the forced Kuramoto model.

PubMed

Childs, Lauren M; Strogatz, Steven H

2008-12-01

We analyze the periodically forced Kuramoto model. This system consists of an infinite population of phase oscillators with random intrinsic frequencies, global sinusoidal coupling, and external sinusoidal forcing. It represents an idealization of many phenomena in physics, chemistry, and biology in which mutual synchronization competes with forced synchronization. In other words, the oscillators in the population try to synchronize with one another while also trying to lock onto an external drive. Previous work on the forced Kuramoto model uncovered two main types of attractors, called forced entrainment and mutual entrainment, but the details of the bifurcations between them were unclear. Here we present a complete bifurcation analysis of the model for a special case in which the infinite-dimensional dynamics collapse to a two-dimensional system. Exact results are obtained for the locations of Hopf, saddle-node, and Takens-Bogdanov bifurcations. The resulting stability diagram bears a striking resemblance to that for the weakly nonlinear forced van der Pol oscillator.

AgPO2F2 and Ag9(PO2F2)14: the first Ag(i) and Ag(i)/Ag(ii) difluorophosphates with complex crystal structures.

PubMed

Malinowski, Przemysław J; Kurzydłowski, Dominik; Grochala, Wojciech

2015-12-07

The reaction of AgF2 with P2O3F4 yields a mixed valence Ag(I)/Ag(II) difluorophosphate salt with AgAg(PO2F2)14 stoichiometry - the first Ag(ii)-PO2F2 system known. This highly moisture sensitive brown solid is thermally stable up to 120 °C, which points at further feasible extension of the chemistry of Ag(ii)-PO2F2 systems. The crystal structure shows a very complex bonding pattern, comprising of polymeric Ag(PO2F2)14(4-) anions and two types of Ag(I) cations. One particular Ag(II) site present in the crystal structure of Ag9(PO2F2)14 is the first known example of square pyramidal penta-coordinated Ag(ii) in an oxo-ligand environment. Ag(i)PO2F2 - the product of the thermal decomposition of Ag9(PO2F2)14 - has also been characterized by thermal analysis, IR spectroscopy and X-ray powder diffraction. It has a complicated crystal structure as well, which consists of infinite 1D [Ag(I)O4/2] chains which are linked to more complex 3D structures via OPO bridges. The PO2F2(-) anions bind to cations in both compounds as bidentate oxo-ligands. The terminal F atoms tend to point inside the van der Waals cavities in the crystal structure of both compounds. All important structural details of both title compounds were corroborated by DFT calculations.

Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3}

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

Yahia, H. Ben; Essehli, R., E-mail: ressehli@qf.org.qa; Avdeev, M.

The new compounds NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} crystallize with a stuffed α-CrPO{sub 4}-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structuresmore » of NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} a statistical disorder Ni{sup 2+}/Cr{sup 3+} was observed on both the 8g and 4a atomic positions, whereas in NaCoCr{sub 2}(PO{sub 4}){sub 3} the statistical disorder Co{sup 2+}/Cr{sup 3+} was only observed on the 8g atomic position. When tested as negative electrode materials, NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} delivered specific capacities of 352, 385, and 368 mA h g{sup −1}, respectively, which attests to the electrochemical activity of sodium in these compounds. - Highlights: • NaCoCr{sub 2}(PO{sub 4}){sub 3}, NaNiCr{sub 2}(PO{sub 4}){sub 3}, and Na{sub 2}Ni{sub 2}Cr(PO{sub 4}){sub 3} were synthesized by sol-gel method. • The crystal structures were determined by using neutron powder diffraction data. • The three compounds crystallize with a stuffed α-CrPO{sub 4}-type structure. • The three compounds were tested as anodes in sodium-ion batteries. • Relatively high specific capacities were obtained for these compounds.« less

Z-scheme Ag3PO4/POM/GO heterojunction with enhanced photocatalytic performance for degradation and water splitting.

PubMed

Liu, Guodong; Zhao, Xinfu; Zhang, Jian; Liu, Shaojie; Sha, Jingquan

2018-05-01

To develop solar light-driven photocatalysts with high activity and structural stability, Ag3PO4/POM/GO heterojunction has been successfully prepared by a facile method at room temperature. Ag3PO4/POM/GO shows remarkably enhanced activity and stability for photocatalytic degradation and H2 production from water-splitting under simulated solar light. The degradation rate of Ag3PO4/POM/GO is 1.8 times and 1.2 times those of Ag3PO4 and Ag3PO4/POMs, respectively. H2 production using Ag3PO4/POM/GO is 2.0 times that of Ag3PO4/GO. The enhanced photocatalytic performance of Ag3PO4/POM/GO is attributed to the increased surface area, electronegativity and structure stability. The Z-scheme system of Ag3PO4/POM/GO effectively promotes charge separation, resulting in enhanced photocatalytic performance under simulated solar light.

A Comparative Study of Structural Stability and Mechanical and Optical Properties of Fluorapatite (Ca5(PO4)3F) and Lithium Disilicate (Li2Si2O5) Components Forming Dental Glass-Ceramics: First Principles Study

NASA Astrophysics Data System (ADS)

Biskri, Z. E.; Rached, H.; Bouchear, M.; Rached, D.; Aida, M. S.

2016-10-01

The aim of this paper is a comparative study of structural stability and mechanical and optical properties of fluorapatite (FA) (Ca5(PO4)3F) and lithium disilicate (LD) (Li2Si2O5), using the first principles pseudopotential method based on density functional theory (DFT) within the generalized gradient approximation (GGA). The stability of fluorapatite and lithium disilicate compounds has been evaluated on the basis of their formation enthalpies. The results show that fluorapatite is more energetically stable than lithium disilicate. The independent elastic constants and related mechanical properties, including bulk modulus ( B), shear modulus ( G), Young's modulus ( E) and Poisson's ratio ( ν) as well as the Vickers hardness ( H v), have been calculated for fluorapatite compound and compared with other theoretical and experimental results. The obtained values of the shear modulus, Young's modulus and Vickers hardness are smaller in comparison with those of lithium disilicate compound, implying that lithium disilicate is more rigid than fluorapatite. The brittle and ductile properties were also discussed using B/ G ratio and Poisson's ratio. Optical properties such as refractive index n( ω), extinction coefficient k( ω), absorption coefficient α( ω) and optical reflectivity R( ω) have been determined from the calculations of the complex dielectric function ɛ( ω), and interpreted on the basis of the electronic structures of both compounds. The calculated values of static dielectric constant ɛ 1(0) and static refractive index n(0) show that the Li2Si2O5 compound has larger values compared to those of the Ca5(PO4)3F compound. The results of the extinction coefficient show that Li2Si2O5 compound exhibits a much stronger ultraviolet absorption. According to the absorption and reflectivity spectra, we inferred that both compounds are theoretically the best visible and infrared transparent materials.

Micro-Raman observation on the H2PO4- association structures in a supersaturated droplet of potassium dihydrogen phosphate (KH2PO4)

NASA Astrophysics Data System (ADS)

Syed, Kamran Ajmal; Pang, Shu-Feng; Zhang, Yun; Zhang, Yun-Hong

2013-01-01

The efflorescence of an individual KH2PO4 droplet on Teflon substrate was investigated by micro-Raman spectroscopy. With the decrease of relative humidity (RH) from 98.0% to 73.0%, the KH2PO4 droplet lost water gradually and entered into supersaturated state, which was reflected by the area ratio between the water stretching band to the sum of νs-PO2 and νs-P(OH)2 bands of the H2PO4- (A_{H_2 O} /(A_{(ν _s -PO_2 } {+ A}_{ν _s -P(OH)_2 {)}} {)}). In 1.0 mol l-1 KH2PO4 solution, the νs-P(OH)2 and νs-PO2 bands appeared at 877 and 1077 cm-1. In the KH2PO4 droplet, the two bands shifted to 894 and 1039 cm-1 at 98.0% RH, to 899 and 1031 cm-1 at 89.6% RH, and then to 904 and 997 cm-1 at 73.0% RH. Moreover, the aggregation process between the H2PO4- ions was observed from the spectral characteristic of the νs-P(OH)2 band in the concentration process, including the transitions of the H2PO4- ions from monomer in bulk solutions (0.5-1.0 mol l-1) to possible dimers at 98.0% RH and then further to oligomers in the droplet with the RH decrease, which were indicated by the blueshift of the νs-P(OH)2 band and its full width at half-height as a function of the RH. When the RH reached at 72.0%, the anhydrous crystal was obtained. A strong peak appeared at 928 cm-1, implying that the four oxygen atoms of the H2PO4- were all hydrogen bonding through the bridge hydrogen atoms to get the extensive hydrogen-bonded network structure of the H2PO4- association, leading to the symmetric increase of the H2PO4- ion from C2v in dilute solution to quasi-Td in the anhydrous crystal.

Synthesis and characterization of metastable, 20 nm-sized Pna2{sub 1}-LiCoPO{sub 4} nanospheres

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

Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.

The majority of research activities on LiCoPO{sub 4} are focused on the phospho-olivine (space group Pnma), which is a promising high-voltage cathode material for Li-ion batteries. In contrast, comparably little is known about its metastable Pna2{sub 1} modification. Herein, we present a comprehensive study on the structure–property relationships of 15–20 nm Pna2{sub 1}-LiCoPO{sub 4} nanospheres prepared by a simple microwave-assisted solvothermal process. Unlike previous reports, the results indicate that the compound is non-stoichiometric and shows cation-mixing with Co ions on the Li sites, which provides an explanation for the poor electrochemical performance. Co L{sub 2,3}-edge X-ray absorption spectroscopic data confirmmore » the local tetrahedral symmetry of Co{sup 2+}. Comprehensive studies on the thermal stability using thermogravimetric analysis, differential scanning calorimetry, and in situ powder X-ray diffraction show an exothermic phase transition to olivine Pnma-LiCoPO{sub 4} at 527 °C. The influence of the atmosphere and the particle size on the thermal stability is also investigated. - Graphical abstract: Blue nano-sized Pna2{sub 1}-LiCoPO{sub 4,} featuring tetrahedrally-coordinated Co{sup 2+}, was synthesized in a rapid one-step microwave-assisted solvothermal process. The phase relation between this metastable and the stable polymorph was analyzed and electrochemical properties are discussed. - Highlights: • Preparation of uniform 15–20 nm nanospheres of metastable Pna2{sub 1}-LiCoPO{sub 4} polymorph. • Structure redetermination shows cation-mixing (Co blocking Li sites). • In situ investigation of phase transformation to olivine Pnma-LiCoPO{sub 4} at 527 °C. • Pna2{sub 1}-LiCoPO{sub 4} reemerges as a stable high-temperature phase above 800 °C. • X-ray absorption spectroscopy confirms local tetrahedral symmetry (T{sub d} Co{sup 2+}).« less

Effects of photocoagulation on intraretinal PO2 in cat.

PubMed

Budzynski, Ewa; Smith, Jennifer H; Bryar, Paul; Birol, Gulnur; Linsenmeier, Robert A

2008-01-01

To test the hypothesis that intraretinal Po(2) increases after photocoagulation. Anesthetized cats underwent retinal argon laser photocoagulation. At least 4 weeks after treatment, Po(2)-sensitive microelectrodes were used to record intraretinal Po(2) profiles from healed photocoagulation lesions in anesthetized cats breathing air. Histopathologic examination of the retinas was used to confirm that the photoreceptors were destroyed and that the inner retinal layers were preserved, though somewhat disorganized, as in human panretinal photocoagulation (PRP). The retina and tapetum were thinner in the lesioned retina than in the nonphotocoagulated retina. Average Po(2) across the inner 50% of the retina was higher (22 +/- 10 mm Hg) in photocoagulated retina than in untreated retina (14 +/- 7 mm Hg; P < 0.01; n = 13 cats). The minimum Po(2) was also significantly higher, whereas choroidal Po(2) was significantly lower in the photocoagulated retina than in untreated retina. No significant difference was found in the preretinal vitreous. After lesions, inner retinal Po(2) could also be maintained above zero, even in the absence of retinal circulation. Previous measurements showed increased Po(2) in the preretinal vitreous of rabbits and pigs (but not cats) after photocoagulation of the outer retina. These intraretinal measurements in cats provide further evidence for a chronic increase in inner retinal Po(2) in lesioned areas during air breathing.

Stability of Silica- and Enzyme-Treated Palm Oil Under Deep Frying Conditions.

PubMed

Karim, Nur Azwani Ab; Noor, Ahmadilfitri Md; Lee, Yee-Ying; Lai, Oi-Ming

2015-12-01

The oxidative and thermal stability of low diglycerides palm oil produced via silica treatment (sPO) and enzymatic treatment (ePO) compared with standard quality palm oil (SQ) and premium quality palm oil (PQ) was investigated. Both of the oils displayed better oxidative stability compared with SQ as well as significantly higher (P < 0.05) thermal resistance and oxidative strength than SQ and PQ due to lower amounts of partial glycerides. Although the initial induction periods (IPs) of sPO and ePO were significantly lower compared with SQ and PQ, both the oils showed slower drops in their IP values. The darkening effect after frying was significantly (P < 0.05) slower in sPO compared with SQ, PQ, and ePO. Besides, there is no difference p > 0.05 in the rate of FFA formation between sPO and PQ. The anisidine value and peroxide values were lowest in sPO, followed by ePO, PQ, and SQ. © 2015 Institute of Food Technologists®

Get Involved in Education and Public Outreach! The Science Mission Directorate Science E/PO Forums Are Here to Help

NASA Astrophysics Data System (ADS)

Shipp, S. S.; Buxner, S.; Schwerin, T. G.; Hsu, B. C.; Peticolas, L. M.; Smith, D.; Meinke, B. K.

2013-12-01

NASA's Science Mission Directorate (SMD) Education and Public Outreach (E/PO) Forums help to engage, extend, support, and coordinate the efforts of the community of E/PO professionals and scientists involved in Earth and space science education activities. This work is undertaken to maximize the effectiveness and efficiency of the overall national NASA science education and outreach effort made up of individual efforts run by these education professionals. This includes facilitating scientist engagement in education and outreach. The Forums have been developing toolkits and pathways to support planetary, Earth, astrophysics, and heliophysics scientists who are - or who are interested in becoming - involved in E/PO. These tools include: 1) Pathways to learn about SMD and E/PO community announcements and opportunities, share news about E/PO programs, let the E/PO community know you are interested in becoming involved, and discover education programs needing scientist input and/or support. These pathways include weekly e-news, the SMD E/PO online community workspace, monthly community calls, conferences and meetings of opportunity. 2) Portals to help you find out what education resources already exist, obtain resources to share with students of all levels - from K-12 to graduate students, - and disseminate your materials. These include E/PO samplers and toolkits (sampling of resources selected for scientists who work with students, teachers, and the public), the one-stop shop of reviewed resources from the NASA Earth and space science education portfolio NASAWavelength.org, and the online clearinghouse of Earth and space science higher education materials EarthSpace (http://www.lpi.usra.edu/earthspace). 3) Connections to education specialists who can help you design and implement meaningful E/PO programs - small to large. Education specialists can help you understand what research says about how people learn and effective practices for achieving your goals, place your

A new set of K3Fe3(PO4)4·yH2O (0 ≤ y ≤ 1) layered phases obtained by topotactic reactions

NASA Astrophysics Data System (ADS)

Trad, Khiem; Wattiaux, Alain; Ben Amara, Mongi; Delmas, Claude; Carlier, Dany

2018-06-01

K3Fe3(PO4)4·H2O powder was synthesized by Na+/K+ exchange reaction from Na3Fe3(PO4)4 in aqueous medium. The replacement of the sodium cations by the potassium larger ones and water molecules causes a structural distortion leading to P2/n monoclinic K3Fe3(PO4)4·H2O. This new layered phase was characterized by XRD, Mössbauer spectroscopy and magnetic measurements. The study of its thermal stability reveals that other new layered K3Fe3(PO4)4·yH2O with (0 ≤ y ≤ 1) phases can be stabilized up to 600 °C and finally at higher temperature a new K3Fe3(PO4)4 polymorph with a different structural type is irreversibility formed.

Protonic Conductors for Intermediate Temperature Fuel Cell Electrolytes: Superprotonic CsH2PO4 Stabilization and in-Doped SnP2O7 Structure Study

NASA Astrophysics Data System (ADS)

Martinez Salinas, Heber Jair

Proton conductor solid electrolytes CsH2PO4 and In-doped tin pyrophosphate have been investigated as candidates to fill a gap of suitable electrolytes for fuel cells at the intermediate temperature range due their unusually high conductivities between 200 and 300 °C. Unfortunately, in the case of CsH2PO4, complicated experimental conditions, like a humidified environment, or high pressure, are needed to preserve the sought high conducting phase. In the first stage of this work, X-ray diffraction on CsH2PO 4 samples performed in air, and under normal conditions of humidity and pressure, evidence of the cubic phase of CsH2PO4 was observed during short intervals of temperature and time, starting at 215 °C and disappearing completely at 265 °C into a dehydrated phase. An AC impedance spectroscopy experimental setup has been assembled and data has been successfully collected on undoped, and doped CsH2PO 4 samples to investigate the effects of chemical and environmental modifications. Measurements performed in the temperature range 200 - 260 °C, and using the frequency range 1 - 6 MHz, showed that the high conducting phase of undoped CsH2PO4 was present for a very short interval of temperature. Additionally, these measurements showed that nano-silica-doped CsH2PO4, and CsH2PO4 under a humidified environment achieve the highest values of conductivity, above 10-2 S cm-1 among the samples tested. In the second stage of this investigation, AC impedance spectroscopy measurements were successfully performed on CsH2PO4 samples in air, at temperatures from 200 - 260 °C, and in the frequency range 1 - 6 MHz, inside a hermetically sealed stainless-steel chamber, which was designed and assembled in-house. Results showed that the highly conducting phase of CsH2PO 4 was achieved at temperatures measured above 230 °C, reaching conductivity values up to 1.7 x10-2 S cm-1, and remaining stable for over 40 hours. Consequent X-ray diffraction analysis of such samples showed that a

High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7)

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

Bishop, Matthew M.; Velisavljevic, Nenad; Chellappa, Raja

In this study, the pressure–temperature (P–T) phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7) was determined by in situ synchrotron infrared radiation spectroscopy with the resistively heated diamond anvil cell (DAC) technique. The stability of high-P–T FOX-7 polymorphs is established from ambient pressure up to 10 GPa and temperatures until decomposition. The phase diagram indicates two near isobaric phase boundaries at ~2 GPa (α → I) and ~5 GPa (I → II) that persists from 25 °C until the onset of decomposition at ~300 °C. In addition, the ambient pressure, high-temperature α → β phase transition (~111 °C) lies along a steep boundarymore » (~100 °C/GPa) with a α–β–δ triple point at ~1 GPa and 300 °C. A 0.9 GPa isobaric temperature ramping measurement indicates a limited stability range for the γ-phase between 0.5 and 0.9 GPa and 180 and 260 °C, terminating in a β–γ–δ triple point. With increasing pressure, the δ-phase exhibited a small negative dT/dP slope (up to ~0.2 GPa) before turning over to a positive 70 °C/GPa slope, at higher pressures. The decomposition boundary (~55 °C/GPa) was identified through the emergence of spectroscopic signatures of the characteristic decomposition products as well as trapped inclusions within the solid KBr pressure media.« less

High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7)

DOE PAGES

Bishop, Matthew M.; Velisavljevic, Nenad; Chellappa, Raja; ...

2015-08-27

In this study, the pressure–temperature (P–T) phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7) was determined by in situ synchrotron infrared radiation spectroscopy with the resistively heated diamond anvil cell (DAC) technique. The stability of high-P–T FOX-7 polymorphs is established from ambient pressure up to 10 GPa and temperatures until decomposition. The phase diagram indicates two near isobaric phase boundaries at ~2 GPa (α → I) and ~5 GPa (I → II) that persists from 25 °C until the onset of decomposition at ~300 °C. In addition, the ambient pressure, high-temperature α → β phase transition (~111 °C) lies along a steep boundarymore » (~100 °C/GPa) with a α–β–δ triple point at ~1 GPa and 300 °C. A 0.9 GPa isobaric temperature ramping measurement indicates a limited stability range for the γ-phase between 0.5 and 0.9 GPa and 180 and 260 °C, terminating in a β–γ–δ triple point. With increasing pressure, the δ-phase exhibited a small negative dT/dP slope (up to ~0.2 GPa) before turning over to a positive 70 °C/GPa slope, at higher pressures. The decomposition boundary (~55 °C/GPa) was identified through the emergence of spectroscopic signatures of the characteristic decomposition products as well as trapped inclusions within the solid KBr pressure media.« less

Targeted partial surface modification with nano-SiO2@Li2CoPO4F as high-voltage cathode material for LIBs

NASA Astrophysics Data System (ADS)

Chang, Caiyun; Huang, Zhipeng; Tian, Runsai; Jiang, Xinyu; Li, Chunsheng; Feng, Jijun

2017-10-01

Tuning whole/partial surface modification on cathode material with oxide material is a sought-after method to enhance the electrochemical performance in power storage field. Herein, nano-SiO2 targeted partial surface modified high voltage cathode material Li2CoPO4F has been successfully fabricated via a facile self-assembly process in silica dispersion at ambient temperature. With the aid of polar -OH groups attracted on the surface of SiO2 micelles, the nano-SiO2 preferentially nestle up along the borders and boundaries of Li2CoPO4F particles, where protection should be deployed with emphasis against the undesirable interactions between materials and electrolytes. Compared with pristine Li2CoPO4F, the SiO2 selectively modified Li2CoPO4F cathode materials, especially LCPF-3S, exhibit desirable electrochemical performances with higher discharge capacity, more outstanding cycle stability and favorable rate capability without any additional carbon involved. The greatly enhanced electrochemical properties can be attributed to the improved lithium-ion diffusion kinetics and structure tolerance during repeated lithiation/delithiation process. Such findings reveal a great potential of nano-SiO2 modified Li2CoPO4F as high energy cathode material for lithium ion batteries.

Working with NASA's OSS E/PO Support Network

NASA Astrophysics Data System (ADS)

Miner, E. D.; Lowes, L. L.

2001-11-01

With greater and greater emphasis on the inclusion of a public engagement component in all government-supported research funding, many members of the DPS are finding it difficult to find sufficient time and funding to develop a wide-reaching and effective E/PO program. NASA's Office of Space Science, over the last five years, has built a Support Network to assist its funded scientists to establish partnerships with local and/or national science formal or informal education organizations, who are anxious to connect with and use the expertise of space scientists. The OSS Support Network consists of four theme-based 'Forums,' including the Solar System Exploration (SSE) Forum, specifically designed for working with planetary scientists, and seven regional 'Brokers-Facilitators' who are more familiar with partnership and other potential avenues for involvement by scientists. The services provided by the Support Network are free to both the scientists and their potential partners and is not limited to NASA-funded scientists. In addition to its assistance to space scientists, the Support Network is involved in a number of other overarching efforts, including support of a Solar System Ambassador Program, a Solar System Educator Program, Space Place (web and e-mail science products for libraries and small planetariums and museums), an on-line Space Science Resource Directory, annual reports of Space Science E/PO activity, identifying and filling in 'holes' and 'over-populations' in a solar system E/PO product matrix of grade level versus product versus content, research on product effectiveness, and scientific and educational evaluation of space science products. Forum and Broker-Facilitator contact information is available at http://spacescience.nasa.gov/education/resources/ecosystem/index.htm. Handouts with additional information will be available at the meeting.

A mass spectrometric study of gaseous H4PO+3 and H2PO-3 ions

NASA Astrophysics Data System (ADS)

de Petris, Giulia; Occhiucci, Giorgio; Pepi, Federico

1994-09-01

H4PO+3 ions have been generated in a mass spectrometer by proton-transfer to H3PO3 from different Brønsted acids. The proton affinity of H3PO3 has been estimated by bracketing and kinetic methods to be 198.6 ± 2 kcal mol-1. Gaseous H4PO+3 ions have been structurally assessed by metastable ion kinetic energy (MIKE) and collisionally induced dissociation (CID) mass spectrometry leading to the detection of a single isomeric species. The chemistry of H2PO-3 is characterized by facile addition-elimination reactions leading to formation of polyanions. Species containing up to six P atoms have been detected.

Photocatalytic activity of attapulgite-TiO2-Ag3PO4 ternary nanocomposite for degradation of Rhodamine B under simulated solar irradiation

NASA Astrophysics Data System (ADS)

He, Hongcai; Jiang, Zhuolin; He, Zhaoling; Liu, Tao; Li, Enzhu; Li, Bao-Wen

2018-01-01

An excellent ternary composite photocatalyst consisting of silver orthophosphate (Ag3PO4), attapulgite (ATP), and TiO2 was synthesized, in which heterojunction was formed between dissimilar semiconductors to promote the separation of photo-generated charges. The ATP/TiO2/Ag3PO4 composite was characterized by SEM, XRD, and UV-vis diffuse reflectance spectroscopy. The co-deposition of Ag3PO4 and TiO2 nanoparticles onto the surface of ATP forms a lath-particle structure. Compared with composite photocatalysts consisting of two phases, ATP/TiO2/Ag3PO4 ternary composite exhibits greatly improved photocatalytic activity for degradation of rhodamine B under simulated solar irradiation. Such ternary composite not only improves the stability of Ag3PO4, but also lowers the cost by reducing application amount of Ag3PO4, which provides guidance for the design of Ag3PO4- and Ag-based composites for photocatalytic applications.

Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R2P)2E (E = Ge, Sn).

PubMed

Izod, Keith; Evans, Peter; Waddell, Paul G; Probert, Michael R

2016-10-17

A rare P-E π interaction between the lone pair of a planar P center and the vacant p orbital at the Ge or Sn center provides efficient stabilization for P-substituted tetrylenes (R 2 P) 2 E (E = Ge, Sn) and enables isolation of the first example of a compound with a crystallographically authenticated P═Sn bond. Subtle changes in the electronic properties of the bulky aryl substituents in these compounds change the preference for planar versus pyramidal P centers in the solid state; however, variable-temperature NMR spectroscopy indicates that in solution these species are subject to a dynamic equilibrium, which interconverts the planar and pyramidal P centers. Consistent with this, density functional theory studies suggest that there is only a small energy difference between the planar and pyramidal forms of these compounds and reveal a small singlet-triplet energy separation, suggesting potentially interesting reactivities.

Three-Dimensional Ordered Macroporous FePO4 as High-Efficiency Catalyst for Rechargeable Li-O2 Batteries.

PubMed

Li, Chao; Guo, Ziyang; Pang, Ying; Sun, Yunhe; Su, Xiuli; Wang, Yonggang; Xia, Yongyao

2016-11-23

The Li-O 2 battery is receiving much recent attention because of its superhigh theoretical energy density. However, its performance is limited by the irreversible formation/decomposition of Li 2 O 2 on the cathode and the undesired electrolyte decomposition. In this work, low-cost three-dimensional ordered macroporous (3DOM) FePO 4 is synthesized by using polystyrene (PS) spheres template in a facile experimental condition and applied as a high-efficiency catalyst for rechargeable Li-O 2 batteries, including good rate performance, high specific capacity, and perfect cycling stability. The superior performances can be attributed to the unique structure of 3DOM FePO 4 cathodes, which can provide an efficient buffer space for O 2 /Li 2 O 2 conversion. In addition, it is demonstrated that the Li + intercalation/deintercalation behavior of 3DOM FePO 4 in ether-based electrolyte can contribute to capacity for Li-O 2 batteries over cycling. As a result, when there is no O 2 in the environment, the Li-O 2 cell can also be operated as a rechargeable Li-FePO 4 cell with a perfect cycle capability.

Field-induced reentrant magnetoelectric phase in LiNiPO 4

DOE PAGES

Toft-Petersen, Rasmus; Fogh, Ellen; Kihara, Takumi; ...

2017-02-21

Using pulsed magnetic fields up to 30 T we have measured the bulk magnetization and electrical polarization of LiNiPO 4 and have studied its magnetic structure by time-of-flight neutron Laue diffraction. Our data establish the existence of a reentrant magnetoelectric phase between 19 T and 21 T. We show that a magnetized version of the zero field commensurate structure explains the magnetoelectric response quantitatively. The stability of this structure suggests a field-dependent spin anisotropy. Above 21 T , a magnetoelectrically inactive, short-wavelength incommensurate structure is identified. Lastly, our results demonstrate the combination of pulsed fields with epithermal neutron Laue diffractionmore » as a powerful method to probe even complex phase diagrams in strong magnetic fields.« less

Pourbaix diagrams for the ternary system of iron-chromium-nickel

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

Beverskog, B.; Puigdomenech, I.

1999-11-01

Pourbaix diagrams (potential-pH diagrams) for the ternary system of Fe-Cr-Ni at 25 C to 300 C were calculated. Extrapolation of thermochemical data to elevated temperatures was performed with the revised model of Helgeson-Kirkham-Flowers, which also allows uncharged aqueous complexes to be handled. The large stability of the bimetallic spinel oxides (trevorite [NiFe{sub 2}O{sub 4}], chromite [FeCr{sub 2}O{sub 4}], and nichromite [NiCr{sub 2}O{sub 4}]) is shown by their predominance areas on top of those for the single metal Pourbaix diagrams. NiFe{sub 2}O{sub 4} had the largest stability area of the spinels, and it covered the entire potential range for the stabilitymore » of water at intermediate pH. FeCr{sub 2}O{sub 4} had the smallest stability area and was the least stable of the bimetallic spinels. Results were discussed in connection with the different chemistries used in nuclear power reactors of the boiling water type.« less

Compositions of supersaturated solutions for enhanced growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and K(H{sub x}D{sub 1-x}){sub 2}PO{sub 4} single crystals

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

Soboleva, L. V., E-mail: afkonst@ns.crys.ras.ru

2008-05-15

The possibility of determining the optimal compositions and temperatures of supersaturated solutions for enhanced growth of single crystals of congruently and incongruently dissolving solid phases from the solubility diagrams of ternary systems is shown, and this approach is justified. The NiSO{sub 4}-H{sub 2}SO{sub 4}-H{sub 2}O, Me{sub 2}SO{sub 4}-NiSO{sub 4}-H{sub 2}O, and Me{sub 2}O-P{sub 2}O{sub 5}-H{sub 2}O(D{sub 2}O) systems have been used to determine the optimal compositions and temperatures of supersaturated solutions for growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and Kmore » (H{sub x} D{sub 1-x}){sub 2}PO{sub 4} (D is deuterium) single crystals.« less

In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO4.0.667H2O to the hexagonal LnPO4 (Ln = Nd, Sm, Gd, Eu and Dy)

NASA Astrophysics Data System (ADS)

Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas

2017-05-01

The dehydration process of the hydrated rhabdophane LnPO4.0.667H2O (Ln = La to Dy) was thoroughly studied over the combination of in situ high resolution synchrotron powder diffraction and TGA experiments. In the case of SmPO4.0.667H2O (monoclinic, C2), a first dehydration step was identified around 80 °C leading to the formation of SmPO4.0.5H2O (Monoclinic, C2) with Z =12 and a =17.6264(1) Å, b =6.9704(1) Å, c =12.1141(1) Å, β=133.74(1) °, V =1075.33(1) Å3. In agreement with the TGA and dilatometry experiments, all the water molecules were evacuated above 220 °C yielding to the anhydrous form, which crystallizes in the hexagonal P3121 space group with a =7.0389(1) Å, c =6.3702(1) Å and V =273.34(1) Å3. This study was extended to selected LnPO4.0.667H2O samples (Ln= Nd, Gd, Eu, Dy) and the obtained results confirmed the existence of two dehydration steps before the stabilization of the anhydrous form, with the transitory formation of LnPO4.0.5H2O.

We Need You! The Importance of Scientist Involvement in Education and Public Outreach (E/PO)

NASA Astrophysics Data System (ADS)

Buxner, S.; Hsu, B. C.; Meinke, B. K.; Shipp, S. S.; Schwerin, T. G.; Peticolas, L. M.; Smith, D.; Dalton, H.

2013-12-01

Active engagement of scientists in education and public outreach (E/PO) activities is beneficial for scientists, classrooms, and the general public. Scientist visibility in the public arena is important to garner public support, whose tax dollars fund scientific programs. Scientists are important disseminators of current, accurate scientific knowledge. They also, perhaps more importantly, understand the nature and process of science and have the means of understanding and addressing many of the issues facing society. Research has shown that while the public is interested in science, not all members are necessarily scientifically literate; additionally there is evidence than many students are not prepared for, or choosing to participate in science careers. And yet, a scientifically engaged, literate, and supportive public is a necessary partner in addressing important global challenges of the future. E/PO is a wonderful opportunity for scientists to demonstrate that science is interesting, exciting, fun, challenging, and relevant to society. In doing so, they can transfer ownership of science to the public through a variety of vehicles by increasing access to scientific thought and discovery. Through partnerships with E/PO professionals, teachers, or journalists, scientists can improve their communication and teaching skills, whether in an E/PO setting or their higher education careers. Sharing with the public what scientists do is an effective way to engage people in the scientific process and to express scientists' enthusiasm for what they do. Scientist involvement in E/PO also shows the public that scientists are real people and provides important role models for the next generation of scientists. There are many opportunities to get involved in E/PO! Find information on EarthSpace, a national clearinghouse for higher education materials in Earth and space science through an abstract by Nicholas Gross, et al. Learn about NASA Science Mission Directorate (SMD

Two-photon microscopy measurement of CMRO2 using periarteriolar PO2 gradients(Conference Presentation)

NASA Astrophysics Data System (ADS)

Sakadžić, Sava; Yaseen, Mohammad A.; Jaswal, Rajeshwer S.; Roussakis, Emmanuel; Dale, Anders M.; Buxton, Richard B.; Vinogradov, Sergei A.; Boas, David A.; Devor, Anna

2017-02-01

The cerebral metabolic rate of oxygen (CMRO2) is an essential parameter for evaluating brain function and pathophysiology. Measurements of CMRO2 with high spatio-temporal resolution are critically important for understanding how the brain copes with metabolic and blood perfusion changes associated with various clinical conditions, such as stroke, periinfarct depolarizations, and various microvasculopathies (e.g., Alzheimer's disease, chronic hypertension). CMRO2 measurements are also important for understanding the physiological underpinnings of functional Magnetic Resonance Imaging signals. However, the currently available approaches for quantifying CMRO2 rely on complex multimodal imaging and mathematical modeling. Here, we introduce a novel method that allows estimation of CMRO2 based on a single measurement modality - two-photon phosphorescence lifetime microscopy (2PLM) imaging of the partial pressure of oxygen (PO2) in cortical tissue. CMRO2 is estimated by fitting the changes of tissue PO2 around cortical penetrating arterioles with the Krogh cylinder model of oxygen diffusion. We measured the baseline CMRO2 in anesthetized rats, and modulated tissue PO2 levels by manipulating the depth of anesthesia. This method has a spatial resolution of approximately 200 μm and it may provide CMRO2 measurements in individual cortical layers or within confined cortical regions such as in ischemic penumbra and the foci of functional activation.

Flight control systems properties and problems. Volume 2: Block diagram compendium

NASA Technical Reports Server (NTRS)

Johnston, D. E.

1975-01-01

A compendium of stability augmentation system and autopilot block diagrams is presented. Descriptive materials for 48 different types of aircraft systems are provided. A broad representation of the many mechanical approaches which have been used for aircraft control is developed.

Engaging Scientists in Meaningful E/PO: How the NASA SMD E/PO Community Addresses the Needs of the Higher Ed Community

NASA Astrophysics Data System (ADS)

Manning, James; Meinke, Bonnie K.; Schultz, Gregory R.; Smith, Denise A.; Lawton, Brandon L.; Gurton, Suzanne; NASA Astrophysics E/PO Community

2015-01-01

The NASA Astrophysics Science Education and Public Outreach Forum (SEPOF) coordinates the work of NASA Science Mission Directorate (SMD) Astrophysics EPO projects and their teams to bring cutting-edge discoveries of NASA missions to the introductory astronomy college classroom. The Astrophysics Forum assists scientist and educator involvement in SMD E/PO (uniquely poised to foster collaboration between scientists with content expertise and educators with pedagogy expertise) and makes SMD E/PO resources and expertise accessible to the science and education communities. We present three new opportunities for college instructors to bring the latest NASA discoveries in Astrophysics into their classrooms.To address the expressed needs of the higher education community, the Astrophysics Forum collaborated with the Astrophysics E/PO community, researchers, and Astronomy 101 instructors to place individual science discoveries and learning resources into context for higher education audiences. Among these resources are two Resource Guides on the topics of cosmology and exoplanets, each including a variety of accessible sources.The Astrophysics Forum also coordinates the development of the Astro 101 slide set series--5 to 7-slide presentations on new discoveries from NASA Astrophysics missions relevant to topics in introductory astronomy courses. These sets enable Astronomy 101 instructors to include new discoveries not yet in their textbooks into the broader context of the course: http://www.astrosociety.org/education/astronomy-resource-guides/.The Astrophysics Forum also coordinated the development of 12 monthly Universe Discovery Guides, each featuring a theme and a representative object well-placed for viewing, with an accompanying interpretive story, strategies for conveying the topics, and supporting NASA-approved education activities and background information from a spectrum of NASA missions and programs: http://nightsky.jpl.nasa.gov/news-display.cfm?News_ID=611

Influences of neodymium doping on magnetic and electrochemical properties of Li3V2(PO4)3/C synthesized via a sol-gel method

NASA Astrophysics Data System (ADS)

Liu, Liying; Qiu, Yongbin; Mai, Yongzhi; Wu, Qibai; Zhang, Haiyan

2015-11-01

A series of neodymium doped Li3V2-xNdx(PO4)3/C cathode materials have been successfully synthesized by a citric acid assisted sol-gel method. Nd doped samples (x ≤ 0.10) have well developed monoclinic structure of Li3V2(PO4)3 with enlarged unit cell volume. All samples present typical characteristics of paramagnetism in 4 < T ≤ 300 K, but the magnetic susceptibilities of Nd doped samples increase with Nd content (except for x = 0.15). Nd doped composites show better electrochemical property than that of the undoped one. Among them, the Li3V1.95Nd0.05(PO4)3/C displays the highest capacity and best cycle stability. The Li3V1.95Nd0.05(PO4)3/C presents the first discharge capacity of 129.2 mAh g-1 at 1 C rate in the voltage range of 3.0-4.3 V, 21.7% higher than that of Li3V2(PO4)3/C. And no capacity loss occurs after 100 cycles. The high structural stability, low charge-transfer resistance and rapid Li+ diffusion due to the presence of Nd3+ are mainly responsible for the superior electrochemical performance of Nd doped Li3V2(PO4)3/C cathode materials.

Smad Ubiquitylation Regulatory Factor 1/2 (Smurf1/2) Promotes p53 Degradation by Stabilizing the E3 Ligase MDM2*

PubMed Central

Nie, Jing; Xie, Ping; Liu, Lin; Xing, Guichun; Chang, Zhijie; Yin, Yuxin; Tian, Chunyan; He, Fuchu; Zhang, Lingqiang

2010-01-01

The tumor suppressor p53 protein is tightly regulated by a ubiquitin-proteasomal degradation mechanism. Several E3 ubiquitin ligases, including MDM2 (mouse double minute 2), have been reported to play an essential role in the regulation of p53 stability. However, it remains unclear how the activity of these E3 ligases is regulated. Here, we show that the HECT-type E3 ligase Smurf1/2 (Smad ubiquitylation regulatory factor 1/2) promotes p53 degradation by enhancing the activity of the E3 ligase MDM2. We provide evidence that the role of Smurf1/2 on the p53 stability is not dependent on the E3 activity of Smurf1/2 but rather is dependent on the activity of MDM2. We find that Smurf1/2 stabilizes MDM2 by enhancing the heterodimerization of MDM2 with MDMX, during which Smurf1/2 interacts with MDM2 and MDMX. We finally provide evidence that Smurf1/2 regulates apoptosis through p53. To our knowledge, this is the first report to demonstrate that Smurf1/2 functions as a factor to stabilize MDM2 protein rather than as a direct E3 ligase in regulation of p53 degradation. PMID:20484049

High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4

NASA Astrophysics Data System (ADS)

Errandonea, D.; Gomis, O.; Rodríguez-Hernández, P.; Muñoz, A.; Ruiz-Fuertes, J.; Gupta, M.; Achary, S. N.; Hirsch, A.; Manjon, F. J.; Peters, L.; Roth, G.; Tyagi, A. K.; Bettinelli, M.

2018-02-01

Monazite-type BiPO4, LaPO4, CePO4, and PrPO4 have been studied under high pressure by ab initio simulations and Raman spectroscopy measurements in the pressure range of stability of the monazite structure. A good agreement between experimental and theoretical Raman-active mode frequencies and pressure coefficients has been found which has allowed us to discuss the nature of the Raman-active modes. Besides, calculations have provided us with information on how the crystal structure is modified by pressure. This information has allowed us to determine the equation of state and the isothermal compressibility tensor of the four studied compounds. In addition, the information obtained on the polyhedral compressibility has been used to explain the anisotropic axial compressibility and the bulk compressibility of monazite phosphates. Finally, we have carried out a systematic discussion on the high-pressure behavior of the four studied phosphates in comparison to results of previous studies.

Designing of luminescent GdPO4:Eu@LaPO4@SiO2 core/shell nanorods: Synthesis, structural and luminescence properties

NASA Astrophysics Data System (ADS)

Ansari, Anees A.; Labis, Joselito P.; Aslam Manthrammel, M.

2017-09-01

GdPO4:Eu3+ (core) and GdPO4:Eu@LaPO4 (core/shell) nanorods (NRs) were successfully prepared by urea based co-precipitation process at ambient conditions which was followed by coating with amorphous silica shell via the sol-gel chemical route. The role of surface coating on the crystal structure, crystallinity, morphology, solubility, surface chemistry and luminescence properties were well investigated by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, Fourier Transform Infrared (FTIR), UV-Vis, and photoluminescence spectroscopy. XRD pattern revealed highly purified, well-crystalline, single phase-hexagonal-rhabdophane structure of GdPO4 crystal. The TEM micrographs exhibited highly crystalline and narrow size distributed rod-shaped GdPO4:Eu3+ nanostructures with average width 14-16 nm and typical length 190-220 nm. FTIR spectra revealed characteristic infrared absorption bands of amorphous silica. High absorbance in a visible region of silica modified core/shell/Si NRs in aqueous environment suggests the high solubility along with colloidal stability. The photoluminescence properties were remarkably enhanced after growth of undoped LaPO4 layers due to the reduction of nonradiative transition rate. The advantages of presented high emission intensity and high solubility of core/shell and core/shell/Si NRs indicated the potential applications in monitoring biological events.

Visible light induced H2PO(4)(-) removal over CuAlO2 catalyst.

PubMed

Benreguia, N; Omeiri, S; Bellal, B; Trari, M

2011-09-15

The delafossite CuAlO(2) is successfully used for the visible light driven H(2)PO(4)(-) reduction. It is prepared from the nitrates decomposition in order to increase the ratio of reaction surface per given mass. CuAlO(2) is a narrow band gap semiconductor which exhibits a good chemical stability with a corrosion rate of 1.70 μmol year(-1) at neutral pH. The flat band potential (+0.25 V(SCE)) is determined from the Mott-Schottky characteristic. Hence, the conduction band, positioned at (-1.19 V(SCE)), lies below the H(2)PO(4)(-) level yielding a spontaneous reduction under visible illumination. The photocatalytic process is investigated under mild conditions and 30% conversion occurs in less than ~6h with a quantum efficiency of 0.04% under full light. The concentration decreases by a factor of 39% after a second cycle. The photoactivity follows a first order kinetic with a rate constant of 6.6 × 10(-2)h(-1). The possibility of identifying the reaction products via the intensity-potential characteristics is explored. The decrease of the conversion rate over illumination time is due to the competitive water reduction. Copyright © 2011 Elsevier B.V. All rights reserved.

The Time History of Events and Macroscale Interactions during Substorms (THEMIS) Education and Outreach (E/PO) Program

NASA Astrophysics Data System (ADS)

Peticolas, L. M.; Craig, N.; Odenwald, S. F.; Walker, A.; Russell, C. T.; Angelopoulos, V.; Willard, C.; Larson, M. B.; Hiscock, W. A.; Stoke, J. M.; Moldwin, M. B.

2008-12-01

During the pre-launch phase of NASA’s THEMIS mission, the Education and Public Outreach (E/PO) program successfully brought the excitement of THEMIS to the public, students and teachers through a variety of programs. The Geomagnetic Event Observation Network by Students (GEONS) was the main effort during this time, a project in which 13 magnetometers were placed in or near 13 rural schools across the country. High school teachers and a few middle school teachers at these and/or neighboring schools took part in a long-term professional development program based around space science and the magnetometer data. The teachers created week-long to semester-long projects during which their students worked on THEMIS lessons that they, their colleagues, and the E/PO team created. In addition to this program, THEMIS E/PO also launched the only Lawrence Hall of Science (LHS) Great Explorations in Mathematics and Science (GEMS) site in Nevada. This site provides a sustainable place for teacher professional development using hands-on GEMS activities, and has been used by teachers around the state of Nevada. Short-term professional development for K-12 teachers (one-hour to two-day workshops), with a focus on the Tribal College and Society for the Advancement of Chicanos and Native Americans in Science (SACNAS) communities have reached hundreds of teachers across the country. A Space Telescope Science Institute (STScI) ViewSpace show on auroras and THEMIS was created and distributed, and shown in over a hundred science centers and museums nationwide. The THEMIS E/PO program developed and maintained a THEMIS E/PO Website for dissemination of (1) information and multimedia about the science and engineering of THEMIS, (2) updated news about the mission in language appropriate for the public, (3) the GEONS data, the GEONS teacher guides with classroom activities, and (4) information about the THEMIS E/PO program. Hundreds of thousands of visitors have viewed this website. In this

Electrochemical performance of La2O3/Li2O/TiO2 nano-particle coated cathode material LiFePO4.

PubMed

Wang, Hong; Yang, Chi; Liu, Shu-Xin

2014-09-01

Cathode material, LiFePO4 was modified by coating with a thin layer of La2O3/Li2O/TiO2 nano-particles for improving its performance for lithium ion batteries. The morphology and structure of the modified cathode material were characterized by powder X-ray diffraction, scanning electron microcopy and AES. The performance of the battery with the modified cathode material, including cycling stability, C-rate discharge was examined. The results show that the battery composed of the coated cathode materials can discharge at a large current density and show stable cycling performance in the range from 2.5 to 4.0 V. The rate of Li ion diffusion increases in the battery with the La2O3/Li2O/TiO2-coated LiFePO4 as a cathode and the coating layer may acts as a faster ion conductor (La(2/3-x)Li(3x)TiO3).

Engineering 3D bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite for lithium storage with high rate capability and long cycle stability

PubMed Central

Zhang, Qian; Huang, Shao-Zhuan; Jin, Jun; Liu, Jing; Li, Yu; Wang, Hong-En; Chen, Li-Hua; Wang, Bin-Jie; Su, Bao-Lian

2016-01-01

A highly crystalline three dimensional (3D) bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite constructed by nanoparticles in the range of 50~100 nm via a rapid microwave assisted solvothermal process followed by carbon coating have been synthesized as cathode material for high performance lithium-ion batteries. The abundant 3D macropores allow better penetration of electrolyte to promote Li+ diffusion, the mesopores provide more electrochemical reaction sites and the carbon layers outside LiFePO4 nanoparticles increase the electrical conductivity, thus ultimately facilitating reverse reaction of Fe3+ to Fe2+ and alleviating electrode polarization. In addition, the particle size in nanoscale can provide short diffusion lengths for the Li+ intercalation-deintercalation. As a result, the 3D macro-mesoporous nanosized LiFePO4/C electrode exhibits excellent rate capability (129.1 mA h/g at 2 C; 110.9 mA h/g at 10 C) and cycling stability (87.2% capacity retention at 2 C after 1000 cycles, 76.3% at 5 C after 500 cycles and 87.8% at 10 C after 500 cycles, respectively), which are much better than many reported LiFePO4/C structures. Our demonstration here offers the opportunity to develop nanoscaled hierarchically porous LiFePO4/C structures for high performance lithium-ion batteries through microwave assisted solvothermal method. PMID:27181195

Engineering 3D bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite for lithium storage with high rate capability and long cycle stability.

PubMed

Zhang, Qian; Huang, Shao-Zhuan; Jin, Jun; Liu, Jing; Li, Yu; Wang, Hong-En; Chen, Li-Hua; Wang, Bin-Jie; Su, Bao-Lian

2016-05-16

A highly crystalline three dimensional (3D) bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite constructed by nanoparticles in the range of 50~100 nm via a rapid microwave assisted solvothermal process followed by carbon coating have been synthesized as cathode material for high performance lithium-ion batteries. The abundant 3D macropores allow better penetration of electrolyte to promote Li(+) diffusion, the mesopores provide more electrochemical reaction sites and the carbon layers outside LiFePO4 nanoparticles increase the electrical conductivity, thus ultimately facilitating reverse reaction of Fe(3+) to Fe(2+) and alleviating electrode polarization. In addition, the particle size in nanoscale can provide short diffusion lengths for the Li(+) intercalation-deintercalation. As a result, the 3D macro-mesoporous nanosized LiFePO4/C electrode exhibits excellent rate capability (129.1 mA h/g at 2 C; 110.9 mA h/g at 10 C) and cycling stability (87.2% capacity retention at 2 C after 1000 cycles, 76.3% at 5 C after 500 cycles and 87.8% at 10 C after 500 cycles, respectively), which are much better than many reported LiFePO4/C structures. Our demonstration here offers the opportunity to develop nanoscaled hierarchically porous LiFePO4/C structures for high performance lithium-ion batteries through microwave assisted solvothermal method.

Diagramming Transactive Building Business Cases: Using Principles of e3 Value to Document Valuation Studies

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

Hammerstrom, Donald J.; Makhmalbaf, Atefe; Marinovici, Maria C.

Energy management in buildings is becoming more transactive. Pacific Northwest National Laboratory and the U.S. Department of Energy Building Technologies Office recently defined innovative use cases wherein market-like mechanisms are used to manage energy within buildings, between buildings, and between buildings and third-party entities, such as power utilities. A next step toward defining a set of transactive use cases in the buildings domain is to carefully diagram the corresponding business cases to capture details of transactions among all stakeholders and their economic value propositions. The principles of e3-value diagramming are applied in this report toward creating business value diagrams. Thesemore » principles are extended to be consistent with Universal Modeling Language use-case diagrams. Example diagrams are presented for a subset of buildings-domain use cases that were introduced in an earlier Pacific Northwest National Laboratory report. The diagrams are intended to clearly represent an understanding of the transactions through which individual entities accumulate value in their respective use cases, and the diagrams should therefore support economic valuation studies. The report reviews some of the foundational principles of e3 value and includes authors’ insights concerning the formulation of these diagrams using Universal Modeling Language as a more systematic modeling approach.« less

Synthesis and performances of 2LiFePO4·Li3V2(PO4)3/C cathode materials via spray drying method with double carbon sources

NASA Astrophysics Data System (ADS)

Zhang, Jia-feng; Shen, Chao; Zhang, Bao; Zheng, Jun-chao; Peng, Chun-li; Wang, Xiao-wei; Yuan, Xin-bo; Li, Hui; Chen, Guo-min

2014-12-01

The 2LiFePO4·Li3V2(PO4)3/C samples are synthesized through spray drying method. Glucose and oxalic acid are used as collaborative carbon sources to improve the electrochemical performance of 2LiFePO4·Li3V2(PO4)3/C composites. XRD results reveal the LiFePO4·Li3V2(PO4)3/C samples are composed of orthorhombic LiFePO4 and monoclinic Li3V2(PO4)3 phases. SEM results reveal that the nano-spherical Fe4(VO4)4·5H2O are about 80 nm and the 2LiFePO4·Li3V2(PO4)3/C composites possess a micro-nano spherical morphology with carbon coating layer. The samples show the best electrochemical performance when the mass ration of glucose and oxalic is 6:4, it can deliver a capacity of 147.6 mAh g-1, 145.0 mAh g-1, 134.1 mAh g-1 and 123.0 mAh g-1 at the rates of 0.1C, 1C, 5C and 10C, respectively.

Co3(PO4)2·4H2O

PubMed Central

Lee, Young Hoon; Clegg, Jack K.; Lindoy, Leonard F.; Lu, G. Q. Max; Park, Yu-Chul; Kim, Yang

2008-01-01

Single crystals of Co3(PO4)2·4H2O, tricobalt(II) bis­[ortho­phosphate(V)] tetra­hydrate, were obtained under hydro­thermal conditions. The title compound is isotypic with its zinc analogue Zn3(PO4)2·4H2O (mineral name hopeite) and contains two independent Co2+ cations. One Co2+ cation exhibits a slightly distorted tetra­hedral coordination, while the second, located on a mirror plane, has a distorted octa­hedral coordination environment. The tetra­hedrally coordinated Co2+ is bonded to four O atoms of four PO4 3− anions, whereas the six-coordinate Co2+ is cis-bonded to two phosphate groups and to four O atoms of four water mol­ecules (two of which are located on mirror planes), forming a framework structure. In addition, hydrogen bonds of the type O—H⋯O are present throughout the crystal structure. PMID:21200978

Critical evaluation of the stability of highly concentrated LiTFSI - Acetonitrile electrolytes vs. graphite, lithium metal and LiFePO4 electrodes

NASA Astrophysics Data System (ADS)

Nilsson, Viktor; Younesi, Reza; Brandell, Daniel; Edström, Kristina; Johansson, Patrik

2018-04-01

Highly concentrated LiTFSI - acetonitrile electrolytes have recently been shown to stabilize graphite electrodes in lithium-ion batteries (LIBs) much better than comparable more dilute systems. Here we revisit this system in order to optimise the salt concentration vs. both graphite and lithium metal electrodes with respect to electrochemical stability. However, we observe an instability regardless of concentration, making lithium metal unsuitable as a counter electrode, and this also affects evaluation of e.g. graphite electrodes. While the highly concentrated electrolytes have much improved electrochemical stabilities, their reductive decomposition below ca. 1.2 V vs. Li+/Li° still makes them less practical vs. graphite electrodes, and the oxidative reaction with Al at ca. 4.1 V vs. Li+/Li° makes them problematic for high voltage LIB cells. The former originates in an insufficiently stable solid electrolyte interphase (SEI) dissolving and continuously reforming - causing self-discharge, as observed by paused galvanostatic cycling, while the latter is likely caused by aluminium current collector corrosion. Yet, we show that medium voltage LiFePO4 positive electrodes can successfully be used as counter and reference electrodes.

Improving the electrochemical performances of Li-rich Li1.20Ni0.13Co0.13Mn0.54O2 through a cooperative doping of Na+ and PO43- with Na3PO4

NASA Astrophysics Data System (ADS)

Liu, Yi; Ning, De; Zheng, Lirong; Zhang, Qinghua; Gu, Lin; Gao, Rui; Zhang, Jicheng; Franz, Alexandra; Schumacher, Gerhard; Liu, Xiangfeng

2018-01-01

Li-rich layered oxide cathodes suffer from poor rate capability, voltage decay and inferior cycling stability. Herein, we propose a novel synergistic strategy to improve the electrochemical performances of Li-rich Li1.20Ni0.13Co0.13Mn0.54O2 by the co-doping of Na+ and PO43-. The co-doping of Na+ for Li and PO43- for Mn is simultaneously achieved using Na3PO4 as a dopant. The co-doping of Na+ and PO43- not only enhances the high-rate performance (106.4 mAhg-1@10C) and capacity retention (93.8%@1C@100 cycles) but also mitigates the voltage decay owing to the synergistic effect of Na+ and PO43- co-doping. The synergistic mechanism is unraveled based on neutron diffraction, aberration-corrected scanning transmission electron microscope, X-ray photoelectron spectroscopy, ex-situ X-ray absorption spectra, ex-situ X-ray diffraction, electrochemical impedance spectroscopy and electrochemical measurements. The co-doping of Na+ and PO43- enlarges the interlayer spacing and suppresses Li/Ni mixing which increases Li+ diffusivity and enhances the rate capability. Meanwhile, the co-doping of Na+ and PO43- shrinks the thickness of the slabs, weakens the TM-O covalency and alleviates the volume change in the charge/discharge process which improves the layered structure stability and the cycling performances. This study presents some new insights into designing high performance cathode materials through a cooperative modulation of different crystal sites doping.

Efficient UV-emitting X-ray phosphors: octahedral Zr(PO 4) 6 luminescence centers in potassium hafnium-zirconium phosphates K 2Hf 1- xZr x(PO 4) 2 and KHf 2(1- x) Zr 2 x(PO 4) 3

NASA Astrophysics Data System (ADS)

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

2003-02-01

Potassium hafnium-zirconium phosphates, K 2Hf 1- xZr x(PO 4) 2 and KHf 2(1- x) Zr 2 x(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- xZr 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.

Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}

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

Kim, Sung-Chul; Kwak, Hyun-Jung; Yoo, Chung-Yul

2016-11-15

A new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}, was synthesized in the form of either a single-crystal or polycrystalline powder using the molten hydroxide flux method or a solid-state reaction, respectively. Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} crystallizes to the P2{sub 1}/n (Z=4) monoclinic space group with lattice parameters a≈4.95 Å, b≈22.06 Å, c≈8.63 Å, and β≈91.5°. The structure is composed of stacked [LiSrAl(PO{sub 4}){sub 2}] layers alternating regularly with [LiSrPO{sub 4}] layers. In the [LiSrAl(PO{sub 4}){sub 2}] sublattice, the AlO{sub 6} octahedra and PO{sub 4} tetrahedra are tilted cooperatively to form an anionic, corrugated, two-dimensional [Al(PO{sub 4}){sub 2}]{supmore » 3−} framework that can be regarded as a “distorted-glaserite” structure. The [LiSrPO{sub 4}] sublattice is that of a layered block containing a six-membered ring formed from alternating linkages of LiO{sub 4} and PO{sub 4} tetrahedra. The six-membered rings show a boat-type arrangement with the up(U) or down(D) pointing sequence, UUDUUD. The interspace between the two sublattices generates a two-dimensional pathway for Li{sup +} ion conduction. The impedance measurement indicated that Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} had a moderate ion conductivity (σ≈1.30×10{sup −4} S cm{sup −1} at 667 K), with an activation energy E{sub a}≈1.02 eV. - Graphical abstract: Polyhedral view of Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}. Li{sup +} ions are represented by green spheres, Sr atoms by white spheres, AlO{sub 6} groups by octahedra, and PO{sub 4} groups by tetrahedra. - Highlights: • New compound Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} is reported. • The crystal structure is investigated by single-crystal XRD analysis. • The structure is formed by the alternate stacking of two different sublattices. • Correlation between the crystal structure and ionic conductivity is discussed.« less

Crystal structure and ion conductivity of a new mixed-anion phosphate LiMg{sub 3}(PO{sub 4})P{sub 2}O{sub 7}

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

Kim, Sung-Chul; Lee, Mi-Sun; Kang, Jinyeong

2015-05-15

A new lithium-containing phosphate, LiMg{sub 3}(PO{sub 4})P{sub 2}O{sub 7}, was prepared by a solid-state reaction, and it was characterized by an ab initio structure determination method on the basis of synchrotron powder X-ray diffraction data. LiMg{sub 3}(PO{sub 4})P{sub 2}O{sub 7} was found to be orthorhombic (space group Pnma) with lattice parameters a=9.0387(1) Å, b=10.6072(1) Å, c=8.3065(1) Å, and V=796.39(1) Å{sup 3}. The structure features infinite [Mg{sub 3}O{sub 10}]{sub ∞} layers that are parallel to the bc plane and that are interconnected along the a axis by PO{sub 4} and P{sub 2}O{sub 7} groups. The [Mg{sub 3}O{sub 10}]{sub ∞} layer containsmore » Mg{sub 3}O{sub 14} trimers that are formed by three edge-shared MgO{sub 6} octahedra. The PO{sub 4} and P{sub 2}O{sub 7} groups are located alternatively between [Mg{sub 3}O{sub 10}]{sub ∞} layers. This gives rise to a three-dimensional framework that contains large tunnels along the directions [1 0 0] and [0 1 0]; the Li{sup +} ions are stabilized in these tunnels. AC impedance spectroscopy shows that LiMg{sub 3}(PO{sub 4})P{sub 2}O{sub 7} has an ionic conductivity of 3.40×10{sup −5} S cm{sup −1} at 769 K, with an activation energy of 1.17 eV. - Graphical abstract: Polyhedral view of LiMg3(PO4)P2O7. Li+ ions are represented by orange spheres, MgO6 groups by octahedra, and PO4 groups by tetrahedra. - Highlights: • New compound LiMg{sub 3}(PO{sub 4})P{sub 2}O{sub 7} is reported. • The crystal structure is investigated by synchrotron XRD analysis. • The structure features [Mg{sub 3}O{sub 10}]{sub ∞} layers with interconnecting PO{sub 4} and P{sub 2}O{sub 7} groups. • Correlation between the crystal structure and ionic conductivity is discussed.« less

The Legacy of NASA Astrophysics E/PO: Scientist Engagement and Higher Education

NASA Astrophysics Data System (ADS)

Manning, Jim; Smith, Denise A.; Meinke, Bonnie; Lawton, Brandon; Schulz, Gregory; Bartolone, Lindsay; Bianchi, Luciana; NASA SMD Astrophysics E/PO Community

2016-01-01

For the past six years, NASA's Science Mission Directorate has coordinated the work of its mission- and program-embedded education and public outreach (E/PO) efforts through four forums representing its four science divisions. The Astrophysics forum, as the others, has built on the long-standing mission E/PO 1% allocation and embedded scientist/educator partnerships to encourage and coordinate collaborative efforts to make the most efficient and effective use of NASA resources, personnel, data and discoveries in leveraged ways, in support of the nation's science education. Two of the priorities established early in the forum's period of activity were to enhance scientist engagement in E/PO and to coordinate the community in providing useful higher education resources based on determined needs. This presentation will highlight some of the achievements for these two priorities over the past six years, how the products and efforts are being preserved, and how they can continue to be accessed as NASA SMD transitions to a new Education and Communication landscape. The work constitutes an ongoing legacy--a firm foundation on which the new structure of NASA SMD Education efforts will go forward.

2017 Solar Eclipse in Hopkinsville, KY: E/PO Feedback from Two Venues

NASA Astrophysics Data System (ADS)

Dowling, Timothy E.; Consolmagno, Guy

2017-10-01

Hopkinsville, Kentucky was the largest town in the region of maximum totality for the 21 August 2017 Solar Eclipse, and transformed itself into “Eclipseville” with extensive media attention. Here we give 2 on-the-ground reports on education and public outreach (E/PO) activities from Hopkinsville. One of us (TD) partnered with the Kentucky Division of Emergency Management (KYEM) and was in the Hopkinsville VIP area, and the other (GC) led a series of E/PO events at the Hopkinsville Church of Ss. Peter & Paul, which were nationally advertised in diocesan newspapers. In addition, both of us were interviewed extensively by local and national media before the event. Pre-event planning by KYEM extended for over a year, and culminated in a 6-hour, 12 July 2017 Tabletop Exercise (TTX) run by FEMA. This face-to-face workshop drew over 250 participants, including Kentucky’s Lt. Governor, health and public safety officials at the state-level and from the 21 Kentucky counties in the path of totality, mayors and convention-bureau officials from the affected KY towns, the KY National Guard, the U.S. Depts. of Health and Human Services, Homeland Security, and Transportation, the National Weather Service, the U.S. Coast Guard for riverboat traffic, the U.S. Forest Service, the American Red Cross, representatives from ATT, Verizon and Sprint, and representatives from local universities—it was the largest TTX in Kentucky’s history. Here, we report on E/PO feedback we assembled from the VIP and parochial sites, including the most frequently asked questions, which types of answers seemed to be most effective, and how actual events compared with the large-crowd preparations and planning.

Improved electrochemical performances of LiSn2(PO4)3 anode material for lithium-ion battery prepared by solid-state method

NASA Astrophysics Data System (ADS)

Naren; Tian, Jianhua; Wang, Dongdong; Shan, Zhongqiang

2017-09-01

The rhombohedral LiSn2(PO4)3 was prepared by solid-state method for the anode material of lithium-ion battery. The effect of pH value of hydrothermal reaction system on the morphology of SnO2 as the precursor of LiSn2(PO4)3 and the influence of heat-treatment procedure and conditions, such as the sintering temperature and time, on the property of LiSn2(PO4)3 were investigated. The purity, morphology, structure and size distribution of prepared LiSn2(PO4)3 were characterized respectively by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM) and scanning electron microscopy (SEM) methods. The results demonstrate that the as-prepared LiSn2(PO4)3 particles exhibit rhombohedral single-crystal structure with an average particle size of 200 nm. The electrochemical measurement results reveal that the as-prepared LiSn2(PO4)3/C electrode exhibits the improved cycling stability and reversibility with a reversible discharge capacity of 448.6 mA h g-1 at 100 mA g-1 and better rate capability of 332.6 mA h g-1 at 500 mA g-1. The charge-discharge mechanism of LiSn2(PO4)3/C electrode was also investigated. According to the test results of cyclic voltammetry, the electrode process includes not only the intercalation and deintercalation of lithium ions in the LiSn2(PO4)3 particles, but also the surface pseudo-capacitive effect.

Interdependence of arterial PO2 and O2 consumption in the fetal sheep.

PubMed

Asakura, H; Ball, K T; Power, G G

1990-04-01

These experiments were undertaken to measure the effects of changing arterial oxygen tension (PaO2) on oxygen use by the fetal body (VO2). Six fetal sheep at 130-140 days gestation were prepared with an endotracheal tube, carotid artery catheter, body-core thermistor, cooling coil and loosely-applied umbilical cord snare. The next day the cord was occluded and the fetal lungs were ventilated with gas mixtures containing different concentrations of oxygen. While fetal core temperature was kept constant, fetal arterial PO2 was cycled between high and low values (span = 7 to 359 mmHg, n = 103) and O2 consumption was measured by the rate of O2 uptake from a closed-rebreathing circuit. VO2 changed directly with changes in PO2 from 10 to 40 mmHg but became insensitive to changes in PO2 above about 50 mmHg. The results were well described over the entire range by the equation: VO2 (ml/min per kg fetal wt) = -9.62 + 6.99 ln PO2(mmHg)-0.66 ln2 PO2. Thus the oxygen consumption of the near-term fetal sheep varies with changes in arterial PO2 in the physiologic range. This finding is distinctly different than the adult at rest but resembles adult tissues such as exercising muscle at VO2max. This finding is consistent with differences in fetal metabolic controls, limited cardiac reserve, and limited tissue diffusion rates in actively metabolizing tissues.

Stability phase diagram of a perpendicular magnetic tunnel junction in noncollinear geometry

NASA Astrophysics Data System (ADS)

Strelkov, N.; Timopheev, A.; Sousa, R. C.; Chshiev, M.; Buda-Prejbeanu, L. D.; Dieny, B.

2017-05-01

Experimental measurements performed on MgO-based perpendicular magnetic tunnel junctions show a strong dependence of the stability voltage-field diagrams as a function of the direction of the magnetic field with respect to the plane of the sample. When the magnetic field is applied in-plane, systematic nonlinear phase boundaries are observed for various lateral sizes. The simulation results based on the phenomenological Landau-Lifshitz-Gilbert equation including the in-plane and out-of-plane spin transfer torques are consistent with the measurements if a second-order anisotropy contribution is considered. Furthermore, performing the stability analysis in linear approximation allowed us to analytically extract the critical switching voltage at zero temperature in the presence of an in-plane field. This study indicates that in the noncollinear geometry investigations are suitable to detect the presence of the second-order term in the anisotropy. Such higher order anisotropy term can yield an easy-cone anisotropy which reduces the thermal stability factor but allows for more reproducible spin transfer torque switching due to a reduced stochasticity of the switching. As a result, the energy per write event decreases much faster than the thermal stability factor as the second-order anisotropy becomes more negative. Easy-cone anisotropy can be useful for fast-switching spin transfer torque magnetic random access memories provided the thermal stability can be maintained above the required value for a given memory specification.

LiFePO4 Nanostructures Fabricated from Iron(III) Phosphate (FePO4 x 2H2O) by Hydrothermal Method.

PubMed

Saji, Viswanathan S; Song, Hyun-Kon

2015-01-01

Electrode materials having nanometer scale dimensions are expected to have property enhancements due to enhanced surface area and mass/charge transport kinetics. This is particularly relevant to intrinsically low electronically conductive materials such as lithium iron phosphate (LiFePO4), which is of recent research interest as a high performance intercalation electrode material for Li-ion batteries. Many of the reported works on LiFePO4 synthesis are unattractive either due to the high cost of raw materials or due to the complex synthesis technique. In this direction, synthesis of LiFePO4 directly from inexpensive FePO4 shows promise.The present study reports LiFePO4 nanostructures prepared from iron (III) phosphate (FePO4 x 2H2O) by precipitation-hydrothermal method. The sintered powder was characterized by X-ray diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), Inductive coupled plasma-optical emission spectroscopy (ICP-OES), and Electron microscopy (SEM and TEM). Two synthesis methods, viz. bulk synthesis and anodized aluminum oxide (AAO) template-assisted synthesis are reported. By bulk synthesis, micro-sized particles having peculiar surface nanostructuring were formed at precipitation pH of 6.0 to 7.5 whereas typical nanosized LiFePO4 resulted at pH ≥ 8.0. An in-situ precipitation strategy inside the pores of AAO utilizing the spin coating was utilized for the AAO-template-assisted synthesis. The template with pores filled with the precipitate was subsequently subjected to hydrothermal process and high temperature sintering to fabricate compact rod-like structures.

Biogeochemical factors affecting the presence of 210Po in groundwater

USGS Publications Warehouse

Seiler, R.L.; Stillings, L.L.; Cutler, N.; Salonen, L.; Outola, I.

2011-01-01

The discovery of natural 210Po enrichment at levels exceeding 500 mBq/L in numerous domestic wells in northern Nevada, USA, led to a geochemical investigation of the processes responsible for its mobilization. 210Po activities in 63 domestic and public-supply wells ranged from below 1 mBq/L to 6590 ± 590 mBq/L, among the highest reported levels in the USA. There is little spatial or depth variability in 210Pb activity in study-area sediments and mobilization of a few percent of the 210Po in the sediments would account for all of the 210Po in water. Stable-isotope measurements indicate SO4 reduction has occurred in all 210Po contaminated wells. Sulfide species are not accumulating in the groundwater in much of Lahontan Valley, probably because of S cycling involving microbial SO4 reduction, abiotic oxidation of H2S to S0 by Mn(IV), followed by microbial disproportionation of S0 to H2S and SO4. The high pH, Ca depletion, MnCO3 saturation, and presence of S0 in Lahontan Valley groundwater may be consequences of the anaerobic S cycling. Consistent with data from naturally-enriched wells in Florida, 210Po activities begin to decrease when aqueous sulfide species begin to accumulate. This may be due to formation and precipitation of PoS, however, Eh–pH diagrams suggest PoS would not be stable in study-area groundwater. An alternative explanation for the study area is that H2S accumulation begins when anaerobic S cycling stops because Mn oxides are depleted and their reduction is no longer releasing 210Po. Common features of 210Po-enriched groundwater were identified by comparing the radiological and geochemical data from Nevada with data from naturally-enriched wells in Finland, and Florida and Maryland in the USA. Values of pH ranged from 9 in Nevada wells, indicating that pH is not critical in determining whether 210Po is present. Where U is present in the sediments, the data suggest 210Po levels may be elevated in aquifers with (1) SO4-reducing waters with low H2S

Multi-heteroatom doped carbon coated Na3V2(PO4)3 derived from ionic liquids.

PubMed

Zhang, Lu-Lu; Zhou, Ying-Xian; Li, Tao; Ma, Di; Yang, Xue-Lin

2018-03-28

Multi-heteroatom (N, S and F) doped carbon coated Na 3 V 2 (PO 4 ) 3 (labeled as NVP/C-ILs) derived from an ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM]TF2N) has been successfully fabricated. The as-prepared Na 3 V 2 (PO 4 ) 3 particles are well dispersed and closely coated with a multi-heteroatom (N, S and F) doped carbon layer. As a cathode for sodium-ion batteries, the NVP/C-ILs electrode exhibits high reversible specific capacity (117.5 mA h g -1 at 1C), superior rate performance (93.4 mA h g -1 at 10C) and excellent cycling stability (∼95% capacity retention ratio at 10C over 1000 cycles). The impressive electrochemical performance of NVP/C-ILs can be attributed to effectively conductive networks for electrons and Na + ions induced by a joint effect of N, S and F doping on carbon. The use of multi-heteroatom doped carbon coated Na 3 V 2 (PO 4 ) 3 provides a facile and effective strategy for the fabrication of high performance electrode materials with low intrinsic electrical conductivity.

Color-tunable photoluminescence and energy transfer properties of single-phase Ba{sub 10}(PO{sub 4}){sub 6}O:Eu{sup 2+}, Mn{sup 2+} phosphors

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

Guo, Qingfeng; Liao, Libing, E-mail: clayl@cugb.edu.cn; Mei, Lefu, E-mail: mlf@cugb.edu.cn

2015-12-15

Single-phase Ba{sub 10−x−y}(PO{sub 4}){sub 6}O:xEu{sup 2+},yMn{sup 2+} samples with apatite structure have been synthesized via a solid-state reaction method. The phase structure, luminescence properties, lifetime, PL thermal stability, as well as fluorescence decay curves of the samples were investigated. Effective energy transfer occurs from Eu{sup 2+} to Mn{sup 2+} in Ba{sub 10}(PO{sub 4}){sub 6}O and a possible mechanism of the energy-transfer from Eu{sup 2+} to Mn{sup 2+} is proposed. The critical distances R{sub c} was calculated by concentration quenching and turned out to be about 0.817 nm (x{sub c}=0.21). The CIE and thermally stable luminescence behaviors of Ba{sub 9.94}(PO{sub 4}){submore » 6}O:0.06Eu{sup 2+} phosphor were also studied in detail. All the results indicate that Ba{sub 10−x−y}(PO{sub 4}){sub 6}O:xEu{sup 2+}, yMn{sup 2+} phosphors have potential applications as near UV-convertible phosphors for white light-emitting diodes. - Graphical abstract: Crystal structure and luminescence property of Ba{sub 10−x−y}(PO{sub 4}){sub 6}O:xEu{sup 2+},yMn{sup 2+} have been discussed. - Highlights: • Ba{sub 10−x−y}(PO{sub 4}){sub 6}O:xEu{sup 2+},yMn{sup 2+} was firstly reported. • Ba{sub 9.94}(PO{sub 4}){sub 6}O:0.06Eu{sup 2+} exhibits high thermal quenching resistance. • The energy transfer between Eu{sup 2+} and Mn{sup 2+} was investigated.« less

Incorporation of thorium in the rhabdophane structure: Synthesis and characterization of Pr1-2xCaxThxPO4·nH2O solid solutions

NASA Astrophysics Data System (ADS)

Qin, Danwen; Mesbah, Adel; Gausse, Clémence; Szenknect, Stéphanie; Dacheux, Nicolas; Clavier, Nicolas

2017-08-01

Thorium incorporation in the rhabdophane structure as Pr1-2xCaxThxPO4·nH2O solid solutions was successfully achieved and resulted in the preparation of a low temperature precursor of the monazite-cheralite type Pr1-2xCaxThxPO4. The rhabdophane compounds are considered as potential neoformed phases in case of release of actinides from the phosphate-based ceramic wasteforms envisaged to host radionuclides in the back-end of the nuclear fuel cycle. A multiparametric study was thus undertaken to specify the wet chemistry conditions (starting stoichiometry, temperature, heating time) leading to single phase Pr1-2xCaxThxPO4·nH2O powdered samples. The excess of calcium appeared to be a prevailing factor with a suggested initial Ca:Th ratio being equal to 10. Similarly, the recommended heating time should exceed 4 days while the optimal temperature of synthesis is 110 °C. Under these conditions, the stability domain of Pr1-2xCaxThxPO4·nH2O ranged from x = 0.00 to x = 0.15. After heating at 1100 °C under air during 6 h, rhabdophane-type samples were fully converted into the highly durable Pr1-2xCaxThxPO4 cheralite ceramic wasteform.

Three new d10 transition metal selenites containing PO4 tetrahedron: Cd7(HPO4)2(PO4)2(SeO3)2, Cd6(PO4)1.34(SeO3)4.66 and Zn3(HPO4)(SeO3)2(H2O)

NASA Astrophysics Data System (ADS)

Ma, Yun-Xiang; Gong, Ya-Ping; Hu, Chun-li; Mao, Jiang-Gao; Kong, Fang

2018-06-01

Three new d10 transition metal selenites containing PO4 tetrahedron, namely, Cd7(HPO4)2(PO4)2(SeO3)2 (1), Cd6(PO4)1.34(SeO3)4.66 (2) and Zn3(HPO4)(SeO3)2(H2O) (3), have been synthesized by hydrothermal reaction. They feature three different structural types. Compound 1 exhibits a novel 3D network composed of 3D cadmium selenite open framework with phosphate groups filled in the 1D helical tunnels. The structure of compound 2 displays a new 3D framework consisted of 2D cadmium oxide layers bridged by SeO3 and PO4 groups. Compound 3 is isostructural with the reported solids of Co3(SeO3)3-x(PO3OH)x(H2O) when x is equal to 1.0. Its structure could be viewed as a 3D zinc oxide open skeleton with SeO3 and HPO4 polyhedra attached on the wall of the tunnels. They represent the only examples in metal selenite phosphates in addition to the above cobalt compounds. Optical diffuse reflectance spectra revealed that these solids are insulators, which are consistent with the results of band structure computations based on DFT algorithm.

Hall-plot of the phase diagram for Ba(Fe1-xCox)2As2

NASA Astrophysics Data System (ADS)

Iida, Kazumasa; Grinenko, Vadim; Kurth, Fritz; Ichinose, Ataru; Tsukada, Ichiro; Ahrens, Eike; Pukenas, Aurimas; Chekhonin, Paul; Skrotzki, Werner; Teresiak, Angelika; Hühne, Ruben; Aswartham, Saicharan; Wurmehl, Sabine; Mönch, Ingolf; Erbe, Manuela; Hänisch, Jens; Holzapfel, Bernhard; Drechsler, Stefan-Ludwig; Efremov, Dmitri V.

2016-06-01

The Hall effect is a powerful tool for investigating carrier type and density. For single-band materials, the Hall coefficient is traditionally expressed simply by , where e is the charge of the carrier, and n is the concentration. However, it is well known that in the critical region near a quantum phase transition, as it was demonstrated for cuprates and heavy fermions, the Hall coefficient exhibits strong temperature and doping dependencies, which can not be described by such a simple expression, and the interpretation of the Hall coefficient for Fe-based superconductors is also problematic. Here, we investigate thin films of Ba(Fe1-xCox)2As2 with compressive and tensile in-plane strain in a wide range of Co doping. Such in-plane strain changes the band structure of the compounds, resulting in various shifts of the whole phase diagram as a function of Co doping. We show that the resultant phase diagrams for different strain states can be mapped onto a single phase diagram with the Hall number. This universal plot is attributed to the critical fluctuations in multiband systems near the antiferromagnetic transition, which may suggest a direct link between magnetic and superconducting properties in the BaFe2As2 system.

Study on the Visible-Light Photocatalytic Performance and Degradation Mechanism of Diclofenac Sodium under the System of Hetero-Structural CuBi2O4/Ag3PO4 with H2O2

PubMed Central

Chen, Xiaojuan; Li, Ning; Xu, Song; Cai, Yumin

2018-01-01

Two kinds of CuBi2O4/Ag3PO4 with different heterojunction structures were prepared based on the combination of hydrothermal and in-situ precipitation methods with surfactant additives (sodium citrate and sodium stearate), and their characteristics were systematically resolved by X-ray Diffraction (XRD), Brunauer–Emmett–Teller (BET), X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscope (SEM)/ High-resolution Transmission Electron Microscopy (HRTEM), UV-vis Diffuse Reflectance Spectra (DRS) and Photoluminescence (PL). Meanwhile, the photocatalytic properties of the catalysts were determined for diclofenac sodium (DS) degradation and the photocatalytic mechanism was also explored. The results indicate that both of the two kinds of CuBi2O4/Ag3PO4 exhibit higher photocatalytic efficiency, mineralization rate, and stability than that of pure CuBi2O4 or Ag3PO4. Moreover, the catalytic activity of CuBi2O4/Ag3PO4 can be further enhanced by adding H2O2. The free radical capture experiments show that in the pure CuBi2O4/Ag3PO4 photocatalytic system, the OH• and O2•− are the main species participating in DS degradation; however, in the CuBi2O4/Ag3PO4 photocatalytic system with H2O2, all OH•, h+, and O2•− take part in the DS degradation, and the contribution order is OH• > h+ > O2•−. Accordingly, the photocatalytic mechanism of CuBi2O4/Ag3PO4 could be explained by the Z-Scheme theory, while the catalysis of CuBi2O4/Ag3PO4 with H2O2 follows the heterojunction energy band theory. PMID:29597267

Structural and spectral properties of undoped and tungsten doped Zn3(PO4)2ZnO nanopowders

NASA Astrophysics Data System (ADS)

Satyavathi, K.; Subba Rao, M.; Nagabhaskararao, Y.; Cole, Sandhya

2018-01-01

Pure and tungsten doped Zn3(PO4)2ZnO nanopowders (NPs) are prepared using sol-gel method. It has the longest track record of used in dentistry. It is used for cementation of inlays, crowns and orthodontic appliances. The systematic investigations like X-ray Diffraction (XRD), Scanning electron microscope (SEM) with energy dispersive X-ray (EDX) spectroscope, Transmission electron microscope (TEM), Fourier transform infrared (FT-IR) spectroscopy, Optical absorption, Photoluminescence (PL) and Electron Paramagnetic Resonance (EPR) spectroscopic techniques are carried out for the prepared NPs. XRD pattern reveals that the prepared samples are in crystalline nature in which Zn3(PO4)2 corresponding to monoclinic phase and ZnO corresponding to hexagonal wurtzite phase, the average crystallite size of prepared nanopowders is in the range of 20-30 nm. The lattice strain, lattice cell parameters, unit cell volume and dislocation density of the prepared NPs are also calculated. The morphology of the prepared NPs is analyzed with SEM and TEM images. The distribution of Zn, P, O and W species in the prepared samples are identified by the chemical composition mapping through EDX. IR spectra of prepared samples exhibit the characteristic sharp absorption band peaks. The sharp absorption bands observed in the region 1200-900 cm-1 are due to complex stretching of characteristic PO43- groups. The absorption spectra exhibit a broad band around 696 nm is recognized due to 2B2g → 2B1g (dxy → dx2- y2) transition of tungsten ions. The PL spectra exhibit four emission peaks in the visible region indicating the quantum-confinement-induced photoluminescence. The CIE chromaticity diagram suggests that the prepared NPs have good color purity. The EPR spectra indicate that the W5+ ions occupy octahedral site symmetry in the host lattice.

Experimental ammonia-free phosphate-bonded investments using Mg(H2PO4)2.

PubMed

Zhang, Z; Tamaki, Y; Miyazaki, T

2001-12-01

In previous study, we found that Mg(H2PO4)2 instead of NH4H2PO4 was available as a binder material for phosphate-bonded investments and possibly could be used to develop the phosphate-bonded investment without ammonia gas release. The purpose of the present study was to develop the experimental ammonia-free phosphate-bonded investments by investigating suitable refractories. Mg(H2PO4)2.nH2O and MgO were prepared as a binder. Cristobalite and quartz were selected as refractories. The power ratio of MgO/Mg(H2PO4)2.nH2O was set constant at 1.2 according to our previous findings. Fundamental properties of dental investment such as strength, manipulation and expansion were evaluated. Using cristobalite as the refractory material, further investigations were performed. The refractory/binder ratio was definitely effective. The increase of this ratio led to low mold strength and large mold expansion. The present findings suggested that C5 was desirable for dental investment.

Synthesis and characterization of Silica/polyvinyl imidazole/H2PO4-core-shell nanoparticles as recyclable adsorbent for efficient scavenging of Sm(III) and Dy(III) from water.

PubMed

Ettehadi Gargari, Jafar; Sid Kalal, Hossein; Shakeri, Alireza; Khanchi, Alireza

2017-11-01

In this study, we used Silica/polyvinyl imidazole core-shell nanoparticles impregnated with sodium dihydrogen phosphate (SiO 2 /PVI/H 2 PO 4 - NPs) for adsorption of samarium and dysprosium ions from aqueous solutions. The effects of the pH, adsorbent dose, contact time, and initial concentration of the adsorbate on the Core-shell nanoparticles adsorption capacity have been studied. The pH value for maximum removal of Sm (III) and Dy (III) on the core-shell nanoparticles surface were found to be 4. The saturated capacity of SiO 2 /PVI/H 2 PO 4 - NPs was up to 160mg.g -1 and 150mg.g -1 at 25°C for Sm (III) and Dy (III) ions respectively. The obtained uptake data were analyzed by the Langmuir and Freundlich equations using a linearized correlation coefficient at room temperature. The Freundlich isotherm was found to fit well with the equilibrium data. The adsorption kinetics could be modeled by a pseudo-second-order rate expression. Thermodynamic investigation revealed the adsorption process of the studied ions is entropy driven. Furthermore, the performance of regeneration and reutilization were studied. The adsorbed Sm (III) and Dy (III) can be desorbed by 0.5mol/L HCl, with the desorption percentage of 90% for Sm (III) and Dy (III). After five adsorption-desorption cycles, the adsorption capacity shows a slight decrease (about 15%), implying that the SiO 2 /PVI/H 2 PO 4 - NPs can be used as an effective adsorbent for the removal and recovery of Sm(III) and Dy(III) from aqueous solution. The colloid stability of the SiO 2 /PVI/H 2 PO 4 - NPs was investigated by dynamic light scattering measurements. The SiO 2 /PVI/H 2 PO 4 - NPs are stable in adsorption media after five adsorption - desorption cycles. The high stability of SiO 2 /PVI/H 2 PO 4 - NPs can be attributed to steric stabilization by polyvinyl imidazole adsorbed on SiO 2 nanoparticle surfaces. Copyright © 2017 Elsevier Inc. All rights reserved.

A novel blue-greenish emitting phosphor Ba{sub 3}LaK(PO{sub 4}){sub 3}F:Tb{sup 3+} with high thermal stability

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

Zeng, Chao; Huang, Hongwei, E-mail: hhw@cugb.edu.cn; Hu, Yingmo, E-mail: huyingmo@cugb.edu.cn

Highlights: • The Ba{sub 3}LaK(PO{sub 4}){sub 3}F:Tb{sup 3+} phosphors exhibit a broad excitation band. • The Ba{sub 3}LaK(PO{sub 4}){sub 3}F:Tb{sup 3+} emission color adjust from blue to green. • The Ba{sub 3}LaK(PO{sub 4}){sub 3}F:Tb{sup 3+} show superior thermal stability. - Abstract: Ba{sub 3}La{sub 1−m}K(PO{sub 4}){sub 3}F:mTb{sup 3+}(m = 0.01–0.50) phosphors have been prepared by a traditional high temperature solid-state reaction. XRD analysis verified the apatite-type phase structure of the as-prepared samples, and the morphology has been checked by the Scanning electron microscope (SEM). The emission spectrum of Ba{sub 3}LaK(PO{sub 4}){sub 3}F:Tb{sup 3+} phosphor consists of two regions, blue emission bandmore » from 380 to 470 nm and green emission band from 470 to 650 nm. With increasing Tb{sup 3+} ions doped concentration (m), the color hue of Ba{sub 3}La{sub 1−m}K(PO{sub 4}){sub 3}F:mTb{sup 3+}adjusts from blue to green. On the basis of concentration quenching method, the critical distance between Tb{sup 3+} ions is calculated to be 7.98 Å, suggesting that multipolar interaction predominate in quenching process. In addition, the temperature-dependence PL spectra of Ba{sub 3}LaK(PO{sub 4}){sub 3}F:0.01Tb{sup 3+} and Ba{sub 3}LaK(PO{sub 4}){sub 3}F:0.40Tb{sup 3+} phosphor are given,which exhibit superior thermal stability.« less

Mesoporous carbon-coated LiFePO4 nanocrystals co-modified with graphene and Mg2+ doping as superior cathode materials for lithium ion batteries.

PubMed

Wang, Bo; Xu, Binghui; Liu, Tiefeng; Liu, Peng; Guo, Chenfeng; Wang, Shuo; Wang, Qiuming; Xiong, Zhigang; Wang, Dianlong; Zhao, X S

2014-01-21

In this work, mesoporous carbon-coated LiFePO4 nanocrystals further co-modified with graphene and Mg(2+) doping (G/LFMP) were synthesized by a modified rheological phase method to improve the speed of lithium storage as well as cycling stability. The mesoporous structure of LiFePO4 nanocrystals was designed and realized by introducing the bead milling technique, which assisted in forming sucrose-pyrolytic carbon nanoparticles as the template for generating mesopores. For comparison purposes, samples modified only with graphene (G/LFP) or Mg(2+) doping (LFMP) as well as pure LiFePO4 (LFP) were also prepared and investigated. Microscopic observation and nitrogen sorption analysis have revealed the mesoporous morphologies of the as-prepared composites. X-ray diffraction (XRD) and Rietveld refinement data demonstrated that the Mg-doped LiFePO4 is a single olivine-type phase and well crystallized with shortened Fe-O and P-O bonds and a lengthened Li-O bond, resulting in an enhanced Li(+) diffusion velocity. Electrochemical properties have also been investigated after assembling coin cells with the as-prepared composites as the cathode active materials. Remarkably, the G/LFMP composite has exhibited the best electrochemical properties, including fast lithium storage performance and excellent cycle stability. That is because the modification of graphene provided active sites for nuclei, restricted the in situ crystallite growth, increased the electronic conductivity and reduced the interface reaction current density, while, Mg(2+) doping improved the intrinsically electronic and ionic transfer properties of LFP crystals. Moreover, in the G/LFMP composite, the graphene component plays the role of "cushion" as it could quickly realize capacity response, buffering the impact to LFMP under the conditions of high-rate charging or discharging, which results in a pre-eminent rate capability and cycling stability.

Theoretical investigation of thermodynamic stability and mobility of the oxygen vacancy in ThO 2 –UO 2 solid solutions

DOE PAGES

Liu, B.; Aidhy, D. S.; Zhang, Y.; ...

2014-10-16

The thermodynamic stability and the migration energy barriers of oxygen vacancies in ThO 2 –UO 2 solid solutions are investigated by density functional theory calculations. In pure ThO 2, the formation energy of oxygen vacancy is 7.58 eV and 1.46 eV under O rich and O poor conditions, respectively, while its migration energy barrier is 1.97 eV. The addition of UO 2 into ThO 2 significantly decreases the energetics of formation and migration of the oxygen vacancy. Among the range of UO 2-ThO 2 solid solutions studied in this work, UO 2 exhibits the lowest formation energy (5.99 eV andmore » -0.13 eV under O rich and O poor conditions, respectively) and Th 0.25U0 .75O 2 exhibits the lowest migration energy barrier (~ 1 eV). Moreover, by considering chemical potential, the phase diagram of oxygen vacancy as a function of both temperature and oxygen partial pressure is shown, which could help to gain experimental control over oxygen vacancy concentration.« less

[Thermodynamics of drug polymorphism: domains and stability hierarchy by pressure temperature diagram. Application to the tetramorphism of fananserine].

PubMed

Toscani, S

2002-05-01

In this communication, an application of classical thermodynamics to crystalline solid state polymorphism is shown to allow stability p, T domains and stability hierarchy among crystalline phases of a polymorph to be defined by constructing the unary p, T phase diagram. The three topological rules upon which this construction is founded are presented; the first one is a straight consequence of the least vapour pressure criterion by Ostwald. Calculation of triple point co-ordinates and of two-phase equilibrium curves is based upon using both thermodynamic and crystallographic data obtained at ordinary pressure. Clapeyron equation allows the slopes of the straight lines representing equilibria between condensed phases to be calculated and, hence, triple points situated at high or negative pressure to be determined. On the other hand, the hierarchy among the thermodynamic stability degrees of the crystalline varieties may be inferred from the location of the sublimation curves, by merely acknowledging inequalities among vapour pressures at each temperature on the whole T-range. These building-up processes are pointed out by outlining the achievement of a phase diagram related to the tetramorphism of fananserine, an anxiolytic drug. Three out four crystalline forms, namely phases II, III and IV, possess their own stability domain, although those belonging to phases II and III are limited at high pressure by that of phase IV. Conversely, phase I is overall metastable and exhibits a whole monotropic behaviour.

KMg0.09Fe1.91(PO4)2

PubMed Central

Yatskin, Michael M.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.

2012-01-01

KMg0.09Fe1.91(PO4)2, potassium [iron(II)/magnesium] iron(III) bis(orthophosphate), is a solid solution derived from compounds with general formula KM IIFe(PO4)2 (M II = Fe, Cu), in which the Mg atoms substitute Fe atoms only in the octa­hedrally surrounded sites. The framework of the structure is built up from [FeO5] trigonal bipyramids and [MO6] (M = (Fe, Mg) octa­hedra sharing corners and edges and connected by two types of bridging PO4 tetra­hedra. The K+ cations are nine-coordinated and are situated in channels running along [101]. PMID:22719280

E2F1 and E2F2 induction in response to DNA damage preserves genomic stability in neuronal cells.

PubMed

Castillo, Daniela S; Campalans, Anna; Belluscio, Laura M; Carcagno, Abel L; Radicella, J Pablo; Cánepa, Eduardo T; Pregi, Nicolás

2015-01-01

E2F transcription factors regulate a wide range of biological processes, including the cellular response to DNA damage. In the present study, we examined whether E2F family members are transcriptionally induced following treatment with several genotoxic agents, and have a role on the cell DNA damage response. We show a novel mechanism, conserved among diverse species, in which E2F1 and E2F2, the latter specifically in neuronal cells, are transcriptionally induced after DNA damage. This upregulation leads to increased E2F1 and E2F2 protein levels as a consequence of de novo protein synthesis. Ectopic expression of these E2Fs in neuronal cells reduces the level of DNA damage following genotoxic treatment, while ablation of E2F1 and E2F2 leads to the accumulation of DNA lesions and increased apoptotic response. Cell viability and DNA repair capability in response to DNA damage induction are also reduced by the E2F1 and E2F2 deficiencies. Finally, E2F1 and E2F2 accumulate at sites of oxidative and UV-induced DNA damage, and interact with γH2AX DNA repair factor. As previously reported for E2F1, E2F2 promotes Rad51 foci formation, interacts with GCN5 acetyltransferase and induces histone acetylation following genotoxic insult. The results presented here unveil a new mechanism involving E2F1 and E2F2 in the maintenance of genomic stability in response to DNA damage in neuronal cells.

E2F1 and E2F2 induction in response to DNA damage preserves genomic stability in neuronal cells

PubMed Central

Castillo, Daniela S; Campalans, Anna; Belluscio, Laura M; Carcagno, Abel L; Radicella, J Pablo; Cánepa, Eduardo T; Pregi, Nicolás

2015-01-01

E2F transcription factors regulate a wide range of biological processes, including the cellular response to DNA damage. In the present study, we examined whether E2F family members are transcriptionally induced following treatment with several genotoxic agents, and have a role on the cell DNA damage response. We show a novel mechanism, conserved among diverse species, in which E2F1 and E2F2, the latter specifically in neuronal cells, are transcriptionally induced after DNA damage. This upregulation leads to increased E2F1 and E2F2 protein levels as a consequence of de novo protein synthesis. Ectopic expression of these E2Fs in neuronal cells reduces the level of DNA damage following genotoxic treatment, while ablation of E2F1 and E2F2 leads to the accumulation of DNA lesions and increased apoptotic response. Cell viability and DNA repair capability in response to DNA damage induction are also reduced by the E2F1 and E2F2 deficiencies. Finally, E2F1 and E2F2 accumulate at sites of oxidative and UV-induced DNA damage, and interact with γH2AX DNA repair factor. As previously reported for E2F1, E2F2 promotes Rad51 foci formation, interacts with GCN5 acetyltransferase and induces histone acetylation following genotoxic insult. The results presented here unveil a new mechanism involving E2F1 and E2F2 in the maintenance of genomic stability in response to DNA damage in neuronal cells. PMID:25892555

The SDO Education and Outreach (E/PO) Program: Changing Perceptions One Program at a Time

NASA Technical Reports Server (NTRS)

Drobnes, E.; Littleton, A.; Pesnell, W. D.; Buhr, S.; Beck, K.; Durscher, R.; Hill, S.; McCaffrey, M.; McKenzie, D. E.; Myers, D.;

A new method for the preparation of a [Sn2(H2PO2)3]Br SHG-active polar crystal via surfactant-induced strategy.

PubMed

Xie, Jie-Ling; Zhou, Yu-Hua; Li, Long-Hua; Zhang, Jian-Han; Song, Jun-Ling

2017-07-25

Herein, unprecedented NLO-brominated tin hypophosphites, namely [Sn 2 (H 2 PO 2 ) 3 ]Br, were discovered via a facile surfactant-induced method, which displayed a moderate powder SHG intensity (3.0 × KDP) in type - I phase matching behavior. This complex has high chemical and thermal stability at room temperature. DFT calculations and SHG coefficient analyses revealed that the alignment of the SHG-active-units SnO 3 trigonal pyramids and Br - anions in its structure mainly contribute to the macroscopical SHG behaviors.

Silica-modified luminescent LaPO4 :Eu@LaPO4 @SiO2 core/shell nanorods: Synthesis, structural and luminescent properties.

PubMed

Ansari, Anees A

2018-02-01

Monoclinic-type tetragonal LaPO 4 :Eu (core) and LaPO 4 :Eu@LaPO 4 (core/shell) nanorods (NRs) were successfully prepared using a urea-based co-precipitation process under ambient conditions. An amorphous silica layer was coated around the luminescent core/shell NRs via the sol-gel process to improve their solubility and colloidal stability in aqueous and non-aqueous media. The prepared nano-products were systematically characterized by X-ray diffraction pattern, transmission electron microscopy, energy dispersive X-ray analysis, and FTIR, UV/Vis, and photoluminescence spectroscopy to examine their phase purity, crystal phase, surface chemistry, solubility and luminescence characteristics. The length and diameter of the nano-products were in the range 80-120 nm and 10-15 nm, respectively. High solubility of the silica-modified core/shell/Si NRs was found for the aqueous medium. The luminescent core NRs exhibited characteristic excitation and emission transitions in the visible region that were greatly affected by surface growth of insulating LaPO 4 and silica layers due to the multiphonon relaxation rate. Our luminescence spectral results clearly show a distinct difference in intensities for core, core/shell, and core/shell/Si NRs. Highly luminescent NRs with good solubility could be useful candidates for a variety of photonic-based biomedical applications. Copyright © 2017 John Wiley & Sons, Ltd.

Characteristics of the Li+-Ion Conductivity of Li3R2(PO4)3 Crystals (R = Fe, Sc) in the Superionic State

NASA Astrophysics Data System (ADS)

Sorokin, N. I.

2018-05-01

The characteristics of Li+-ion conductivity σdc of structural γ modifications of Li3R2(PO4)3 compounds (R = Fe, Sc) existing in the superionic state have been investigated by impedance spectroscopy. The type of structural framework [R2P3O12]∞ 3- affects the σdc value and the σdc activation enthalpy in these compounds. The ion transport activation enthalpy in γ-Li3R2(PO4)3 (Δ H σ = 0.31 ± 0.03 eV) is lower than in γ-Li3Fe2(PO4)3 (Δ H σ = 0.36 ± 0.03 eV). The conductivity of γ-Li3Fe2(PO4)3 (σdc = 0.02 S/cm at 573 K) is twice as high as that of γ-Li3R2(PO4)3. A decrease in temperature causes a structural transformation of Li3R2(PO4)3 from the superionic γ modification (space group Pcan) through the intermediate metastable β modification (space group P21/ n) into the "dielectric" α modification (space group P21/ n). Upon cooling, σdc for both phosphates decreases by a factor of about 100 at the superionic TSIC transition. In Li3Fe2(PO4)3 σdc gradually decreases in the temperature range T SIC = 430-540 K, whereas in Li3R2(PO4)3 σdc undergoes a jump at T SIC = 540 ± 25 K. Possible crystallochemical factors responsible for the difference in the σdc and Δ H σ values and the thermodynamics and kinetics of the superionic transition for Li3R2(PO4)3 are discussed.

21 CFR 862.1120 - Blood gases (PCO2, PO2) and blood pH test system.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Blood gases (PCO2, PO2) and blood pH test system... Test Systems § 862.1120 Blood gases (PCO2, PO2) and blood pH test system. (a) Identification. A blood gases (PCO2, PO2) and blood pH test system is a device intended to measure certain gases in blood, serum...

The Problem of Labels in E-Assessment of Diagrams

ERIC Educational Resources Information Center

Jayal, Ambikesh; Shepperd, Martin

2009-01-01

In this article we explore a problematic aspect of automated assessment of diagrams. Diagrams have partial and sometimes inconsistent semantics. Typically much of the meaning of a diagram resides in the labels; however, the choice of labeling is largely unrestricted. This means a correct solution may utilize differing yet semantically equivalent…

Thermal Stability and Reactivity of Cathode Materials for Li-Ion Batteries.

PubMed

Huang, Yiqing; Lin, Yuh-Chieh; Jenkins, David M; Chernova, Natasha A; Chung, Youngmin; Radhakrishnan, Balachandran; Chu, Iek-Heng; Fang, Jin; Wang, Qi; Omenya, Fredrick; Ong, Shyue Ping; Whittingham, M Stanley

2016-03-23

The thermal stability of electrochemically delithiated Li0.1Ni0.8Co0.15Al0.05O2 (NCA), FePO4 (FP), Mn0.8Fe0.2PO4 (MFP), hydrothermally synthesized VOPO4, LiVOPO4, and electrochemically lithiated Li2VOPO4 is investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis, coupled with mass spectrometry (TGA-MS). The thermal stability of the delithiated materials is found to be in the order of NCA < VOPO4 < MFP < FP. Unlike the layered oxides and MFP, VOPO4 does not evolve O2 on heating. Thus, VOPO4 is less likely to cause a thermal run-away phenomenon in batteries at elevated temperature and so is inherently safer. The lithiated materials LiVOPO4, Li2VOPO4, and LiNi0.8Co0.15Al0.05O2 are found to be stable in the presence of electrolyte, but sealed-capsule high-pressure experiments show a phase transformation of VOPO4 → HVOPO4 → H2VOPO4 when VOPO4 reacts with electrolyte (1 M LiPF6 in EC/DMC = 1:1) between 200 and 300 °C. Using first-principles calculations, we confirm that the charged VOPO4 cathode is indeed predicted to be marginally less stable than FP but significantly more stable than NCA in the absence of electrolyte. An analysis of the reaction equilibria between VOPO4 and EC using a multicomponent phase diagram approach yields products and reaction enthalpies that are highly consistent with the experiment results.

Petrographic and spectroscopic characterization of phosphate-stabilized mine tailings from Leadville, Colorado.

PubMed

Eusden, J D; Gallagher, L; Eighmy, T T; Crannell, B S; Krzanowski, J R; Butler, L G; Cartledge, F K; Emery, E F; Shaw, E L; Francis, C A

2002-01-01

The use of soluble PO4(3-) and lime as a heavy metal chemical stabilization agent was evaluated for mine tailings from Leadville, Colorado. The tailings are from piles associated with the Wolftone and Maid of Erin mines; ore material that was originally mined around 1900, reprocessed in the 1940s, and now requires stabilization. The dominant minerals in the tailings are galena (PbS), cerrusite (PbCO3), pyromorphite (Pb5(PO4)3Cl), plumbojarosite (Pb0.5Fe3(SO4)2(OH)6), and chalcophanites ((Pb,Fe,Zn,Mn)Mn2O5 x 2H2O). The tailings were treated with soluble PO4(3-) and lime to convert soluble heavy metals (principally Pb, Zn, Cu, Cd) into insoluble metal phosphate precipitates. The treatment process caused bulk mineralogical transformations as well as the formation of a reaction rind around the particles dominated by Ca and P. Within the mineral grains, Fe-Pb phosphosulfates, Fe-Pb sulfates (plumbojarosite), and galena convert to Fe-Ca-Pb hydroxides. The Mn-Pb hydroxides and Mn-(+/-Fe)-Pb hydroxides (chalcophanites) undergo chemical alteration throughout the grains during treatment. Bulk and surface spectroscopies showed that the insoluble reaction products in the rind are tertiary metal phosphate (e.g. (Cu,Ca2)(PO4)2) and apatite (e.g. Pb5(PO4)3Cl) family minerals. pH-dependent leaching (pH 4,6,8) showed that the treatment was able to reduce equilibrium concentrations by factors of 3 to 150 for many metals; particularly Pb2+, Zn2+, Cd2+, and Cu2+. Geochemical thermodynamic equilibrium modeling showed that apatite family and tertiary metal phosphate phases act as controlling solids for the equilibrium concentrations of Ca2+, PO4(3-) Pb2+, Zn2+, Cd2+, and Cu2+ in the leachates during pH-dependent leaching. Both end members and ideal solid solutions were seen to be controlling solids.

Effect of Al substitution on the enhanced electrochemical performance and strong structure stability of Na3V2(PO4)3/C composite cathode for sodium-ion batteries

NASA Astrophysics Data System (ADS)

Chen, Yanjun; Xu, Youlong; Sun, Xiaofei; Wang, Chao

2018-01-01

In this study, a promising cathode material in Na-ion batteries, Al-doped NASICON-type Na3V2-xAlx(PO4)3/C (0 ≤ × ≤0.03) samples are synthesized and characterized. The doping effects on the crystal structure are investigated by XRD and XPS, indicating that low dose of Al3+ doping generates no damage on the structure of the material, and aluminum is substituted for the vanadium site successfully. Electron microscopy and Raman data show that amorphous carbon coated on the matrix can enhance the electron conductivity. The electrochemical kinetic response of Al3+ doping are tested based on "slow-charge and rapid-discharge" electrochemical mode, results from before and after the cycles show that the doping samples have strong structure stability and excellent electrochemical performance because of low internal resistances and high ion conductivity. Thus, Na3V1.98Al0.02(PO4)3/C exhibits an initial reversible capacity of 102.7 mAh g-1 at 10 mA g-1 in the potential range between 2.3 and 3.8 V and delivers a discharge value of 95 mAh g-1vs. 59.9 mAh g-1 of NVP/C at current density of 70 mA g-1 discharge after 50 cycles. The ionic conductivity of Na3V1.98Al0.02(PO4)3/C sample at 3.4 V after 50 cycles at 10 mA g-1 charge 200 mA g-1 discharge is 1.31 × 10-12 cm2s-1, four orders of magnitude higher than the undoped one(7.79 × 10-17 cm2s-1).

Investigating the stability of cathode materials for rechargeable lithium ion batteries

NASA Astrophysics Data System (ADS)

Huang, Yiqing

Lithium ion batteries are widely used in portable electronic devices and electric vehicles. However, safety is one of the most important issues for the Li-ion batteries' use. Some cathode materials, such as LiCoO 2, are thermally unstable in the charged state. Upon decomposition these cathode materials release O2, which could react with organic electrolyte, leading to a thermal runaway. Thus understanding the stability of the cathode materials is critical to the safety of lithium ion batteries. Olivine-type LiMnPO4 is a promising cathode material for lithium ion batteries because of its high energy density. We have revealed the critical role of carbon in the stability and thermal behaviour of olivine MnPO 4 obtained by chemical delithiation of LiMnPO4. (Li)MnPO 4 samples with various particle sizes and carbon contents were studied. Carbon-free LiMnPO4 obtained by solid state synthesis in O 2 becomes amorphous upon delithiation. Small amounts of carbon (0.3 wt.%) help to stabilize the olivine structure, so that completely delithiated crystalline olivine MnPO4 can be obtained. Larger amount of carbon (2 wt.%) prevents full delithiation. Heating in air, O2, or N 2 results in structural disorder (< 300 °C), formation of an intermediate sarcopside Mn3(PO4)2 phase (350 -- 450 °C), and complete decomposition to Mn2P2O 7 on extended heating at 400 °C. Carbon protects MnPO4 from reacting with environmental water, which is detrimental to its structural stability. We not only studied the crystalline olivine MnPO4, but also investigated the amorphous products obtained from carbon-free LiMnPO 4. We have revealed the Mn dissolution phenomenon during chemical delithiation of LiMnPO4, which causes the amorphization of olivine MnPO 4. Properties of crystalline-MnPO4 obtained from carbon-coated LiMnPO4 and of amorphous product resulting from the delithiation of pure LiMnPO4 were studied and compared. The P-rich amorphous phases in the latter are considered to be MnHP2O7 and MnH2P

Selective Metal Exsolution in BaFe 2-yMy(PO 4) 2 (M = Co 2+, Ni 2+) Solid Solutions

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

Alcover, Ignacio Blazquez; Daviero-Minaud, Sylvie; David, Rénald

2015-08-19

The 2D-Ising ferromagnetic phase BaFe 2+ 2(PO 4) 2 shows exsolution of up to one-third of its iron content (giving BaFe 3+ 1.33(PO 4) 2) under mild oxidation conditions, leading to nanosized Fe 2O 3 exsolved clusters. Here we have prepared BaFe 2–yMy(PO 4) 2 (M = Co 2+, Ni 2+; y = 0, 0.5, 1, 1.5) solid solutions to investigate the feasibility and selectivity of metal exsolution in these mixed metallic systems. For all the compounds, after 600 °C thermal treatment in air, a complete oxidation of Fe 2+ to Fe 3+ leaves stable M 2+ ions, as verifiedmore » by 57Fe Mössbauer spectroscopy, TGA, TEM, microprobe, and XANES. Furthermore, the size of the nanometric α-Fe 2O 3clusters coating the main phase strongly depends on the y M metal concentration. For M-rich phases the iron diffusion is hampered so that a significant fraction of superparamagnetic α-Fe2O3 particles (100% for BaFe 0.5–xCo 1.5(PO 4) 2) was detected even at 78 K. Although Ni 2+and Co 2+ ions tend to block Fe diffusion, the crystal structure of BaFe 0.67Co 1(PO 4) 2demonstrates a fully ordered rearrangement of Fe 3+ and Co 2+ ions after Fe exsolution. We found that the magnetic behaviors of the Fe-depleted materials are mostly dominated by antiferromagnetic exchange, while Co 2+-rich compounds show metamagnetic transitions reminiscent of the BaCo 2(PO 4) 2 soft helicoidal magnet.« less

Degradation of microcystin-LR by highly efficient AgBr/Ag3PO4/TiO2 heterojunction photocatalyst under simulated solar light irradiation

NASA Astrophysics Data System (ADS)

Wang, Xin; Utsumi, Motoo; Yang, Yingnan; Li, Dawei; Zhao, Yingxin; Zhang, Zhenya; Feng, Chuanping; Sugiura, Norio; Cheng, Jay Jiayang

2015-01-01

A novel photocatalyst AgBr/Ag3PO4/TiO2 was developed by a simple facile in situ deposition method and used for degradation of mirocystin-LR. TiO2 (P25) as a cost effective chemical was used to improve the stability of AgBr/Ag3PO4 under simulated solar light irradiation. The photocatalytic activity tests for this heterojunction were conducted under simulated solar light irradiation using methyl orange as targeted pollutant. The results indicated that the optimal Ag to Ti molar ratio for the photocatalytic activity of the resulting heterojunction AgBr/Ag3PO4/TiO2 was 1.5 (named as 1.5 BrPTi), which possessed higher photocatalytic capacity than AgBr/Ag3PO4. The 1.5 BrPTi heterojunction was also more stable than AgBr/Ag3PO4 in photocatalysis. This highly efficient and relatively stable photocatalyst was further tested for degradation of the hepatotoxin microcystin-LR (MC-LR). The results suggested that MC-LR was much more easily degraded by 1.5 BrPTi than by AgBr/Ag3PO4. The quenching effects of different scavengers proved that reactive h+ and •OH played important roles for MC-LR degradation.

Density functional theory study of lithium diffusion at the interface between olivine-type LiFePO4 and LiMnPO4

NASA Astrophysics Data System (ADS)

Shi, Jianjian; Wang, Zhiguo; Qing Fu, Yong

2016-12-01

Coating LiMnPO4 with a thin layer of LiFePO4 shows a better electrochemical performance than the pure LiFePO4 and LiMnPO4, thus it is critical to understand Li diffusion at their interfaces to improve the performance of electrode materials. Li diffusion at the (1 0 0)\\text{LiFeP{{\\text{O}}4}} //(1 0 0)\\text{LiMnP{{\\text{O}}4}} , (0 1 0)\\text{LiFeP{{\\text{O}}4}} //(0 1 0)\\text{LiMnP{{\\text{O}}4}} , and (0 0 1)\\text{LiFeP{{\\text{O}}4}} //(0 0 1)\\text{LiMnP{{\\text{O}}4}} interfaces between LiFePO4 and LiMnPO4 was investigated using density functional theory. The calculated diffusion energy barriers are 0.55 eV for Li to diffuse along the (0 0 1) interface, 0.44 and 0.49 eV for the Li diffusion inside the LiMnPO4 and along the (1 0 0) interface, respectively. When Li diffuses from the LiFePO4 to LiMnPO4 by passing through the (0 1 0) interfaces, the diffusion barriers are 0.45 and 0.60 eV for the Li diffusions in both sides. The diffusion barriers for Li to diffuse in LiMnPO4 near the interfaces decrease compared with those in the pure LiMnPO4. The calculated diffusion coefficient of Li along the (1 0 0) interface is in the range of 3.65  ×  10-11-5.28  ×  10-12 cm2 s-1, which is larger than that in the pure LiMnPO4 with a value of 7.5  ×  10-14 cm2 s-1. Therefore, the charging/discharging rate performance of the LiMnPO4 can be improved by surface coating with the LiFePO4.

Thermal expansion of phosphates with the NaZr2(PO4)3 structure containing lanthanides and zirconium: R 0.33Zr2(PO4)3 ( R = Nd, Eu, Er) and Er0.33(1- x) Zr0.25 x Zr2(PO4)3

NASA Astrophysics Data System (ADS)

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

2015-09-01

Phosphates R 0.33Zr2(PO4)3 ( R = Nd, Eu, or Er) and Er0.33(1- х)Zr0.25Zr2(PO4)3 ( х = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr2(PO4)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: Nd0.33Zr2(PO4)3 with α a =-2.21 × 10-6 °С-1, α c = 0.81 × 10-6 °С-1, and Δα = 3.02 × 10-6 °С-1 and Er0.08Zr0.19Zr2(PO4)3 with α a =-1.86 × 10-6 °С-1, α c = 1.73 × 10-6 °С-1, and Δα = 3.58 × 10-6 °С-1.

Chemical reaction mechanisms between Y2O3 stabilized ZrO2 and Gd doped CeO2 with PH3 in coal syngas

NASA Astrophysics Data System (ADS)

Chen, Gang; Kishimoto, Haruo; Yamaji, Katsuhiko; Kuramoto, Koji; Gong, Mingyang; Liu, Xingbo; Hackett, Gregory; Gerdes, Kirk; Horita, Teruhisa

2014-12-01

To clarify the chemical stability of the key materials exposed to coal syngas (CSG) containing PH3 contaminant atmosphere, exposure tests of Y2O3 8 mol.% stabilized ZrO2 (YSZ) and Gd doped CeO2 (GDC) are carried out in simulated CSG with different concentrations of PH3. Significant reaction between YSZ and 10 ppm PH3 in CSG atmosphere is confirmed, and no obvious reaction is detected on the surface of YSZ after exposed in CSG with 1 ppm PH3. YPO4, Zr2.25(PO4)3 and monoclinic Y partial stabilized ZrO2 (m-PSZ) are identified on the YSZ pellet surface after exposed in CSG with 10 ppm PH3. GDC reacted with PH3 even at 1 ppm concentration. A (Ce0.9Gd0.1)PO4 layer is formed on the surface of GDC pellet after exposure in CSG with 10 ppm PH3. Possible reaction mechanisms between YSZ and GDC with PH3 in CSG are clarified. Compared with GDC, YSZ exhibits sufficient phosphorus resistance for devices directly exposed to a coal syngas atmosphere containing low concentration of PH3.

Preparation, Characterization, and Structure of Two Layered Molybdenum(VI) Phosphates: KMo(H 2O)O 2PO 4 and NH 4Mo(H 2O)O 2PO 4

NASA Astrophysics Data System (ADS)

Millini, Roberto; Carati, Angela

1995-08-01

New layered Mo(VI) compounds, KMo(H 2O)O 2PO 4 (I) and NH 4Mo(H 2O)O 2PO 4 (II), were synthesized hydrothermally and their structures were determined from single-crystal X-ray analysis. Compounds (I) and (II) are isostructural and crystallize in the monoclinic P2 1/ n space group with a = 12.353(3), b = 8.623(2), c = 5.841(1) Å, β = 102.78(1)°, V = 606.8(2) Å 3, Z = 4, and R = 0.027 ( Rw = 0.030) for compound (I) and a = 12.435(3), b = 8.761(2), c = 6.015(1), β = 103.45(1)°, V = 637.3(2) Å 3, Z = 4, and R = 0.040 ( Rw = 0.041) for compound (II). The structure consists of layers built up of eight- and four-membered rings resulting from the alternation of corner-sharing [MoO 6] octahedra and [PO 4] tetrahedra. The layers stack along the (1¯01) direction by intercalating K and NH 4 ions.

NaTi2(PO4)3 as an Aqueous Anode: Degradation Mechanisms and Mitigation Techniques

NASA Astrophysics Data System (ADS)

Mohamed, Alexander I.

With the proliferation of renewable energy sources, there has been a growing interest in battery chemistries for grid scale energy storage. Aqueous sodium ion batteries are particularly interesting for large scale energy storage because of their low cost and high safety, however, they tend to show poor long term stability. NaTi2(PO4)3 (NTP) shows promise as an anode for these systems with excellent long term stability when cycled quickly. When cycled slowly, NaTi2(PO4) 3 shows rapid capacity fade. The reasons for this rate depend capacity fade is poorly understood and is the topic of this document. It has been found that the products of the hydrogen evolution reaction, H2(g) and OH-, are the two largest contributors to capacity fade. High electrolyte pH caused by generation of OH- promotes dissolution of NTP during extend cycling, this is exacerbated when the pH increase above 11. The single greatest cause of apparent capacity fade for this material is loss of electrochemical surface area due to hydrogen gas entrapment within the porous structure of the electrode. Capacity lost in this manner can be recovered through reinfiltration of the electrode. The detrimental effects of gas entrapment within the electrode can be partially mitigated through compositing of the electrode with activated carbon and enhancing the wettability of the pores through addition of a surfactant to the electrolyte.

Simultaneous stabilization/solidification of Mn2+ and NH4+-N from electrolytic manganese residue using MgO and different phosphate resource.

PubMed

Shu, Jiancheng; Wu, Haiping; Liu, Renlong; Liu, Zuohua; Li, Bing; Chen, Mengjun; Tao, Changyuan

2018-02-01

This study examined simultaneous stabilization and solidification (S/S) of Mn 2+ and NH 4 + -N from electrolytic manganese residue (EMR) using MgO and different phosphate resource. The characteristics of EMR NH 4 + -N and Mn 2+ S/S behavior, S/S mechanisms, leaching test and economic analysis, were investigated. The results show that the S/S efficiency of Mn 2+ and NH 4 + -N could reach 91.58% and 99.98%, respectively, and the pH value is 8.75 when the molar ratio of Mg:P is 3:1 and the dose of PM (MgO and Na 3 PO 4 ·12H 2 O) is 8wt%. In this process, Mn 2+ could mainly be stabilized in the forms of Mn(H 2 PO 4 ) 2 ·2H 2 O, Mn 3 (PO 4 ) 2 ·3H 2 O, Mn(OH) 2 , and MnOOH, and NH 4 + -N in the form of NH 4 MgPO 4 ·6H 2 O. Economic evaluation indicates that using PM process has a lower cost than HPM and HOM process for the S/S of Mn 2+ and NH 4 + -N from EMR at the same stabilization agent dose. Leaching test values of all the measured metals are within the permitted level for the GB8978-1996 test suggested when the dose of PM, HPM and HOM is 8wt%. Copyright © 2017 Elsevier Inc. All rights reserved.

Role of PO4 tetrahedron in LiFePO4 and FePO4 system.

PubMed

Zeng, Yuewu

2015-06-01

Using high resolution transmission electron microscopy with image simulation and Fourier analysis, the Li1- x FePO4 (x < 0.01), Li1- x FePO4 (x ∼ 0.5), and FePO4 particles, prepared by charging or discharging the 053048 electrochemical cells (thickness: 5 mm, width: 30 mm, height: 48 mm) and dismantled inside an Ar-filled dry box, were investigated. The high resolution images reveal: (1) the solid solution of Li1- x FePO4 (x < 0.01) contains some missing Li ions leading PO4 group distorted around M1 tunnel of the unit cell; (2) the texture of the particles of Li1- x FePO4 (x ∼0.5) has homogeneously distributed compositional domains of LiFePO4 and FePO4 resulting from spinodal decomposition which promote Li ion easily getting into the particle due to uphill diffusion, (3) the particles of FePO4 formed in charging have heavily distorted lattice and contain some isolated LiFePO4 , (4) interface between LiFePO4 and FePO4 and between amorphous and crystal region provides the lattice distortion of small polarons. © 2015 Wiley Periodicals, Inc.

Reaping the redox switching capability of vanadium in Li3V2(PO4)3/HHC composite to demonstrate the rocking chair electrode performance

NASA Astrophysics Data System (ADS)

Saravanan, Karuppiah; Kalaiselvi, Nallathamby

2017-10-01

The study exploits the functional advantages of vanadium with variable oxidation states to extract maximum energy from Li3V2(PO4)3/HHC composite containing human hair derived carbon. Vanadium, present in the form of V3+ in Li3V2(PO4)3 stabilizes itself electrochemically as V4+ by forming LiV2(PO4)3 through oxidation in the potential range 3.0-4.5 V and as V1+ by forming Li7V2(PO4)3 due to the reduction of V3+ into V1+ in the 0.01-3.0 V region, thus qualifying LVP as a rocking chair electrode. In other words, Li3V2(PO4)3/HHC composite demonstrates itself as anode and as cathode for lithium-ion batteries. Li3V2(PO4)3/HHC cathode exhibits ultra high capacity, excellent rate capability at 50C and retains about 99% capacity up to 1000 cycles. As anode, Li3V2(PO4)3/HHC delivers a capacity of 428 mAh g-1 at 50 mA g-1 and tolerates 5 A g-1 condition up to 1000 cycles with a negligible capacity fade. The dual electrode behavior of Li3V2(PO4)3/HHC may be attributed to the unique architecture of HHC that provides high electronic conductivity, facilitates rapid diffusion of lithium ions and admits volume changes during intercalation/deintercalation. More importantly, HHC is a cheap and eco-friendly carbon additive derived from filthy human hair, which in turn offers ample scope for the commercial exploitation of title electrode.

Velocity diagrams

NASA Technical Reports Server (NTRS)

Whitney, W. J.; Stewart, W. L.

1972-01-01

The selection and design of velocity diagrams for axial flow turbines are considered. Application is treated in two parts which includes: (1) mean-section diagrams, and (2) radial variation of diagrams. In the first part, the velocity diagrams occurring at the mean section are assumed to represent the average conditions encountered by the turbine. The different types of diagrams, their relation to stage efficiency, and their selection when staging is required are discussed. In the second part, it is shown that in certain cases the mean-section diagrams may or may not represent the average flow conditions for the entire blade span. In the case of relatively low hub- to tip-radius ratios, substantial variations in the velocity diagrams are encountered. The radial variations in flow conditions and their effect on the velocity diagrams are considered.

Durability of the Li 1+xTi 2–xAl x(PO 4) 3 Solid Electrolyte in Lithium–Sulfur Batteries

DOE PAGES

Wang, Shaofei; Ding, Yu; Zhou, Guangmin; ...

2016-10-31

Adoption of cells with a solid-state electrolyte is a promising solution for eliminating the polysulfide shuttle problem in Li-S batteries. Among the various known lithium-ion conducting solid electrolytes, the sodium superionic conductor (NASICON)-type Li 1+xTi 2-xAl x(PO 4) 3 offers the advantage of good stability under ambient conditions and in contact with air. Accordingly, we present here a comprehensive assessment of the durability of Li 1+xTi 2-xAl x(PO 4) 3 in contact with polysulfide solution and in Li-S cells. Because of its high reduction potential (2.5 V vs Li/Li +), Li 1+xTi 2-xAl x(PO 4) 3 gets lithiated in contactmore » with lithium polysulfide solution and Li 2CO 3 is formed on the particle surface, blocking the interfacial lithium-ion transport between the liquid and solid-state electrolytes. After the lithium insertion into the NASICON framework, the crystal expands in an anisotropic way, weakening the crystal bonds, causing fissures and resultant cracks in the ceramic, corroding the grain boundaries by polysulfide solution, and leaving unfavorable pores. The assembly of pores creates a gateway for polysulfide diffusion from the cathode side to the anode side, causing an abrupt decline in cell performance. Therefore, the solid-state electrolytes need to have good chemical compatibility with both the electrode and electrolyte, long-term stability under harsh chemical environment, and highly stable grain boundaries.« less

Diagrams and Math Notation in E-Learning: Growing Pains of a New Generation

ERIC Educational Resources Information Center

Smith, Glenn Gordon; Ferguson, David

2004-01-01

Current e-learning environments are ill-suited to college mathematics. Instructors/students struggle to post diagrams and math notation. A new generation of math-friendly e-learning tools, including WebEQ, bundled with Blackboard 6, and NetTutor's Whiteboard, address these problems. This paper compares these two systems using criteria for ideal…

Brain parenchyma PO2, PCO2, and pH during and after hypoxic, ischemic brain insult in dogs.

PubMed

McKinley, B A; Morris, W P; Parmley, C L; Butler, B D

1996-11-01

-hr intervals. Baseline data agreed closely with other published results: brain parenchyma PO2 of 27 +/- 7 (SD) torr (3.6 +/- 0.9 kPa); brain parenchyma PCO2 of 69 +/- 12 torr (9.2 +/- 1.6 kPa); and brain parenchyma pH of 7.13 +/- 0.09. Postcalibration data were accurate, indicating stability and durability over several hours. In six experiments, during the brain insult, brain parenchyma PO2 decreased to 16 +/- 2 torr (2.1 +/- 0.3 kPa), brain parenchyma PCO2 increased to 105 +/- 44 torr (14 +/- 5.9 kPa) (p < .05), and brain parenchyma pH decreased to 6.75 +/- 0.08 (p < .05). Intracranial pressure (ICP) remained nearly constant (baseline 16 +/- 6 to 14 +/- 5 mm Hg at the end of the brain insult). Cerebral perfusion pressure (CPP = MAP - ICP) decreased (baseline 95 +/- 15 to 28 +/- 8 mm Hg; p < .05). On release of brain insult stresses, ICP increased to 30 +/- 9 mm Hg and CPP increased to 71 +/- 19 mm Hg (p < .05). A biphasic recovery was observed for brain parenchyma pH, which had the slowest recovery of the monitored variables. On average, brain parenchyma pH gradually returned toward baseline, and was no longer significantly different from baseline 3 hrs after release of insult stresses. Brain parenchyma PCO2 continued to decrease rapidly after brain insult and then remained approximately 52 +/- 10 torr (approximately 6.9 +/- 1.3 kPa) (p < .05). Brain parenchyma PO2 increased from a minimum at the end of brain insult to a maximum of 43 +/- 17 torr (5.7 +/- 2.3 kPa) within 1.25 hrs (p < .05), and then gradually decreased to approximately 35 +/- 10 torr (approximately 4.7 +/- 1.3 kPa). Cerebral perfusion pressure gradually decreased as ICP increased 3 to 5 hrs after insult. Intracranial chemistry probes with optical sensors demonstrated stable, reproducible monitoring of brain parenchyma PO2, PCO2, and pH in dogs for periods lasting > 8 hrs. Significant changes in brain p

Comparison of stabilization by Vitamin E and 2,6-di-tert-butylphenols during polyethylene radio-thermal-oxidation

NASA Astrophysics Data System (ADS)

Richaud, Emmanuel

2014-10-01

This paper reports a compilation of data for PE+Vitamin E and 2,6-di-tert-butylphenols oxidation in radio-thermal ageing. Data unambiguously show that Vitamin E reacts with Prad and POOrad whereas 2,6-di-tert-butyl phenols only react with POOrad. Kinetic parameters of the stabilization reactions for both kinds of antioxidants were tentatively extracted from phenol depletion curves, and discussed regarding the structure of the stabilizer. They were also used for completing an existing kinetic model used for predicting the stabilization by antioxidants. This one permits to compare the efficiency of stabilizer with dose rate or sample thickness.

Identifying the Structure of the Intermediate, Li 2/3CoPO 4, Formed during Electrochemical Cycling of LiCoPO 4

DOE PAGES

Strobridge, Fiona C.; Clément, Raphaële J.; Leskes, Michal; ...

2014-11-03

In situ synchrotron diffraction measurements and subsequent Rietveld refinements are used to show that the high energy density cathode material LiCoPO 4 (space group Pnma) undergoes two distinct two-phase reactions upon charge and discharge, both occurring via an intermediate Li 2/3(Co 2+) 2/3(Co 3+) 1/3PO 4 phase. Two resonances are observed for Li 2/3CoPO 4 with intensity ratios of 2:1 and 1:1 in the 31P and 7Li NMR spectra, respectively. An ordering of Co 2+/Co 3+ oxidation states is proposed within a (a × 3b × c) supercell, and Li +/vacancy ordering is investigated using experimental NMR data in combinationmore » with first-principles solid-state DFT calculations. In the lowest energy configuration, both the Co 3+ ions and Li vacancies are found to order along the b-axis. Two other low energy Li +/vacancy ordering schemes are found only 5 meV per formula unit higher in energy. All three configurations lie below the LiCoPO 4–CoPO 4 convex hull and they may be readily interconverted by Li + hops along the b-direction.« less

Investigation of sodium insertion–extraction in olivine Na x FePO 4 (0 ≤ x ≤ 1) using first-principles calculations

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

Saracibar, A.; Carrasco, J.; Saurel, D.

Olivine NaFePO4 has recently attracted the attention of the scientific community as a promising cathode material for Na-ion batteries. In this work we combine density functional theory (DFT) calculations and high resolution synchrotron X-ray diffraction (HRXRD) experiments to study the phase stability of NaxFePO4 along the whole range of sodium compositions (0 ≤ x ≤ 1). DFT calculations reveal the existence of two intermediate structures governing the phase stability at x = 2/3 and x = 5/6. This is in contrast to isostructural LiFePO4, which is a broadly used cathode in Li-ion batteries. Na2/3FePO4 and Na5/6FePO4 ground states both alignmore » vacancies diagonally within the ab plane, coupled to a Fe2+/Fe3+ alignment. HRXRD data for NaxFePO4 (2/3 < x < 1) materials show common superstructure reflections up to x = 5/6 within the studied compositions. The computed intercalation voltage profile shows a voltage difference of 0.16 V between NaFePO4 and Na2/3FePO4 in agreement with the voltage discontinuity observed experimentally during electrochemical insertion.« less

Variation in emulsion stabilization behavior of hybrid silicone polymers with change in molecular structure: Phase diagram study.

PubMed

Mehta, Somil C; Somasundaran, P; Kulkarni, Ravi

2009-05-15

Silicone oils are widely used in cosmetics and personal care applications to improve softness and condition skin and hair. Being insoluble in water and most hydrocarbons, a common mode of delivering them is in the form of emulsions. Currently most applications use polyoxyethylene (non-ionic) modified siloxanes as emulsifiers to stabilize silicone oil emulsions. However, ionically grafted silicone polymers have not received much attention. Ionic silicones have significantly different properties than the non-ionic counterpart. Thus considerable potential exists to formulate emulsions of silicones with different water/silicone oil ratios for novel applications. In order to understand the mechanisms underlying the effects of hydrophilic modifications on the ability of hybrid silicone polymers to stabilize various emulsions, this article focuses on the phase diagram studies for silicone emulsions. The emulsifying ability of functional silicones was seen to depend on a number of factors including hydrophilicity of the polymer, nature of the functional groups, the extent of modification, and the method of emulsification. It was observed that the region of stable emulsion in a phase diagram expanded with increase in shear rate. At a given shear rate, the region of stable emulsion and the nature of emulsion (water-in-oil or oil-in-water) was observed to depend on hydrophilic-hydrophobic balance of the hybrid silicone emulsifier. At a fixed amount of modification, the non-ionically modified silicone stabilized an oil-in-water emulsion, whereas the ionic silicones stabilized inverse water-in-oil emulsions. This was attributed to the greater hydrophilicity of the polyoxyethylene modified silicones than the ionic counterparts. In general, it is postulated that with progressive increase in hydrophilicity of hybrid silicone emulsifiers, their tendency to stabilize water-in-oil emulsion decreases with corresponding increase in oil-in-water emulsion. Further, this behavior is

Experimental ammonia-free phosphate-bonded investments using Mg(H2PO4)2 solution.

PubMed

Takashiba, Shigeyuki; Zhang, Zutai; Tamaki, Yukimichi

2002-12-01

In our previous study, we investigated ammonia-free phosphate-bonded investments using Mg (H2PO4)2 powder. The purpose of the present study was to attempt usage of 50 wt% Mg (H2PO4)2 solution instead of powder. Magnesium oxide (MgO) was prepared as a binder and cristobalite was selected as a refractory. After arranging six kinds of experimental investments (A-F) with different cristobalite/MgO ratios, the fundamental properties of the dental investments were examined. The properties of the molds were influenced by the amount of MgO. Decreases in MgO showed lower mold strengths, longer setting time and larger setting expansion. According to XRD analysis, the peaks of MgH(PO4)3 x 3H2O newly formed, cristobalite and MgO were detected in the A set, but MgO peaks in F set were reduced. On the other hand, the surface of F was entirely covered by phosphorus. From these results, it was found that the usage of Mg(H2PO4)2 solution was possible for ammonia-free investments.

Heterometallic cerium(IV) perrhenate, permanganate, and molybdate complexes supported by the imidodiphosphinate ligand [N(i-Pr2PO)2]-.

PubMed

Wang, Guo-Cang; Sung, Herman H Y; Dai, Feng-Rong; Chiu, Wai-Hang; Wong, Wai-Yeung; Williams, Ian D; Leung, Wa-Hung

2013-03-04

Heterometallic cerium(IV) perrhenate, permanganate, and molybdate complexes containing the imidodiphosphinate ligand [N(i-Pr2PO)2](-) have been synthesized, and their reactivity was investigated. Treatment of Ce[N(i-Pr2PO)2]3Cl (1) with AgMO4 (M = Re, Mn) afforded Ce[N(i-Pr2PO)2]3(ReO4) (2) or Ce2[N(i-Pr2PO)2]6(MnO4)2 (3). In the solid state, 3 is composed of a [Ce2{N(i-Pr2PO)2}6(MnO4)](+) moiety featuring a weak Ce-OMn interaction [Ce-OMn distance = 2.528(8) Å] and a noncoordinating MnO4(-) counteranion. While 3 is stable in the solid state and acetonitrile solution, it decomposes readily in other organic solvents, such as CH2Cl2. 3 can oxidize ethylbenzene to acetophenone at room temperature. Treatment of 1 with AgBF4, followed by reaction with [n-Bu4N]2[MoO4], afforded [Ce{N(i-Pr2PO)2}3]2(μ-MoO4) (4). Reaction of trans-Ce[N(i-Pr2PO)2]2(NO3)2 (5), which was prepared from (NH4)2Ce(NO3)6 and K[N(i-Pr2PO)2], with 2 equiv of [n-Bu4N][Cp*MoO3] yielded trans-Ce[N(i-Pr2PO)2]2(Cp*MoO3)2 (6). 4 can catalyze the oxidation of methyl phenyl sulfide with tert-butyl hydroperoxide with high selectivity. The crystal structures of complexes 3-6 have been determined.

Lithium ion conduction in sol-gel synthesized LiZr2(PO4)3 polymorphs

NASA Astrophysics Data System (ADS)

Kumar, Milind; Yadav, Arun Kumar; Anita, Sen, Somaditya; Kumar, Sunil

2018-04-01

Safety issue associated with the high flammability and volatility of organic electrolytes used in commercial rechargeable lithium ion batteries has led to significant attention to ceramic-based solid electrolytes. In the present study, lithium ion conduction in two polymorphs of LiZr2(PO4)3 synthesized via the sol-gel route has been investigated. Rietveld refinement of room temperature X-ray diffraction data of LiZr2(PO4)3 powders calcined at 900 °C and 1300 °C confirmed these to be the monoclinic phase with P21/n structure and rhombohedral phase with R3¯c structure, respectively. Increase in calcination temperature and resultant phase transformation improved the room temperature conductivity from 2.27×10-6 ohm-1m-1 for the monoclinic phase to 1.41×10-4 ohm-1m-1 for rhombohedral phase. Temperature dependence of conductivity was modeled using Arrhenius law and activation energy of ˜ 0.59 eV (for monoclinic phase) and ˜0.50 eV (for rhombohedral phase) were obtained.

Thermal Stability and Reactivity of Cathode Materials for Li-Ion Batteries

DOE PAGES

Huang, Yiqing; Lin, Yuh -Chieh; Jenkins, David M.; ...

2016-02-25

Here, the thermal stability of electrochemically delithiated Li 0.1Ni 0.8Co 0.15Al 0.05O 2 (NCA), FePO 4 (FP), Mn 0.8Fe 0.2PO 4 (MFP), hydrothermally synthesized VOPO 4, LiVOPO 4, and electrochemically lithiated Li 2VOPO 4 is investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis, coupled with mass spectrometry (TGA-MS). The thermal stability of the delithiated materials is found to be in the order of NCA < VOPO 4 < MFP < FP. Unlike the layered oxides and MFP, VOPO 4 does not evolve O 2 on heating. Thus, VOPO 4 is less likely to cause a thermal run-away phenomenon inmore » batteries at elevated temperature and so is inherently safer. The lithiated materials LiVOPO 4, Li 2VOPO 4, and LiNi 0.8Co 0.15Al 0.05O 2 are found to be stable in the presence of electrolyte, but sealed-capsule high-pressure experiments show a phase transformation of VOPO 4 → HVOPO 4 → H 2VOPO 4 when VOPO 4 reacts with electrolyte (1 M LiPF 6 in EC/DMC = 1:1) between 200 and 300 °C. Using first-principles calculations, we confirm that the charged VOPO 4 cathode is indeed predicted to be marginally less stable than FP but significantly more stable than NCA in the absence of electrolyte. An analysis of the reaction equilibria between VOPO 4 and EC using a multicomponent phase diagram approach yields products and reaction enthalpies that are highly consistent with the experiment results.« less

Production of Aluminum Stabilized Superconducting Cable for the Mu2e Transport Solenoid

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

Lombardo, Vito; Ambrosio, Giorgio; Evbota, Daniel

Here, the Fermilab Mu2e experiment, currently under construction at Fermilab, has the goal of measuring the rare process of direct muon to electron conversion in the field of a nucleus. The experiment features three large superconducting solenoids: the production solenoid (PS), the transport solenoid (TS), and the detector solenoid (DS). The TS is an “S-shaped” solenoid that sits in between the PS and the DS producing a magnetic field ranging between 2.5 and 2.0 T. This paper describes the various steps that led to the successful procurement of over 740 km of superconducting wire and 44 km of Al-stabilized Rutherfordmore » cable needed to build the 52 coils that constitute the Mu2e TS cold mass. The main cable properties and results of electrical and mechanical test campaigns are summarized and discussed. Critical current measurements of the Al-stabilized cables are presented and compared to expected critical current values as measured on extracted strands from the final cables after chemical etching of the aluminum stabilizer. A robust and reliable approach to cable welding is presented, and the effect of cable bending on the transport current is also investigated and presented.« less

Production of Aluminum Stabilized Superconducting Cable for the Mu2e Transport Solenoid

DOE PAGES

Lombardo, Vito; Ambrosio, Giorgio; Evbota, Daniel; ...

2018-01-15

Here, the Fermilab Mu2e experiment, currently under construction at Fermilab, has the goal of measuring the rare process of direct muon to electron conversion in the field of a nucleus. The experiment features three large superconducting solenoids: the production solenoid (PS), the transport solenoid (TS), and the detector solenoid (DS). The TS is an “S-shaped” solenoid that sits in between the PS and the DS producing a magnetic field ranging between 2.5 and 2.0 T. This paper describes the various steps that led to the successful procurement of over 740 km of superconducting wire and 44 km of Al-stabilized Rutherfordmore » cable needed to build the 52 coils that constitute the Mu2e TS cold mass. The main cable properties and results of electrical and mechanical test campaigns are summarized and discussed. Critical current measurements of the Al-stabilized cables are presented and compared to expected critical current values as measured on extracted strands from the final cables after chemical etching of the aluminum stabilizer. A robust and reliable approach to cable welding is presented, and the effect of cable bending on the transport current is also investigated and presented.« less

Conformational stability of the propylene oxide-water adduct: direct spectroscopic detection of O-H...O hydrogen bonded conformers.

PubMed

Su, Zheng; Wen, Qing; Xu, Yunjie

2006-05-24

The 1:1 molecular adduct of propylene oxide and water (PO-H(2)O) was studied using Fourier transform microwave spectroscopy and high level ab initio methods. Two distinct structural conformers with the water molecule acting as a proton donor were detected experimentally: one with the water on the same side as the methyl group with respect to the ether ring, i.e., syn-PO-H(2)O, the other with the water molecule binding to the O-atom from the opposite side of the methyl group, i.e., anti-PO-H(2)O. The nonbonded hydrogen is entgegen to the ether ring in both conformers. Rotational spectra of four isotopic species, namely PO-H(2)O, PO-DOH, PO-HOD, and PO-D(2)O, were recorded for the two conformers. The hydrogen bond parameters: r(O(epoxy)...H), angle(ring-O(epoxy)...H), and angle(O(epoxy)...H-O) are 1.908 A, 112 degrees, and 177 degrees for syn-PO-H(2)O, and 1.885 A, 104.3 degrees, and 161.7 degrees for anti-PO-H(2)O, respectively. The experimental results suggest that the hydrogen bond in syn-PO-H(2)O is stronger and the monomer subunits are more rigidly locked in their positions than in the ethylene oxide-water adduct. The stabilizing effect of the methyl group to the intermolecular hydrogen bond is discussed in terms of the experimentally estimated binding energies, the structural parameters, and the ab initio calculations.

3 D Co3 (PO4 )2 -Reduced Graphene Oxide Flowers for Photocatalytic Water Splitting: A Type II Staggered Heterojunction System.

PubMed

Samal, Alaka; Swain, Smrutirekha; Satpati, Biswarup; Das, Dipti Prakasini; Mishra, Barada Kanta

2016-11-23

The design, synthesis, and photoelectrochemical characterization of Co 3 (PO 4 ) 2 , a hydrogen evolving catalyst modified with reduced graphene oxide (RGO), is reported. The 3 D flowerlike Co 3 (PO 4 ) 2 heterojunction system, consisting of 3 D flowerlike Co 3 (PO 4 ) 2 and RGO sheets, was synthesized by a one-pot in situ photoassisted method under visible-light irradiation, which was achieved without the addition of surfactant or a structure-directing reagent. For the first time, Co 3 (PO 4 ) 2 is demonstrated to act as a hydrogen evolving catalyst rather than being used as an oxygen evolving photoanode. In particular, 3 D flowerlike Co 3 (PO 4 ) 2 anchored to RGO nanosheets is shown to possess dramatically improved photocatalytic activity. This enhanced photoactivity is mainly due to the staggered type II heterojunction system, in which photoinduced electrons from 3 D flowerlike Co 3 (PO 4 ) 2 transfer to the RGO sheets and result in decreased charge recombination, as evidenced by photoluminescence spectroscopy. The band gap of Co 3 (PO 4 ) 2 was calculated to be 2.35 eV by the Kubelka-Munk method. Again, the Co 3 (PO 4 ) 2 semiconductor displays n-type behavior, as observed from Mott-Schottky measurements. These RGO-Co 3 (PO 4 ) 2 conjugates are active in the visible range of solar light for water splitting and textile dye degradation, and can be used towards the development of greener and cheaper photocatalysts by exploiting solar light. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical flow regime diagrams for the AGCE

NASA Technical Reports Server (NTRS)

Fowlis, W. W.; Miller, T. L.; Roberts, G. O.; Kopecky, K. J.

1984-01-01

The major criterion for the design of the Atmospheric General Circulation Experiment is that it be possible to realize strong baroclinic instability in the apparatus. A spherical annulus configuration which allows only steady basic state flows was chosen for the first set of stability analyses. Baroclinic instability was found for this configuration and few results suggest a regime diagram very different from the cylindrical annulus regime diagram.

High energy density of Li3-xNaxV2(PO4)3/C cathode material with high rate cycling performance for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zuo, Zong-Lin; Deng, Jian-Qiu; Pan, Jin; Luo, Wen-Bin; Yao, Qing-Rong; Wang, Zhong-Min; Zhou, Huai-Ying; Liu, Hua-Kun

2017-07-01

A serials of micro-sized Li3-xNaxV2(PO4)3/C composite has been synthesized by sol-gel method, comprised of numerous primary nanocrystals. This structure can efficiently facilitate lithium-ion transport in secondary aggregated individual particles due to the short diffusion distance among primary nanocrystals, along with a high tap density. With the increasing of Na doping content, the structure evolution occurs in Li3-xNaxV2(PO4)3 from a single-phase structure to a two-phase structure. The appearance of rhombohedral phase can provide a larger free volume of the interstitial space, fastening ionic movement to offer an excellent high rate capability. Furthermore, Na doping can stabilize the rhombohedral structure of the V2(PO4)3 framework, leading to the remarkable cycling stability. Among all the composites, Li2.6Na0.4V2(PO4)3/C presents the best electrochemical performance with a high energy density of 478.8 Wh kg-1, delivering high initial discharge capacities of 121.6, 113.8 and 109.7 mAh g-1 at the rate of 5 C, 10 C and 20 C in a voltage range of 3.0 - 4.3 V, respectively. It also exhibit an excellent high rate cycling performance, with capacity retention of 85.9 %, 81.7 % and 76.5 % after 1000 cycles at the rate of 5 C, 10 C and 20 C in a voltage range of 3.0 - 4.3 V.

Systematic Analysis of the Pleurotus ostreatus Laccase Gene (PoLac) Family and Functional Characterization of PoLac2 Involved in the Degradation of Cotton-Straw Lignin.

PubMed

Jiao, Xiaoyu; Li, Guoqing; Wang, Yan; Nie, Fan; Cheng, Xi; Abdullah, Muhammad; Lin, Yi; Cai, Yongping

2018-04-11

Fungal laccases play important roles in the degradation of lignocellulose. Although some PoLac s have been reported in several studies, still no comprehensive bioinformatics study of the LAC family in Pleurotus ostreatus has been reported. In this study, we identified 12 laccase genes in the whole genome sequence of P. ostreatus and their physical characteristics, gene distribution, phylogenic relationships, gene structure, conserved motifs, and cis-elements were also analyzed. The expression patterns of 12 PoLac genes at different developmental stages and under different culture substrates were also analyzed. The results revealed that PoLac2 and PoLac12 may be involved in the degradation of lignin and the formation of the fruiting body, respectively. Subsequently, we overexpressed PoLac2 in P. ostreatus by the Agrobacterium tumefaciens -mediated transformation (ATMT) method. The transformants' laccase activity increased in varying degrees, and the gene expression level of PoLac2 in transformants was 2-8 times higher than that of the wild-type strain. Furthermore, the lignin degradation rate by transgenic fungus over 30 days was 2.36-6.3% higher than that of wild-type. Our data show that overexpression of PoLac2 significantly enhanced the lignin degradation of cotton-straw. To our knowledge, this study is the first report to demonstrate the functions of PoLac2 in P. ostreatus .

Phase transition and multicolor luminescence of Eu{sup 2+}/Mn{sup 2+}-activated Ca{sub 3}(PO{sub 4}){sub 2} phosphors

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

Li, Kai; Chen, Daqin, E-mail: dqchen@fjirsm.ac.cn; Xu, Ju

2014-01-01

Graphical abstract: We have synthesized Eu{sup 2+} doped and Eu{sup 2+}/Mn{sup 2+} co-doped Ca{sub 3}(PO{sub 4}){sub 2} phosphors. The emitting color varies from blue to green with increasing of Eu{sup 2+} content for the Eu{sup 2+}-doped phosphor, and the quantum yield of the 0.05Eu{sup 2+}: Ca{sub 2.95}(PO{sub 4}){sub 2} sample reaches 56.7%. Interestingly, Mn{sup 2+} co-doping into Eu{sup 2+}: Ca{sub 3}(PO{sub 4}){sub 2} leads to its phase transition from orthorhombic to rhombohedral, and subsequently generates tunable multi-color luminescence from green to red via Eu{sup 2+} → Mn{sup 2+} energy transfer. - Highlights: • A series of novel Eu{sup 2+}: Ca{submore » 3}(PO{sub 4}){sub 2} phosphors were successfully synthesized. • Phase transition of Ca{sub 3}(PO{sub 4}){sub 2} from orthorhombic to rhombohedral occurred when Mn{sup 2+} ions were doped. • The phosphors exhibited tunable multi-color luminescence. • The quantum yield of 0.05Eu{sup 2+}: Ca{sub 2.95}(PO{sub 4}){sub 2} phosphor can reach 56.7%. • The analyses of phosphors were carried out by many measurements. - Abstract: Intense blue-green-emitting Eu{sup 2+}: Ca{sub 3}(PO{sub 4}){sub 2} and tunable multicolor-emitting Eu{sup 2+}/Mn{sup 2+}: Ca{sub 3}(PO{sub 4}){sub 2} phosphors are prepared via a solid-state reaction route. Eu{sup 2+}-doped orthorhombic Ca{sub 3}(PO{sub 4}){sub 2} phosphor exhibits a broad emission band in the wavelength range of 400–700 nm with a maximum quantum yield of 56.7%, and the emission peak red-shifts gradually from 479 to 520 nm with increase of Eu{sup 2+} doping content. Broad excitation spectrum (250–420 nm) of Eu{sup 2+}: Ca{sub 3}(PO{sub 4}){sub 2} matches well with the near-ultraviolet LED chip, indicating its potential applications as tri-color phosphors in white LEDs. Interestingly, Mn{sup 2+} co-doping into Eu{sup 2+}: Ca{sub 3}(PO{sub 4}){sub 2} leads to its phase transition from orthorhombic to rhombohedral, and subsequently generates tunable multi

Direct synthesis and characterization of mixed-valent Li 0.5$-$δCoPO 4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO 4

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

Ludwig, Jennifer; Alarcon-Suesca, Carlos; Geprags, Stephan

While the majority of research activities on LiCoPO 4 is focussed on the thermodynamically stable olivine-type Pnma polymorph, the metastable Pna2 1 and Cmcm modifications have recently attracted considerable attention due to their interesting material properties. In this study, we present the first Li-deficient structural derivative of the Cmcm modification with the nominal composition Li 0.5–δCoPO 4. As opposed to the substoichiometric olivine ( Pnma) phases Li xCoPO 4 (x = 0; 2/3), which are exclusively accessible by electrochemical or chemical Li extraction techniques, this is also the first time that a direct soft-chemical synthesis route towards a Li xCoPOmore » 4-type material is accomplished. X-ray and neutron diffraction studies indicate that Cmcm-type Li 0.5–δCoPO 4 shows vacancies on both the Li and Co sites, whereas X-ray absorption spectra demonstrate that the structure features heterovalent Co ions (+2/+3) to compensate for the Li deficit. Magnetic measurements reveal a long-range antiferromagnetic order below 10.5 K. A thorough investigation of the thermal stability using thermogravimetric analysis, differential scanning calorimetry, and temperature-dependent in situ X-ray powder diffraction demonstrates that Li 0.5–δCoPO 4 is metastable and exhibits a complex, multi-step thermal decomposition mechanism. In the first step at 394 °C, it decomposes to α-Co 2P 2O 7 ( P2 1/c) and LiCoPO 4 ( Cmcm) upon O 2 release. The LiCoPO 4 ( Cmcm) intermediate is then irreversibly transformed to olivine-type LiCoPO 4 (Pnma) at 686 °C. Furthermore, the material properties of Li 0.5–δCoPO 4 are further compared to the fully lithiated, isostructural LiCoPO 4 ( Cmcm) phase, for which an improved structure solution as well as Co L 2,3-edge X-ray absorption spectra are reported for the first time.« less

Direct synthesis and characterization of mixed-valent Li 0.5$-$δCoPO 4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO 4

DOE PAGES

Ludwig, Jennifer; Alarcon-Suesca, Carlos; Geprags, Stephan; ...

2017-05-26

While the majority of research activities on LiCoPO 4 is focussed on the thermodynamically stable olivine-type Pnma polymorph, the metastable Pna2 1 and Cmcm modifications have recently attracted considerable attention due to their interesting material properties. In this study, we present the first Li-deficient structural derivative of the Cmcm modification with the nominal composition Li 0.5–δCoPO 4. As opposed to the substoichiometric olivine ( Pnma) phases Li xCoPO 4 (x = 0; 2/3), which are exclusively accessible by electrochemical or chemical Li extraction techniques, this is also the first time that a direct soft-chemical synthesis route towards a Li xCoPOmore » 4-type material is accomplished. X-ray and neutron diffraction studies indicate that Cmcm-type Li 0.5–δCoPO 4 shows vacancies on both the Li and Co sites, whereas X-ray absorption spectra demonstrate that the structure features heterovalent Co ions (+2/+3) to compensate for the Li deficit. Magnetic measurements reveal a long-range antiferromagnetic order below 10.5 K. A thorough investigation of the thermal stability using thermogravimetric analysis, differential scanning calorimetry, and temperature-dependent in situ X-ray powder diffraction demonstrates that Li 0.5–δCoPO 4 is metastable and exhibits a complex, multi-step thermal decomposition mechanism. In the first step at 394 °C, it decomposes to α-Co 2P 2O 7 ( P2 1/c) and LiCoPO 4 ( Cmcm) upon O 2 release. The LiCoPO 4 ( Cmcm) intermediate is then irreversibly transformed to olivine-type LiCoPO 4 (Pnma) at 686 °C. Furthermore, the material properties of Li 0.5–δCoPO 4 are further compared to the fully lithiated, isostructural LiCoPO 4 ( Cmcm) phase, for which an improved structure solution as well as Co L 2,3-edge X-ray absorption spectra are reported for the first time.« less

Spontaneous Fluctuations of PO2 in the Rabbit Somatosensory Cortex.

PubMed

Linsenmeier, Robert A; Aksenov, Daniil P; Faber, Holden M; Makar, Peter; Wyrwicz, Alice M

2016-01-01

In many tissues, PO2 fluctuates spontaneously with amplitudes of a few mmHg. Here we further characterized these oscillations. PO2 recordings were made from the whisker barrel cortex of six rabbits with acutely or chronically placed polarographic electrodes. Measurements were made while rabbits were awake and while anesthetized with isoflurane, during air breathing, and during 100% oxygen inspiration. In awake rabbits, 90% of the power was between 0 and 20 cycles per minute (cpm), not uniformly distributed over this range, but with a peak frequently near 10 cpm. This was much slower than heart or respiratory rhythms and is similar to the frequency content observed in other tissues. During hyperoxia, total power was higher than during air-breathing, and the dominant frequencies tended to shift toward lower values (0-10 cpm). These observations suggest that at least the lower frequency fluctuations represent efforts by the circulation to regulate local PO2. There were no consistent changes in total power during 0.5 or 1.5% isoflurane anesthesia, but the power shifted to lower frequencies. Thus, both hyperoxia and anesthesia cause characteristic, but distinct, changes in spontaneous fluctuations. These PO2 fluctuations may be caused by vasomotion, but other factors cannot be ruled out.

pO(2) measurements by phosphorescence quenching: characteristics and applications of an automated system.

PubMed

Kerger, Heinz; Groth, Gesine; Kalenka, Armin; Vajkoczy, Peter; Tsai, Amy G; Intaglietta, Marcos

2003-01-01

An automated system for pO(2) analysis based upon phosphorescence quenching was tested. The system was calibrated in vitro with capillary samples of saline and blood. Results were compared to a conventional measuring procedure wherein pO(2) was calculated off-line by computer fitting of phosphorescence decay signals. PO(2) measurements obtained by the automated system were correlated (r(2) = 0.98) with readings simultaneously generated by a blood gas analyzer, accuracy being highest in the low (0-20 mm Hg) and medium pO(2) ranges (21-70 mm Hg). Measurements in in vivo studies in the hamster skin-fold preparation were similar to previously reported results. The automated system fits the phosphorescence decay data to a single exponential and allows repeated pO(2) measurements in rapid sequence.

Novel yellow-emitting Sr8MgLn(PO4)7:Eu2+ (Ln=Y, La) phosphors for applications in white LEDs with excellent color rendering index.

PubMed

Huang, Chien-Hao; Chen, Teng-Ming

2011-06-20

Eu(2+)-activated Sr(8)MgY(PO(4))(7) and Sr(8)MgLa(PO(4))(7) yellow-emitting phosphors were successfully synthesized by solid-state reactions for applications in excellent color rendering index white light-emitting diodes (LEDs). The excitation and reflectance spectra of these phosphors show broad band excitation and absorption in the 250-450 nm near-ultraviolet region, which is ascribed to the 4f(7) → 4f(6)5d(1) transitions of Eu(2+). Therefore, these phosphors meet the application requirements for near-UV LED chips. Upon excitation at 400 nm, the Sr(8)MgY(PO(4))(7):Eu(2+) and Sr(8)MgLa(PO(4))(7):Eu(2+) phosphors exhibit strong yellow emissions centered at 518, 610, and 611 nm with better thermal stability than (Ba,Sr)(2)SiO(4) (570 nm) commodity phosphors. The composition-optimized concentrations of Eu(2+) in Sr(8)MgLa(PO(4))(7):Eu(2+) and Sr(8)MgY(PO(4))(7):Eu(2+) phosphors were determined to be 0.01 and 0.03 mol, respectively. A warm white-light near-UV LED was fabricated using a near-UV 400 nm chip pumped by a phosphor blend of blue-emitting BaMgAl(10)O(17):Eu(2+) and yellow-emitting Sr(8)MgY(PO(4))(7):0.01Eu(2+) or Sr(8)MgLa(PO(4))(7):0.03Eu(2+), driven by a 350 mA current. The Sr(8)MgY(PO(4))(7):0.01Eu(2+) and Sr(8)MgLa(PO(4))(7):0.03Eu(2+) containing LEDs produced a white light with Commission International de I'Eclairage (CIE) chromaticity coordinates of (0.348, 0.357) and (0.365, 0.328), warm correlated color temperatures of 4705 and 4100 K, and excellent color rendering indices of 95.375 and 91.75, respectively. © 2011 American Chemical Society

Nurturing The STEM Pipeline: Graduate Student Leadership In NIRCam's Ongoing E/PO Mission For JWST

NASA Astrophysics Data System (ADS)

Schlingman, Wayne M.; Stock, N.; Teske, J.; Tyler, K.; Biller, B.; Donley, J.; Hedden, A.; Knierman, K.; Young, P.

2011-01-01

The Astronomy Camp for Girl Scout Leaders is an education and public outreach (E/PO) program offered by the science team of the Near-InfraRed Camera (NIRCam) for NASA's 6.5-meter James Webb Space Telescope (JWST). Since 2003, astronomy graduate students have helped design and lead biannual "Train the Trainer” workshops for adults from the Girl Scouts of the USA (GSUSA), engaging these trainers in the process of scientific inquiry and equipping them to host astronomy-related activities at the troop level. These workshops have helped revise the national GSUSA badge curriculum and directly benefitted thousands of young girls of all ages, not only in general science and math education but also in specific astronomical and technological concepts relating to JWST. To date, nine graduate students have become members of NIRCam's E/PO team. They have developed curriculum and activities used to teach concepts in stellar nucleosynthesis, lookback time, galaxy classification, etc. They have also contributed to the overall strategic approach and helped lead more general activities in basic astronomy (night sky, phases of the Moon, the scale of the Solar System and beyond, stars, galaxies, telescopes, etc.) as well as JWST-specific research areas in extrasolar planetary systems and cosmology, to pave the way for girls and women to understand the first images from JWST. The resulting experience has empowered these students to propose and to develop their own E/PO programs after graduation as postdocs and young faculty. They also continue as part of NIRCam's growing worldwide network of 160 trainers teaching young women essential STEM-related concepts using astronomy, the night sky environment, applied math, engineering, and critical thinking. NIRCam and its E/PO program are funded by NASA under contract NAS5-02105.

Success of Solar Dynamics Observatory (SDO) Education & Public Outreach (E/PO) in Montana

NASA Astrophysics Data System (ADS)

Freed, M. S.; Lowder, S. C.; McKenzie, D. E.

2013-03-01

The Space Public Outreach Team (SPOT) program at Montana State University (MSU) is the main component of SDO E/PO efforts in Montana. SPOT brings energetic presentations of recent science & NASA missions to students in primary & secondary schools. Presenters are university undergraduates that visit a diverse group of K-12 students from both rural & urban areas of Montana. This program is extremely cost effective, a valuable service-learning experience for undergraduates at MSU and has repeatedly received praise from both teachers and students. A complementary effort for training schoolteachers entitled NASA Education Activity Training (NEAT) is also employed. NEAT illustrates to teachers inexpensive and highly effective methods for demonstrating difficult science concepts to their students. We will highlight the successes and lessons learned from SPOT & NEAT, so that other E/PO programs can use it as a template to further science literacy in our nation's schools.

Engaging Scientists in Meaningful E/PO: How the NASA SMD E/PO Community Addresses the needs of Underrepresented Audiences through NASA Science4Girls and Their Families

NASA Astrophysics Data System (ADS)

Meinke, Bonnie K.; Smith, Denise A.; Bleacher, Lora; Hauck, Karin; Soeffing, Cassie; NASA SMD E/PO Community

2015-01-01

The NASA Astrophysics Science Education and Public Outreach Forum (SEPOF) coordinates the work of individual NASA Science Mission Directorate (SMD) Astrophysics EPO projects and their teams to bring the NASA science education resources and expertise to libraries nationwide. The Astrophysics Forum assists scientists and educators with becoming involved in SMD E/PO (which is uniquely poised to foster collaboration between scientists with content expertise and educators with pedagogy expertise) and makes SMD E/PO resources and expertise accessible to the science and education communities. The NASA Science4Girls and Their Families initiative partners NASA science education programs with public libraries to provide NASA-themed hands-on education activities for girls and their families. As such, the initiative engages girls in all four NASA science discipline areas (Astrophysics, Earth Science, Planetary Science, and Heliophysics), which enables audiences to experience the full range of NASA science topics and the different career skills each requires. The events focus on engaging this particular underserved and underrepresented audience in Science, Technology, Engineering, and Mathematics (STEM) via use of research-based best practices, collaborations with libraries, partnerships with local and national organizations, and remote engagement of audiences.

H2O2 rejuvenation-mediated synthesis of stable mixed-morphology Ag3PO4 photocatalysts.

PubMed

Agbe, Henry; Raza, Nadeem; Dodoo-Arhin, David; Chauhan, Aditya; Kumar, Ramachandran Vasant

2018-04-01

Ag 3 PO 4 photocatalyst has attracted interest of the scientific community in recent times due to its reported high efficiency for water oxidation and dye degradation. However, Ag 3 PO 4 photo-corrodes if electron accepter such as AgNO 3 is not used as scavenger. Synthesis of efficient Ag 3 PO 4 followed by a simple protocol for regeneration of the photocatalyst is therefore a prerequisite for practical application. Herein, we present a facile method for the synthesis of a highly efficient Ag 3 PO 4 , whose photocatalytic efficiency was demonstrated using 3 different organic dyes: Methylene Blue (MB), Methyl orange (MO) and Rhodamine B (RhB) organic dyes for degradation tests. Approximately, 19 % of Ag 3 PO 4 is converted to Ag 0 after 4.30 hours of continuous UV-Vis irradiation in presence of MB organic dye. We have shown that the Ag/Ag 3 PO 4 composite can be rejuvenated by a simple chemical oxidation step after several cycles of photocatalysis tests. At an optimal pH of 6.5, a mixture of cubic, rhombic dodecahedron, nanosphere and nanocrystals morphologies of the photocatalyst was formed. H 2 O 2 served as the chemical oxidant to re-insert the surface metallic Ag into the Ag 3 PO 4 photocatalyst but also as the agent that can control morphology of the regenerated as-prepared photocatalyst without the need for any other morphology controlling Agent (MCA). Surprisingly, the as- regenerated Ag 3 PO 4 was found to have higher photocatalytic reactivity than the freshly made material and superior at least 17 times in comparison with the conventional Degussa TiO 2 , and some of TiO 2 composites tested in this work.

Luminescence and energy transfer properties of Ca2Ba3(PO4)3Cl and Ca2Ba3(PO4)3Cl:A (A = Eu2+/Ce3+/Dy3+/Tb3+) under UV and low-voltage electron beam excitation.

PubMed

Shang, Mengmeng; Geng, Dongling; Yang, Dongmei; Kang, Xiaojiao; Zhang, Yang; Lin, Jun

2013-03-18

Pure Ca2Ba3(PO4)3Cl and rare earth ion (Eu(2+)/Ce(3+)/Dy(3+)/Tb(3+)) doped Ca2Ba3(PO4)3Cl phosphors with the apatite structure have been prepared via a Pechini-type sol-gel process. X-ray diffraction (XRD) and structure refinement, photoluminescence (PL) spectra, cathodoluminescence (CL) spectra, absolute quantum yield, as well as lifetimes were utilized to characterize samples. Under UV light excitation, the undoped Ca2Ba3(PO4)3Cl sample shows broad band photoluminescence centered near 480 nm after being reduced due to the defect structure. Eu(2+) and Ce(3+) ion doped Ca2Ba3(PO4)3Cl samples also show broad 5d → 4f transitions with cyan and blue colors and higher quantum yields (72% for Ca2Ba3(PO4)3Cl:0.04Eu(2+); 67% for Ca2Ba3(PO4)3Cl:0.016Ce(3+)). For Dy(3+) and Tb(3+) doped Ca2Ba3(PO4)3Cl samples, they give strong line emissions coming from 4f → 4f transitions. Moreover, the Ce(3+) ion can transfer its energy to the Tb(3+) ion in the Ca2Ba3(PO4)3Cl host, and the energy transfer mechanism has been demonstrated to be a resonant type, via a dipole-quadrupole interaction. However, under the low voltage electron beam excitation, Tb(3+) ion doped Ca2Ba3(PO4)3Cl samples present different luminescence properties compared with their PL spectra, which is ascribed to the different excitation mechanism. On the basis of the good PL and CL properties of the Ca2Ba3(PO4)3Cl:A (A = Ce(3+)/Eu(2+)/Tb(3+)/Dy(3+)), Ca2Ba3(PO4)3Cl might be promising for application in solid state lighting and field-emission displays.

Continuous arterial PO2 profiles in unrestrained, undisturbed aquatic turtles during routine behaviors

PubMed Central

Hicks, James W.

2016-01-01

ABSTRACT Mammals and birds maintain high arterial partial pressure of oxygen (PO2) values in order to preserve near-complete hemoglobin (Hb) oxygen (O2) saturation. In diving mammals and birds, arterial O2 follows a primarily monotonic decline and then recovers quickly after dives. In laboratory studies of submerged freshwater turtles, arterial O2 depletion typically follows a similar pattern. However, in these studies, turtles were disturbed, frequently tethered to external equipment and confined either to small tanks or breathing holes. Aquatic turtles can alter cardiac shunting patterns, which will affect arterial PO2 values. Consequently, little is known about arterial O2 regulation and use in undisturbed turtles. We conducted the first study to continuously measure arterial PO2 using implanted microelectrodes and a backpack logger in undisturbed red-eared sliders during routine activities. Arterial PO2 profiles during submergences varied dramatically, with no consistent patterns. Arterial PO2 was also lower than previously reported during all activities, with values rarely above 50 mmHg (85% Hb saturation). There was no difference in mean PO2 between five different activities: submerged resting, swimming, basking, resting at the surface and when a person was present. These results suggest significant cardiac shunting occurs during routine activities as well as submergences. However, the lack of relationship between PO2 and any activity suggests that cardiac shunts are not regulated to maintain high arterial PO2 values. These data support the idea that cardiac shunting is the passive by-product of regulation of vascular resistances by the autonomic nervous system. PMID:27618860

Vibrational spectroscopy of the phosphate mineral kovdorskite - Mg2PO4(OH)ṡ3H2O

NASA Astrophysics Data System (ADS)

Frost, Ray L.; López, Andrés; Xi, Yunfei; Granja, Amanda; Scholz, Ricardo; Lima, Rosa Malena Fernandes

2013-10-01

The mineral kovdorskite Mg2PO4(OH)ṡ3H2O was studied by electron microscopy, thermal analysis and vibrational spectroscopy. A comparison of the vibrational spectroscopy of kovdorskite is made with other magnesium bearing phosphate minerals and compounds. Electron probe analysis proves the mineral is very pure. The Raman spectrum is characterized by a band at 965 cm-1 attributed to the PO43- ν1 symmetric stretching mode. Raman bands at 1057 and 1089 cm-1 are attributed to the PO43- ν3 antisymmetric stretching modes. Raman bands at 412, 454 and 485 cm-1 are assigned to the PO43- ν2 bending modes. Raman bands at 536, 546 and 574 cm-1 are assigned to the PO43- ν4 bending modes. The Raman spectrum in the OH stretching region is dominated by a very sharp intense band at 3681 cm-1 assigned to the stretching vibration of OH units. Infrared bands observed at 2762, 2977, 3204, 3275 and 3394 cm-1 are attributed to water stretching bands. Vibrational spectroscopy shows that no carbonate bands are observed in the spectra; thus confirming the formula of the mineral as Mg2PO4(OH)ṡ3H2O.

Engaging Scientists in Meaningful E/PO: How the NASA SMD E/PO Community Addresses Informal Educators' Preferences for PD and Materials

NASA Astrophysics Data System (ADS)

Bartolone, Lindsay; Nelson, Andi; Smith, Denise A.; NASA SMD Astrophysics E/PO Community

2015-01-01

The NASA Astrophysics Science Education and Public Outreach Forum (SEPOF) coordinates the work of NASA Science Mission Directorate (SMD) Astrophysics EPO projects. These teams work together to capitalize on the cutting-edge discoveries of NASA Astrophysics missions to support educators in Science, Technology, Engineering, and Math (STEM) and to enable youth to engage in doing STEM inside and outside of school. The Astrophysics Forum assists scientists and educators with becoming involved in SMD E/PO, which is uniquely poised to foster collaboration between scientists with content expertise and educators with pedagogy expertise, and makes SMD E/PO resources and expertise accessible to the science and education communities. Informal educators participated in a recent nationally-distributed survey from the NASA SMD SEPOF Informal Education Working Group. The results show the preferences of staff from museums, parks, public libraries, community/afterschool centers, and others with regard to professional development and material resources. The results of the survey will be presented during this session.In addition, we present opportunities for the astronomy community to participate in collaborations supporting the NASA SMD efforts in K-12 Formal Education, Informal Science Education, and Outreach. These efforts focus on enhancing instruction, as well as youth and public engagement, in STEM via use of research-based best practices, collaborations with libraries, partnerships with local and national organizations, and remote engagement of audiences. The Forums' efforts for the Formal, Informal Science Education and Outreach communities include a literature review, appraisal of informal educators' needs, coordination of audience-based NASA resources and opportunities, professional development, plus support with the Next Generation Science Standards. Learn how to join in our collaborative efforts to support the K-12 Formal Education community and to reach the informal

Pitfalls and feedback when constructing topological pressure-temperature phase diagrams

NASA Astrophysics Data System (ADS)

Ceolin, R.; Toscani, S.; Rietveld, Ivo B.; Barrio, M.; Tamarit, J. Ll.

2017-04-01

The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, experimental complications quickly increase in the case of crystalline trimorphism (and higher order polymorphism). To ensure the accurate positioning of stable phase domains, a topological phase diagram needs to be consistent. This paper gives an example of how thermodynamic feedback can be used in the topological construction of phase diagrams to ensure overall consistency in a phase diagram based on the case of piracetam crystalline trimorphism.

Design of LaPO4:Nd3+ materials by using ionic liquids

NASA Astrophysics Data System (ADS)

Cybinska, J.; Guzik, M.; Lorbeer, C.; Zych, E.; Guyot, Y.; Boulon, G.; Mudring, A.-V.

2017-01-01

Monoclinic monazite-type Nd3+-doped lanthanum orthophosphate (LaPO4:Nd3+) nanoparticles were prepared by microwave treatment of simple lanthanide precursors such as Nd(OAc)3•xH2O, OAc = acetate) with task-specific dihydrogen phosphate ionic liquids (ILs) 1-butyl-1-methylpyrrolidinium dihydrogenphosphate- BmPyrH2PO4 (IL1) and 2-hydroxyethyl-N,N,N-trimethylammonium, [choline][H2PO4] (IL2) as the reaction medium, reactant and in-situ nanoparticle stabilizer. This synthesis route possesses many advantages as it is a fast and facile preparation method of the desired phosphate nanomaterials without the necessity for post-reaction heat treatment to obtain the anhydrous high temperature monazite phosphate phase. The nano-sized phosphors Nd3+:LaPO4 were carefully analyzed by the powder X-ray diffraction, electron microscopy and spectroscopic techniques taking advantage of the Nd3+ spectroscopic probe to analyze in detail the structural properties. Applied high resolution low temperature absorption and emission techniques allowed to complete the structural information unavailable from the XRD powder patterns. A clear influence of the used task-specific dihydrogen phosphate ILs on the structure, morphology, luminescence intensity and lifetimes of the obtained Nd3+:LaPO4 was found. It is worth noting that the Nd3+ luminescence in LaPO4 has never been reported up to now.

Facile One-Step Sonochemical Synthesis and Photocatalytic Properties of Graphene/Ag3PO4 Quantum Dots Composites

NASA Astrophysics Data System (ADS)

Reheman, Abulajiang; Tursun, Yalkunjan; Dilinuer, Talifu; Halidan, Maimaiti; Kadeer, Kuerbangnisha; Abulizi, Abulikemu

2018-03-01

In this study, a novel graphene/Ag3PO4 quantum dot (rGO/Ag3PO4 QD) composite was successfully synthesized via a facile one-step photo-ultrasonic-assisted reduction method for the first time. The composites were analyzed by various techniques. According to the obtained results, Ag3PO4 QDs with a size of 1-4 nm were uniformly dispersed on rGO nanosheets to form rGO/Ag3PO4 QD composites. The photocatalytic activity of rGO/Ag3PO4 QD composites was evaluated by the decomposition of methylene blue (MB). Meanwhile, effects of the surfactant dosage and the amount of rGO on the photocatalytic activity were also investigated. It was found that rGO/Ag3PO4 QDs (WrGO:Wcomposite = 2.3%) composite exhibited better photocatalytic activity and stability with degrading 97.5% of MB within 5 min. The improved photocatalytic activities and stabilities were majorly related to the synergistic effect between Ag3PO4 QDs and rGO with high specific surface area, which gave rise to efficient interfacial transfer of photogenerated electrons and holes on both materials. Moreover, possible formation and photocatalytic mechanisms of rGO/Ag3PO4 QDs were proposed. The obtained rGO/Ag3PO4 QDs photocatalysts would have great potentials in sewage treatment and water splitting.

Chemical stability of molten 2,4,6-trinitrotoluene at high pressure

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

Dattelbaum, Dana M., E-mail: danadat@lanl.gov; Chellappa, Raja S.; Bowden, Patrick R.

2014-01-13

2,4,6-trinitrotoluene (TNT) is a molecular explosive that exhibits chemical stability in the molten phase at ambient pressure. A combination of visual, spectroscopic, and structural (x-ray diffraction) methods coupled to high pressure, resistively heated diamond anvil cells was used to determine the melt and decomposition boundaries to >15 GPa. The chemical stability of molten TNT was found to be limited, existing in a small domain of pressure-temperature conditions below 2 GPa. Decomposition dominates the phase diagram at high temperatures beyond 6 GPa. From the calculated bulk temperature rise, we conclude that it is unlikely that TNT melts on its principal Hugoniot.

Kinetics of struvite to newberyite transformation in the precipitation system MgCl2-NH4H2PO4NaOH-H2O.

PubMed

Babić-Ivancić, Vesna; Kontrec, Jasminka; Brecević, Ljerka; Kralj, Damir

2006-10-01

The influence of the initial reactant concentrations on the composition of the solid phases formed in the precipitation system MgCl(2)-NH(4)H(2)PO(4)-NaOH-H(2)O was investigated. The precipitation diagram constructed shows the approximate concentration regions within which struvite, newberyite, and their mixtures exist at 25 degrees C and an aging time of 60 min. It was found that immediately after mixing the reactant solutions, struvite (MgNH(4)PO(4).6H(2)O) precipitated in nearly the whole concentration area, while newberyite (MgHPO(4).3H(2)O) appeared mostly within the region of the excess of magnesium concentration. It was also found that after aging time of 60 min the precipitation domain of struvite alone is much broader than that of newberyite or the domain of their coexistence, and shows that struvite is more abundant in the systems in which the initial concentration of ammonium phosphate is higher than that of magnesium. The kinetics of struvite to newberyite transformation (conversion) was systematically studied under the conditions of different initial reactant concentrations and different initial pH in the systems in which a mixture of both phases precipitated spontaneously. The struvite to newberyite conversion period was found to be strongly related to the ratio of initial supersaturations, S(N)/S(S), rather than to the any particular physical quantity that can describe and predict the behavior of the precipitation system. Experimental data suggest a solution-mediated process as a most possible transformation mechanism. Along with a continuous monitoring of the changes in the liquid phase, the content of struvite in the solid phase was estimated by means of a Fourier transform infrared (FT-IR) method, developed for this particular precipitation system.

Ab-initio Calculation of the XANES of Lithium Phosphates and LiFePO4

NASA Astrophysics Data System (ADS)

Yiu, Y. M.; Yang, Songlan; Wang, Dongniu; Sun, Xueliang; Sham, T. K.

2013-04-01

Lithium iron phosphate has been regarded as a promising cathode material for the next generation lithium ion batteries due to its high specific capacity, superior thermal and cyclic stability [1]. In this study, the XANES (X-ray Absorption Near Edge Structure) spectra of lithium iron phosphate and lithium phosphates of various compositions at the Li K, P L3,2, Fe M3,2 and O K-edges have been simulated self-consistently using ab-initio calculations based on multiple scattering theory (the FEFF9 code) and DFT (Density Functional Theory, the Wien2k code). The lithium phosphates under investigation include LiFePO4, γ-Li3PO4, Li4P2O7 and LiPO3. The calculated spectra are compared to the experimental XANES recorded in total electron yield (TEY) and fluorescence yield (FLY). This work was carried out to assess the XANES of possible phases presented in LiFePO4 based Li ion battery applications [2].

Na3.4Zr1.8Mg0.2Si2PO12 filled poly(ethylene oxide)/Na(CF3SO2)2N as flexible composite polymer electrolyte for solid-state sodium batteries

NASA Astrophysics Data System (ADS)

Zhang, Zhizhen; Xu, Kaiqi; Rong, Xiaohui; Hu, Yong-Sheng; Li, Hong; Huang, Xuejie; Chen, Liquan

2017-12-01

Solid electrolytes with high ionic conductivity and excellent electrochemical stability are of prime significance to enable the application of solid-state batteries in energy storage and conversion. In this study, solid composite polymer electrolytes (CPEs) based on sodium bis(trifluorosulfonyl) imide (NaTFSI) and poly (ethylene oxide) (PEO) incorporated with active ceramic filler (NASICON) are reported for the first time. With the addition of NASICON fillers, the thermal stability and electrochemical stability of the CPEs are improved. A high conductivity of 2.8 mS/cm (at 80 °C) is readily achieved when the content of the NASICON filler in the composite polymer reaches 50 wt%. Furthermore, Na3V2(PO4)3/CPE/Na solid-state batteries using this composite electrolyte display good rate and excellent cycle performance.

Manifestation of hopping conductivity and granularity within phase diagrams of LaO1-x F x BiS2, Sr1-x La x FBiS2 and related BiS2-based compounds

NASA Astrophysics Data System (ADS)

Arouca, R.; Silva Neto, M. B.; Chaves, C. M.; Nagao, M.; Watauchi, S.; Tanaka, I.; ElMassalami, M.

2017-09-01

Layered BiS 2 -based series, such as LaO 1-x F x BiS 2 and Sr 1-x La x FBiS 2 , offer ideal examples for studying normal and superconducting phase diagram of a solid solution that evolves from a nonmagnetic band-insulator parent. We constructed typical x-T phase diagrams of these systems based on events occurring in thermal evolution of their electrical resistivity, ρ(x, T) . Overall evolution of these diagrams can be rationalized in terms of (i) Mott-Efros-Shklovskii scenario which, within the semiconducting x regime (x_MIT = Mott metal-insulator transition), describes the doping influence on the thermally activated hopping conductivity. (ii) A granular metal (superconductor) scenario which, within x_MIT< x < x_solubility , describes the evolution of normal and superconducting properties in terms of conductance g, Coulomb charging energy E c and Josephson coupling J; their joint influence is usually captured within a g-\\frac{gE_c}{J}-T phase diagram. Based on analysis of the granular character of ρ(x, T) , we converted the x-T diagrams into projected g - T diagrams which, being fundamental, allow a better understanding of evolution of various granular-related properties (in particular the hallmarks of normal-state \\partialρ/\\partial T<0 feature and superconductor-insulator transition) and how such properties are influenced by x, pressure or heat treatment.

State-specific approach and computation of resonance states: Identification and properties of the lowest 2Po and 2D triply excited states of He-

NASA Astrophysics Data System (ADS)

Nicolaides, Cleanthes A.; Piangos, Nicos A.

2001-11-01

We discuss aspects of the theory and computation of resonance (autoionizing) states of polyelectronic atoms and their positive and negative ions, in the context of the state-specific approach, using as paradigms the He-2s22p 2Po and 2s2p2 2D triply excited states. The He- 2D resonance has been the subject of controversy about its nature and its very existence, with ramifications as to the physics of electron-He scattering measurements and as to the theory of resonance states in multiparticle systems in general. By carrying out a series of computations, we show how (quasi)localization of these resonances takes place. The results confirm the existence of the 2D resonance just below the energy of the He 2s2p 3Po resonance, with which it overlaps. The localization of the two He- resonances is achieved already at the single-configuration level, provided the orbitals are calculated by solving state-specific restricted Hartree-Fock (HF) equations. Accounting for orbital flexibility and relaxation due to the self-consistent interactions is essential to the achievement of a local energy minimum. The localized nature of the wavepacket is revealed even more definitely by solving appropriate multiconfigurational HF (MCHF) equations containing the information from the self-consistent interaction with closed channels as well as with the neighboring significant open ones. Reaching a reliable MCHF solution for a variety of polyelectronic multiply excited states may often be difficult, but once it is achieved it provides the overwhelmingly dominant characteristics of the state. It is then used as the reference wave function for computing variationally the remaining of the localized electron correlation in terms of optimized analytic orbitals representing very nearly the full space of the electron virtual excitations. The calculation of the localized part Ψ0 and of E0=<Ψ0/H/Ψ0>, is done by nonorthonormal configuration interaction (NONCI) since parts of Ψ0 are optimized

Vibrational spectroscopy of the phosphate mineral lazulite--(Mg, Fe)Al2(PO4)2·(OH)2 found in the Minas Gerais, Brazil.

PubMed

Frost, Ray L; Xi, Yunfei; Beganovic, Martina; Belotti, Fernanda Maria; Scholz, Ricardo

2013-04-15

This research was done on lazulite samples from the Gentil mine, a lithium bearing pegmatite located in the municipality of Mendes Pimentel, Minas Gerais, Brazil. Chemical analysis was carried out by electron microprobe analysis and indicated a magnesium rich phase with partial substitution of iron. Traces of Ca and Mn, (which partially replaced Mg) were found. The calculated chemical formula of the studied sample is: (Mg0.88, Fe0.11)Al1.87(PO4)2.08(OH)2.02. The Raman spectrum of lazulite is dominated by an intense sharp band at 1060 cm(-1) assigned to PO stretching vibrations of of tetrahedral [PO4] clusters presents into the HPO4(2-) units. Two Raman bands at 1102 and 1137 cm(-1) are attributed to both the HOP and PO antisymmetric stretching vibrations. The two infrared bands at 997 and 1007 cm(-1) are attributed to the ν1PO4(3-) symmetric stretching modes. The intense bands at 1035, 1054, 1081, 1118 and 1154 cm(-1) are assigned to the ν3PO4(3-) antisymmetric stretching modes from both the HOP and tetrahedral [PO4] clusters. A set of Raman bands at 605, 613, 633 and 648 cm(-1) are assigned to the ν4 out of plane bending modes of the PO4, HPO4 and H2PO4 units. Raman bands observed at 414, 425, 460, and 479 cm(-1) are attributed to the ν2 tetrahedral PO4 clusters, HPO4 and H2PO4 bending modes. The intense Raman band at 3402 and the infrared band at 3403 cm(-1) are assigned to the stretching vibration of the OH units. A combination of Raman and infrared spectroscopy enabled aspects of the molecular structure of the mineral lazulite to be understood. Copyright © 2013 Elsevier B.V. All rights reserved.

P-T phase diagram and structural transformations of molten P2O5 under pressure

NASA Astrophysics Data System (ADS)

Brazhkin, V. V.; Katayama, Y.; Lyapin, A. G.; Saitoh, H.

2014-03-01

The P2O5 compound is an archetypical glass-forming oxide with a record high hygroscopicity, which makes its study extremely difficult. We present the in situ x-ray diffraction study of the pressure-temperature phase diagram of P2O5 and, particularly, of the liquid P2O5 structure under high pressure up to 10 GPa. Additionally, quenching from the melt has been used to extend the melting curve up to 15 GPa. We found that structural transformation in the liquid P2O5 under pressure is unique and includes three stages: first, the disappearance of the intermediate range order of the melt together with a slow increase in the average first-coordination number (P-O and O-P neighbors) up to 4 GPa; second, the "normal" compression almost without structural modification at higher pressures up to 8-9 GPa; and, finally, the abrupt change of the short-range order structure of the liquid with the jumplike increase at 9-10 GPa. The last stage correlates with the melting curve maximum (≈1250 °C) at ≈10 GPa and can be interpreted as a transformation to the liquid phase with entirely fivefold-coordinated phosphorus and twofold-coordinated oxygen atoms.

Synthesis and Structural, Electrical, and Magnetic Properties of New Iron-Aluminum Alluaudite Phases β-Na2Ni2M(PO4)3 (M = Fe and Al).

PubMed

Harbaoui, Douha; Sanad, Moustafa M S; Rossignol, Cécile; Hlil, El Kebir; Amdouni, Noureddine; Obbade, Saïd

2017-11-06

Herein we report the studies of different physical properties (structural, magnetic, thermal, morphologic, electrical, and electrochemical) of two new allotropic β-Na 2 Ni 2 M(PO 4 ) 3 (NNMP) phosphates, with M = Fe and Al. Pure orthorhombic single-phase powders were prepared under air, using an autocombustion synthesis method. They crystallize in the orthorhombic Imma space group with similar unit cell parameters [a = 10.1592(2), b = 13.0321(3), c = 6.4864(2) Å] and [a = 10.3993(1), b = 13.1966(1), c = 6.4955(1) Å] for β-Na 2 Ni 2 M(PO 4 ) 3 (NNAP) and β-Na 2 Ni 2 Fe(PO 4 ) 3 (NNFP), respectively. Crystal structures of both compounds were determined using X-ray powder diffraction and Rietveld method refinements, which indicate the occurrence of Ni 2+ in the 8g site, and of M 3+ in the 4a site of the structure. The structure consists of a three-dimensional anionic framework obtained by the association on MO 6 , NiO 6 , and PO 4 polyhedra, sharing edges and corners. The resulting three-dimensional structure creates monodimensional channels along the [100] and [010] directions formed by face-shared oxygen polyhedra and occupied by Na + cations. This nondisordered cationic distribution is confirmed by a significant change of magnetic properties. Thus, both NNAP and NNFP samples show paramagnetic to ferromagnetic transition at 14 and 19 K, respectively. For the two compounds, thermal stability, electrical conductivity, and electrochemical properties have been also investigated. The intercalation/desintercalation properties of NNMP compounds as positive electrode were tested in sodium-ion batteries. The first cycling curves exhibit a significant polarization for both prepared samples.

Special hydrogen bonds observed in two monovalent metal carboxylate-phosphinates: {NaH(Phsbnd PO2sbnd C2H4sbnd COOH)2}∞ and {[KH(Phsbnd PO2sbnd C2H4sbnd COOH)2]·H2O}∞

NASA Astrophysics Data System (ADS)

Zhao, Cui-Cui; Zhang, Jian-Wei; Zhou, Zhong-Gao; Du, Zi-Yi

2013-02-01

The addition of strong base such as sodium hydroxide or potassium hydroxide to the aqueous solution of (2-carboxyethyl)(phenyl)phosphinic acid afforded two novel monovalent metal carboxylate-phosphinates, namely, {NaH(Phsbnd PO2sbnd C2H4sbnd COOH)2}∞ (1) and {[KH(Phsbnd PO2sbnd C2H4sbnd COOH)2]·H2O}∞ (2). They represent the first examples of phosphinate containing short, symmetric or almost symmetric O⋯H⋯O hydrogen bonds.

Prognostic aspects of TcPO2 in iloprost treatment as an alternative to amputation.

PubMed

Chomard, D; Habault, P; Ledemeney, M; Haon, C

1999-04-01

To help in determining management strategy as an alternative to amputation by using a synthetic prostacycline, a preliminary study was undertaken in 12 patients (11 men and one woman), with a mean age of 71.08 years, ie, 13 limbs evaluated at the stage of amputation. All patients were treated with a combination of iloprost and physical therapy (massage, specific exercises, cardiorespiratory training). Static transcutaneous oxygen pressure (TcPO2) was measured, with a sensitization test by verticalization and inhalation of oxygen, on day (D) D0, D15, D28, D60, D180, and D365. Results were analyzed in absolute terms and by tissue oxygenation ratio (TOR) (ratio between absolute values of TcPO2 in the foot and those of a reference chest electrode). Supine TOR and vertical TOR, with values of 36.67 and 65.08, respectively, appeared to be significantly linked to the variable "preservation of limb". At 1 year, seven limbs were preserved (53.85%) while amputation had been scheduled for all the patients treated. Evidence was found in all patients who kept their limb of stability (7.69%) and a decrease in (30.77%) or disappearance of pain (15.38%) at 1 year.

High pressure experimental studies on Na3Fe(PO4)(CO3) and Na3Mn(PO4)(CO3): Extensive pressure behaviors of carbonophosphates family

NASA Astrophysics Data System (ADS)

Gao, Jing; Huang, Weifeng; Wu, Xiang; Qin, Shan

2018-04-01

Carbon-bearing phases in the Earth's interior have profound implications for the long-term Earth carbon cycle. Here we investigate high-pressure behaviors of carbonophosphates bonshtedtite Na3Fe(PO4)(CO3) and sidorenkite Na3Mn(PO4)(CO3) in diamond anvil cells up to ∼12 GPa at room temperature. Modifications in in situ synchrotron X-ray diffraction patterns and Raman spectra confirm the structural stability of carbonophosphates within the pressure region. Fitting the third-order Birch-Murnaghan equation of state to the volume compression curve, the isothermal bulk modulus parameters are obtained to be K0 = 56(1) GPa, K0' = 3.3(1), V0 = 303.3(3) Å3 for Na3Fe(PO4)(CO3) and K0 = 54(1) GPa, K0' = 3.4(1), V0 = 313.4(2) Å3 for Na3Mn(PO4)(CO3). Crystallographic axes exhibit an elastic anisotropy with a more compressible c-axis relative to the ab-plane. An inverse linear correlation between the K0 value and the ionic radius of M2+ (M = Mg, Fe, Mn) is well determined for carbonophosphates. The pressure-dependence responsiveness of [PO4] and [CO3] in carbonophosphates show a negative relationship to the M2+ radius. We also discussed the effect of [PO4] group on the structural variations and high-pressure behaviors of carbonates. Furthermore, the geochemical properties of carbonophosphates hold implications to diamond genesis.

Improvement of the mechanical properties and corrosion resistance of biodegradable β-Ca3(PO4)2/Mg-Zn composites prepared by powder metallurgy: the adding β-Ca3(PO4)2, hot extrusion and aging treatment.

PubMed

Yan, Yang; Kang, Yijun; Li, Ding; Yu, Kun; Xiao, Tao; Deng, Youwen; Dai, Han; Dai, Yilong; Xiong, Hanqing; Fang, Hongjie

2017-05-01

In this study, 10%β-Ca 3 (PO 4 ) 2 /Mg-6%Zn (wt.%) composites with Mg-6%Zn alloy as control were prepared by powder metallurgy. After hot extrusion, the as-extruded composites were aged for 72h at 150°C. The effects of the adding β-Ca 3 (PO 4 ) 2 , hot extrusion and aging treatment on their microstructure, mechanical properties and corrosion resistance were investigated. The XRD results identified α-Mg, MgZn phase and β-Ca 3 (PO 4 ) 2 phase in these composites. After hot extrusion, grains were significantly refined, and the larger-sized β-Ca 3 (PO 4 ) 2 particles and coarse MgZn phases were broken into linear-distributed β-Ca 3 (PO 4 ) 2 and MgZn phases along the extrusion direction. After aging treatment, the elements of Zn, Ca, P and O presented a more homogeneous distribution. The compressive strengths of the β-Ca 3 (PO 4 ) 2 /Mg-Zn composites were approximately double those of natural bone, and their densities and elastic moduli matched those of natural bone. The immersion tests and electrochemical tests revealed that the adding β-Ca 3 (PO 4 ) 2 , hot extrusion and aging treatment could promote the formation of protective corrosion product layer on the sample surface in Ringer's solution, which improved corrosion resistance of the β-Ca 3 (PO 4 ) 2 /Mg-Zn composites. The XRD results indicated that the corrosion product layer contained Mg(OH) 2 , β-Ca 3 (PO 4 ) 2 and hydroxyapatite (HA). The cytotoxicity assessments showed the as-extruded β-Ca 3 (PO 4 ) 2 /Mg-Zn composite aged for 72h was harmless to L-929 cells. These results suggested that the β-Ca 3 (PO 4 ) 2 /Mg-Zn composites prepared by powder metallurgy were promising to be used for bone tissue engineering. Copyright © 2017 Elsevier B.V. All rights reserved.

21 CFR 868.1200 - Indwelling blood oxygen partial pressure (PO2) analyzer.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Indwelling blood oxygen partial pressure (PO2... Indwelling blood oxygen partial pressure (PO2) analyzer. (a) Identification. An indwelling blood oxygen... electrode) and that is used to measure, in vivo, the partial pressure of oxygen in blood to aid in...

21 CFR 868.1200 - Indwelling blood oxygen partial pressure (PO2) analyzer.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Indwelling blood oxygen partial pressure (PO2... Indwelling blood oxygen partial pressure (PO2) analyzer. (a) Identification. An indwelling blood oxygen... electrode) and that is used to measure, in vivo, the partial pressure of oxygen in blood to aid in...

21 CFR 868.1200 - Indwelling blood oxygen partial pressure (PO2) analyzer.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Indwelling blood oxygen partial pressure (PO2... Indwelling blood oxygen partial pressure (PO2) analyzer. (a) Identification. An indwelling blood oxygen... electrode) and that is used to measure, in vivo, the partial pressure of oxygen in blood to aid in...

21 CFR 868.1200 - Indwelling blood oxygen partial pressure (PO2) analyzer.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Indwelling blood oxygen partial pressure (PO2... Indwelling blood oxygen partial pressure (PO2) analyzer. (a) Identification. An indwelling blood oxygen... electrode) and that is used to measure, in vivo, the partial pressure of oxygen in blood to aid in...

21 CFR 868.1200 - Indwelling blood oxygen partial pressure (PO2) analyzer.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Indwelling blood oxygen partial pressure (PO2... Indwelling blood oxygen partial pressure (PO2) analyzer. (a) Identification. An indwelling blood oxygen... electrode) and that is used to measure, in vivo, the partial pressure of oxygen in blood to aid in...

An impressive approach to solving the ongoing stability problems of LiCoPO4 cathode: Nickel oxide surface modification with excellent core-shell principle

NASA Astrophysics Data System (ADS)

Örnek, Ahmet

2017-07-01

Nanoscale and NiO-coated LiCoPO4 cathode materials were prepared for the first time by a newly designed three-step synthesis route, which is a combined technique including advantages of the Stöber, hydrothermal and microwave synthesis methods. Using this extraordinary technique, LiCoPO4 particles are coated with a thin NiO layer with a perfect core-shell morphology and the technique's positive contribution to electrochemistry is elucidated in detail. The samples are interpreted using opto-analytical techniques and galvanostatic charge-discharge tests. The high-resolution transmission electron microscopy analysis proves that this well-elaborated technique makes it possible to achieve a continuous NiO surface coverage of 8-10 nm, a result that contributes towards solving the chronic electrochemical problems of 4.8 V cathode material. Our data reveal that NiO-coated LiCoPO4 cathode demonstrates superior cycle stability and specific capacity at relatively low rates. The 2.5% wt. NiO-coated cathode exhibits the best electrochemical property, which reaches a discharge capacity of 159 mAh g-1 at 0.l C current rate and shows almost 85% capacity retention after 80 charge-discharge cycles. It therefore achieves partial success in improving the electrochemical properties of the LiCoPO4 cathode material, which is especially crucial for energy storage to be applied in electric vehicles and plug-in hybrid electric applications.

Na3Tb(PO4)2: Synthesis, crystal structure and greenish emitting properties

NASA Astrophysics Data System (ADS)

Zhao, Dan; Ma, Zhao; Liu, Bao-Zhong; Zhang, Rui-Juan; Wu, Zhi-Qiang; Wang, Jian; Duan, Pei-Gao

2018-03-01

A anhydrous orthoborate Na3Tb(PO4)2 has been prepared and its crystal structure was determined by X-Ray diffraction of a non-merohedral twinned single crystal. The results show that the compound crystallizes in monoclinic space group C2/c and the structure features a 3D framework containing PO4, NaO6, NaO7, NaO8 and TbO8 polyhedra. Under near-UV excitation (370 nm), Na3Tb(PO4)2 shows intense characteristic emission bands of Tb3+ (490 nm, 543 nm, 585 nm and 620 nm) with the CIE coordinate of (0.3062, 0.5901), corresponding to greenish color. The excitation spectrum covers a wide range from 340 nm to 390 nm, which indicates that phosphor Na3Tb(PO4)2 can be efficiently activated by near-UV LED ship.

Advanced carbon materials/olivine LiFePO4 composites cathode for lithium ion batteries

NASA Astrophysics Data System (ADS)

Gong, Chunli; Xue, Zhigang; Wen, Sheng; Ye, Yunsheng; Xie, Xiaolin

2016-06-01

In the past two decades, LiFePO4 has undoubtly become a competitive candidate for the cathode material of the next-generation LIBs due to its abundant resources, low toxicity and excellent thermal stability, etc. However, the poor electronic conductivity as well as low lithium ion diffusion rate are the two major drawbacks for the commercial applications of LiFePO4 especially in the power energy field. The introduction of highly graphitized advanced carbon materials, which also possess high electronic conductivity, superior specific surface area and excellent structural stability, into LiFePO4 offers a better way to resolve the issue of limited rate performance caused by the two obstacles when compared with traditional carbon materials. In this review, we focus on advanced carbon materials such as one-dimensional (1D) carbon (carbon nanotubes and carbon fibers), two-dimensional (2D) carbon (graphene, graphene oxide and reduced graphene oxide) and three-dimensional (3D) carbon (carbon nanotubes array and 3D graphene skeleton), modified LiFePO4 for high power lithium ion batteries. The preparation strategies, structure, and electrochemical performance of advanced carbon/LiFePO4 composite are summarized and discussed in detail. The problems encountered in its application and the future development of this composite are also discussed.

Elementary diagrams in nuclear and neutron matter

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

Wiringa, R.B.

1995-08-01

Variational calculations of nuclear and neutron matter are currently performed using a diagrammatic cluster expansion with the aid of nonlinear integral equations for evaluating expectation values. These are the Fermi hypernetted chain (FHNC) and single-operator chain (SOC) equations, which are a way of doing partial diagram summations to infinite order. A more complete summation can be made by adding elementary diagrams to the procedure. The simplest elementary diagrams appear at the four-body cluster level; there is one such E{sub 4} diagram in Bose systems, but 35 diagrams in Fermi systems, which gives a level of approximation called FHNC/4. We developedmore » a novel technique for evaluating these diagrams, by computing and storing 6 three-point functions, S{sub xyz}(r{sub 12}, r{sub 13}, r{sub 23}), where xyz (= ccd, cce, ddd, dde, dee, or eee) denotes the exchange character at the vertices 1, 2, and 3. All 35 Fermi E{sub 4} diagrams can be constructed from these 6 functions and other two-point functions that are already calculated. The elementary diagrams are known to be important in some systems like liquid {sup 3}He. We expect them to be small in nuclear matter at normal density, but they might become significant at higher densities appropriate for neutron star calculations. This year we programmed the FHNC/4 contributions to the energy and tested them in a number of simple model cases, including liquid {sup 3}He and Bethe`s homework problem. We get reasonable, but not exact agreement with earlier published work. In nuclear and neutron matter with the Argonne v{sub 14} interaction these contributions are indeed small corrections at normal density and grow to only 5-10 MeV/nucleon at 5 times normal density.« less

High-pressure phase diagrams of liquid CO2 and N2

NASA Astrophysics Data System (ADS)

Boates, Brian; Bonev, Stanimir

2011-06-01

The phase diagrams of liquid CO2 and N2 have been investigated using first-principles theory. Both materials exhibit transitions to conducting liquids at high temperatures (T) and relatively modest pressures (P). Furthermore, both liquids undergo polymerization phase transitions at pressures comparable to their solid counterparts. The liquid phase diagrams have been divided into several regimes through a detailed analysis of changes in bonding, as well as structural and electronic properties for pressures and temperatures up to 200 GPa and 10 000 K, respectively. Similarities and differences between the high- P and T behavior of these fluids will be discussed. Calculations of the Hugoniot are in excellent agreement with available experimental data. Work supported by NSERC, LLNL, and the Killam Trusts. Prepared by LLNL under Contract DE-AC52-07NA27344.

Properties and Crystallization Phenomena in Li2Si2O5-Ca5(PO4)3F and Li2Si2O5-Sr5(PO4)3F Glass-Ceramics Via Twofold Internal Crystallization.

PubMed

Rampf, Markus; Dittmer, Marc; Ritzberger, Christian; Schweiger, Marcel; Höland, Wolfram

2015-01-01

The combination of specific mechanical, esthetic, and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass-ceramic materials. The present study outlines the potential of precipitating Ca5(PO4)3F as well as Sr5(PO4)3F as minor crystal phases in Li2Si2O5 glass-ceramics. Base glasses with different contents of CaO/SrO, P2O5, and F(-) were prepared within the glasses of the SiO2-Li2O-K2O-CaO/SrO-Al2O3-P2O5-F system. Preliminary studies of nucleation by means of XRD and scanning electron microscopy (SEM) of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass-ceramics was established. The microstructures of the glass-ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass-ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO4)3F and Sr5(PO4)3F influence the translucency of the glass-ceramics and, hence, help to precisely tailor the properties of Li2Si2O5 glass-ceramics. The authors conclude that the twofold crystallization of Li2Si2O5-Ca5(PO4)3F or Li2Si2O5-Sr5(PO4)3F glass-ceramics involves independent solid-state reactions, which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass-ceramics and, hence, displays new potential for dental applications.

Ionothermal synthesis, crystal structure, and magnetic study of Co2PO4OH isostructural with caminite.

PubMed

Wang, Guangmei; Valldor, Martin; Spielberg, Eike T; Mudring, Anja-Verena

2014-03-17

A new framework cobalt(II) hydroxyl phosphate, Co2PO4OH, was prepared by ionothermal synthesis using 1-butyl-4-methyl-pyridinium hexafluorophosphate as the ionic liquid. As the formation of Co2PO4F competes in the synthesis, the synthesis conditions have to be judiciously chosen to obtain well-crystallized, single phase Co2PO4OH. Single-crystal X-ray diffraction analyses reveal Co2PO4OH crystallizes with space group I41/amd (a = b = 5.2713(7) Å, c = 12.907(3) Å, V = 358.63(10) Å(3), and Z = 4). Astonishingly, it does not crystallize isotypically with Co2PO4F but rather isotypically with the hydroxyl minerals caminite Mg1.33[SO4(OH)0.66(H2O)0.33] and lipscombite Fe(2–y)PO4(OH) (0 ≤ y ≤ 2/3). Phosphate tetrahedra groups interconnect four rod-packed face-sharing ∞(1){CoO(6/2)} octahedra chains to form a three-dimensional framework structure. The compound Co2PO4OH was further characterized by powder X-ray diffraction, Fourier transform–infrared, and ultraviolet–visible spectroscopy, confirming the discussed structure. The magnetic measurement reveals that Co2PO4OH undergoes a magnetic transition and presents at low temperatures a canted antiferromagnetic spin order in the ground state.

Equilibrium p-T Phase Diagram of Boron: Experimental Study and Thermodynamic Analysis

PubMed Central

Solozhenko, Vladimir L.; Kurakevych, Oleksandr O.

2013-01-01

Solid-state phase transformations and melting of high-purity crystalline boron have been in situ and ex situ studied at pressures to 20 GPa in the 1500–2500 K temperature range where diffusion processes become fast and lead to formation of thermodynamically stable phases. The equilibrium phase diagram of boron has been constructed based on thermodynamic analysis of experimental and literature data. The high-temperature part of the diagram contains p-T domains of thermodynamic stability of rhombohedral β-B106, orthorhombic γ-B28, pseudo-cubic (tetragonal) t'-B52, and liquid boron (L). The positions of two triple points have been experimentally estimated, i.e. β–t'–L at ~ 8.0 GPa and ~ 2490 K; and β–γ–t' at ~ 9.6 GPa and ~ 2230 K. Finally, the proposed phase diagram explains all thermodynamic aspects of boron allotropy and significantly improves our understanding of the fifth element. PMID:23912523

The Solar Dynamics Observatory (SDO) Education and Outreach (E/PO) Program: Changing Perceptions One Program at a Time

NASA Technical Reports Server (NTRS)

Drobnes, Emilie; Littleton, A.; Pesnell, William D.; Beck, K.; Buhr, S.; Durscher, R.; Hill, S.; McCaffrey, M.; McKenzie, D. E.; Myers, D.;

Continuous flame aerosol synthesis of carbon-coated nano-LiFePO4 for Li-ion batteries

PubMed Central

Waser, Oliver; Büchel, Robert; Hintennach, Andreas; Novák, Petr; Pratsinis, Sotiris E.

2013-01-01

Core-shell, nanosized LiFePO4-carbon particles were made in one step by scalable flame aerosol technology at 7 g/h. Core LiFePO4 particles were made in an enclosed flame spray pyrolysis (FSP) unit and were coated in-situ downstream by auto thermal carbonization (pyrolysis) of swirl-fed C2H2 in an O2-controlled atmosphere. The formation of acetylene carbon black (ACB) shell was investigated as a function of the process fuel-oxidant equivalence ratio (EQR). The core-shell morphology was obtained at slightly fuel-rich conditions (1.0 < EQR < 1.07) whereas segregated ACB and LiFePO4 particles were formed at fuel-lean conditions (0.8 < EQR < 1). Post-annealing of core-shell particles in reducing environment (5 vol% H2 in argon) at 700 °C for up to 4 hours established phase pure, monocrystalline LiFePO4 with a crystal size of 65 nm and 30 wt% ACB content. Uncoated LiFePO4 or segregated LiFePO4-ACB grew to 250 nm at these conditions. Annealing at 800 °C induced carbothermal reduction of LiFePO4 to Fe2P by ACB shell consumption that resulted in cavities between carbon shell and core LiFePO4 and even slight LiFePO4 crystal growth but better electrochemical performance. The present carbon-coated LiFePO4 showed superior cycle stability and higher rate capability than the benchmark, commercially available LiFePO4. PMID:23407817

Synthesis of cage-like LiFePO4/C microspheres for high performance lithium ion batteries

NASA Astrophysics Data System (ADS)

Deng, Honggui; Jin, Shuangling; Zhan, Liang; Wang, Yanli; Qiao, Wenming; Ling, Licheng

2012-12-01

Cage-like LiFePO4 microspheres are synthesized by a solvothermal reaction-calcination process, using Fe(NO3)3·9H2O as iron source and ethylene glycol/water as co-solvent medium. The microsphere is the assembly of LiFePO4 nanoparticles with an open porous structure, thus the carbon coating can be easily introduced on the surface of the nanoparticles by the chemical vapor deposition of C2H4 during calcination process. When used as the cathode materials for the lithium-ion batteries, the resultant cage-like LiFePO4/C microsphere shows high capacity and good cycle stability (160 mAh g-1 at 0.1 C over 300 cycles), as well as good rate capability (120 mAh g-1 at 10 C). The desirable electrochemical performance can be attributed to high rate of ionic/electronic conduction and the high structural stability arising from the interconnected open pores, carbon-coated nanoparticles and microsized structure.

The influence of Na + and Ca 2+ ions on the SiO 2-AlPO 4 materials structure — IR and Raman studies

NASA Astrophysics Data System (ADS)

Rokita, M.; Mozgawa, W.; Handke, M.

2001-09-01

The series of samples containing 0-20 mol% of NaCaPO4 and 20-0 mol% of AlPO4, respectively, with the constant amount of SiO2 (80 mol%) have been selected. The materials were prepared using both sol-gel as well as aerosil pseudo-aqua solution method. The AlPO4·SiO2 and NaCaPO4·SiO2 (80 mol% of SiO2) samples have been prepared. IR and Raman spectra of these samples are presented. The spectra of materials from NaCaPO4-AlPO4-SiO2 system are compared to those of NaCaPO4·SiO2 and AlPO4·SiO2 sample (samples without Al3+ or Na+ and Ca2+ cations, respectively). The studies have enabled us to identify the bands arising from the internal and lattice vibrations. The slight differences between the spectra of sol-gel and aerosil pseudo-aqua solution materials are pointed out and discussed. The influence of Na+ and Ca2+ ions on the AlPO4-SiO2 materials structure is analysed.

Hierarchical Fe3O4@MoS2/Ag3PO4 magnetic nanocomposites: Enhanced and stable photocatalytic performance for water purification under visible light irradiation

NASA Astrophysics Data System (ADS)

Guo, Na; Li, Haiyan; Xu, Xingjian; Yu, Hongwen

2016-12-01

Novel hierarchical Fe3O4@MoS2/Ag3PO4 magnetic nanophotocatalyst with remarkable photocatalytic capability were prepared by simply depositing the Ag3PO4 onto the surface of crumpled Fe3O4@MoS2 nanosphere. The nanocomposites were characterized by XRD, TEM, HRTEM, XPS, BET, and UV-vis DRS. The outcome of the photocatalytic experiments demonstrated that Fe3O4@MoS2/Ag3PO4 with 6 wt% content of Ag3PO4 (FM/A-6%) showed the highest photocatalytic activity upon the degradation Congo red (CR) and Rhodamine B (RhB) under both visible light and simulated sunlight irradiation. In addition, FM/A-6% possessed larger specific surface area (76.56 m2/g) and excellent optical property. The possible Z-scheme charge carriers transfer mechanism for the enhanced photocatalytic properties of the FM/A-6% was also discussed. The Z-scheme charge carriers transfer mechanism established between MoS2 and Ag3PO4 facilitate the charge separation efficiency. Moreover, FM/A-6% can be separated and collected easily by external magnetic field and maintain high activity after five times photoreaction cycles. Given the remarkable photocatalytic performance and high stability of FM/A-6% nanocomposite, it is looking forward to exhibit great potential for applications in water purification.

In vivo PO2 imaging in the porcine model with perfluorocarbon F-19 NMR at low field.

PubMed

Thomas, S R; Pratt, R G; Millard, R W; Samaratunga, R C; Shiferaw, Y; McGoron, A J; Tan, K K

1996-01-01

Quantitative pO2 imaging in vivo has been evaluated utilizing F-19 NMR in the porcine model at 0.14 T for the lungs, liver, and spleen following i.p. administration of the commercial perfluorotributylamine (FC-43)-based perfluorocarbon (PFC) emulsion, Oxypherol-ET. Calculated T1 maps obtained from a two spin-echo saturation recovery/inversion recovery (SR/IR) pulse protocol are converted into quantitative pO2 images through a temperature-dependent calibration curve relating longitudinal relaxation rate (1/T1) to pO2. The uncertainty in pO2 for a T1 measurement error of +/- 5% as encountered in establishing the calibration curves ranges from +/- 10 torr (+/- 40%) at 25 torr to +/- 16 torr (+/- 11%) at 150 torr for FC-43 (37 degrees C). However, additional uncertainties in T1 dependent upon the signal-to-noise ratio may be introduced through the SR/IR calculated T1 pulse protocol, which might severely degrade the pO2 accuracy. Correlation of the organ image calculated pO2 with directly measured pO2 in airway or blood pools in six pigs indicate that the PFC resident in lung is in near equilibrium with arterialized blood and not with airway pO2, suggesting a location distal to the alveolar epithelium. For the liver, the strongest correlation implying equilibrium was evident for venous blood (hepatic vein). For the spleen, arterial blood pO2 (aorta) was an unreliable predictor of pO2 for PFC resident in splenic tissue. The results have demonstrated the utility and defined the limiting aspects quantitative pO2 imaging in vivo using F-19 MRI of sequestered PFC materials.

Development of aluminum-stabilized superconducting cables for the Mu2e detector solenoid

DOE PAGES

Lombardo, Vito; Buehler, M.; Lamm, M.; ...

2016-06-01

Here, the Mu2e experiment at Fermilab is designed to measure the rare process of direct muon-to-electron conversion in the field of a nucleus. The experiment comprises a system of three superconducting solenoids, which focus secondary muons from the production target and transport them to an aluminum stopping target, while minimizing the associated background. The Detector Solenoid (DS) is the last magnet in the transport line and its main functions are to provide a graded field in the region of the stopping target as well as a precision magnetic field in a volume large enough to house the tracker downstream ofmore » the stopping target. The Detector Solenoid coils are designed to be wound using NbTi Rutherford cables conformed in high purity aluminum for stabilization and then cold-worked for strength. Two types of Al-stabilized conductor are required to build the DS coils, one for the gradient section and one for the spectrometer section of the solenoid. The dimensions are optimized to generate the required field profile when the same current is transported in both conductors. The conductors contain NbTi Rutherford cables with 12 (DS1) and 8 (DS2) strands respectively and are manufactured by two different vendors. This paper describes the results of the manufacturing of production lengths of the Al-stabilized cables needed to build the Mu2e Detector Solenoid as well as the testing campaigns and main results. The main cable properties and results of electrical and mechanical tests are summarized and discussed for each stage of the cable development process. Results are compared to design values to show how the production cables satisfy all the design criteria starting from the NbTi wires to the Al-stabilized cables.« less

Na7Cr4(P2O7)4PO4

PubMed Central

Bourguiba Fakhar, Noura; Zid, Mohamed Faouzi; Driss, Ahmed

2013-01-01

The title compound, hepta­sodium tetra­chromium(III) tetra­kis­(diphosphate) orthophosphate, was synthesized by solid-state reaction. Its structure is isotypic with that of Na7 M 4(P2O7)4PO4 (M = In, Al) compounds and is made up from a three-dimensional [(CrP2O7)4PO4]7− framework with channels running along [001]. The three Na+ cations are located in the voids of the framework. One of the cations is situated on a general position, one is equally disordered around a twofold rotation axis and one is on a fourfold rotoinversion axis. The isolated PO4 tetra­hedron of the anionic framework is also situated on the -4 axis. Structural relationships between the title compound and different diphosphates containing MP2O11 units (M = Mo, V) are discussed. PMID:23723751

LiCoPO4 cathode from a CoHPO4·xH2O nanoplate precursor for high voltage Li-ion batteries

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

Choi, Daiwon; Li, Xiaolin; Henderson, Wesley A.

2016-02-01

Highly crystalline LiCoPO4/C cathode has been synthesized without any impurities via single step solid-state reaction using CoHPO4xH2O nanoplates as a precursor obtained by simple precipitation route. The electrochemical test shows specific capacity as high as 125mAh/g at charge/discharge rate of C/10. Synthesis approach for obtaining CoHPO4xH2O nanoplate precursor and final LiCoPO4/C cathode using single step solid-state reaction have been characterized using X-ray diffraction, thermos gravimetric analyses (TGA) – differential scanning calorimetry (DSC), transmission electron microscopy (TEM), and scanning electron microscopy (SEM). The electrochemical test and cycling stability using different electrolytes, additive and separator have been investigated.

[Identification of meridian-acupoint diagrams and meridian diagrams].

PubMed

Shen, Wei-hong

2008-08-01

In acu-moxibustion literature, there are two kinds of diagrams, meridian-acupoint diagrams and meridian diagrams. Because they are very similar in outline, and people now have seldom seen the typical ancient meridian diagrams, meridian-acupoint diagrams have been being incorrectly considered to be the meridian diagrams for a long time. It results in confusion in acu-moxibustion academia. The present paper stresses its importance in academic research and introduces some methods for identifying them correctly. The key points for identification of meridian-acupoint diagrams and meridian diagrams are: the legend of diagrams and the drawing style of the ancient charts. In addition, the author makes a detailed explanation about some acu-moxibustion charts which are easily confused. In order to distinguish meridian-acupoint diagrams and meridian diagrams correctly, he or she shoulnd understand the diagrams' intrinsic information as much as possible and make a comprehensive analysis about them.

Combustion Synthesis of Ca3(PO4)2 Net-Shape Surgical Implants

NASA Technical Reports Server (NTRS)

Ayers, Reed A.; Castillo, Martin; Gottoli, Guglielmo; Moore, John J.; Simske, Steven J.

2006-01-01

Self-propagating high-temperature combustion synthesis (SHS) is the basis of a method of making components of porous tricalcium phosphate [Ca3(PO4)2] and related compounds in net sizes and shapes for use as surgical implants that are compatible with bone. The SHS method offers advantages over prior methods of manufacturing Ca3(PO4)2-based surgical implants.

Fe{sub 2.5}[BP{sub 2}O{sub 7}(OH){sub 2}][PO{sub 3}(OH)][PO{sub 3}(O{sub 0.5}OH{sub 0.5})] · H{sub 2}O, a new phosphate-borophosphate with a microporous structure

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

Belokoneva, E. L., E-mail: elbel@geol.msu.ru; Dimitrova, O. V.

2015-05-15

A new phosphate-borophosphate Fe{sub 2.5}{sup 3+}[BP{sub 2}O{sub 7}(OH){sub 2}][PO{sub 3}(OH)][PO{sub 3}(O{sub 0.5}OH{sub 0.5})] · H{sub 2}O, space group P12{sub 1}/n, is obtained under hydrothermal conditions. Blocks (Fe{sup 3+}(PO{sub 4}){sub 6}){sup 15−} consisting of vertex-sharing (Fe1,Fe2)O{sub 6} octahedra and six PO{sub 4} tetrahedra are distinguished in the structure of the new phase, which was determined without preliminary knowledge of the chemical formula. Such blocks are known for many phosphates (borophosphates), germanates, gallates, and silicates. Blocks form layers connected by BO{sub 4} tetrahedra into a framework with large pores reaching ∼9.5 Å, which are occupied by water molecules. The out-of-layer octahedral positionmore » of the Fe3 atom is split and occupied statistically. The anion radical is characterized as a phosphate-borophosphate: it consists of two isolated PO4 tetrahedra and a borophosphate soro group [BP{sub 2}O{sub 7}(OH){sub 2}] first found in NaIn[BP{sub 2}O{sub 8}(OH)]. A layer of octahedra is characterized by higher local symmetry corresponding to the orthorhombic group Pm2{sub 1}n.« less

1D nanostructured Na7V4(P2O7)4(PO4) as high-potential and superior-performance cathode material for sodium-ion batteries.

PubMed

Deng, Chao; Zhang, Sen

2014-06-25

Tailoring materials into nanostructure offers unprecedented opportunities in the utilization of their functional properties. High-purity Na7V4(P2O7)4(PO4) with 1D nanostructure is prepared as a cathode material for rechargeable Na-ion batteries. An efficient synthetic approach is developed by carefully controlling the crystal growth in the molten sodium phosphate. Based on the XRD, XPS, TG, and morphological characterization, a molten-salt assisted mechanism for nanoarchitecture formation is revealed. The prepared Na7V4(P2O7)4(PO4) nanorod has rectangle sides and preferential [001] growth orientation. GITT evaluation indicates that the sodium de/intercalation of Na7V4(P2O7)4(PO4) nanorod involves V(3+)/V(4+) redox reaction and Na5V(3.5+)4(P2O7)4(PO4) as intermediate phase, which results in two pairs of potential plateaus at the equilibrium potentials of 3.8713 V (V(3+)/V(3.5+)) and 3.8879 V (V(3.5+)/V(4+)), respectively. The unique nanoarchitecture of the phase-pure Na7V4(P2O7)4(PO4) facilitates its reversible sodium de/intercalation, which is beneficial to the high-rate capability and the cycling stability. The Na7V4(P2O7)4(PO4) cathode delivers 80% of the capacity (obtained at C/20) at the 10 C rate and 95% of the initial capacity after 200 cycles. Therefore, it is feasible to design and fabricate an advanced rechargeable sodium-ion battery by employment of 1D nanostructured Na7V4(P2O7)4(PO4) as the cathode material.

Analysis of the phase solubility diagram of a phenacetin/competitor/beta-cyclodextrin ternary system, involving competitive inclusion complexation.

PubMed

Ono, N; Hirayama, F; Arima, H; Uekama, K

2001-01-01

The competitive inclusion complexations in the ternary phenacetin/competitors/beta-cyclodextrin (beta-CyD) systems were investigated by the solubility method, where m-bromobenzoic acid (m-BBA) and o-toluic acid (o-TA) were used as competitors. The solubility changes of the drug and competitors as a function of beta-CyD concentration in the ternary systems were formulated using their stability constants and intrinsic solubilities. The decrease in solubility of phenacetin by the addition of competitors could be quantitatively simulated by the formulation, when both drug and competitor give A(L) type solubility diagrams. On the other hand, when one of the guests gives a B(S) type solubility diagram, its solubility change was clearly reflected in that of the another guest, i.e., phenacetin gave an A(L) type solubility diagram in the binary phenacetin/beta-CyD system and o-TA gave a B(S) type diagram in the binary o-TA/beta-CyD system, but in the ternary phenacetin/o-TA/beta-CyD system, a new plateau region appeared in the original A(L) type diagram of phenacetin. This was explained by the solubilization theory of Higuchi and Connors. The solubility analysis of the ternary drug/competitor/CyD systems may be particularly useful for determination of the stability constant of a drug whose physicochemical and spectroscopic analyses are difficult, because they can be calculated by monitoring the solubility change of a competitor, without monitoring that of a drug. Furthermore, the present results suggest that attention should be paid to the type of the phase solubility diagram, as well as the magnitude of the stability constant and the solubility of the complex, for a rational formulation design of CyD complexes.

Synthesis and photoluminescence properties of Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} red phosphor for white light emitting diodes

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

Zhu, Ge; Ci, Zhipeng; Shi, Yurong

2014-07-01

Highlights: • A novel red phosphor Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} was synthesized and investigated firstly. • The structure and characteristic luminescence properties are discussed. • The excellent thermal stability was found and investigated. • It has good color saturation, the CIE is close to that of commercial Y{sub 2}O{sub 3}:Eu{sup 3+}. - Abstract: A series of Sm{sup 3+} doped Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14} red phosphors were successfully synthesized. X-ray diffraction analysis indicates that all the samples are single phased. The luminescence property is investigated in detail by measuring their photoluminescence excitation and emission spectra. Ca{sub 19}Mg{sub 2}(PO{submore » 4}){sub 14}:Sm{sup 3+} phosphors show strong absorption in 400–410 nm region, which is suitable for application in LEDs. When excited at 403 nm, Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphor can emit red emission with CIE chromaticity coordinates (0.615, 0.384). The optimal doping concentration of Sm{sup 3+} doped Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14} is measured to be 0.02. The thermal quenching property is also measured and compared with the commercial red phosphor Y{sub 2}O{sub 3}:Eu{sup 3+} (Topstar, TXC-RIA). The results indicate Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphors have potential to serve as a red phosphor for white LEDs.« less

A simple route to improve rate performance of LiFePO4/reduced graphene oxide composite cathode by adding Mg2+ via mechanical mixing

NASA Astrophysics Data System (ADS)

Huang, Yuan; Liu, Hao; Gong, Li; Hou, Yanglong; Li, Quan

2017-04-01

Introducing Mg2+ to LiFePO4 and reduced graphene oxide composite via mechanical mixing and annealing leads to largely improved rate performance of the cathode (e.g. ∼78 mA h g-1 at 20 C for LiFePO4 and reduced graphene oxide composite with Mg2+ introduction vs. ∼37 mA h g-1 at 20 C for LiFePO4 and reduced graphene oxide composite). X-ray photoelectron spectroscopy unravels that the enhanced reduction of Fe2+ to Fe0 occurs in the simultaneous presence of Mg2+ and reduced graphene oxide, which is beneficial for the rate capability of cathode. The simple fabrication process provides a simple and effective means to improve the rate performance of the LiFePO4 and reduced graphene oxide composite cathode.

Synthesis and characterization of metastable, 20 nm-sized Pna21-LiCoPO4 nanospheres

NASA Astrophysics Data System (ADS)

Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom

2017-04-01

The majority of research activities on LiCoPO4 are focused on the phospho-olivine (space group Pnma), which is a promising high-voltage cathode material for Li-ion batteries. In contrast, comparably little is known about its metastable Pna21 modification. Herein, we present a comprehensive study on the structure-property relationships of 15-20 nm Pna21-LiCoPO4 nanospheres prepared by a simple microwave-assisted solvothermal process. Unlike previous reports, the results indicate that the compound is non-stoichiometric and shows cation-mixing with Co ions on the Li sites, which provides an explanation for the poor electrochemical performance. Co L2,3-edge X-ray absorption spectroscopic data confirm the local tetrahedral symmetry of Co2+. Comprehensive studies on the thermal stability using thermogravimetric analysis, differential scanning calorimetry, and in situ powder X-ray diffraction show an exothermic phase transition to olivine Pnma-LiCoPO4 at 527 °C. The influence of the atmosphere and the particle size on the thermal stability is also investigated.

Calcium promotes activity and confers heat stability on plant peroxidases

PubMed Central

Plieth, Christoph; Vollbehr, Sonja

2012-01-01

In this paper we demonstrate how peroxidase (PO) activities and their heat stability correlate with the availability of free Ca2+ ions. Calcium ions work as a molecular switch for PO activity and exert a protective function, rendering POs heat stable. The concentration ranges of these two activities differ markedly. POs are activated by µM Ca2+ concentration ranges, whereas heat stabilization is observed in the nM range. This suggests the existence of different Ca2+ binding sites. The heat stability of POs depends on the source plant species. Terrestrial plants have POs that exhibit higher temperature stability than those POs from limnic and marine plants. Different POs from a single species can differ in terms of heat stability. The abundance of different POs within a plant is dependent on age and developmental stage. The heat stability of a PO does not necessarily correlate with the maximum temperature the source species is usually exposed to in its natural habitat. This raises questions on the role of POs in the heat tolerance of plants. Consequently, detailed investigations are needed to identify and characterize individual POs, with regard to their genetic origin, subcellular expression, tissue abundance, developmental emergence and their functions in innate and acquired heat tolerance. PMID:22580695

Space Science for Middle School Teachers: Integrating CINDI E/PO into a Long-Term Professional Development Program

NASA Astrophysics Data System (ADS)

Urquhart, M. L.; Hairston, M. R.

2005-12-01

Education and Public Outreach (E/PO) targeting pre-college education can be focused on teachers or students, but is ultimately only effective if it impacts classrooms. A challenge in the teacher workshop model is tracking the impact we have actually made. Teachers may be excited by our offerings, and rate workshops highly, but is our E/PO actually making a difference with pre-college students? In June 2005 we ran our second four-day teacher workshop for the joint NASA/U.S. Air Force sponsored ionospheric instrument package, the Coupled Ion Neutral Dynamics Investigation (CINDI) with a new twist. We experimented with the integration of our workshop into a long-term professional development program for 6th and 7th grade teachers at UT Dallas. Immediate direct benefits to the CINDI E/PO program included knowledge of teacher backgrounds prior to the workshop, a narrow target grade level range, and the elimination of the need for separate recruiting efforts. More importantly, by working within a year-long program supported by a Teacher Quality Grant we have been able to better assess teacher learning and the impact our outreach efforts is having on the middle school students of participants. The 20-contact hours our workshop contributed to the Teacher Quality Summer Institute were specifically designed to meet Texas standards for middle school science, and made connections between space weather, Earth systems, basic physics, technology, and communications. Participants were able to interact with members of the science team in formal settings and over casual lunches. We will present our motivations for this experiment, participant feedback, and lessons learned. In addition, we will give an update on our CINDI Educator Guide, and the newly completed Cindi in Space comic book. For the latest on CINDI E/PO, curriculum materials, and the comic book in pdf format, go to http://cindispace.utdallas.edu/education/.

Mechanical properties and in vitro bioactivity of Ca5(PO4)2SiO4 bioceramic.

PubMed

Lu, Wenhao; Duan, Wei; Guo, Yaping; Ning, Congqin

2012-02-01

Pure Ca(5)(PO(4))(2)SiO(4) bioceramic was first prepared by a sol-gel method using triethyl phosphate, tetraethoxysilane, and calcium nitrate tetrahydrate as original materials. Simulated body fluid (SBF) immersion tests revealed that Ca(5)(PO(4))(2)SiO(4) samples had a greater in vitro apatite-forming ability than hydroxyapatite (HA). After soaking Ca(5)(PO(4))(2)SiO(4) samples in the SBF for 1 day, bone-like apatite precipitated on the surfaces and the apatite layer became thicker with increasing the soaking time. However, few bone-like apatites precipitated on the HA samples even after soaking in the SBF for 7 days. The good in vitro bioactivity of Ca(5)(PO(4))(2)SiO(4) samples was attributed to the silanol (Si-OH) groups and greater solubility of Ca(5)(PO(4))(2)SiO(4). In addition, hot-pressed Ca(5)(PO(4))(2)SiO(4) ceramic exhibited lower bending strength and elastic modulus than hot-pressed HA, since the former had a lower relative density than the latter. The results have shown that Ca(5)(PO(4))(2)SiO(4) is a potential candidate material for bone repair. © The Author(s), 2010.

Reduced Graphene Oxide-Ag3PO4 Heterostructure: A Direct Z-Scheme Photocatalyst for Augmented Photoreactivity and Stability.

PubMed

Samal, Alaka; Das, D P; Nanda, K K; Mishra, B K; Das, J; Dash, A

2016-02-18

A visible light driven, direct Z-scheme reduced graphene oxide-Ag3PO4 (RGO-Ag3 PO4 ) heterostructure was synthesized by means of a simple one-pot photoreduction route by varying the amount of RGO under visible light illumination. The reduction of graphene oxide (GO) and growth of Ag3PO4 took place simultaneously. The effect of the amount of RGO on the textural properties and photocatalytic activity of the heterostructure was investigated under visible light illumination. Furthermore, total organic carbon (TOC) analysis confirmed 97.1 % mineralization of organic dyes over RGO-Ag3PO4 in just five minutes under visible-light illumination. The use of different quenchers in the photomineralization suggested the presence of hydroxyl radicals ((.)OH), superoxide radicals ((.)O2 (-)), and holes (h(+)), which play a significant role in the mineralization of organic dyes. In addition to that, clean hydrogen fuel generation was also observed with excellent reusability. The 4 RGO-Ag3PO4 heterostructure has a high H2 evolution rate of 3690 μmol h(-1)  g(-1), which is 6.15 times higher than that of RGO. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Properties and Crystallization Phenomena in Li2Si2O5–Ca5(PO4)3F and Li2Si2O5–Sr5(PO4)3F Glass–Ceramics Via Twofold Internal Crystallization

PubMed Central

Rampf, Markus; Dittmer, Marc; Ritzberger, Christian; Schweiger, Marcel; Höland, Wolfram

2015-01-01

The combination of specific mechanical, esthetic, and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass–ceramic materials. The present study outlines the potential of precipitating Ca5(PO4)3F as well as Sr5(PO4)3F as minor crystal phases in Li2Si2O5 glass–ceramics. Base glasses with different contents of CaO/SrO, P2O5, and F− were prepared within the glasses of the SiO2–Li2O–K2O–CaO/SrO–Al2O3–P2O5–F system. Preliminary studies of nucleation by means of XRD and scanning electron microscopy (SEM) of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass–ceramics was established. The microstructures of the glass–ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass–ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO4)3F and Sr5(PO4)3F influence the translucency of the glass–ceramics and, hence, help to precisely tailor the properties of Li2Si2O5 glass–ceramics. The authors conclude that the twofold crystallization of Li2Si2O5–Ca5(PO4)3F or Li2Si2O5–Sr5(PO4)3F glass–ceramics involves independent solid-state reactions, which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass–ceramics and, hence, displays new potential for dental applications. PMID:26389112

Comparison of Interstitial Fluid pH, PCO2, PO2 with Venous Blood Values During Repetitive Handgrip Exercise

NASA Technical Reports Server (NTRS)

Hagan, Ronald Donald; Soller, Babs R.; Shear, Michael; Walz, Matthias; Landry, Michelle; Heard, Stephen

2006-01-01

We evaluated the use of a small, fiber optic sensor to measure pH, PCO2 and PO2 from forearm muscle interstitial fluid (IF) during handgrip dynamometry. PURPOSE: Compare pH, PCO2 and PO2 values obtained from venous blood with those from the IF of the flexor digitorum superficialis (FDS) during three levels of exercise intensity. METHODS: Six subjects (5M/1F), average age 29+/-5 yrs, participated in the study. A venous catheter was placed in the retrograde direction in the antecubital space and a fiber optic sensor (Paratrend, Diametrics Medical, Inc.) was placed through a 22 G catheter into the FDS muscle under ultrasound guidance. After a 45 min rest period, subjects performed three 5-min bouts of repetitive handgrip exercise (2s contraction/1 s relaxation) at attempted levels of 15%, 30% and 45% of maximal voluntary contraction. The order of the exercise bouts was random with the second and third bouts started after blood lactate had returned to baseline. Venous blood was sampled every minute during exercise and analyzed with an I-Stat CG-4+ cartridge, while IF fiber optic sensor measurements were obtained every 2 s. Change from pre-exercise baseline to end of exercise was computed for pH, PCO2 and PO2. Blood and IF values were compared with a paired t-test. RESULTS: Baseline values for pH, PCO2 and PO2 were 7.37+/-0.02, 46+/-4 mm Hg, and 36+/-6 mm Hg respectively in blood and 7.39+/-0.02, 44+/-6 mm Hg, and 35+/-14 mm Hg in IF. Average changes over all exercise levels are noted in the Table below. For each parameter the exercise-induced change was at least twice as great in IF as in blood. In blood and IF, pH and PCO2 increases were directly related to exercise intensity. Change in venous PO2 was unrelated to exercise intensity, while IF PO2 decreased with increases in exercise intensity. CONCLUSIONS: Measurement of IF pH, PCO2 and PO2 is more sensitive to exercise intensity than measurement of the same parameters in venous blood and provides continuous

Elastico-mechanoluminescence in CaZr(PO4)2:Eu2+ with multiple trap levels.

PubMed

Zhang, Jun-Cheng; Xu, Chao-Nan; Long, Yun-Ze

2013-06-03

We report on a novel elastico-mechanoluminescence (EML) phosphor of CaZr(PO4)2:Eu2+ for simultaneous luminescent sensing and imaging to mechanical load by the light-emitting of Eu2+ ions. The EML properties of CaZr(PO4)2:Eu2+ show an intense luminance (above 15 mcd m(-2)), a low load threshold (below 5 N), a broad measurement range for the dynamic load (up to 2000 N), and an accurate linear relationship of EML intensity against the applied load. The excellent EML characteristics are considered to originate from the piezoelectric crystal structure and the multiple trap levels with appropriate depths. An EML mechanism based on the electrons as the main charge carriers is proposed.

Sodium Ion Diffusion in Nasicon (Na3Zr2Si2PO12) Solid Electrolytes: Effects of Excess Sodium.

PubMed

Park, Heetaek; Jung, Keeyoung; Nezafati, Marjan; Kim, Chang-Soo; Kang, Byoungwoo

2016-10-04

The Na superionic conductor (aka Nasicon, Na 1+x Zr 2 Si x P 3-x O 12 , where 0 ≤ x ≤ 3) is one of the promising solid electrolyte materials used in advanced molten Na-based secondary batteries that typically operate at high temperature (over ∼270 °C). Nasicon provides a 3D diffusion network allowing the transport of the active Na-ion species (i.e., ionic conductor) while blocking the conduction of electrons (i.e., electronic insulator) between the anode and cathode compartments of cells. In this work, the standard Nasicon (Na 3 Zr 2 Si 2 PO 12 , bare sample) and 10 at% Na-excess Nasicon (Na 3.3 Zr 2 Si 2 PO 12 , Na-excess sample) solid electrolytes were synthesized using a solid-state sintering technique to elucidate the Na diffusion mechanism (i.e., grain diffusion or grain boundary diffusion) and the impacts of adding excess Na at relatively low and high temperatures. The structural, thermal, and ionic transport characterizations were conducted using various experimental tools including X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and electrochemical impedance spectroscopy (EIS). In addition, an ab initio atomistic modeling study was carried out to computationally examine the detailed microstructures of Nasicon materials, as well as to support the experimental observations. Through this combination work comprising experimental and computational investigations, we show that the predominant mechanisms of Na-ion transport in the Nasicon structure are the grain boundary and the grain diffusion at low and high temperatures, respectively. Also, it was found that adding 10 at% excess Na could give rise to a substantial increase in the total conductivity (e.g., ∼1.2 × 10 -1 S/cm at 300 °C) of Nasicon electrolytes resulting from the enlargement of the bottleneck areas in the Na diffusion channels of polycrystalline grains.

High Pressure-Temperature Phase Diagram of 1,1-diamino-2,2-dinitroethylene

NASA Astrophysics Data System (ADS)

Bishop, Matthew; Chellappa, Raja; Liu, Zhenxian; Preston, Daniel; Sandstrom, Mary; Dattelbaum, Dana; Vohra, Yogesh; Velisavljevic, Nenad

2013-06-01

1,1-diamino-2,2-dinitroethelyne (FOX-7) is a less sensitive energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ) . In this study, we have investigated the high P-T stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra confirmed the known α --> β (110 °C) and β --> γ (160 °C) phase transitions; as well as, indicated an additional phase transition, γ --> δ (210°C), with the δ phase being stable up to 250 °C prior to melt/decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa revealed that the α --> β transition occurs at 180 °C, while β --> β + δ phase transition shifted to 300 °C with suppression of γ phase. Decomposition was observed above 325 °C. Based on multiple high P-T measurements, we have established the first high P-T phase diagram of FOX-7. This work was, in part, supported by the US DOE under contract No. DE-AC52-06NA25396 and Science Campaign 2 Program. MB acknowledges additional support from the NSF BD program. Use of NSLS (DE-AC02-98CH10886) beamline U2A (COMPRES, No.EAR01-35554, CDAC).

Po2 cycling protects diaphragm function during reoxygenation via ROS, Akt, ERK, and mitochondrial channels.

PubMed

Zuo, Li; Pannell, Benjamin K; Re, Anthony T; Best, Thomas M; Wagner, Peter D

2015-12-01

Po2 cycling, often referred to as intermittent hypoxia, involves exposing tissues to brief cycles of low oxygen environments immediately followed by hyperoxic conditions. After experiencing long-term hypoxia, muscle can be damaged during the subsequent reintroduction of oxygen, which leads to muscle dysfunction via reperfusion injury. The protective effect and mechanism behind Po2 cycling in skeletal muscle during reoxygenation have yet to be fully elucidated. We hypothesize that Po2 cycling effectively increases muscle fatigue resistance through reactive oxygen species (ROS), protein kinase B (Akt), extracellular signal-regulated kinase (ERK), and certain mitochondrial channels during reoxygenation. Using a dihydrofluorescein fluorescent probe, we detected the production of ROS in mouse diaphragmatic skeletal muscle in real time under confocal microscopy. Muscles treated with Po2 cycling displayed significantly attenuated ROS levels (n = 5; P < 0.001) as well as enhanced force generation compared with controls during reperfusion (n = 7; P < 0.05). We also used inhibitors for signaling molecules or membrane channels such as ROS, Akt, ERK, as well as chemical stimulators to close mitochondrial ATP-sensitive potassium channel (KATP) or open mitochondrial permeability transition pore (mPTP). All these blockers or stimulators abolished improved muscle function with Po2 cycling treatment. This current investigation has discovered a correlation between KATP and mPTP and the Po2 cycling pathway in diaphragmatic skeletal muscle. Thus we have identified a unique signaling pathway that may involve ROS, Akt, ERK, and mitochondrial channels responsible for Po2 cycling protection during reoxygenation conditions in the diaphragm. Copyright © 2015 the American Physiological Society.

Misfit strain-temperature phase diagrams and domain stability of asymmetric ferroelectric capacitors: Thermodynamic calculation and phase-field simulation

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

Chen, W. J.; Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn; Wu, C. M.

Thermodynamic calculation and phase-field simulation have been conducted to investigate the misfit strain-temperature phase diagrams, dielectric property, and domain stability of asymmetric ferroelectric capacitors (FCs), with considering the effects of dissimilar screening properties and work function steps at the two interfaces. The distinct features of asymmetric FCs from their symmetric counterparts have been revealed and discussed. Polar states with nonzero out-of-plane polarization in parallel with the built-in field are found preferential to form in asymmetric FCs. Meanwhile, the built-in field breaks the degeneracy of states with out-of-plane polarization in anti-directions. This leads to the necessity of redefining phases according tomore » the bistability of out-of-plane polarization. Moreover, the phase stability as well as the dielectric behavior can be significantly controlled by the properties of electrodes, misfit strain, and temperature. The phase-field simulation result also shows that polydomain instability would happen in asymmetric FCs as the equivalence of domain stability in anti-directions is destroyed.« less

Preparation and characterization of SnO2 and Carbon Co-coated LiFePO4 cathode materials.

PubMed

Wang, Haibin; Liu, Shuxin; Huang, Yongmao

2014-04-01

The SnO2 and carbon co-coated LiFePO4 cathode materials were successfully synthesized by solid state method. The microstructure and morphology of LiFePO4 composites were characterized by X-ray diffraction, Raman spectroscopy, scanning electron microscopy and transmission electron microscope. The results showed that the SnO2 and carbon co-coated LiFePO4 cathode materials exhibited more uniform particle size distribution. Compared with the uncoated LiFePO4/C, the structure of LiFePO4 with SnO2 and carbon coating had no change. The existence of SnO2 and carbon coating layer effectively enhanced the initial discharge capacity. Among the investigated samples, the one with DBTDL:LiFePO4 molar ratios of 7:100 exhibited the best electrochemical performance.

The PoGO+ Ballon-Borne Hard X-ray Polarimetry Mission

NASA Astrophysics Data System (ADS)

Friis, Mette; Kiss, Mózsi; Mikhalev, Victor; Pearce, Mark; Takahashi, Hiromitsu

2018-03-01

The PoGO mission, including the PoGOLite Pathfinder and PoGO+, aims to provide polarimetric measurements of the Crab system and Cygnus X-1 in the hard X-ray band. Measurements are conducted from a stabilized balloon-borne platform, launched on a 1 million cubic meter balloon from the Esrange Space Center in Sweden to an altitude of approximately 40 km. Several flights have been conducted, resulting in two independent measurements of the Crab polarization and one of Cygnus X-1. Here, a review of the PoGO mission is presented, including a description of the payload and the flight campaigns, and a discussion of some of the scientific results obtained to date.

Symmetry and topology code of the cluster self-assembly of framework MT structures of alumophosphates AlPO4(H2O)2 (metavariscite and variscite) and Al2(PO4)2(H2O)3 (APC)

NASA Astrophysics Data System (ADS)

Ilyushin, G. D.; Blatov, V. A.

2017-03-01

The supramolecular chemistry of alumophosphates, which form framework 3D MT structures from polyhedral AlO4(H2O)2 clusters with octahedral O coordination (of M polyhedra) and PO4 and AlO4 with tetrahedral O coordination (of T polyhedra), is considered. A combinatorial-topological modeling of the formation of possible types of linear (six types) and ring (two types) tetrapolyhedral cluster precursors M2T2 from MT monomers is carried out. Different versions of chain formation from linked (MT)2 rings (six types) are considered. The model, which has a universal character, has been used to simulate the cluster selfassembly of the crystal structure of AlPO4(H2O)2 minerals (metavariscite, m-VAR, and variscite, VAR) and zeolite [Al2(PO4)2(H2O)2] · H2O (APC). A tetrapolyhedral linear precursor is established for m-VAR and a ring precursor (MT)2 is established for VAR and APC. The symmetry and topology code of the processes of crystal structure self-assembly from cluster precursors is completely reconstructed. The functional role of the O-H···O hydrogen bonds is considered for the first time. The cluster self-assembly model explains the specific features of the morphogenesis of single crystals: m-VAR prisms, flattened VAR octahedra, and needleshaped APC square-base prisms.

Virtual synthesis of crystals using ab initio MD: Case study on LiFePO4

NASA Astrophysics Data System (ADS)

Mishra, S. B.; Nanda, B. R. K.

2017-05-01

Molecular dynamics simulation technique is fairly successful in studying the structural aspects and dynamics of fluids. Here we study the ability of ab initio molecular dynamics (ab initio MD) to carry out virtual experiments to synthesize new crystalline materials and to predict their structures. For this purpose the olivine phosphate LiFePO4 (LFPO) is used as an example. As transition metal oxides in general are stabilized with layered geometry, we carried out ab initio MD simulations over a hypothetical layered configuration consisting of alternate LiPO2 and FeO2 layers. With intermittent steps of electron minimization, the resulted equilibrium lattice consist of PO4 tetrahedra and distorted Fe-O complexes similar to the one observed in the experimental lattice.

Synthesis and photoluminescence control of Ca{sub 10.5–1.5x}La{sub x}(PO{sub 4}){sub 7}:Eu{sup 2+} phosphors by aliovalent cation substitution

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

Fan, Yanting; Tang, Miao; Qiu, Zhongxian

A range of Ca{sub 10.5-1.5x}La{sub x}(PO{sub 4}){sub 7}:Eu{sup 2+}phosphors were synthesized by high temperature solid state method. Subsequently we studied the crystal structures and luminescent properties through X-ray diffraction, photoluminescence and photoluminescence excitation, diffuse reflection spectra, Raman spectra and decay curves systematically. Based on the special crystal structure ofβ-Ca{sub 3}(PO{sub 4}){sub 2}:Eu{sup 2+}, its emission undergoes a variation from violet–blue to cyan through introducing La{sup 3+}. The substitution of La{sup 3+} for Ca{sup 2+} could form some cation vacancies in Ca(4) sites according to the scheme 3Ca{sup 2+}= 2La{sup 3+}+ □ due to the different ion valence, which compels Eu{supmore » 2+} to migrate from Ca(4) site to other sites. Additionally, the formation of the cation vacancies can further reduce the thermal stability of phosphors. - Highlights: • Realizing photoluminescence control of Eu{sup 2+} by introducing relatively larger La{sup 3+} ion to replace the Ca{sup 2+} in β-Ca{sub 3}(PO{sub 4}){sub 2}:Eu{sup 2+} phosphor. • The mechanism of spectral control is proposed to be due to emptying of Ca{sup 2+} and migration of Eu{sup 2+}. • The thermal stability reduction is related to the formation of vacancies.« less

Shock wave induced phase transition in α -FePO 4

NASA Astrophysics Data System (ADS)

Joshi, K. D.; Suresh, N.; Jyoti, G.; Kulshreshtha, S. K.; Gupta, S. C.; Sikka, S. K.

Shock wave induced response of the berlinite form of FePO 4 has been investigated up to 8.5 GPa. The X-ray diffraction measurements on the shock recovered samples reveal transition to the mixture of an amorphous phase and an orthorhombic phase around 5 GPa. The proportion of the amorphous material in the recovered sample is found to decrease at higher pressure. The results are interpreted in terms of a three-level free energy diagram for the crystal to amorphous transitions.

The topological phase diagram of cimetidine: A case of overall monotropy.

PubMed

Céolin, R; Rietveld, I B

2017-03-01

Cimetidine is a histamine H 2 -receptor antagonist used against peptic ulcers. It is known to exhibit crystalline polymorphism. Forms A and D melt within 0.35 degrees from each other and the enthalpies of fusion are similar as well. The present paper demonstrates how to construct a pressure-temperature phase diagram with only calorimetric and volumetric data available. The phase diagram provides the stability domains and the phase equilibria for the phases A, D, the liquid and the vapor. Cimetidine is overall monotropic with form D the only stable solid phase. Copyright © 2016 Académie Nationale de Pharmacie. Published by Elsevier Masson SAS. All rights reserved.

High-capacity cathodes for lithium-ion batteries from nanostructured LiFePO4 synthesized by highly-flexible and scalable flame spray pyrolysis

NASA Astrophysics Data System (ADS)

Hamid, N. A.; Wennig, S.; Hardt, S.; Heinzel, A.; Schulz, C.; Wiggers, H.

2012-10-01

Olivine, LiFePO4 is a promising cathode material for lithium-ion batteries due to its low cost, environmental acceptability and high stability. Its low electric conductivity prevented it for a long time from being used in large-scale applications. Decreasing its particle size along with carbon coating significantly improves electronic conductivity and lithium diffusion. With respect to the controlled formation of very small particles with large specific surface, gas-phase synthesis opens an economic and flexible route towards high-quality battery materials. Amorphous FePO4 was synthesized as precursor material for LiFePO4 by flame spray pyrolysis of a solution of iron acetylacetonate and tributyl phosphate in toluene. The pristine FePO4 with a specific surface from 126-218 m2 g-1 was post-processed to LiFePO4/C composite material via a solid-state reaction using Li2CO3 and glucose. The final olivine LiFePO4/C particles still showed a large specific surface of 24 m2 g-1 and were characterized using X-ray diffraction (XRD), electron microscopy, X-ray photoelectron spectrocopy (XPS) and elemental analysis. Electrochemical investigations of the final LiFePO4/C composites show reversible capacities of more than 145 mAh g-1 (about 115 mAh g-1 with respect to the total coating mass). The material supports high drain rates at 16 C while delivering 40 mAh g-1 and causes excellent cycle stability.

Stage line diagram: an age-conditional reference diagram for tracking development.

PubMed

van Buuren, Stef; Ooms, Jeroen C L

2009-05-15

This paper presents a method for calculating stage line diagrams, a novel type of reference diagram useful for tracking developmental processes over time. Potential fields of applications include: dentistry (tooth eruption), oncology (tumor grading, cancer staging), virology (HIV infection and disease staging), psychology (stages of cognitive development), human development (pubertal stages) and chronic diseases (stages of dementia). Transition probabilities between successive stages are modeled as smoothly varying functions of age. Age-conditional references are calculated from the modeled probabilities by the mid-P value. It is possible to eliminate the influence of age by calculating standard deviation scores (SDS). The method is applied to the empirical data to produce reference charts on secondary sexual maturation. The mean of the empirical SDS in the reference population is close to zero, whereas the variance depends on age. The stage line diagram provides quick insight into both status (in SDS) and tempo (in SDS/year) of development of an individual child. Other measures (e.g. height SDS, body mass index SDS) from the same child can be added to the chart. Diagrams for sexual maturation are available as a web application at http://vps.stefvanbuuren.nl/puberty. The stage line diagram expresses status and tempo of discrete changes on a continuous scale. Wider application of these measures scores opens up new analytic possibilities. (c) 2009 John Wiley & Sons, Ltd.

Students' Learning Activities While Studying Biological Process Diagrams

ERIC Educational Resources Information Center

Kragten, Marco; Admiraal, Wilfried; Rijlaarsdam, Gert

2015-01-01

Process diagrams describe how a system functions (e.g. photosynthesis) and are an important type of representation in Biology education. In the present study, we examined students' learning activities while studying process diagrams, related to their resulting comprehension of these diagrams. Each student completed three learning tasks. Verbal…

Aligned Li+ Tunnels in Core-Shell Li(NixMnyCoz)O2@LiFePO4 Enhances Its High Voltage Cycling Stability as Li-ion Battery Cathode.

PubMed

Wu, Zhongzhen; Ji, Shunping; Liu, Tongchao; Duan, Yandong; Xiao, Shu; Lin, Yuan; Xu, Kang; Pan, Feng

2016-10-12

Layered transition-metal oxides (Li[Ni x Mn y Co z ]O 2 , NMC, or NMCxyz) due to their poor stability when cycled at a high operating voltage (>4.5 V) have limited their practical applications in industry. Earlier researches have identified Mn(II)-dissolution and some parasitic reactions between NMC surface and electrolyte, especially when NMC is charged to a high potential, as primarily factors responsible for the fading. In our previous work, we have achieved a capacity of NMC active material close to theoretical value and optimized its cycling performance by a depolarized carbon nanotubes (CNTs) network and an unique "pre-lithiation process" that generates an in situ organic coating (∼40 nm) to prevent Mn(II) dissolution and minimize the parasitic reactions. Unfortunately, this organic coating is not durable enough during a long-term cycling when the cathode operates at a high potential (>4.5 V). This work attempts to improve the surface protection of the NMC532 particles by applying an active inorganic coating consisting of nanosized- and crystal-orientated LiFePO 4 (LFP) (about 50 nm, exposed (010) face) to generate a core-shell nanostructure of Li(Ni x Mn y Co z )O 2 @LiFePO 4 . Transmission electron microscopy (TEM) and etching X-ray photoelectron spectroscopy have confirmed an intimate contact coating (about 50 nm) between the original structure of NMC and LFP single-particle with atomic interdiffusion at the core-shell interface, and an array of interconnected aligned Li + tunnels are observed at the interface by cross-sectional high-resolution TEM, which were formed by ball-milling and then strictly controlling the temperature below 100 °C. Batteries based on this modified NMC cathode material show a high reversible capacity when cycled between 3.0 and 4.6 V during a long-term cycling.

Conjugation of TbPO4·H2O-Based Nanowires with Immunoglobulin G for Bioimaging

NASA Astrophysics Data System (ADS)

Huong, Nguyen Thanh; Lien, Pham Thi; Hung, Nguyen Manh; Van, Nguyen Duc; Thuy, Tran Thi; Binh, Nguyen Thanh; Minh, Le Quoc

2016-05-01

The surface modification, functionalization, and conjugation of undoped and 11 at.% Eu3+-doped TbPO4 ·H2O nanowires by using silica, a thyocyanate functional group, and immunoglobulin G, respectively, are described in this paper. For the core layer of obtained conjugated nanowires, the undoped TbPO4 ·H2O exhibited characteristic photoluminescent green emission corresponding to 5 D 4 → 7 F J transitions ( J = 6, 5, 4, 3) while the incorporation of Eu3+ into TbPO4 ·H2O lattice was evidenced by Starks splitting transitions at 590, 615, 693 nm of Eu3+ ions for the case of 11 at.% Eu3+-doped TbPO4 ·H2O. The results also indicated that both immunoglobulin G-conjugated undoped and Eu3+-doped TbPO4 ·H2O nanowires can be used in the fluorescent immune analysis as a biomedical label maker to identify measles viruses in vaccine testing.

Phase diagram and polarization of stable phases of (Ga1- x In x )2O3

NASA Astrophysics Data System (ADS)

Maccioni, Maria Barbara; Fiorentini, Vincenzo

2016-04-01

The full phase diagram of (Ga1- x In x )2O3 is obtained theoretically. The phases competing for the ground state are monoclinic β (low x), hexagonal (x ˜ 0.5), and bixbyite (large x). Three disconnected mixing regions interlace with two distinct phase-separation regions, and at x ˜ 0.5, the coexistence of hexagonal and β alloys with phase-separated binary components is expected. We also explore the permanent polarization of the phases, but none of them are polar. On the other hand, we find that ɛ-Ga2O3, which was stabilized in recent experiments, is pyroelectric with a large polarization and piezoelectric coupling, and could be used to produce high-density electron gases at interfaces.

Hydrogeochemistry and water quality of the Kordkandi-Duzduzan plain, NW Iran: application of multivariate statistical analysis and PoS index.

PubMed

Soltani, Shahla; Asghari Moghaddam, Asghar; Barzegar, Rahim; Kazemian, Naeimeh; Tziritis, Evangelos

2017-08-18

Kordkandi-Duzduzan plain is one of the fertile plains of East Azarbaijan Province, NW of Iran. Groundwater is an important resource for drinking and agricultural purposes due to the lack of surface water resources in the region. The main objectives of the present study are to identify the hydrogeochemical processes and the potential sources of major, minor, and trace metals and metalloids such as Cr, Mn, Cd, Fe, Al, and As by using joint hydrogeochemical techniques and multivariate statistical analysis and to evaluate groundwater quality deterioration with the use of PoS environmental index. To achieve these objectives, 23 groundwater samples were collected in September 2015. Piper diagram shows that the mixed Ca-Mg-Cl is the dominant groundwater type, and some of the samples have Ca-HCO 3 , Ca-Cl, and Na-Cl types. Multivariate statistical analyses indicate that weathering and dissolution of different rocks and minerals, e.g., silicates, gypsum, and halite, ion exchange, and agricultural activities influence the hydrogeochemistry of the study area. The cluster analysis divides the samples into two distinct clusters which are completely different in EC (and its dependent variables such as Na + , K + , Ca 2+ , Mg 2+ , SO 4 2- , and Cl - ), Cd, and Cr variables according to the ANOVA statistical test. Based on the median values, the concentrations of pH, NO 3 - , SiO 2 , and As in cluster 1 are elevated compared with those of cluster 2, while their maximum values occur in cluster 2. According to the PoS index, the dominant parameter that controls quality deterioration is As, with 60% of contribution. Samples of lowest PoS values are located in the southern and northern parts (recharge area) while samples of the highest values are located in the discharge area and the eastern part.

Magnetic field-temperature phase diagram of multiferroic [(CH3)2NH2] Mn (HCOO) 3

NASA Astrophysics Data System (ADS)

Clune, A. J.; Hughey, K. D.; Lee, C.; Abhyankar, N.; Ding, X.; Dalal, N. S.; Whangbo, M.-H.; Singleton, J.; Musfeldt, J. L.

2017-09-01

We combined pulsed field magnetization and first-principles spin-density calculations to reveal the magnetic field-temperature phase diagram and spin state character in multiferroic [(CH3)2NH2] Mn (HCOO) 3 . Despite similarities with the rare earth manganites, the phase diagram is analogous to other Mn-based quantum magnets with a 0.31 T spin flop, a 15.3 T transition to the fully polarized state, and short-range correlations that persist above the ordering temperature. The experimentally accessible saturation field opens the door to exploration of the high-field phase.

Stability analysis for non-minimally coupled dark energy models in the Palatini formalism

NASA Astrophysics Data System (ADS)

Wang, Zuobin; Wu, Puxun; Yu, Hongwei

2018-06-01

In this paper, we use the method of global analysis to study the stability of de-Sitter solutions in an universe dominated by a scalar field dark energy, which couples non-minimally with the Ricci scalar defined in the Palatini formalism. Effective potential and phase-space diagrams are introduced to describe qualitatively the de-Sitter solutions and their stabilities. We find that for the simple power-law function V(φ)=V0φn there are no stable de-Sitter solutions. While for some more complicated potentials, i.e. V(φ)=V0φn+Λ and V(φ)=V0 (e ^{-λφ}+e^{λφ)2, stable de-Sitter solutions can exist.

Three-Dimensional Honeycomb-Structural LiAlO2-Modified LiMnPO4 Composite with Superior High Rate Capability as Li-Ion Battery Cathodes.

PubMed

Li, Junzhe; Luo, Shaohua; Ding, Xueyong; Wang, Qing; He, Ping

2018-04-04

In the efforts toward the rapidly increasing demands for high-power application, cathode materials with three-dimensional (3D) architectures have been proposed. Here, we report the construction of the 3D LiAlO 2 -LiMnPO 4 /C cathode materials for lithium-ion batteries in an innovation way. The as-prepared 3D active materials LiMnPO 4 /C and the honeycomb-like Li-ion conductor LiAlO 2 framework are used as working electrode directly without additional usage of polymeric binder. The electrochemical performance has been improved significantly due to the special designed core-shell architectures of LiMnPO 4 /C@LiAlO 2 . The 3D binder-free electrode exhibits high rate capability as well as superior cycling stability with a capability of ∼105 mAh g -1 and 98.4% capacity retention after 100 cycles at a high discharge rate of 10 C. Such synthesis method adopted in our work can be further extended to other promising candidates and would also inspire new avenues of development of 3D materials for lithium-ion batteries.

DNA@Mn3(PO4)2 Nanoparticles Supported with Graphene Oxide as Photoelectrodes for Photoeletrocatalysis

NASA Astrophysics Data System (ADS)

Gao, Lixia; Xie, Jiale; Ma, Xiaoqing; Li, Man; Yu, Ling

2017-01-01

A novel deoxyribose nucleic acid (DNA)-based photoelectrode consisting of DNA@Mn3(PO4)2 nanoparticles on graphene oxide (GO) sheets was successfully fabricated for photoelectrocatalysis. DNA served as a soft template to guide the nucleation and growth of Mn3(PO4)2 nanoparticles in the synthesis of Mn3(PO4)2 nanoparticles. More importantly, the DNA also serves as semiconductor materials to adjust charge transport. Under UV light irradiation (180-420 nm, 15 mW/cm2), the photocurrent density of DNA@ Mn3(PO4)2/GO electrodes reached 9 μA/cm2 at 0.7 V bias (vs. SCE). An applied bias photon-to-current efficiency (ABPE) of 0.18% can be achieved, which was much higher than that of other control electrodes (<0.04%). In this DNA-based photoelectrode, well-matched energy levels can efficiently improve charge transfer and reduce the recombination of photogenerated electron-hole pairs.

A chemically activated graphene-encapsulated LiFePO4 composite for high-performance lithium ion batteries.

PubMed

Ha, Jeonghyun; Park, Seung-Keun; Yu, Seung-Ho; Jin, Aihua; Jang, Byungchul; Bong, Sungyool; Kim, In; Sung, Yung-Eun; Piao, Yuanzhe

2013-09-21

A composite of modified graphene and LiFePO4 has been developed to improve the speed of charging-discharging and the cycling stability of lithium ion batteries using LiFePO4 as a cathode material. Chemically activated graphene (CA-graphene) has been successfully synthesized via activation by KOH. The as-prepared CA-graphene was mixed with LiFePO4 to prepare the composite. Microscopic observation and nitrogen sorption analysis have revealed the surface morphologies of CA-graphene and the CA-graphene/LiFePO4 composite. Electrochemical properties have also been investigated after assembling coin cells with the CA-graphene/LiFePO4 composite as a cathode active material. Interestingly, the CA-graphene/LiFePO4 composite has exhibited better electrochemical properties than the conventional graphene/LiFePO4 composite as well as bare LiFePO4, including exceptional speed of charging-discharging and excellent cycle stability. That is because the CA-graphene in the composite provides abundant porous channels for the diffusion of lithium ions. Moreover, it acts as a conducting network for easy charge transfer and as a divider, preventing the aggregation of LiFePO4 particles. Owing to these properties of CA-graphene, LiFePO4 could demonstrate enhanced and stably long-lasting electrochemical performance.

PoSSUM: Polar Suborbital Science in the Upper Mesosphere

NASA Astrophysics Data System (ADS)

Reimuller, J. D.; Fritts, D. C.; Thomas, G. E.; Taylor, M. J.; Mitchell, S.; Lehmacher, G. A.; Watchorn, S. R.; Baumgarten, G.; Plane, J. M.

2013-12-01

Project PoSSUM (www.projectpossum.org) is a suborbital research project leveraging imaging and remote sensing techniques from Reusable Suborbital Launch Vehicles (rSLVs) to gather critical climate data through use of the PoSSUM Observatory and the PoSSUM Aeronomy Laboratory. An acronym for Polar Suborbital Science in the Upper Mesosphere, PoSSUM grew from the opportunity created by the Noctilucent Cloud Imagery and Tomography Experiment, selected by the NASA Flight Opportunities Program as Experiment 46-S in March 2012. This experiment will employ an rSLV (e.g. the XCOR Lynx Mark II) launched from a high-latitude spaceport (e.g. Eielson AFB, Alaska or Kiruna, Sweden) during a week-long deployment scheduled for July 2015 to address critical questions concerning noctilucent clouds (NLCs) through flights that transition the cloud layer where the clouds will be under direct illumination from the sun. The 2015 Project PoSSUM NLC campaign will use the unique capability of rSLVs to address key under-answered questions pertaining to NLCs. Specifically, PoSSUM will answer: 1) What are the small-scale dynamics of NLCs and what does this tell us about the energy and momentum deposition from the lower atmosphere? 2) What is the seasonal variability of NLCs, mesospheric dynamics, and temperatures? 3) Are structures observed in the OH layer coupled with NLC structures? 4) How do NLCs nucleate? and 5) What is the geometry of NLC particles and how do they stratify? Instrumentation will include video and still-frame visible cameras (PoSSUMCam), infrared cameras, a mesospheric temperatures experiment, a depolarization LiDAR, a mesospheric density and temperatures experiment (MCAT), a mesospheric winds experiment, and a meteoric smoke detector (MASS). The instrument suite used on PoSSUM will mature through subsequent campaigns to develop an integrated, modular laboratory (the ';PoSSUM Observatory') that will provide repeatable, low cost, in-situ NLC and aeronomy observations as well

Crystal structure, energy transfer and tunable luminescence properties of Ca8ZnCe(PO4)7:Eu2+,Mn2+ phosphor

NASA Astrophysics Data System (ADS)

Ding, Chong; Tang, Wanjun

2018-02-01

Single-phased Ca8ZnCe(PO4)7:Eu2+,Mn2+ phosphors with whitlockite-type structure have been prepared via the combustion-assisted synthesis technique. The XRD pattern show that the as-obtained phosphors crystallize in a trigonal phase with space group of R-3c (161). Ca8ZnCe(PO4)7 host is full of sensitizers (Ce3+) and the Ce3+ emission at different lattice sites has been discussed. The efficient energy transfers from Ce3+ ions to Eu2+/Mn2+ ions and from Eu2+ to Mn2+ have been validated. Under UV excitation, the emitting color of Ca8ZnCe(PO4)7:Eu2+/Mn2+ samples can be modulated from violet blue to green and from violet blue to red-orange by the energy transfers of Ce3+→Eu2+ and Ce3+→Mn2+, respectively. Additionally, white emission has been obtained through adjusting the relative concentrations of Eu2+ and Mn2+ ions in the Ca8ZnCe(PO4)7 host under UV excitation. These results indicate that as-prepared Ca8ZnCe(PO4)7:Eu2+,Mn2+ may be a potential candidate as color-tunable white light-emitting phosphors.

Effects of mineral additives on biochar formation: carbon retention, stability, and properties.

PubMed

Li, Feiyue; Cao, Xinde; Zhao, Ling; Wang, Jianfei; Ding, Zhenliang

2014-10-07

Biochar is being recognized as a promising tool for long-term carbon sequestration, and biochar with high carbon retention and strong stability is supposed to be explored for that purpose. In this study, three minerals, including kaolin, calcite (CaCO3), and calcium dihydrogen phosphate [Ca(H2PO4)2], were added to rice straw feedstock at the ratio of 20% (w/w) for biochar formation through pyrolysis treatment, aiming to improve carbon retention and stabilization in biochar. Kaolin and CaCO3 had little effect on the carbon retention, whereas Ca(H2PO4)2 increased the carbon retention by up to 29% compared to untreated biochar. Although the carbon loss from the kaolin-modified biochar with hydrogen peroxide oxidation was enhanced, CaCO3 and Ca(H2PO4)2 modification reduced the carbon loss by 18.6 and 58.5%, respectively. Moreover, all three minerals reduced carbon loss of biochar with potassium dichromate oxidation from 0.3 to 38.8%. The microbial mineralization as CO2 emission in all three modified biochars was reduced by 22.2-88.7% under aerobic incubation and 5-61% under anaerobic incubation. Enhanced carbon retention and stability of biochar with mineral treatment might be caused by the enhanced formation of aromatic C, which was evidenced by cross-polarization magic angle spinning (13)C nuclear magnetic resonance spectra and Fourier transform infrared spectroscopy analysis. Our results indicated that the three minerals, especially Ca(H2PO4)2, were effective in increasing carbon retention and strengthening biochar stabilization, which provided a novel idea that people could explore and produce the designated biochar with high carbon sequestration capacity and stability.

Investigations on Zr incorporation into Li3V2(PO4)3/C cathode materials for lithium ion batteries.

PubMed

Sun, Hua-Bin; Zhou, Ying-Xian; Zhang, Lu-Lu; Yang, Xue-Lin; Cao, Xing-Zhong; Arave, Hanu; Fang, Hui; Liang, Gan

2017-02-15

Li 3 V 2 (PO 4 ) 3 /C (LVP/C) composites have been modified by different ways of Zr-incorporation via ultrasonic-assisted solid-state reaction. The difference in the effect on the physicochemical properties and the electrochemical performance of LVP between Zr-doping and ZrO 2 -coating has also been investigated. Compared with pristine LVP/C, Zr-incorporated LVP/C composites exhibit better rate capability and cycling stability. In particular, the LVP/C-Zr electrode delivers the highest initial capacity of 150.4 mA h g -1 at 10C with a capacity retention ratio of 88.4% after 100 cycles. The enhanced electrochemical performance of Zr-incorporated LVP/C samples (LVZrP/C and LVP/C-Zr) is attributed to the increased ionic conductivity and electronic conductivity, the improved stability of the LVP structure, and the decreased charge-transfer resistance.

Li/Ag 2VO 2PO 4 batteries: the roles of composite electrode constituents on electrochemistry

DOE PAGES

Bock, David C.; Bruck, Andrea M.; Pelliccione, Christopher J.; ...

2016-11-01

In this study, we utilize silver vanadium phosphorous oxide, Ag 2VO 2PO 4, as a model system to systematically study the impact of the constituents of a composite electrode, including polymeric and conductive additives, on electrochemistry. Notably, although highly resistive, this bimetallic cathode can be discharged as a pure electroactive material in the absence of a conductive additive as it generates an in situ conductive matrix via a reduction displacement reaction resulting in the formation of silver metal nanoparticles. Also, three different electrode compositions were investigated: Ag 2VO 2PO 4 only, Ag 2VO 2PO 44 with binder, and Ag 2VOmore » 2PO 4 with binder and carbon. Constant current discharge, pulse testing and impedance spectroscopy measurements were used to characterize the electrochemical properties of the electrodes as a function of depth of discharge. In situ EDXRD was used to spatially resolve the discharge progression within the cathode by following the formation of Ag 0. Ex situ XRD and EXAFS modeling were used to quantify the amount of Ag 0 formed. Results indicate that the metal center reduced (V 5+ or Ag +) was highly dependent on composite composition (presence of PTFE, carbon), depth of discharge (Ag 0 nanoparticle formation), and spatial location within the cathode. The addition of a binder was found to increase cell polarization, and the percolation network provided by the carbon in the presence of PTFE was further increased with reduction and formation of Ag 0. Lastly, this study provides insight into the factors controlling the electrochemistry of resistive active materials in composite electrodes.« less

Li/Ag 2VO 2PO 4 batteries: the roles of composite electrode constituents on electrochemistry

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

Bock, David C.; Bruck, Andrea M.; Pelliccione, Christopher J.

In this study, we utilize silver vanadium phosphorous oxide, Ag 2VO 2PO 4, as a model system to systematically study the impact of the constituents of a composite electrode, including polymeric and conductive additives, on electrochemistry. Notably, although highly resistive, this bimetallic cathode can be discharged as a pure electroactive material in the absence of a conductive additive as it generates an in situ conductive matrix via a reduction displacement reaction resulting in the formation of silver metal nanoparticles. Also, three different electrode compositions were investigated: Ag 2VO 2PO 4 only, Ag 2VO 2PO 44 with binder, and Ag 2VOmore » 2PO 4 with binder and carbon. Constant current discharge, pulse testing and impedance spectroscopy measurements were used to characterize the electrochemical properties of the electrodes as a function of depth of discharge. In situ EDXRD was used to spatially resolve the discharge progression within the cathode by following the formation of Ag 0. Ex situ XRD and EXAFS modeling were used to quantify the amount of Ag 0 formed. Results indicate that the metal center reduced (V 5+ or Ag +) was highly dependent on composite composition (presence of PTFE, carbon), depth of discharge (Ag 0 nanoparticle formation), and spatial location within the cathode. The addition of a binder was found to increase cell polarization, and the percolation network provided by the carbon in the presence of PTFE was further increased with reduction and formation of Ag 0. Lastly, this study provides insight into the factors controlling the electrochemistry of resistive active materials in composite electrodes.« less

Thermal-stability studies of electrode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Jiang, Junwei

2005-07-01

The thermal stability of lithium-ion batteries has recently attracted attention for two major reasons. (1) Attempts to make large-size cells used in power tools, E-bikes and EVs. Large cells have lower surface area to volume ratios and hence heat dissipation is more problematic than 18650-size cells. Safety problems, therefore, for large cells are more serious. (2) Next generation high-capacity electrodes will increase the energy density of lithium-ion cells meaning even an 18650-size cell may face safety concerns. This thesis presents studies of the thermal stability of electrode materials in electrolytes to understand their reactivity. A search for new positive electrode materials with high thermal stability was made. The thermal stability of two common electrode materials (Li0.81 C6 and Li0.5CoO2) in lithium-ion cells was studied by Accelerating Rate Calorimeter (ARC). Li0.81C 6 has much lower reactivity with lithium bis(oxalato)borate (LiBOB) electrolyte compared to LiPF6 electrolyte. It is not the case, however, for Li0.5CoO2. Oven tests of full LiCoO 2/C 18650-size cells with LiBOB or LiPF6 electrolytes, confirmed the ARC results. ARC was then used to study the reactivity of existing electrode materials. The thermal stability of a negative electrode material was found to increase with the binding energy of Li atoms hosted in the material. Li0.5VO 2 (B) has a higher lithium binding energy (2.45 eV vs. Li) than Li 0.81C6 (0.1 eV vs. Li) and Li7Ti5O 12 (1.55 eV) and it shows the highest thermal stability in EC/DEC among the three materials. The reactivity of two existing positive electrode materials, LiMn2O4 and LiFePO4, was studied. Cell systems expected to be highly tolerant to thermal abuse were suggested: LiFePO 4/C or Li4Ti5O12 in LiBOB electrolytes. The system, x Li[Ni1/2Mn1/2]O2 • y LiCoO2 • z Li[Li1/3Mn2/3]O2 (x + y + z = 1), was explored for new positive electrode materials with large capacity and high thermal stability. Li[(Ni0.5Mn0.5) xCo1-x]O2 (0

Atomic Layer Deposition Al2O3 Coatings Significantly Improve Thermal, Chemical, and Mechanical Stability of Anodic TiO2 Nanotube Layers

PubMed Central

2017-01-01

We report on a very significant enhancement of the thermal, chemical, and mechanical stability of self-organized TiO2 nanotubes layers, provided by thin Al2O3 coatings of different thicknesses prepared by atomic layer deposition (ALD). TiO2 nanotube layers coated with Al2O3 coatings exhibit significantly improved thermal stability as illustrated by the preservation of the nanotubular structure upon annealing treatment at high temperatures (870 °C). In addition, a high anatase content is preserved in the nanotube layers against expectation of the total rutile conversion at such a high temperature. Hardness of the resulting nanotube layers is investigated by nanoindentation measurements and shows strongly improved values compared to uncoated counterparts. Finally, it is demonstrated that Al2O3 coatings guarantee unprecedented chemical stability of TiO2 nanotube layers in harsh environments of concentrated H3PO4 solutions. PMID:28291942

Phase diagram and decomposition of 1,1-diamino-2,2-dinitroethene single crystals at high pressures and temperatures

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

Dreger, Zbigniew A.; Tao, Yuchuan; Gupta, Yogendra M.

The high pressure-high temperature (HP-HT) phase diagram and decomposition of FOX-7, central to understanding its stability and reactivity, were determined using optical spectroscopy and imaging measurements in hydrostatically compressed and heated single crystals. Boundaries between various FOX-7 phases (α, α’, β, γ, and ε) and melting/decomposition curves were established up to 10 GPa and 750 K. Main findings are: (i) a triple point is observed between α, β, and γ phases ~ 0.6 GPa and ~ 535 K, (ii) previously suggested δ phase is not a new phase but is partly decomposed γ phase, (iii) the α-α’ transition takes placemore » along an isobar, whereas the α’-ε transition pressure decreases with increasing temperature, and (iv) melting/decomposition temperatures increase rapidly with pressure, with an increase in the slope at the onset of the α’-ε transition. Our results differ from the recently reported HP-HT phase diagram for nonhydrostatically compressed polycrystalline FOX-7. In addition, the observed interplay between melting and decomposition suggests the suppression of melting with pressure. Our FTIR measurements at different pressures to 3.5 GPa showed similar decomposition products, suggesting similar decomposition pathways irrespective of the pressure. Lastly, the present results provide new insights into the structural and chemical stability of an important insensitive high explosive (IHE) crystal under well-defined HP-HT conditions.« less

Phase diagram and decomposition of 1,1-diamino-2,2-dinitroethene single crystals at high pressures and temperatures

DOE PAGES

Dreger, Zbigniew A.; Tao, Yuchuan; Gupta, Yogendra M.

2016-05-10

The high pressure-high temperature (HP-HT) phase diagram and decomposition of FOX-7, central to understanding its stability and reactivity, were determined using optical spectroscopy and imaging measurements in hydrostatically compressed and heated single crystals. Boundaries between various FOX-7 phases (α, α’, β, γ, and ε) and melting/decomposition curves were established up to 10 GPa and 750 K. Main findings are: (i) a triple point is observed between α, β, and γ phases ~ 0.6 GPa and ~ 535 K, (ii) previously suggested δ phase is not a new phase but is partly decomposed γ phase, (iii) the α-α’ transition takes placemore » along an isobar, whereas the α’-ε transition pressure decreases with increasing temperature, and (iv) melting/decomposition temperatures increase rapidly with pressure, with an increase in the slope at the onset of the α’-ε transition. Our results differ from the recently reported HP-HT phase diagram for nonhydrostatically compressed polycrystalline FOX-7. In addition, the observed interplay between melting and decomposition suggests the suppression of melting with pressure. Our FTIR measurements at different pressures to 3.5 GPa showed similar decomposition products, suggesting similar decomposition pathways irrespective of the pressure. Lastly, the present results provide new insights into the structural and chemical stability of an important insensitive high explosive (IHE) crystal under well-defined HP-HT conditions.« less

Synthesis, crystal structure and spectroscopy properties of Na 3AZr(PO 4) 3 ( A=Mg, Ni) and Li 2.6Na 0.4NiZr(PO 4) 3 phosphates

NASA Astrophysics Data System (ADS)

Chakir, M.; El Jazouli, A.; de Waal, D.

2006-06-01

Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates were prepared at 750 °C by coprecipitation route. Their crystal structures have been refined at room temperature from X-ray powder diffraction data using Rietveld method. Li 2.6Na 0.4NiZr(PO 4) 3 was synthesized through ion exchange from the sodium analog. These materials belong to the Nasicon-type structure. Raman spectra of Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates present broad peaks in favor of the statistical distribution in the sites around PO 4 tetrahedra. Diffuse reflectance spectra indicate the presence of octahedrally coordinated Ni 2+ ions.

Measurement of cortical functional activation in awake mice using two-photon microscopy and a novel pO2-sensitive probe(Conference Presentation)

NASA Astrophysics Data System (ADS)

Sencan, Ikbal; Esipova, Tatiana V.; Kilic, Kivilcim; Li, Baoqiang; Desjardins, Michèle; Yaseen, Mohammad A.; Wang, Hui; Jaswal, Rajeshwer S.; Kura, Sreekanth; Fu, Buyin; Boas, David A.; Devor, Anna; Sakadžić, Sava; Vinogradov, Sergei A.

2017-02-01

We characterized cortical microvascular PO2 and blood flow changes in response to whisker stimulation in awake mice. The measurements were performed by combining two-photon microscopy imaging of the cortical oxygenation and optical coherence tomography imaging of the cerebral blood flow. In order to perform fast spatio-temporally resolved measurements of PO2, we used a newly-developed oxygen-sensitive probe PtG-2P, which has significantly higher brightness than the established two-photon-enhanced oxygen sensor PtP-C343. We characterized the performance of the new probe in vivo and mapped the amplitudes and shapes (e.g. initial dip, overshoot, and post stimulus undershoot) of the PO2 changes as a function of the vessel type (e.g., arterioles, capillaries, and venules) and a distance from the activation center. The measurements in the awake mice are not affected by the confounding factors of anesthesia on the animal physiology, including the level of cerebral metabolism and the amplitude and speed of neuronal and vascular responses. Our results will help to understand changes in oxygenation and blood flow on the cortical microvascular scale, will lead to improved understanding of the cerebral physiology, pathophysiology and will improve quantitative interpretation of fMRI signals.

Scrutinizing UML Activity Diagrams

NASA Astrophysics Data System (ADS)

Al-Fedaghi, Sabah

Building an information system involves two processes: conceptual modeling of the “real world domain” and designing the software system. Object-oriented methods and languages (e.g., UML) are typically used for describing the software system. For the system analysis process that produces the conceptual description, object-oriented techniques or semantics extensions are utilized. Specifically, UML activity diagrams are the “flow charts” of object-oriented conceptualization tools. This chapter proposes an alternative to UML activity diagrams through the development of a conceptual modeling methodology based on the notion of flow.

E2 enzyme inhibition by stabilization of a low affinity interface with ubiquitin

PubMed Central

St-Cyr, Daniel J.; Ziemba, Amy; Garg, Pankaj; Plamondon, Serge; Auer, Manfred; Sidhu, Sachdev; Marinier, Anne; Kleiger, Gary; Tyers, Mike; Sicheri, Frank

2014-01-01

Weak protein interactions between ubiquitin and the ubiquitin-proteasome system (UPS) enzymes that mediate its covalent attachment to substrates serve to position ubiquitin for optimal catalytic transfer. We show that a small molecule inhibitor of the E2 ubiquitin conjugating enzyme Cdc34A, called CC0651, acts by trapping a weak interaction between ubiquitin and the E2 donor ubiquitin binding site. A structure of the ternary CC0651-Cdc34A-ubiquitin complex reveals that the inhibitor engages a composite binding pocket formed from Cdc34A and ubiquitin. CC0651 also suppresses the spontaneous hydrolysis rate of the Cdc34A-ubiquitin thioester, without overtly affecting the interaction between Cdc34A and the RING domain subunit of the E3 enzyme. Stabilization of the numerous other weak interactions between ubiquitin and UPS enzymes by small molecules may be a feasible strategy to selectively inhibit different UPS activities. PMID:24316736

Synthesis, characterization and optical properties of NH{sub 4}Dy(PO{sub 3}){sub 4}

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

Chemingui, S.; Ferhi, M., E-mail: ferhi.mounir@gmail.com; Horchani-Naifer, K.

2014-09-15

Polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} polyphosphate have been grown by the flux method. This compound was found to be isotopic with NH{sub 4}Ce(PO{sub 3}){sub 4} and RbHo(PO{sub 3}){sub 4}. It crystallizes in the monoclinic space group P2{sub 1/n} with unit cell parameters a=10.474(6) Å, b=9.011(4) Å, c=10.947(7) Å and β=106.64(3)°. The title compound has been transformed to triphosphate Dy(PO{sub 3}){sub 3} after calcination at 800 °C. Powder X-ray diffraction, infrared and Raman spectroscopies and the differential thermal analysis have been used to identify these materials. The spectroscopic properties have been investigated through absorption, excitation, emission spectra and decaymore » curves of Dy{sup 3+} ion in both compounds at room temperature. The emission spectra show the characteristic emission bands of Dy{sup 3+} in the two compounds, before and after calcination. The integrated emission intensity ratios of the yellow to blue (I{sub Y}/I{sub B}) transitions and the chromaticity properties have been determined from emission spectra. The decay curves are found to be double-exponential. The non-exponential behavior of the decay rates was related to the resonant energy transfer as well as cross-relaxation between the donor and acceptor Dy{sup 3+} ions. The determined properties have been discussed as function of crystal structure of both compounds. They reveal that NH{sub 4}Dy(PO{sub 3}){sub 4} is promising for white light generation but Dy(PO{sub 3}){sub 3} is potential candidates in field emission display (FED) and plasma display panel (PDP) devices. - Graphical abstract: The CIE color coordinate diagrams showing the chromatic coordinates of Dy{sup 3+} luminescence in NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3}. - Highlights: • The polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3} are synthesized. • The obtained powders are characterized. • The spectroscopic properties of Dy

UV excited downconversion luminescence properties of Eu3+: NaZnPO4 phosphors

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Lakshmi; Rai, Vineet Kumar

2018-05-01

The structural and optical properties of Eu3+: NaZnPO4 phosphors prepared by chemical coprecipitation method have been studied. The phase formation and morphology of the phosphors have been confirmed by the X-ray diffraction (XRD) and Field emission scanning electron microscopy (FESEM) analysis. The downconversion emission spectra upon 392 nm excitation exhibit five emission bands centred at ˜ 575 nm, ˜ 590 nm, ˜ 612 nm, ˜ 660 nm and ˜ 702 nm corresponding to the 5D0→7F0, 5D0→7F1, 5D0→7F2, 5D0→7F3 and 5D0→7F4 transitions of Eu3+ ions respectively. The observed downconversion emission peaks can be explained with the help of suitable energy level diagram. The CIE chromaticity diagram shows the purity of the emitted colour from the prepared phosphors. The present phosphors emit in intense red region which shows the applicability of the phosphors in red light emitting display devices.

Synthesis, structures and properties of the new lithium cobalt(II) phosphate Li{sub 4}Co(PO{sub 4}){sub 2}

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

Glaum, R., E-mail: rglaum@uni-bonn.de; Gerber, K.; Schulz-Dobrick, M.

2012-04-15

{alpha}-Li{sub 4}Co(PO{sub 4}){sub 2} has been synthesized and crystallized by solid-state reactions. The new phosphate crystallizes in the monoclinic system (P2{sub 1}/a, Z=4, a=8.117(3) Angstrom-Sign , b=10.303(8) Angstrom-Sign , c=8.118(8) Angstrom-Sign , {beta}=104.36(8) Angstrom-Sign ) and is isotypic to {alpha}-Li{sub 4}Zn(PO{sub 4}){sub 2}. The structure of {alpha}-Li{sub 4}Co(PO{sub 4}){sub 2} has been determined from single-crystal X-ray diffraction data {l_brace}R{sub 1}=0.040, wR{sub 2}=0.135, 2278 unique reflections with F{sub o}>4{sigma}(F{sub o}){r_brace}. The crystal structure, which might be regarded as a superstructure of the wurtzite structure type, is build of layers of regular CoO{sub 4}, PO{sub 4} and Li1O{sub 4} tetrahedra. Lithium atomsmore » Li2, Li3 and Li4 are located between these layers. Thermal investigations by in-situ XRPD, DTA/TG and quenching experiments suggest decomposition followed by formation and phase transformation of Li{sub 4}Co(PO{sub 4}){sub 2}: {alpha}-Li{sub 4}Co(PO{sub 4}){sub 2} Long-Rightwards-Double-Arrow {sup 442 Degree-Sign C}{beta}-Li{sub 3}PO{sub 4}+LiCoPO{sub 4} Rightwards-Harpoon-Over-Leftwards-Harpoon {sup 773 Degree-Sign C}{beta}-Li{sub 4}Co(PO{sub 4}){sub 2} Long-Rightwards-Double-Arrow {sup quenchingto25 Degree-Sign C}{alpha}-Li{sub 4} Co(PO{sub 4}){sub 2} According to HT-XRPD at {theta}=850 Degree-Sign C{beta}-Li{sub 4}Co(PO{sub 4}){sub 2} (Pnma, Z=2, 10.3341(8) A, b=6.5829(5) A, c=5.0428(3) Angstrom-Sign ) is isostructural to {gamma}-Li{sub 3}PO{sub 4}. The powder reflectance spectrum of {alpha}-Li{sub 4}Co(PO{sub 4}){sub 2} shows the typical absorption bands for the tetrahedral chromophore [Co{sup II}O{sub 4}]. - Graphical abstract: The complex formation and decomposition behavior of Li{sub 4}Co(PO{sub 4}){sub 2} with temperature has been elucidated. The crystal structure of its {alpha}-phase was determined from single crystal data, HT-XRPD allowed derivation of a structure model for the {beta

Stabilization of polar Mn3O4(001) film on Ag(001): Interplay between kinetic and structural stability

NASA Astrophysics Data System (ADS)

Kundu, Asish K.; Barman, Sukanta; Menon, Krishnakumar S. R.

2017-10-01

Stabilization processes of polar surfaces are often very complex and interesting. Understanding of these processes is crucial as it ultimately determines the properties of the film. Here, by the combined study of Low Energy Electron Diffraction (LEED), X-ray Photoelectron Spectroscopy (XPS) and Ultraviolet Photoemission Spectroscopy (UPS) techniques we show that, although there can be many processes involved in the stabilization of the polar surfaces, in case of Mn3O4(001)/Ag(001), it goes through different reconstructions of the Mn2O4 terminated surface which is in good agreements with the theoretical predictions. The complex surface phase diagram has been probed by LEED as a function of film thickness, oxygen partial pressure and substrate temperature during growth, while their chemical compositions have been probed by XPS. Below a critical film thickness of ∼ 1 unit cell height (8 sublayers or 3 ML) of Mn3O4 and oxygen partial pressure range of 2 × 10-8 mbar < P(O2) ≤ 5 × 10-7 mbar, different surface structures are detected and beyond this thickness a constant evolution of apparent p(2 × 2) structure have been observed due to the coexistence of p(2 × 1) and c(2 × 2) structures. Similar apparent p(2 × 2) structure has also observed by the oxidation of Ag(001)-supported MnO(001) surface. Our study also shows that the substrate temperature during growth plays a crucial role in determining the final structure of the polar Mn3O4 film and as a consequence of that a strong interplay between structural and kinetic stability in the Mn3O4 film has been observed. Further, stripe-like LEED pattern has been observed from the Mn3O4(001) surface, for the film grown at higher oxygen partial pressure (> 5 × 10-7 mbar) and higher temperature UHV annealing. The origin of these stripes has been explained with the help of UPS results.

Photoluminescence studies of high-efficient red-emitting K{sub 2}Y(WO{sub 4})(PO{sub 4}):Eu{sup 3+} phosphor for NUV LED

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

Zhang, Xinguo; State Key Laboratory of Optoelectronic Materials and Technologies, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275; Chen, Mengyang

Highlights: • Novel K{sub 2}Y(WO{sub 4})(PO{sub 4}):Eu{sup 3+} red phosphors were prepared by solid-state method. • Phosphors exhibit strong red light under NUV excitation with quantum efficiency of 70.5 %. • Judd–Ofelt analysis ascertains the presence of Eu{sup 3+} in a highly asymmetric environment. • The red LED prototype was fabricated with KYWP:Eu{sup 3+} phosphor and InGaN chip. - Abstract: A series of high-efficient red-emitting phosphors K{sub 2}Y(WO{sub 4})(PO{sub 4}):Eu{sup 3+} have been successfully synthesized by conventional solid-state reaction, and its photoluminescence (PL) properties have been investigated. The phosphors can be excited efficiently by NUV light, then exhibit strong redmore » emission with quantum efficiency of 70.5%. The concentration quenching takes place at relatively high concentration of Eu{sup 3+} (x = 0.70), which is further confirmed by the variation of decay curves of the entitled phosphors. Judd–Ofelt analysis ascertains the presence of Eu{sup 3+} in a highly asymmetric environment. The phosphor exhibits good thermal stability (92.5% at 100 °C and 84.1% at 180 °C). The red LED prototype fabricated by opyimized-composition K{sub 2}Y(WO{sub 4})(PO{sub 4}):0.70Eu{sup 3+} phosphor and 395 nm-emitting InGaN chips exhibit bright red emission. The results indicate that the K{sub 2}Y(WO{sub 4})(PO{sub 4}):Eu{sup 3+} phosphors are promising red phosphors for NUV LED.« less

Influence of fluid resuscitation on renal microvascular PO2 in a normotensive rat model of endotoxemia

PubMed Central

Johannes, Tanja; Mik, Egbert G; Nohé, Boris; Raat, Nicolaas JH; Unertl, Klaus E; Ince, Can

2006-01-01

Introduction Septic renal failure is often seen in the intensive care unit but its pathogenesis is only partly understood. This study, performed in a normotensive rat model of endotoxemia, tests the hypotheses that endotoxemia impairs renal microvascular PO2 (μPO2) and oxygen consumption (VO2,ren), that endotoxemia is associated with a diminished kidney function, that fluid resuscitation can restore μPO2, VO2,ren and kidney function, and that colloids are more effective than crystalloids. Methods Male Wistar rats received a one-hour intravenous infusion of lipopolysaccharide, followed by resuscitation with HES130/0.4 (Voluven®), HES200/0.5 (HES-STERIL® ® 6%) or Ringer's lactate. The renal μPO2 in the cortex and medulla and the renal venous PO2 were measured by a recently published phosphorescence lifetime technique. Results Endotoxemia induced a reduction in renal blood flow and anuria, while the renal μPO2 and VO2,ren remained relatively unchanged. Resuscitation restored renal blood flow, renal oxygen delivery and kidney function to baseline values, and was associated with oxygen redistribution showing different patterns for the different compounds used. HES200/0.5 and Ringer's lactate increased the VO2,ren, in contrast to HES130/0.4. Conclusion The loss of kidney function during endotoxemia could not be explained by an oxygen deficiency. Renal oxygen redistribution could for the first time be demonstrated during fluid resuscitation. HES130/0.4 had no influence on the VO2,ren and restored renal function with the least increase in the amount of renal work. PMID:16784545

Real-time monitoring of ischemic and contralateral brain pO2 during stroke by variable length multisite resonators

PubMed Central

Hou, Huagang; Li, Hongbin; Dong, Ruhong; Khan, Nadeem; Swartz, Harold

2014-01-01

Purpose Electron paramagnetic resonance (EPR) oximetry using variable length multi-probe implantable resonator (IR), was used to investigate the temporal changes in the ischemic and contralateral brain pO2 during stroke in rats. Material and Methods The EPR signal to noise ratio (S/N) of the IR with four sensor loops at a depth of up to11 mm were compared with direct implantation of lithium phthalocyanine (LiPc, oximetry probe) deposits in vitro. These IRs were used to follow the temporal changes in pO2 at two sites in each hemisphere during ischemia induced by left middle cerebral artery occlusion (MCAO) in rats breathing 30% O2 or 100% O2. Results The S/N ratios of the IRs were significantly greater than the LiPc deposits. A similar pO2 at two sites in each hemisphere prior to the onset of ischemia was observed in rats breathing 30% O2. However, a significant decline in the pO2 of the left cortex and striatum occurred during ischemia but no change in the pO2 of the contralateral brain was observed. A significant increase in the pO2 of only the contralateral non-ischemic brain was observed in the rats breathing 100% O2. No significant difference in the infarct volume was evident between the animals breathing 30% O2 or 100% O2 during ischemia. Conclusions EPR oximetry with IRs can repeatedly assess temporal changes in the brain pO2 at four sites simultaneously during stroke. This oximetry approach can be used to test and develop interventions to rescue ischemic tissue by modulating cerebral pO2 during stroke. PMID:24629514

A frogspawn-inspired hierarchical porous NaTi2(PO4)3-C array for high-rate and long-life aqueous rechargeable sodium batteries

NASA Astrophysics Data System (ADS)

Zhao, Baidan; Lin, Bo; Zhang, Sen; Deng, Chao

2015-11-01

Hollow micro/nano-arrays have attracted tremendous attention in the field of energy conversion and storage, but such structures usually compromise the volumetric energy density of the electrode materials. Frogspawn consists of a spawn core and a transparent jelly shell organized in a hierarchical porous array, which exhibits superior mechanical strength and high-efficiency oxygen permeability. It can be used as a model for designing a new high-performance electrode material, which has advantages such as a high surface area, fast mass transport and superior durability. Herein, we report a frogspawn-like NaTi2(PO4)3/C array prepared by a facile preform impregnation strategy. The framework is formed by a hollow carbon sphere connected by the NaTi2(PO4)3/C skeleton, and its hollow is filled with the NaTi2(PO4)3 nanospheres. The whole hierarchical porous three-dimensional array copies the structure of a frogspawn. This unique structure not only enables easy electrolyte percolation and fast electron/ion transport, but also enhances the reversible capacity and cycling durability. When it is applied as an anode of the aqueous sodium ion battery, it exhibits favorable high rate capability and superior cycling stability, and retains 89% of the initial capacity after two thousand cycles at 20 C. Moreover, the full cell using the frogspawn-inspired NaTi2(PO4)3-C as the anode and Na0.44MnO2 as the cathode is capable of ultralong cycling up to one thousand cycles at alternate 10 and 60 C, which is among the best of state-of-the-art aqueous sodium ion systems. Therefore, the frogspawn-inspired architecture provides a new strategy to the tailored design of polyanion materials for high-power applications.Hollow micro/nano-arrays have attracted tremendous attention in the field of energy conversion and storage, but such structures usually compromise the volumetric energy density of the electrode materials. Frogspawn consists of a spawn core and a transparent jelly shell organized in

In vitro corrosion behavior and in vivo biodegradation of biomedical β-Ca3(PO4)2/Mg-Zn composites.

PubMed

Yu, Kun; Chen, Liangjian; Zhao, Jun; Li, Shaojun; Dai, Yilong; Huang, Qiao; Yu, Zhiming

2012-07-01

In this study 5, 10 and 15% β-Ca(3)(PO(4))(2)/Mg-Zn composites were prepared through powder metallurgy methods, and their corrosion behavior and mechanical properties were studied in simulated body fluid (SBF) at 37°C. The 10% β-Ca(3)(PO(4))(2)/Mg-Zn composite was selected for cytocompatibility assessment and in vivo biodegradation testing. The results identified the α-Mg, MgZn and β-Ca(3)(PO(4))(2) phases in these sintered composites. The density and elastic modulus of the β-Ca(3)(PO(4))(2)/Mg-6% Zn composite match those of natural bone, and the strength is approximately double that of natural bone. The 10% β-Ca(3)(PO(4))(2)/Mg-6% Zn composites exhibit good corrosion resistance, as determined by a 30 day immersion test and electrochemical measurements in SBF at 37°C. The 10% β-Ca(3)(PO(4))(2)/Mg-6% Zn composite is safe for cellular applications, with a cytotoxicity grade of ∼0-1 against L929 cells in in vitro testing. The β-Ca(3)(PO(4))(2)/Mg-6% Zn composite also exhibits good biocompatibility with the tissue and the important visceral organs the heart, kidney and liver of experimental rabbits. The composite has a suitable degradation rate and improves the concrescence of a pre-broken bone. The corrosion products, such as Mg(OH)(2) and Ca(5)(PO(4))(6)(OH)(2), can improve the biocompatibility of the β-Ca(3)(PO(4))(2)/Mg-Zn composite. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The capacity fading mechanism and improvement of cycling stability in MoS2-based anode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Shu, Haibo; Li, Feng; Hu, Chenli; Liang, Pei; Cao, Dan; Chen, Xiaoshuang

2016-01-01

Two-dimensional (2D) layered MoS2 nanosheets possess great potential as anode materials for lithium ion batteries (LIBs), but they still suffer from poor cycling performance. Improving the cycling stability of electrode materials depends on a deep understanding of their dynamic structural evolution and reaction kinetics in the lithiation process. Herein, thermodynamic phase diagrams and the lithiation dynamics of MoS2-based nanostructures with the intercalation of lithium ions are studied by using first-principles calculations and ab initio molecular dynamics simulations. Our results demonstrate that the continuous intercalation of Li ions induces structural destruction of 2H phase MoS2 nanosheets in the discharge process that follows a layer-by-layer dissociation mechanism. Meanwhile, the intercalation of Li ions leads to a structural transition of MoS2 nanosheets from the 2H to the 1T phase due to the ultralow transition barriers (~0.1 eV). We find that the phase transition can slow down the dissociation of MoS2 nanosheets during lithiation. The result can be applied to explain extensive experimental observation of the fast capacity fading of MoS2-based anode materials between the first and the subsequent discharges. To suppress the dissociation of MoS2 nanosheets in the lithiation process, we propose a strategy by constructing a sandwich-like graphene/MoS2/graphene structure that indicates high chemical stability, superior conductivity, and high Li-ion mobility in the charge/discharge process, implying the possibility to induce an improvement in the anode cycling performance. This work opens a new route to rational design layered transition-metal disulfide (TMD) anode materials for LIBs with superior cycling stability and electrochemical performance.Two-dimensional (2D) layered MoS2 nanosheets possess great potential as anode materials for lithium ion batteries (LIBs), but they still suffer from poor cycling performance. Improving the cycling stability of

Phase Diagram of Quaternary System NaBr-KBr-CaBr2-H2O at 323 K

NASA Astrophysics Data System (ADS)

Cui, Rui-Zhi; Wang, Wei; Yang, Lei; Sang, Shi-Hua

2018-03-01

The phase equilibria in the system NaBr-KBr-CaBr2-H2O at 323 K were studied using the isothermal dissolution equilibrium method. Using the experimental solubilities of salts data, phase diagram was constructed. The phase diagram have two invariant points, five univariant curves, and four crystallization fields. The equilibrium solid phases in the system are NaBr, NaBr · 2H2O, KBr, and CaBr2 · 4H2O. The solubilities of salts in the system at 323 K were calculated by Pitzer's equation. There is shown that the calculated solubilities agree well with experimental data.

Diagrams benefit symbolic problem-solving.

PubMed

Chu, Junyi; Rittle-Johnson, Bethany; Fyfe, Emily R

2017-06-01

The format of a mathematics problem often influences students' problem-solving performance. For example, providing diagrams in conjunction with story problems can benefit students' understanding, choice of strategy, and accuracy on story problems. However, it remains unclear whether providing diagrams in conjunction with symbolic equations can benefit problem-solving performance as well. We tested the impact of diagram presence on students' performance on algebra equation problems to determine whether diagrams increase problem-solving success. We also examined the influence of item- and student-level factors to test the robustness of the diagram effect. We worked with 61 seventh-grade students who had received 2 months of pre-algebra instruction. Students participated in an experimenter-led classroom session. Using a within-subjects design, students solved algebra problems in two matched formats (equation and equation-with-diagram). The presence of diagrams increased equation-solving accuracy and the use of informal strategies. This diagram benefit was independent of student ability and item complexity. The benefits of diagrams found previously for story problems generalized to symbolic problems. The findings are consistent with cognitive models of problem-solving and suggest that diagrams may be a useful additional representation of symbolic problems. © 2017 The British Psychological Society.

Fragile morphotropic phase boundary and phase stability in the near-surface region of the relaxor ferroelectric (1 -x ) Pb (Z n1 /3N b2 /3) O3-x PbTi O3 : [001] field-cooled phase diagrams

NASA Astrophysics Data System (ADS)

Wang, Yaojin; Wang, Ding; Yuan, Guoliang; Ma, He; Xu, Feng; Li, Jiefang; Viehland, D.; Gehring, Peter M.

2016-11-01

We have examined the effects of field cooling on the phase diagram of the relaxor system (1 -x ) Pb (Z n1 /3N b2 /3) O3-x PbTi O3 (PZN-x PT ) for compositions near the morphotropic phase boundary (MPB). High-resolution diffraction measurements using Cu Kα x rays, which probe ≈3 μ m below the crystal surface, were made on field-cooled (FC) single-crystal specimens of PZN-4.5 %PT and PZN-6.5 %PT under electric fields of 1 and 2 kV/cm applied along [001] and combined with previous neutron diffraction data, which probe the entire crystal volume, for FC PZN-8 %PT [Ohwada et al., Phys. Rev. B 67, 094111 (2003), 10.1103/PhysRevB.67.094111]. A comparison to the zero-field-cooled (ZFC) PZN-x PT phase diagram reveals several interesting features: (1) The short-range monoclinic phase observed in the ZFC state on the low-PT side of the MPB is replaced by a monoclinic MA phase; (2) field cooling extends the tetragonal phase to higher temperatures and lower-PT concentrations; (3) the orthorhombic phase near the MPB is replaced by a monoclinic MC phase; (4) the vertical MPB in the ZFC phase diagram bends significantly towards the low-PT side in the FC state. These results demonstrate that both the phase stability and the nature of the MPB in PZN-PT within the near-surface regions are fragile in the presence of electric fields.

Three-Dimensional LiMnPO4·Li3V2(PO4)3/C Nanocomposite as a Bicontinuous Cathode for High-Rate and Long-Life Lithium-Ion Batteries.

PubMed

Luo, Yanzhu; Xu, Xu; Zhang, Yuxiang; Pi, Yuqiang; Yan, Mengyu; Wei, Qiulong; Tian, Xiaocong; Mai, Liqiang

2015-08-12

Olivine-type LiMnPO4 has been extensively studied as a high-energy density cathode material for lithium-ion batteries. To improve both the ionic and electronic conductivities of LiMnPO4, a series of carbon-decorated LiMnPO4·Li3V2(PO4)3 nanocomposites are synthesized by a facile sol-gel method combined with the conventional solid-state method. The optimized composite presents a three-dimensional hierarchical structure with active nanoparticles well-embedded in a conductive carbon matrix. The combination of the nanoscale carbon coating and the microscale carbon network could provide a more active site for electrochemical reaction, as well as a highly conductive network for both electron and lithium-ion transportation. When cycled at 20 C, an initial specific capacity of 103 mA h g(-1) can be obtained and the capacity retention reaches 68% after 3000 cycles, corresponding to a capacity fading of 0.013% per cycle. The stable capacity and excellent rate capability make this carbon-decorated LiMnPO4·Li3V2(PO4)3 nanocomposite a promising cathode for lithium-ion batteries.

Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).

PubMed

Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon

2004-05-21

Hydrothermal reactions of Na3VO4, an appropriate Cu(II) source, bisterpy and an organodiphosphonate, H2O3P(CH2)nPO3H2 (n = 1-6) yielded a family of materials of the type [Cu2(bisterpy)]4+/VxOy(n-)/[O3P(CH2)nPO3]4-. This family of bimetallic oxides is characterized by an unusual structural diversity. The oxides [[Cu2(bisterpy)]V2O4[O3PCH2PO3H]2] (1), [[Cu2(bisterpy)(H2O)]VO2[O3P(CH2)3PO3][HO3P(CH2)3PO3H2

High pressure behavior of complex phosphate K2Ce[PO4]2: Grüneisen parameter and anharmonicity properties

NASA Astrophysics Data System (ADS)

Mishra, Karuna Kara; Bevara, Samatha; Ravindran, T. R.; Patwe, S. J.; Gupta, Mayanak K.; Mittal, Ranjan; Krishnan, R. Venkata; Achary, S. N.; Tyagi, A. K.

2018-02-01

Herein we reported structural stability, vibrational and thermal properties of K2Ce[PO4]2, a relatively underexplored complex phosphate of tetravalent Ce4+ from in situ high-pressure Raman spectroscopic investigations up to 28 GPa using a diamond anvil cell. The studies identified the soft phonons that lead to a reversible phase transformation above 8 GPa, and a phase coexistence of ambient (PI) and high pressure (PII) phases in a wider pressure region 6-11 GPa. From a visual representation of the computed eigen vector displacements, the Ag soft mode at 82 cm-1 is assigned as a lattice mode of K+ cation. Pressure-induced positional disorder is apparent from the substantial broadening of internal modes and the disappearance of low frequency lattice and external modes in phase PII above 18 GPa. Isothermal mode Grüneisen parameters γi of the various phonon modes are calculated and compared for several modes. Using these values, thermal properties such as average Grüneisen parameter, and thermal expansion coefficient are estimated as 0.47, and 2.5 × 10-6 K-1, respectively. The specific heat value was estimated from all optical modes obtained from DFT calculations as 314 J-mol-1 K-1. Our earlier reported temperature dependence of phonon frequencies is used to decouple the "true anharmonic" (explicit contribution at constant volume) and "quasi harmonic" (implicit contribution brought out by volume change) contributions from the total anharmonicity. In addition to the 81 cm-1 Ag lattice mode, several other lattice and external modes of PO43- ions are found to be strongly anharmonic.

Examining competing hypotheses for the effects of diagrams on recall for text.

PubMed

Ortegren, Francesca R; Serra, Michael J; England, Benjamin D

2015-01-01

Supplementing text-based learning materials with diagrams typically increases students' free recall and cued recall of the presented information. In the present experiments, we examined competing hypotheses for why this occurs. More specifically, although diagrams are visual, they also serve to repeat information from the text they accompany. Both visual presentation and repetition are known to aid students' recall of information. To examine to what extent diagrams aid recall because they are visual or repetitive (or both), we had college students in two experiments (n = 320) read a science text about how lightning storms develop before completing free-recall and cued-recall tests over the presented information. Between groups, we manipulated the format and repetition of target pieces of information in the study materials using a 2 (visual presentation of target information: diagrams present vs. diagrams absent) × 2 (repetition of target information: present vs. absent) between-participants factorial design. Repetition increased both the free recall and cued recall of target information, and this occurred regardless of whether that repetition was in the form of text or a diagram. In contrast, the visual presentation of information never aided free recall. Furthermore, visual presentation alone did not significantly aid cued recall when participants studied the materials once before the test (Experiment 1) but did when they studied the materials twice (Experiment 2). Taken together, the results of the present experiments demonstrate the important role of repetition (i.e., that diagrams repeat information from the text) over the visual nature of diagrams in producing the benefits of diagrams for recall.

Polytherm of the CO(NH2)2-KNO3-H2O phase diagram

NASA Astrophysics Data System (ADS)

Yulina, I. V.; Trunin, A. S.

2017-05-01

The crystallization polytherm of the ternary CO(NH2)2-KNO3-H2O system is plotted for the first time via visual polythermal analysis and calculating ternary eutonics characteristics from data on the boundary elements of two-component systems. The ternary eutonics modeling error does not exceed 3.5%. In addition to the crystallization fields of individual components, the field of the redox reaction that occurs in the system between potassium nitrate and carbamide is shown in the CO(NH2)2-KNO3-H2O diagram by a dashed outline.