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Sample records for li surub hollywoodi

  1. Li(+) solvation in glyme-Li salt solvate ionic liquids.

    PubMed

    Ueno, Kazuhide; Tatara, Ryoichi; Tsuzuki, Seiji; Saito, Soshi; Doi, Hiroyuki; Yoshida, Kazuki; Mandai, Toshihiko; Matsugami, Masaru; Umebayashi, Yasuhiro; Dokko, Kaoru; Watanabe, Masayoshi

    2015-03-28

    Certain molten complexes of Li salts and solvents can be regarded as ionic liquids. In this study, the local structure of Li(+) ions in equimolar mixtures ([Li(glyme)]X) of glymes (G3: triglyme and G4: tetraglyme) and Li salts (LiX: lithium bis(trifluoromethanesulfonyl)amide (Li[TFSA]), lithium bis(pentafluoroethanesulfonyl)amide (Li[BETI]), lithium trifluoromethanesulfonate (Li[OTf]), LiBF4, LiClO4, LiNO3, and lithium trifluoroacetate (Li[TFA])) was investigated to discriminate between solvate ionic liquids and concentrated solutions. Raman spectra and ab initio molecular orbital calculations have shown that the glyme molecules adopt a crown-ether like conformation to form a monomeric [Li(glyme)](+) in the molten state. Further, Raman spectroscopic analysis allowed us to estimate the fraction of the free glyme in [Li(glyme)]X. The amount of free glyme was estimated to be a few percent in [Li(glyme)]X with perfluorosulfonylamide type anions, and thereby could be regarded as solvate ionic liquids. Other equimolar mixtures of [Li(glyme)]X were found to contain a considerable amount of free glyme, and they were categorized as traditional concentrated solutions. The activity of Li(+) in the glyme-Li salt mixtures was also evaluated by measuring the electrode potential of Li/Li(+) as a function of concentration, by using concentration cells against a reference electrode. At a higher concentration of Li salt, the amount of free glyme diminishes and affects the electrode reaction, leading to a drastic increase in the electrode potential. Unlike conventional electrolytes (dilute and concentrated solutions), the significantly high electrode potential found in the solvate ILs indicates that the solvation of Li(+) by the glyme forms stable and discrete solvate ions ([Li(glyme)](+)) in the molten state. This anomalous Li(+) solvation may have a great impact on the electrode reactions in Li batteries.

  2. Solubility of Li/sub 2/S in LiF-LiCl-LiBr electrolyte: measurements and calculations

    SciTech Connect

    Tomczuk, Z.; Vissers, D.R.; Saboungi, M.L.

    1983-01-01

    High performance lithium-alloy/iron sulfide cells are currently being developed at Argonne National Laboratory and at several industrial firms for electric vehicle propulsion. These cells operate at high temperatures and utilize Li-Al or Li-Si negative electrodes, FeS positive electrodes, and a molten salt electrolyte. In the early work, the molten salt was the LiCl-KCl eutectic (58.2 mol % LiCl-41.8 mol % KCl), but in recent work various electrolyte compositions have been used, i.e., LiCl-rich LiCl--KCl (typically 67 mole % LiCl), LiF-LiCl-KCl, or LiF-LiCl-LiBr (1). The use of these electrolytes requires cell operating temperatures in the range of 703-773 K. As these cells are cycled, it has been shown that, when LiCl-KCl electrolytes were used, local electrolyte compositional changes occurred because of ion transport processes and chemical reactions in the cells. However, despite the temperature or the nature of the electrolyte, iron and lithium sulfide are the final discharge products. Thus, a systematic investigation of the solubility of Li/sub 2/S in a variety of electrolytes containing LiCl as a function of temperature is of technological importance in the development of these cells. We report new solubility measurements of Li/sub 2/S in the LiF-LiCl--LiBr eutectic solution (22 mol %-31 mol %-47 mol %) at 739 and 773 K. The observed increase of Li/sub 2/S solubility as the solvent is changed from LiCl-KCl to LiF-LiCl-LiBr and then to LiF-LiCl is explained in terms of known molten salt theories.

  3. Presence of Li Clusters in Molten LiCl-Li

    NASA Astrophysics Data System (ADS)

    Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; Willit, James L.; Motsegood, Perry N.; Chidambaram, Dev

    2016-05-01

    Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. In the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. This observation is indicative of a nanofluid type colloidal suspension of Li8 in a molten salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable.

  4. Presence of Li Clusters in Molten LiCl-Li.

    PubMed

    Merwin, Augustus; Phillips, William C; Williamson, Mark A; Willit, James L; Motsegood, Perry N; Chidambaram, Dev

    2016-05-05

    Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. In the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. This observation is indicative of a nanofluid type colloidal suspension of Li8 in a molten salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable.

  5. Presence of Li clusters in molten LiCl-Li

    DOE PAGES

    Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; ...

    2016-05-05

    Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. ln the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. Furthermore, this observation is indicative of a nanofluid type colloidal suspension of Li8, in a molten salt matrix.more » It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable.« less

  6. Presence of Li clusters in molten LiCl-Li

    SciTech Connect

    Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; Willit, James L.; Motsegood, Perry N.; Chidambaram, Dev

    2016-05-05

    Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. ln the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. Furthermore, this observation is indicative of a nanofluid type colloidal suspension of Li8, in a molten salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable.

  7. Presence of Li Clusters in Molten LiCl-Li

    PubMed Central

    Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; Willit, James L.; Motsegood, Perry N.; Chidambaram, Dev

    2016-01-01

    Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. In the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. This observation is indicative of a nanofluid type colloidal suspension of Li8 in a molten salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable. PMID:27145895

  8. Madame Li Li: Communist Revolutionary, Adult Educator, Lifelong Learner

    ERIC Educational Resources Information Center

    Boshier, Roger; Huang, Yan

    2009-01-01

    Prior to 1949 the Chinese Communist Party orchestrated innovative and participatory forms of adult education. This article concerns Madame Li Li, a leading Chinese Communist woman adult educator. Western delegates at the International Council for Adult Education 1984 Shanghai symposium on adult education were fascinated by Madame Li Li because,…

  9. Madame Li Li: Communist Revolutionary, Adult Educator, Lifelong Learner

    ERIC Educational Resources Information Center

    Boshier, Roger; Huang, Yan

    2009-01-01

    Prior to 1949 the Chinese Communist Party orchestrated innovative and participatory forms of adult education. This article concerns Madame Li Li, a leading Chinese Communist woman adult educator. Western delegates at the International Council for Adult Education 1984 Shanghai symposium on adult education were fascinated by Madame Li Li because,…

  10. With or without "Li."

    ERIC Educational Resources Information Center

    Wang, Mingquan

    1990-01-01

    Demonstrates how the important distinction between the locative and nonlocative implication of a noun is essential for the presence of the Chinese locative particle "li," identifying groups of nouns that can not take the particle, nouns that optionally use the particle, and nouns that must use the particle. (CB)

  11. Line Intercept (LI)

    Treesearch

    John F. Caratti

    2006-01-01

    The FIREMON Line Intercept (LI) method is used to assess changes in plant species cover for a macroplot. This method uses multiple line transects to sample within plot variation and quantify statistically valid changes in plant species cover and height over time. This method is suited for most forest and rangeland communities, but is especially useful for sampling...

  12. Mass of Li11 from the H1(Li11,Li9)H3 reaction

    NASA Astrophysics Data System (ADS)

    Roger, T.; Savajols, H.; Tanihata, I.; Mittig, W.; Alcorta, M.; Bandyopadhyay, D.; Bieri, R.; Buchmann, L.; Caamaño, M.; Davids, B.; Galinski, N.; Gallant, A.; Howell, D.; Kanungo, R.; Mills, W.; Mythili, S.; Notani, M.; Openshaw, R.; Padilla-Rodal, E.; Roussel-Chomaz, P.; Ruprecht, G.; Savard, G.; Sheffer, G.; Shotter, A. C.; Trinczek, M.; Walden, P.

    2009-03-01

    The mass of Li11 has been determined from Q-value measurements of the H1(Li11,Li9)H3 reaction. The experiment was performed at TRIUMF laboratory with the GANIL active target MAYA. Energy-energy and angle-angle kinematics reconstruction give a Q value of 8.119(22) MeV for the reaction. The derived Li11 two-neutron separation energy is S2n=363(22) keV.

  13. Excited states in ^9Li from d(^8Li,p)^9Li

    NASA Astrophysics Data System (ADS)

    Rehm, K. E.; Greene, J. P.; Henderson, D. J.; Janssens, R. V. F.; Jiang, C. L.; Moore, E. F.; Pardo, R. C.; Peterson, D.; Pieper, S. C.; Savard, G.; Schiffer, J. P.; Sinha, S.; Tang, X.; Wiringa, R. W.; Wuosmaa, A. H.; Jisonna, L.; Segel, R. E.; Paul, M.

    2004-10-01

    We have studied levels in ^9Li from the d(^8Li,p)^9Li reaction using an unstable ^8Li beam produced at the ATLAS "in-flight" production facility at Argonne National Laboratory. The ^8Li beam bombarded a solid CD2 target. Protons from the d(^8Li,p)^9Li reaction were detected at backward angles in the laboratory using segmented silicon detectors, in coincidence with forward scattered ^7,8,9Li ions. The neutron spectroscopic factors determined from the d(^8Li,p)^9Li reaction can be used as a sensitive test for modern calculations of the structure of ^9Li. Experimental proton angular distributions for low-lying levels in ^9Li will be presented and compared with theoretical predictions. Work Supported by the U. S. DOE, Office of Nuclear Physics, Contract numbers W-31-109-ENG-38 (ANL), DE-FG02-04R41320 (WMU) and DE-FG02-98ER4106 (NWU), and the Faculty Research and Creative Activities Fund, Western Michigan University (WMU).

  14. Li-Fraumeni syndrome.

    PubMed

    Ossa, Carlos Andrés; Molina, Gustavo; Cock-Rada, Alicia María

    2016-06-03

    The Li-Fraumeni syndrome is characterized clinically by the appearance of tumors in multiple organs generally at an early age. This hereditary condition is caused by germinal mutations in the TP53 gene, which codifies for the tumoural suppressor gene p53. We present the case of a patient aged 31 with clinical and molecular diagnosis of Li-Fraumeni syndrome who presented two synchronous tumors: a leiomyosarcoma on the forearm and a phyllodes breast tumour. She had a family history of cancer, including a son diagnosed with a cortical adrenal carcinoma when he was three years old, who died at five from the disease. Furthermore, her maternal grandmother and great-grandmother died of stomach cancer at 56 and 60 years old, respectively, while her other great-grandmother and a great aunt presented with breast cancer at the ages of 60 and 40, respectively. After genetic counseling, complete sequencing and analysis of duplications and deletions in the TP53 gene were ordered prior to diagnosis. The molecular analysis of a DNA sample taken from peripheral blood lymphocytes revealed the germinal mutation c.527G>T (p.Cys176Phe) on exon 5 of the TP53 gene, a deleterious mutation described previously in tumoural tissues. To our knowledge, this is the first published case in Colombia of Li-Fraumeni syndrome with confirmed molecular diagnosis. The diagnosis and management of Li-Fraumeni syndrome should be performed by a multidisciplinary team, and genetic counselling should be offered to patients and their relatives.

  15. 7Li NMR on Li intercalated carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Schmid, M.; Goze-Bac, C.; Mehring, M.; Roth, S.

    2005-09-01

    Solid state 7Li Nuclear Magnetic Resonance (NMR) measurements were performed on lithium intercalated single wall carbon nanotubes (SWNT). The temperature dependence of the static spectra, as well as the spin-lattice relaxation behavior of the intercalated Li nuclei reveal two coexisting kinds of Li intercalation sites. Our results can be interpreted in terms of a staging phenomenon similar to graphite intercalation compounds (GIC).

  16. Invariant-mass spectroscopy of 10Li and 11Li

    NASA Astrophysics Data System (ADS)

    Zinser, M.; Humbert, F.; Nilsson, T.; Schwab, W.; Simon, H.; Aumann, T.; Borge, M. J. G.; Chulkov, L. V.; Cub, J.; Elze, Th. W.; Emling, H.; Geissel, H.; Guillemaud-Mueller, D.; Hansen, P. G.; Holzmann, R.; Irnich, H.; Jonson, B.; Kratz, J. V.; Kulessa, R.; Leifels, Y.; Lenske, H.; Magel, A.; Mueller, A. C.; Münzenberg, G.; Nickel, F.; Nyman, G.; Richter, A.; Riisager, K.; Scheidenberger, C.; Schrieder, G.; Stelzer, K.; Stroth, J.; Surowiec, A.; Tengblad, O.; Wajda, E.; Zude, E.

    1997-02-01

    Break-up of secondary 11Li ion beams (280 MeV/nucleon) on C and Pb targets into 9Li and neutrons is studied experimentally. Cross sections and neutron multiplicity distributions are obtained, characterizing different reaction mechanisms. Invariant-mass spectroscopy for 11Li and 10Li is performed. The E1 strength distribution, deduced from electromagnetic excitation of 11Li up to an excitation energy of 4 MeV comprises ˜8% of the Thomas-Reiche-Kuhn energy-weighted sumrule strength. Two low-lying resonance-like structures are observed for 10Li at decay energies of 0.21(5) and 0.62(10) MeV, the former one carrying 26(10)% of the strength and likely to be associated with an s-wave neutron decay. A strong di-neutron correlation in 11Li can be discarded. Calculations in a quasi-particle RPA approach are compared with the experimental results for 10Li and 11Li.

  17. Calorimetric studies of Cu-Li, Li-Sn, and Cu-Li-Sn.

    PubMed

    Fürtauer, S; Tserenjav, E; Yakymovych, A; Flandorfer, H

    2013-06-01

    Integral molar enthalpies of mixing were determined by drop calorimetry for Cu-Li-Sn at 1073 K along five sections xCu/xSn ≈ 1:1, xCu/xSn ≈ 2:3, xCu/xSn ≈ 1:4, xLi/xSn ≈ 1:1, and xLi/xSn ≈ 1:4. The integral and partial molar mixing enthalpies of Cu-Li and Li-Sn were measured at the same temperature, for Li-Sn in addition at 773 K. All binary data could be described by Redlich-Kister-polynomials. Cu-Li shows an endothermic mixing effect with a maximum in the integral molar mixing enthalpy of ∼5300 J · mol(-1) at xCu = 0.5, Li-Sn an exothermic minimum of ∼ -37,000 J · mol(-1) at xSn ∼ 0.2. For Li-Sn no significant temperature dependence between 773 K and 1073 K could be deduced. Our measured ternary data were fitted on the basis of an extended Redlich-Kister-Muggianu model for substitutional solutions. Additionally, a comparison of these results to the extrapolation model of Chou is given.

  18. Lithium salts for advanced lithium batteries: Li-metal, Li-O2, and Li-S

    SciTech Connect

    Younesi, Reza; Veith, Gabriel M.; Johansson, Patrik; Edstrom, Kristina; Vegge, Tejs

    2015-06-01

    Presently lithium hexafluorophosphate (LiPF6) is the dominant Li-salt used in commercial rechargeable lithium-ion batteries (LIBs) based on a graphite anode and a 3-4 V cathode material. While LiPF6 is not the ideal Li-salt for every important electrolyte property, it has a uniquely suitable combination of properties (temperature range, passivation, conductivity, etc.) rendering it the overall best Li-salt for LIBs. However, this may not necessarily be true for other types of Li-based batteries. Indeed, next generation batteries, for example lithium-metal (Li-metal), lithium-oxygen (Li-O2), and lithium sulphur (Li-S), require a re-evaluation of Li-salts due to the different electrochemical and chemical reactions and conditions within such cells. Furthermore, this review explores the critical role Li-salts play in ensuring in these batteries viability.

  19. Lithium salts for advanced lithium batteries: Li-metal, Li-O2, and Li-S

    DOE PAGES

    Younesi, Reza; Veith, Gabriel M.; Johansson, Patrik; ...

    2015-06-01

    Presently lithium hexafluorophosphate (LiPF6) is the dominant Li-salt used in commercial rechargeable lithium-ion batteries (LIBs) based on a graphite anode and a 3-4 V cathode material. While LiPF6 is not the ideal Li-salt for every important electrolyte property, it has a uniquely suitable combination of properties (temperature range, passivation, conductivity, etc.) rendering it the overall best Li-salt for LIBs. However, this may not necessarily be true for other types of Li-based batteries. Indeed, next generation batteries, for example lithium-metal (Li-metal), lithium-oxygen (Li-O2), and lithium sulphur (Li-S), require a re-evaluation of Li-salts due to the different electrochemical and chemical reactions andmore » conditions within such cells. Furthermore, this review explores the critical role Li-salts play in ensuring in these batteries viability.« less

  20. 6Li from Solar Flares.

    PubMed

    Ramaty; Tatischeff; Thibaud; Kozlovsky; Mandzhavidze

    2000-05-10

    By introducing a hitherto ignored 6Li producing process, due to accelerated 3He reactions with 4He, we show that accelerated particle interactions in solar flares produce much more 6Li than 7Li. By normalizing our calculations to gamma-ray data, we demonstrate that the 6Li produced in solar flares, combined with photospheric 7Li, can account for the recently determined solar wind lithium isotopic ratio, obtained from measurements in lunar soil, provided that the bulk of the flare-produced lithium is evacuated by the solar wind. Further research in this area could provide unique information on a variety of problems, including solar atmospheric transport and mixing, solar convection and the lithium depletion issue, and solar wind and solar particle acceleration.

  1. Recovery of Li from alloys of Al- Li and Li- Al using engineered scavenger compounds

    DOEpatents

    Riley, W. D.; Jong, B. W.; Collins, W. K.; Gerdemann, S. J.

    1994-01-01

    A method of producing lithium of high purity from lithium aluminum alloys using an engineered scavenger compound, comprising: I) preparing an engineered scavenger compound by: a) mixing and heating compounds of TiO2 and Li2CO3 at a temperature sufficient to dry the compounds and convert Li.sub.2 CO.sub.3 to Li.sub.2 O; and b) mixing and heating the compounds at a temperature sufficient to produce a scavenger Li.sub.2 O.3TiO.sub.2 compound; II) loading the scavenger into one of two electrode baskets in a three electrode cell reactor and placing an Al-Li alloy in a second electrode basket of the three electrode cell reactor; III) heating the cell to a temperature sufficient to enable a mixture of KCl-LiCl contained in a crucible in the cell to reach its melting point and become a molten bath; IV) immersing the baskets in the bath until an electrical connection is made between the baskets to charge the scavenger compound with Li until there is an initial current and voltage followed by a fall off ending current and voltage; and V) making a connection between the basket electrode containing engineered scavenger compound and a steel rod electrode disposed between the basket electrodes and applying a current to cause Li to leave the scavenger compound and become electrodeposited on the steel rod electrode.

  2. Electron-impact Ionization Of Li2 And Li+2

    SciTech Connect

    Colgan, James P

    2008-01-01

    Electron-impact ionization cross sections for Li{sub 2} and Li{sup +}{sub 2} are calculated using a configuration-average distorted-wave method. Bound orbitals for the molecule and its ions are calculated using a single configuration self-consistent field method based on a linear combination of Slater-type orbitals. The bound orbitals are transformed onto a two-dimensional lattice ({tau}, {theta}), which is variable in the radial coordinate and constant in the angular coordinate, from which Hartree with local exchange potentials are constructed. The single particle Schrodinger equation is then solved for continuum distorted-waves with S-matrix boundary conditions. Total ionization cross sections for Li{sub 2} at an equilibrium internuclear separation of R = 5.0 and for Li{sup +}{sub 2} at an equilibrium internuclear separation of R = 5.9 are presented.

  3. Li-Vacancy Ordering in LiBC Phase

    NASA Astrophysics Data System (ADS)

    Gungor, Ebru; Ozdas, Engin

    2006-03-01

    The discovery of a phonon mediated superconductivity in MgB2 with a Tc of 40 K has accelarated the scientific interest in similar layered compounds and the electronic band structure calculations showed that the high-Tc superconductivity is possible for the hole-doped layered lithium borocarbide, LixBC [1,2]. However, the superconducting features for Li off-stoichiometric borocarbide compounds have not been observed in any experimental studies, because of the difficulties in the sample preparation. In this work, the effects of synthesis conditions on the structure of LixBC samples with the different Li-stoichiometries and the phase stability were investigated. The structural studies showed that the intercalation process has a staging behaviour as Li intercalated graphite and a novel Li vacancy ordered structure for off-stoichiometric LixBC phases. [1] Rosner H.et al., PRL 88, 12 (2002) [2] Dewhurst et al., PRB 68, 020504(R) (2003)

  4. Outgassing in the LiD/LiOH System

    SciTech Connect

    Schildbach, M; Siekhaus, W; Dinh, L; McLean II, W

    2003-10-17

    Temperature programmed decomposition (TPD), scanning electron microscopy (SEM) and x-ray diffraction (XRD) were performed on lithium hydroxide (LiOH) polycrystallites and LiD/LiOH composite nanocrystals. Our studies revealed that LiOH grains are thermally decomposed into Li{sub 2}O, releasing water, following a three dimensional phase boundary movement from the surface inward. The rate of H{sub 2}O released is controlled by a rate constant that is expressed as: d{alpha}/dt ={upsilon}.e {sup -E/RT}.f({alpha}) where t is time; {alpha} is the reacted fraction (0 to 1); {upsilon} is the pre-exponential factor which includes many constants describing the initial state of the sample such as three dimensional shape factors of initial particles, molecular mass, density, stoichiometric factors of chemical reaction, active surface and number of lattice imperfections, and so forth; E is the activation energy for the rate controlling process, R is the gas molar constant, and f({alpha}) is an analytical function which is determined by the rate-limiting reaction mechanism (random nucleation, diffusion, phase boundary motion, etc.). Due to fewer neighboring bonds at the surface, surface lithium hydroxide decomposes at low activation energies of {approx} 86-92 kJ/mol with corresponding pre-exponential factors of {approx} 2.7 x 10{sup 6}-1.2 x 10{sup 7} s{sup -1}. Near-surface hydroxide, having bonding much like bulk hydroxide but experiencing more stress/strain, decomposes at activation energies of {approx} 89-108 kJ/mol with corresponding pre-exponential factors of {approx} 9.5 x 10{sup 5}-9.3 x 10{sup 7}s{sup -1}. Bulk lithium hydroxide, however, decomposes at higher activation energies of {approx} 115-142 kJ/mol with corresponding pre-exponential factors of {approx} 4.8 x 10{sup 6}-1.2 x 10{sup 9} s{sup -1}. Bulk lithium hydroxide is very stable if stored at room temperature. However, lithium hydroxide molecules at or near the surface of the grains slowly decompose, in a vacuum

  5. Concave binding of cationic Li to quadrannulene.

    PubMed

    Dang, Jing-Shuang; Wang, Wei-Wei; Zhao, Xiang; Nagase, Shigeru

    2017-08-09

    Binding of Li(+) to quadrannulene and its influence on buckybowl functionalization are introduced. The concave-trapped Li(+) acts as a Lewis acid and the rate of Diels-Alder cycloaddition is enhanced 10(8) times. A sandwiched bowl-Li(+)-bowl structure is stabilized via concave-cation-convex interactions, indicating the promoted role of Li(+) in buckybowl assembly.

  6. Li+ ionic conductivities and diffusion mechanisms in Li-based imides and lithium amide.

    PubMed

    Li, Wen; Wu, Guotao; Xiong, Zhitao; Feng, Yuan Ping; Chen, Ping

    2012-02-07

    In this study, both experimental ionic conductivity measurements and the first-principles simulations are employed to investigate the Li(+) ionic diffusion properties in lithium-based imides (Li(2)NH, Li(2)Mg(NH)(2) and Li(2)Ca(NH)(2)) and lithium amide (LiNH(2)). The experimental results show that Li(+) ions present superionic conductivity in Li(2)NH (2.54 × 10(-4) S cm(-1)) and moderate ionic conductivity in Li(2)Ca(NH)(2) (6.40 × 10(-6) S cm(-1)) at room temperature; while conduction of Li(+) ions is hardly detectable in Li(2)Mg(NH)(2) and LiNH(2) at room temperature. The simulation results indicate that Li(+) ion diffusion in Li(2)NH may be mediated by Frenkel pair defects or charged vacancies, and the diffusion pathway is more likely via a series of intermediate jumps between octahedral and tetrahedral sites along the [001] direction. The calculated activation energy and pre-exponential factor for Li(+) ion conduction in Li(2)NH are well comparable with the experimentally determined values, showing the consistency of experimental and theoretical investigations. The calculation of the defect formation energy in LiNH(2) reveals that Li defects are difficult to create to mediate the Li(+) ion diffusion, resulting in the poor Li(+) ion conduction in LiNH(2) at room temperature.

  7. Polymorphism of LiAg

    NASA Astrophysics Data System (ADS)

    Pavlyuk, V. V.; Dmytriv, G. S.; Tarasiuk, I. I.; Chumak, I. V.; Pauly, H.; Ehrenberg, H.

    2010-02-01

    A phase transition from the cubic CsCl-type structure (Pm-3m space group) into a tetragonal UPb-type structure (I4 1/amd) is observed for the LiAg binary compound at ambient conditions. The crystal structure of the tetragonal modification of the LiAg binary compound was solved by direct methods in SHELXS on the base of structure factors which were extracted from a powder diffraction pattern and refined by SHELXL and the Rietveld method ( a = 3.9605(1), c = 8.2825(2) Å, Bragg R-factor = 4.81, Rf-factor = 4.87). Elevated temperatures and/or a small Li-excess versus the equimolar composition favour the cubic structure whereas ambient and lower temperatures and/or a small Li-deficiency stabilize the tetragonal structure. This reconstructive transition is reversible but proceeds slowly.

  8. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI

    SciTech Connect

    McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang D.; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.

    2014-04-17

    Lithium 4,5-dicyano-1,2,3-triazolate (LiDCTA) and lithium 2-trifluoromethyl-4,5-dicyanoimidazole (LiTDI) are two salts proposed for lithium battery electrolyte applications, but little is known about the manner in which the DCTA- and TDI- anions coordinate Li+ cations. To explore this in-depth, crystal structures are reported here for two solvates with LiDCTA: (G2)1:LiDCTA and (G1)1:LiDCTA with diglyme and monoglyme, respectively, and seven solvates with LiTDI: (G1)2:LiTDI, (G2)2:LiTDI, (G3)1:LiTDI, (THF)1:LiTDI, (EC)1:LiTDI, (PC)1:LiTDI and (DMC)1/2:LiTDI with monoglyme, diglyme, triglyme, tetrahydrofuran, ethylene carbonate, propylene carbonate and dimethyl carbonate, respectively. These latter solvate structures are compared with the previously reported acetonitrile (AN)2:LiTDI structure. The solvates indicate that the LiTDI salt is much less associated than the LiDCTA salt and that the ions in LiTDI, when aggregated in solvates, have a very similar TDI-...Li+ cation mode of coordination through both the anion ring and cyano nitrogen atoms. Such coordination facilitates the formation of polymeric ion aggregates, instead of dimers. Insight into such ion speciation is instrumental for understanding the electrolyte properties of aprotic solvent mixtures with these salts.

  9. Electrolytic LiCl precipitation from LiCl-KCl melt in porous Li-Al anodes

    NASA Astrophysics Data System (ADS)

    Vallet, C. E.; Heatherly, D. E.; Heatherly, L., Jr.; Braunstein, J.

    1983-12-01

    Composition gradients such as those predicted to occur during discharge of porous Li-Al negative electrodes of Li/S batteries with LiCl-KCl eutectic electrolyte were generated and measured in the LiCl-KCl anolyte of an electrolysis cell with Li-Al electrodes. Precipitation of lithium chloride during electrolysis was observed by two-dimensional scanning of electrolyte composition in the front part of quenched porous Li-Al anode sections using SEM/EDX. The distribution of sites of increased or decreased LiCl concentration, LiCl saturation and precipitation was mapped. Cathodic regions were observed near the cell walls. Preliminary results of analysis by Auger spectroscopy confirm LiCl precipitation in the porous anode.

  10. Electrolytic LiCl precipitation from LiCl-KCl melt in porous Li-Al anodes

    SciTech Connect

    Vallet, C.E.; Heatherly, D.E.; Heatherly, L. Jr.; Braunstein, J.

    1983-12-01

    Composition gradients such as those predicted to occur during discharge of porous Li-Al negative electrodes of Li/S batteries with LiCl-KCl eutectic electrolyte were generated and measured in the LiCl-KCl anolyte of an electrolysis cell with Li-Al electrodes. Precipitation of lithium chloride during electrolysis was observed by two-dimensional scanning of electrolyte composition in the front part of quenched porous Li-Al anode sections using SEM/EDX. The distribution of sites of increased or decreased LiCl concentration, LiCl saturation and precipitation was mapped. Cathodic regions were observed near the cell walls. Preliminary results of analysis by Auger spectroscopy confirm LiCl precipitation in the porous anode. 16 references, 7 figures, 1 table.

  11. Metallic Li colloids studied by Li-7 MAS NMR in electron-irradiated LiF

    NASA Astrophysics Data System (ADS)

    Zogal, O. J.; Beuneu, F.; Vajda, P.; Florian, P.; Massiot, D.

    Li-7 MAS NMR spectra of 2.5 MeV electron-irradiated LiF crystals have been measured in a field of 9.4 T. Besides the resonance line of the ionic compound, a second well-separated spectrum is observed in the region of the Knight shift value for metallic lithium. At room temperature, the latter can be decomposed into two components with different Knight shift and linewidth values. When the temperature is increased, line narrowing takes place at first, indicating shortening of correlation times for self-diffusion, independently in both components. Above 370 K, both lines broaden and approach each other before collapsing into a single line. The high ppm component disappears after crossing the melting temperature of metallic lithium (454 K). The two lines are attributed to different types of metallic Li: one to bulk-like metal, the other to Li present initially under pressure and relaxing to the former under thermal treatment.

  12. Li-6/Li-7, B-10/B-11, and Li-7/B-11/Si-28 individual IDPs

    NASA Technical Reports Server (NTRS)

    Xu, Y.-L.; Song, L.-G.; Zhang, Y.-X.; Fan, C.-Y.

    1994-01-01

    At the initial stage of the development of our solar system, the solar nebula is presumably composed of H-1, H-2, He-3, He-4, and Li-7, which were made during the Big Band, and C, N, O, . . ., which are products of nearby supernova explosions. Li-6 nuclei (together with about equal amounts of Li-7), Be-9, B-10, and B-11 were produced later by cosmic ray particles bombarding the local interstellar C, N, O, . . . nuclei before the nebula condensed to become the Sun and the planets. Thus, the ratio Li-6/Li-7 is a measure of the length of the early epoch of the solar system. In this paper we shall report the measurement of Li-7/Li-6, B-11/B-10, and Li-7/B-11/Si-28 of four IDP's obtained from Johnson Space Center and discuss the findings.

  13. Transport properties derived from ion-atom collisions: 6Li-6Li+ and 6Li-7Li+ Cases

    NASA Astrophysics Data System (ADS)

    Bouledroua, Moncef; Bouchelaghem, Fouzia; LPR Team

    2014-10-01

    This investigation treats quantum-mechanically the ion- atom collisions and computes the transport coefficients, such as the coefficients of mobility and diffusion. For the case of lithium, the calculations start by determining the gerade and ungerade potential curves through which ionic lithium approaches ground lithium. Then, by considering the isotopic effects and nuclear spins, the elastic and charge-transfer cross sections are calculated for the case of 6Li+and7Li+ colliding with 6Li. Finally, the temperature-dependent diffusion and mobility coefficients are analyzed, and the results are contrasted with those obtained from literature. The main results of this work have been recently published in. This work has been realized within the frames of the CNEPRU Project D01120110036 of the Algerian Ministry of Higher Education.

  14. Li2S Film Formation on Lithium Anode Surface of Li-S batteries.

    PubMed

    Liu, Zhixiao; Bertolini, Samuel; Balbuena, Perla B; Mukherjee, Partha P

    2016-02-01

    The precipitation of lithium sulfide (Li2S) on the Li metal anode surface adversely impacts the performance of lithium-sulfur (Li-S) batteries. In this study, a first-principles approach including density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations is employed to theoretically elucidate the Li2S/Li metal surface interactions and the nucleation and growth of a Li2S film on the anode surface due to long-chain polysulfide decomposition during battery operation. DFT analyses of the energetic properties and electronic structures demonstrate that a single molecule adsorption on Li surface releases energy forming chemical bonds between the S atoms and Li atoms from the anode surface. Reaction pathways of the Li2S film formation on Li metal surfaces are investigated based on DFT calculations. It is found that a distorted Li2S (111) plane forms on a Li(110) surface and a perfect Li2S (111) plane forms on a Li(111) surface. The total energy of the system decreases along the reaction pathway; hence Li2S film formation on the Li anode surface is thermodynamically favorable. The calculated difference charge density of the Li2S film/Li surface suggests that the precipitated film would interact with the Li anode via strong chemical bonds. AIMD simulations reveal the role of the anode surface structure and the origin of the Li2S formation via decomposition of Li2S8 polysulfide species formed at the cathode side and dissolved in the electrolyte medium in which they travel to the anode side during battery cycling.

  15. Effects of Li content on precipitation in Al-Cu-(Li)-Mg-Ag-Zr alloys

    SciTech Connect

    Huang, B.P.; Zheng, Z.Q.

    1998-01-06

    Although much attention has been paid to Al-Cu-Li-Mg-Ag-Zr alloys, there are sparse reports about the influence of Li on precipitation in these alloys. The aim of the present study is to determine the effects of Li on modifying precipitation in a baseline aluminum alloy 2195 and the accompanying variants with 0--1.6 wt.% Li.

  16. Li Anode Technology for Improved Performance

    NASA Technical Reports Server (NTRS)

    Chen, Tuqiang

    2011-01-01

    A novel, low-cost approach to stabilization of Li metal anodes for high-performance rechargeable batteries was developed. Electrolyte additives are selected and used in Li cell electrolyte systems, promoting formation of a protective coating on Li metal anodes for improved cycle and safety performance. Li batteries developed from the new system will show significantly improved battery performance characteristics, including energy/power density, cycle/ calendar life, cost, and safety.

  17. Reactions of metallic Li or LiC6 with organic solvents for lithium ion battery

    NASA Astrophysics Data System (ADS)

    Nakajima, Tsuyoshi; Hirobayashi, Yuki; Takayanagi, Yuki; Ohzawa, Yoshimi

    2013-12-01

    DSC (Differential Scanning Calorimetry) study has been made on the reactions of metallic Li or LiC6 with organic solvents for lithium ion battery. Ethylene carbonate (EC) more easily reacts with metallic Li and LiC6 than propylene carbonate (PC). This may be because formation of lithium alkyl carbonate is more difficult for PC than EC. On the other hand, diethyl carbonate (DEC), ethyl methyl carbonate (EMC) and dimethyl carbonate (DMC) react with Li in the same manner. Reactions of Li and LiC6 with organic solvents have been discussed based on the results of quantum calculation.

  18. Electrochemical Investigations of the Interface at Li/Li+ Ion Conducting Channel

    DTIC Science & Technology

    2006-10-04

    acetone consisting of LiBF4 as the supporting electrolyte. Unlike the powdery deposits of LiPc obtained by using tetrabutyl ammonium perchlorate (TBAP...as the supporting electrolyte, the deposits are adherent to the substrates when LiBF4 is used as the supporting electrolyte. Chemical oxidation of...Li2Pc by TBAP is shown to be detrimental for the formation of powdery electrodeposits of LiPc, whereas LiBF4 does not oxidize Li2Pc and therefore

  19. Li-S batteries: Firing for compactness

    NASA Astrophysics Data System (ADS)

    Li, Yanguang; Chen, Fengjiao

    2017-07-01

    Conventional Li-S batteries have a non-compact cathode structure containing low areal loading of active materials. Now, a strategy of burning Li foils in a CS2 vapour is presented, which leads to the formation of highly compact Li2S nanoparticles as a lithiated sulfur cathode, offering promising battery performance.

  20. The interstellar Li-7/Li-6 isotope ratio toward Zeta Ophiuchi and Zeta Persei

    NASA Technical Reports Server (NTRS)

    Meyer, David M.; Hawkins, Isabel; Wright, Edward L.

    1993-01-01

    High S/N, high-resolution observations of the interstellar Li absorption lines toward the stars Zeta Ophiuchi and Zeta Persei are reported. Li I line profiles indicate the presence of both the Li-7 and Li-6 doublets in these two sightlines. Best-fit values for the interstellar Li-7/Li-6 isotope ratio are 6.8 (+1.4/-1.7) towards Zeta Ophiuchi and 5.5 (+ 1.3/-1.1) toward Zeta Persei. Measurement of 6.8 (+1.4/-1.7) for the interstellar Li-7/Li-6 isotope ratio towards Zeta Ophiuchi does not support the lower limit of 25 determined by Ferlet and Dennefeld (1984). The current value of the interstellar Li-7/Li-6 isotope ratio is the result of various lithium production and destruction processes involving stars, cosmic rays, and the big bang.

  1. The Electrochemistry of Li-LiCl-Li2O Molten Salt Systems and the Role of Moisture

    NASA Astrophysics Data System (ADS)

    Gese, Natalie J.

    Uranium can be recovered from uranium-oxide (UO2) spent fuel through the combination of oxide reduction and electrorefining processes. During oxide reduction, the spent fuel is introduced to molten LiCl-Li 2O salt at 650°C, and the UO2 is reduced to uranium metal via two routes: (1) electrochemically, and (2) chemically by lithium metal (Li°) that is produced electrochemically. However, the hygroscopic nature of both LiCl and Li2O leads to the formation of LiOH, contributing hydroxyl anions (OH-), the reduction of which interferes with the Li° generation required for the chemical reduction of UO 2. In order for the oxide reduction process to be an effective method for the treatment of uranium-oxide fuel, the role of moisture in the LiCl-Li 2O system must be understood. The behavior of moisture in the LiCl-Li 2O molten-salt system was studied using cyclic voltammetry, chronopotentiometry, and chronoamperometry while reduction to hydrogen was confirmed with gas chromatography.

  2. Recovery of Li from alloys of Al-Li and Li-Al using engineered scavenger compounds

    SciTech Connect

    Riley, W.D.; Jong, B.W.; Collins, W.K.; Gerdemann, S.J.

    1992-01-01

    The invention relates to a process for obtaining Li metal selectively recovered from Li-Al or Al-Li alloy scrap by: (1) removing Li from aluminum-lithium alloys at temperatures between about 400 C-750 C in a molten salt bath of KC1-LiCl using lithium titanate (Li2O.3TiO2) as an engineered scavenger compound (ESC); and (2) electrodepositing of Li from the loaded ESC to a stainless steel electrode. By use of the second step, the ESC is prepared for reuse. A molten salt bath is required in the invention because of the inability of molten aluminum alloys to wet the ESC.

  3. /C Composite Cathode for Li Ion Battery

    NASA Astrophysics Data System (ADS)

    Wang, Shulan; Liu, Xuan; Li, Huiqing; Li, Li

    2014-12-01

    Li3V2(PO4)3/C composites were prepared at different temperatures and assembled as cathodes for Li ion batteries. Their structure and electrochemical properties were properly characterized. The internal and charge transfer resistance of the Li3V2(PO4)3/C cathodes were obtained by simulating the ac impedance spectra with equivalent circuits. The Li3V2(PO4)3/C composite sintered at 1123 K (850 °C) exhibits excellent electrochemical performances because of its smaller internal resistance and charge transfer resistance, as well as faster Li ion inserting/extracting rates.

  4. LiDy(PO3)4

    PubMed Central

    Chehimi-Moumen, Fathia; Férid, Mokhtar

    2008-01-01

    Single crystals of lithium dysprosium polyphosphate, LiDy(PO3)4, were prepared by the flux method. The atomic arrangement is built up by infinite (PO3)n chains extending along the b axis. Dy3+ and Li+ cations alternate in the middle of four such chains, with Dy⋯Li distances of 3.54 (1) and 3.48 (1) Å. The DyO8 dodeca­hedra and LiO4 tetra­hedra deviate significantly from the ideal geometry. Both Dy and Li occupy special positions (Wyckoff position 4e, site symmetry 2). PMID:21202729

  5. High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6

    NASA Astrophysics Data System (ADS)

    Temelso, Berhane; Sherrill, C. David

    2005-02-01

    The structures and energetics of Li6+, Li6- and three isomers of Li6 are investigated using the coupled-cluster singles, doubles and perturbative triples [CCSD(T)] method with valence and core-valence correlation consistent basis sets of double- to quadruple-ζ quality (cc-pVXZ and cc-pCVXZ, where X =D-Q). These results are compared with qualitatively different predictions by less reliable methods. Our results conclusively show that the D4h isomer is the global minimum structure for Li6. It is energetically favored over the C5v and D3h structures by about 5.1 and 7.1kcalmol-1, respectively, after the inclusion of the zero-point vibrational energy (ZPVE) correction. Our most accurate total atomization energies are 123.2, 117.6, and 115.7kcalmol-1 for the D4h, C5v, and D3h isomers, respectively. Comparison of experimental optical absorption spectra with our computed electronic spectra also indicate that the D4h isomer is indeed the most stable structure. The cation, anion, and some higher spin states are investigated using the less expensive cc-pCVDZ basis set. Adiabatic ionization energies and electron affinities are reported and compared with experimental values. Predictions of molecular properties are found to be sensitive to the basis set used and to the treatment of electron correlation.

  6. Nanoscale spinel LiFeTiO4 for intercalation pseudocapacitive Li(+) storage.

    PubMed

    Chen, Ruiyong; Knapp, Michael; Yavuz, Murat; Ren, Shuhua; Witte, Ralf; Heinzmann, Ralf; Hahn, Horst; Ehrenberg, Helmut; Indris, Sylvio

    2015-01-14

    Intercalation pseudocapacitive Li(+) storage has been recognized recently in metal oxide materials, wherein Li(+) intercalation into the lattice is not solid-state diffusion-limited. This may bridge the performance gap between electrochemical capacitors and battery materials. To date, only a few materials with desired crystal structure and with well-defined nanoarchitectures have been found to exhibit such attractive behaviour. Herein, we report for the first time that nanoscale spinel LiFeTiO4 as a cathode material for Li-ion batteries exhibits intercalation pseudocapacitive Li(+) storage behaviour. Nanoscale LiFeTiO4 nanoparticles with native carbon coating were synthesized by a sol-gel route. A fast and large-amount of Li(+) storage (up to 1.6 Li(+) per formula unit over cycling) in the nanoscale LiFeTiO4 host has been achieved without compromising kinetics.

  7. Decameric uracil complexes around Li+.

    PubMed

    Zins, Emilie-Laure; Pepe, Claude; Schröder, Detlef

    2010-07-01

    Electrospray ionization (ESI) in combination with mass spectrometry (MS) experiments were carried out to study decameric uracil complexes cationized with Li(+) ion. A previous study has shown that, under specific experimental conditions, a particularly intense peak of the decamer U(10)Li(+) is formed, which was referred to as an indication for so-called 'magic number' cluster. In order to gain more insight on the structure of this decameric complex, here, we report experimental studies concerning the kinetics of the fragmentation. In accordance with the new experimental data, structural models were constructed and fully optimized using ab initio and density functional theory quantum chemistry calculations. The theoretical study allowed us to propose a stable gas-phase structure which is compatible with all experimental findings. 2010 John Wiley & Sons, Ltd.

  8. LiDAR: Providing structure

    USGS Publications Warehouse

    Vierling, Lee A.; Martinuzzi, Sebastián; Asner, Gregory P.; Stoker, Jason M.; Johnson, Brian R.

    2011-01-01

    Since the days of MacArthur, three-dimensional (3-D) structural information on the environment has fundamentally transformed scientific understanding of ecological phenomena (MacArthur and MacArthur 1961). Early data on ecosystem structure were painstakingly laborious to collect. However, as reviewed and reported in recent volumes of Frontiers(eg Vierling et al. 2008; Asner et al.2011), advances in light detection and ranging (LiDAR) remote-sensing technology provide quantitative and repeatable measurements of 3-D ecosystem structure that enable novel ecological insights at scales ranging from the plot, to the landscape, to the globe. Indeed, annual publication of studies using LiDAR to interpret ecological phenomena increased 17-fold during the past decade, with over 180 new studies appearing in 2010 (ISI Web of Science search conducted on 23 Mar 2011: [{lidar AND ecol*} OR {lidar AND fores*} OR {lidar AND plant*}]).

  9. Determining the 7Li(n,γ) cross section via Coulomb dissociation of 8Li

    NASA Astrophysics Data System (ADS)

    Izsák, R.; Horváth, Á.; Kiss, Á.; Seres, Z.; Galonsky, A.; Bertulani, C. A.; Fülöp, Zs.; Baumann, T.; Bazin, D.; Ieki, K.; Bordeanu, C.; Carlin, N.; Csanád, M.; Deák, F.; DeYoung, P.; Frank, N.; Fukuchi, T.; Gade, A.; Galaviz, D.; Hoffman, C. R.; Peters, W. A.; Schelin, H.; Thoennessen, M.; Veres, G. I.

    2013-12-01

    The applicability of Coulomb dissociation reactions to determine the cross section for the inverse neutron capture reaction was explored using the reaction 8Li(γ,n)7Li. A 69.5 MeV/nucleon 8Li beam was incident on a Pb target, and the outgoing neutron and 7Li nucleus were measured in coincidence. The deduced (n,γ) excitation function is consistent with data for the direct capture reaction 7Li(n,γ)8Li and with low-energy effective field theory calculations.

  10. Measurement of Li+ Ion Transport Numbers in PEO-LiX Complexes.

    DTIC Science & Technology

    1988-03-01

    elsewheres. The salts under study were LiCF3SO3, LiAlC 4, LiAsF., LiBF4 and LiPF, and the PEO-LiX concentrations were 50:1, 25:1, 8:1, 4:1, 2:1 and 1...1 PEO- LIBF4 19 .37 8:1 PEO- LIBF4 28 .40 f-. ___ ___ ___ ____ ___ __ _ ___ ____ ___ ___ ___ ____ ___ _NP 0 U 2 U,o P;. a C S S C.) * - , ~.CD 0 0 XI

  11. Diffusion and possible freezing phases of Li-ions in LiFePO4

    NASA Astrophysics Data System (ADS)

    Yiu, Yuen; Toft-Petersen, Rasmus; Ehlers, Georg; Vaknin, David

    Elastic and inelastic neutron scattering studies of LiFePO4 single crystal reveal new Li-ion diffusion properties relevant to its function as Li-battery materials. In the past decade there has been broad interest in LiFePO4 and its related compounds, largely due to the applications of these materials as cathodes in Li- batteries. This is owing to these materials' high charge-discharge ability and conductivity, both of which are by virtue of the Li-ions' high mobility. In this talk, we present our findings on the temperature and directional dependence of Li-ions' diffusion in LiFePO4. LiFePO4 adopts the olivine structure at room temperature (Space group: Pnma), which contains channels along principal crystalline directions that allow Li-ion motion. Elastic neutron scattering reveals lowering of symmetry from the Pnma structure below room temperature, which can be interpreted as the freezing of Li-ions, and can be subsequently linked to the reported decrease in Li-ion conductivity. Inelastic neutron scattering, in the 35K to 720K temperature range, shows temperature dependence, as well as anisotropy (i.e. along 0K0 versus 00L) of Li-ion diffusion. Ames Laboratory is supported by U.S. DOE, BES, DMSE, under Contract #DE-AC02-07CH11358. Spallation Neutron Source of Oak Ridge National Laboratory is sponsored by U.S. DOE, BES, SUFD.

  12. Ultralong Lifespan and Ultrafast Li Storage: Single-Crystal LiFePO4 Nanomeshes.

    PubMed

    Zhang, Yan; Zhang, Hui Juan; Feng, Yang Yang; Fang, Ling; Wang, Yu

    2016-01-27

    A novel LiFePO4 material, in the shape of a nanomesh, has been rationally designed and synthesized based on the low crystal-mismatch strategy. The LiFePO4 nanomesh possesses several advantages in morphology and crystal structure, including a mesoporous structure, its crystal orientation that is along the [010] direction, and a shortened Li-ion diffusion path. These properties are favorable for their application as cathode in Li-ion batteries, as these will accelerate the Li-ion diffusion rate, improve the Li-ion exchange between the LiFePO4 nanomesh and the electrolyte, and reduce the Li-ion capacitive behavior during Li intercalation. So the LiFePO4 nanomesh exhibits a high specific capacity, enhanced rate capability, and strengthened cyclability. The method developed here can also be extended to other similar systems, for instance, LiMnPO4 , LiCoPO4 , and LiNiPO4 , and may find more applications in the designed synthesis of functional materials.

  13. Thermal stability of LiPF 6 salt and Li-ion battery electrolytes containing LiPF 6

    NASA Astrophysics Data System (ADS)

    Yang, Hui; Zhuang, Guorong V.; Ross, Philip N.

    The thermal stability of the neat lithium hexafluorophosphate (LiPF 6) salt and of 1 molal (m) solutions of LiPF 6 in prototypical Li-ion battery solvents was studied with thermogravimetric analysis (TGA) and on-line Fourier transform infrared (FTIR). Pure LiPF 6 salt is thermally stable up to 107 °C in a dry inert atmosphere, and its decomposition path is a simple dissociation producing lithium fluoride (LiF) as solid and PF 5 as gaseous products. In the presence of water (300 ppm) in the carrier gas, its decomposition onset temperature is lowered as a result of direct thermal reaction between LiPF 6 and water vapor to form phosphorous oxyfluoride (POF 3) and hydrofluoric acid (HF). No new products were observed in 1 m solutions of LiPF 6 in ethylene carbonate (EC), dimethyl carbonate (DMC) and ethyl methyl carbonate (EMC) by on-line TGA-FTIR analysis. The storage of the same solutions in sealed containers at 85 °C for 300-420 h did not produce any significant quantity of new products as well. In particular, no alkylflurophosphates were found in the solutions after storage at elevated temperature. In the absence of either an impurity like alcohol or cathode active material that may (or may not) act as a catalyst, there is no evidence of thermally induced reaction between LiPF 6 and the prototypical Li-ion battery solvents EC, PC, DMC or EMC.

  14. Li+ ion dynamics in strontium bismuthate glasses

    NASA Astrophysics Data System (ADS)

    Dutta, A.; Ghosh, A.

    2004-11-01

    Ion transport in Li2O-Bi2O3-SrO glasses has been studied in the frequency range 10 Hz-2 MHz and in the temperature range 263-483 K. The variation of the dc conductivity and the activation energy of these glasses with composition has been compared with those of bismuthate and lead bismuthate glasses. The frequency dependent conductivity has been studied using both modulus and conductivity formalisms. We have observed that the variation of the power law exponent with Li2O content is in contrast to that for the Li2O-Bi2O3 and Li2O-Bi2O3-PbO glasses. The values of the non-exponential parameter for the Li2O-Bi2O3-SrO glasses are lower than those for the binary Li2O-Bi2O3 glasses.

  15. Measurement of Solubility of Metallic Lithium Dissolved in Molten LiCl-Li2O

    NASA Astrophysics Data System (ADS)

    Burak, Adam J.; Simpson, Michael F.

    2016-10-01

    The solubility of lithium metal in molten LiCl-Li2O mixtures has been measured at various concentrations of Li2O ranging from 0 wt.% to 2.7 wt.% at a temperature of approximately 670-680°C. After contacting molten lithium with molten LiCl-Li2O for several hours to achieve equilibrium saturation, samples were taken by freezing the salt onto a room-temperature steel rod and dissolving in water for analysis. Both volume of hydrogen gas generated and volume of titrated HCl were measured to investigate two different approaches to calculating the lithium concentration. There appeared to be no effect of Li2O concentration on the Li solubility in the salt. But the results vary between different methods of deducing the amount of dissolved Li. The H2 collection method is recommended, but care must be taken to ensure all of the H2 has been included.

  16. Li@organic superhalogens: possible electrolytes in Li-ion batteries.

    PubMed

    Naaresh Reddy, G; Parida, Rakesh; Giri, Santanab

    2017-08-31

    Inorganic superhalogens are commonly used as anionic counterparts in Li-ion batteries. In an endeavour to prepare better electrolytes, we have modelled the anionic part with different organic heterocyclic-based superhalogens. First principles calculations on those organic superhalogens reveal that the Li-binding energy is at par with that of the Li-salt of a common electrolyte. Out of five different halogen free organic heterocycles, Li[C3BN2(NO2)4] and Li[C2BNO(NO2)3] are found to be mostly suitable as electrolytes in Li-ion batteries. Molecular dynamics simulation studies on C2BNO(NO2)3(-), C3BN2(NO2)4(-), Li[C2BNO(NO2)3] and Li[C3BN2(NO2)4] also reveal that the structures are dynamically stable.

  17. On the Photoelectron Spectra of Li4

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Arnold, James O. (Technical Monitor)

    1996-01-01

    The most stable structure for Li4(-) is found to be the rhombus. Electron detachment from this structure does not seem able to fully explain the photoelectron spectra. The computed results are consistent with those Rao, Jena, and Ray who have proposed that the experimental spectra consists of a superposition of detachment from the Li4(-) rhombus and tetrahedron, forming the singlet and triplet states of Li4, respectively.

  18. Interaction of 11Li with 208Pb

    NASA Astrophysics Data System (ADS)

    Vinodkumar, A. M.; Loveland, W.; Yanez, R.; Leonard, M.; Yao, L.; Bricault, P.; Dombsky, M.; Kunz, P.; Lassen, J.; Morton, A. C.; Ottewell, D.; Preddy, D.; Trinczek, M.

    2013-04-01

    Background: 11Li is one of the most studied halo nuclei. The fusion of 11Li with 208Pb is the subject of a number of theoretical studies with widely differing predictions, ranging over four orders of magnitude, for the fusion excitation function.Purpose: The purpose was to measure the excitation function for the 11Li + 208Pb reaction.Methods: A stacked foil and degrader assembly of 208Pb targets was irradiated with a 11Li beam producing center-of-target beam energies from above-barrier to near-barrier energies (40-29 MeV). The intensity of the 11Li beam (chopped) was 1250 particles/s and the beam on-target time was 34 h. The α decay of the stopped evaporation residues (EVRs) was detected in an α-detector array at each beam energy in the beam-off period (the beam was on for ≤5 ns and then off for 170 ns).Results: The observed nuclidic yields of 212/215At and 214At are consistent with being produced in the complete fusion of 11Li with 208Pb. The observed yields of 213At appear to be the result of the breakup of 11Li into 9Li+2n, with the 9Li fusing with 208Pb. The magnitudes of the total fusion cross sections are substantially less than most theoretical predictions.Conclusions: It is possible to measure the EVR production cross sections resulting from the interaction of 11Li with 208Pb using current-generation radioactive beam facilities. Both complete fusion and breakup fusion processes occur in the interaction of 11Li with 208Pb. An important breakup process leads to the fusion of the 9Li fragment with 208Pb.

  19. Li-rich anti-perovskite Li3OCl films with enhanced ionic conductivity

    SciTech Connect

    Lu, XJ; Wu, G; Howard, JW; Chen, AP; Zhao, YS; Daemen, LL; Jia, QX

    2014-08-13

    Anti-perovskite solid electrolyte films were prepared by pulsed laser deposition, and their room-temperature ionic conductivity can be improved by more than an order of magnitude in comparison with its bulk counterpart. The cyclability of Li3OCl films in contact with lithium was evaluated using a Li/Li3OCl/Li symmetric cell, showing self-stabilization during cycling test.

  20. Photoemission study of Li@C60

    NASA Astrophysics Data System (ADS)

    Yagi, Hajime; Ogasawara, Naoko; Zenki, Masashi; Miyazaki, Takafumi; Hino, Shojun

    2016-05-01

    Ultraviolet and X-ray photoelectron spectra (UPS and XPS) of thin films prepared by either depositing or applying [Li@C60]+(PF6)- on the substrates are presented. The UPS and XPS of [Li@C60]+(PF6)- applied films suggest that PF6- anions come out from the surface by annealing at 250 °C. The UPS and XPS of the deposited thin films indicate that the film does not contain PF6- anion but is composed of only Li@C60. Changing the sublimation temperature reveals that encapsulated Li cations begin to escape from the C60 cage when heated above 550 °C.

  1. Nanoscale LiFePO4 and Li4Ti5O12 for High Rate Li-ion Batteries

    SciTech Connect

    Jaiswal, A.; Horne, C.R.; Chang, O.; Zhang, W.; Kong, W.; Wang, E.; Chern, T.; Doeff, M. M.

    2009-08-04

    The electrochemical performances of nanoscale LiFePO4 and Li4Ti5O12 materials are described in this communication. The nanomaterials were synthesized by pyrolysis of an aerosol precursor. Both compositions required moderate heat-treatment to become electrochemically active. LiFePO4 nanoparticles were coated with a uniform, 2-4 nm thick carbon-coating using an organic precursor in the heat treatment step and showed high tap density of 1.24 g/cm3, in spite of 50-100 nm particle size and 2.9 wtpercent carbon content. Li4Ti5O12 nanoparticles were between 50-200 nm in size and showed tap density of 0.8 g/cm3. The nanomaterials were tested both in half cell configurations against Li-metal and also in LiFePO4/Li4Ti5O12 full cells. Nano-LiFePO4 showed high discharge rate capability with values of 150 and 138 mAh/g at C/25 and 5C, respectively, after constant C/25 charges. Nano-Li4Ti5O12 also showed high charge capability with values of 148 and 138 mAh/g at C/25 and 5C, respectively, after constant C/25 discharges; the discharge (lithiation) capability was comparatively slower. LiFePO4/Li4Ti5O12 full cells deliver charge/discharge capacity values of 150 and 122 mAh/g at C/5 and 5C, respectively.

  2. Lithiation of Li2SnO3 and Li2SnS3 in context of Li-ion battery materials

    NASA Astrophysics Data System (ADS)

    Howard, Jason; Holzwarth, N. A. W.

    The closed pack layered crystal material (space group 15 (C 2 / c)) Li2 SnO3 has been studied as a possible anode material since the late 1990's. The material undergoes an irreversible decomposition to Li2 O and LiX Sn alloys during the first lithiation cycle. The crystal material Li2 SnS3 of the same structure was recently proposed as an electrolyte material. The question is posed whether Li2 SnS3 would be a good electrolyte or whether it could function as an anode material similar to Li2 SnO3 . In this research a model is proposed for the lithiation process of Li2 SnO3 and Li2 SnS3 ; Li - Li2 SnS3 interfaces are also examined. The results show Li2 SnO3 begins to decompose at approximately Li2 + 0 . 5 SnO3 . In Li2 SnS3 the lithiation process shows it can lithiate to Li2 + 1 SnS3 without significant lattice distortion, volume expansion, or decomposition. Li - Li2 SnS3 interfaces are shown to be unstable, showing the formation of Li2 S . Supported by NSF Grant DMR-1105485 and DMR-1507942.

  3. Modification of LiCl-LiBr-KBr electrolyte for LiAl/FeS{sub 2} batteries

    SciTech Connect

    Kaun, T.D.; Jansen, A.N.; Henriksen, G.L.; Vissers, D.R.

    1996-06-01

    The bipolar LiAl/FeS{sub 2} battery is being developed to achieve the high performance and long cycle life needed for electric vehicle application. The molten-salt (400 to 440 C operation) electrolyte composition for this battery has evolved to support these objectives. An earlier change to LiCl-LiBr-KBr electrolyte is responsible for significantly increased cycle life (up to 1,000 cycles). Recent electrolyte modification has significantly improved cell performance; approximately 50% increased power, with increased high rate capacity utilization. Results are based on power-demanding EV driving profile test at 600 W/kg. The effects of adding small amounts (1--5 mol%) of LiF and LiI to LiCl-LiBr-KBr electrolyte are discussed. By cyclic voltammetry, the modified electrolytes exhibit improved FeS{sub 2} electrochemistry. Electrolyte conductivity is little changed, but high current density (200 mA/cm{sup 2}) performance improved by approximately 50%. A specific feature of the LiI addition is an enhanced cell overcharge tolerance rate from 2.5 to 5 mA/cm{sup 2}. The rate of overcharge tolerance is related to electrolyte properties and negative electrode lithium activity. As a result, the charge balancing of a bipolar battery configuration with molten-salt electrolyte is improved to accept greater cell-to-cell deviations.

  4. Response to Comment on "Cycling Li-O₂ batteries via LiOH formation and decomposition".

    PubMed

    Liu, Tao; Kim, Gunwoo; Carretero-González, Javier; Castillo-Martínez, Elizabeth; Grey, Clare P

    2016-05-06

    We described a lithium-oxygen (Li-O2) battery comprising a graphene electrode, a dimethoxyethane-based electrolyte, and H2O and lithium iodide (LiI) additives, lithium hydroxide (LiOH) being the predominant discharge product. We demonstrate, in contrast to the work of Shen et al., that the chemical reactivity between LiOH and the triiodide ion (I3 (-)) to form IO3 (-) indicates that LiOH can be removed on charging; the electrodes do not clog, even after multiple cycles, confirming that solid products are reversibly removed.

  5. Li ion diffusion in LiAlO2 investigated by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Hu, Qiwei; Lei, Li; Jiang, Xiaodong; Feng, Zhe Chuan; Tang, Mingjun; He, Duanwei

    2014-11-01

    The temperature dependence of Li ions behavior of γ-LiAlO2 has been studied from 78 to 873 K. On heating, the Li ions underwent positional disordering along the structural channels, with the Li ions related modes at 220, 366 and 400 cm-1 broadening and weakening dramatically. An anomalous maximum in the bandwidths of the Li ions related modes is observed. It should be apparent that there are at least two distinct thermally activated processes. A model suggested by Andrade and Porto is used to describe the linewidth of a phonon.

  6. The Impact of Li Grain Size on Coulombic Efficiency in Li Batteries

    PubMed Central

    Mehdi, B. Layla; Stevens, Andrew; Qian, Jiangfeng; Park, Chiwoo; Xu, Wu; Henderson, Wesley A.; Zhang, Ji-Guang; Mueller, Karl T.; Browning, Nigel D.

    2016-01-01

    One of the most promising means to increase the energy density of state-of-the-art lithium Li-ion batteries is to replace the graphite anode with a Li metal anode. While the direct use of Li metal may be highly advantageous, at present its practical application is limited by issues related to dendrite growth and low Coulombic efficiency, CE. Here operando electrochemical scanning transmission electron microscopy (STEM) is used to directly image the deposition/stripping of Li at the anode-electrolyte interface in a Li-based battery. A non-aqueous electrolyte containing small amounts of H2O as an additive results in remarkably different deposition/stripping properties as compared to the “dry” electrolyte when operated under identical electrochemical conditions. The electrolyte with the additive deposits more Li during the first cycle, with the grain sizes of the Li deposits being significantly larger and more variable. The stripping of the Li upon discharge is also more complete, i.e., there is a higher cycling CE. This suggests that larger grain sizes are indicative of better performance by leading to more uniform Li deposition and an overall decrease in the formation of Li dendrites and side reactions with electrolyte components, thus potentially paving the way for the direct use of Li metal in battery technologies. PMID:27703188

  7. The Impact of Li Grain Size on Coulombic Efficiency in Li Batteries

    NASA Astrophysics Data System (ADS)

    Mehdi, B. Layla; Stevens, Andrew; Qian, Jiangfeng; Park, Chiwoo; Xu, Wu; Henderson, Wesley A.; Zhang, Ji-Guang; Mueller, Karl T.; Browning, Nigel D.

    2016-10-01

    One of the most promising means to increase the energy density of state-of-the-art lithium Li-ion batteries is to replace the graphite anode with a Li metal anode. While the direct use of Li metal may be highly advantageous, at present its practical application is limited by issues related to dendrite growth and low Coulombic efficiency, CE. Here operando electrochemical scanning transmission electron microscopy (STEM) is used to directly image the deposition/stripping of Li at the anode-electrolyte interface in a Li-based battery. A non-aqueous electrolyte containing small amounts of H2O as an additive results in remarkably different deposition/stripping properties as compared to the “dry” electrolyte when operated under identical electrochemical conditions. The electrolyte with the additive deposits more Li during the first cycle, with the grain sizes of the Li deposits being significantly larger and more variable. The stripping of the Li upon discharge is also more complete, i.e., there is a higher cycling CE. This suggests that larger grain sizes are indicative of better performance by leading to more uniform Li deposition and an overall decrease in the formation of Li dendrites and side reactions with electrolyte components, thus potentially paving the way for the direct use of Li metal in battery technologies.

  8. The Impact of Li Grain Size on Coulombic Efficiency in Li Batteries

    SciTech Connect

    Mehdi, B. Layla; Stevens, Andrew; Qian, Jiangfeng; Park, Chiwoo; Xu, Wu; Henderson, Wesley A.; Zhang, Ji-Guang; Mueller, Karl T.; Browning, Nigel D.

    2016-10-05

    One of the most promising means to increase the energy density of state-of-the-art lithium (Li)-ion batteries is to replace the graphite anode with a Li metal anode1, 2, 3. While the direct use of Li metal may be highly advantageous4,5, at present its practical application is limited by issues related to dendrite growth and low Coulombic efficiency (CE)6. Here operando electrochemical scanning transmission electron microscopy (STEM) is used to directly image the deposition/stripping of Li at the anode-electrolyte interface in a Li-based battery. A non-aqueous electrolyte containing small amounts of H2O as an additive results in remarkably different deposition/stripping properties as compared to the "dry" electrolyte when operated under identical electrochemical conditions. The electrolyte with the additive deposits more Li during the first cycle, with the grain sizes of the Li deposits being significantly larger and more variable. The stripping of the Li upon discharge is also more complete, i.e., there is a higher cycling CE. This suggests that larger grain sizes are indicative of better performance by leading to more uniform Li deposition and an overall decrease in the formation of Li dendrites and side reactions with electrolyte components, thus potentially paving the way for the direct use of Li metal in battery technologies.

  9. Electrochemistry of LiCl-Li2O-H2O Molten Salt Systems

    SciTech Connect

    Natalie J. Gese; Batric Pesic

    2013-03-01

    Uranium can be recovered from uranium oxide (UO2) spent fuel through the combination of the oxide reduction and electrorefining processes. During oxide reduction, the spent fuel is introduced to molten LiCl-Li2O salt at 650 degrees C and the UO2 is reduced to uranium metal via two routes: (1) electrochemically, and (2) chemically by lithium metal (Li0) that is produced electrochemically. However, the hygroscopic nature of both LiCl and Li2O leads to the formation of LiOH, contributing hydroxyl anions (OH-), the reduction of which interferes with the Li0 generation required for the chemical reduction of UO2. In order for the oxide reduction process to be an effective method for the treatment of uranium oxide fuel, the role of moisture in the LiCl-Li2O system must be understood. The behavior of moisture in the LiCl-Li2O molten salt system was studied using cyclic voltammetry, chronopotentiometry and chronoamperometry, while reduction to hydrogen was confirmed with gas chromatography.

  10. The Impact of Li Grain Size on Coulombic Efficiency in Li Batteries.

    PubMed

    Mehdi, B Layla; Stevens, Andrew; Qian, Jiangfeng; Park, Chiwoo; Xu, Wu; Henderson, Wesley A; Zhang, Ji-Guang; Mueller, Karl T; Browning, Nigel D

    2016-10-05

    One of the most promising means to increase the energy density of state-of-the-art lithium Li-ion batteries is to replace the graphite anode with a Li metal anode. While the direct use of Li metal may be highly advantageous, at present its practical application is limited by issues related to dendrite growth and low Coulombic efficiency, CE. Here operando electrochemical scanning transmission electron microscopy (STEM) is used to directly image the deposition/stripping of Li at the anode-electrolyte interface in a Li-based battery. A non-aqueous electrolyte containing small amounts of H2O as an additive results in remarkably different deposition/stripping properties as compared to the "dry" electrolyte when operated under identical electrochemical conditions. The electrolyte with the additive deposits more Li during the first cycle, with the grain sizes of the Li deposits being significantly larger and more variable. The stripping of the Li upon discharge is also more complete, i.e., there is a higher cycling CE. This suggests that larger grain sizes are indicative of better performance by leading to more uniform Li deposition and an overall decrease in the formation of Li dendrites and side reactions with electrolyte components, thus potentially paving the way for the direct use of Li metal in battery technologies.

  11. Response to Comment on "Cycling Li-O₂ batteries via LiOH formation and decomposition".

    PubMed

    Liu, Tao; Kim, Gunwoo; Carretero-González, Javier; Castillo-Martínez, Elizabeth; Bayley, Paul M; Liu, Zigeng; Grey, Clare P

    2016-05-06

    Lithium-oxygen (Li-O2) batteries cycle reversibly with lithium iodide (LiI) additives in dimethoxyethane (DME) to form lithium hydroxide (LiOH). Viswanathan et al. argue that because the standard redox potential of the four-electron (e(-)) reaction, 4OH(-) ↔ 2H2O + O2 + 4e(-), is at 3.34 V versus Li(+)/Li, LiOH cannot be removed by the triiodide ion (I3(-)). However, under nonaqueous conditions, this reaction will occur at a different potential. LiOH also reacts chemically with I3(-) to form IO3(-), further studies being required to determine the relative rates of the two reactions on electrochemical charge.

  12. Direct observation of Li diffusion in Li-doped ZnO nanowires

    NASA Astrophysics Data System (ADS)

    Li, Guohua; Yu, Lei; Hudak, Bethany M.; Chang, Yao-Jen; Baek, Hyeonjun; Sundararajan, Abhishek; Strachan, Douglas R.; Yi, Gyu-Chul; Guiton, Beth S.

    2016-05-01

    The direct observation of Li diffusion in Li-doped zinc oxide nanowires (NWs) was realized by using in situ heating in the scanning transmission electron microscope (STEM). A continuous increase of low atomic mass regions within a single NW was observed between 200 °C and 600 °C when heated in vacuum, which was explained by the conversion of interstitial to substitutional Li in the ZnO NW host lattice. A kick-out mechanism is introduced to explain the migration and conversion of the interstitial Li (Lii) to Zn-site substitutional Li (LiZn), and this mechanism is verified with low-temperature (11 K) photoluminescence measurements on as-grown and annealed Li-doped zinc oxide NWs, as well as the observation of an increase of NW surface roughing with applied bias.

  13. Matrix isolation spectroscopy of metal atoms generated by laser ablation. I - The Li/Ar, Li/Kr, and Li/Xe systems

    NASA Astrophysics Data System (ADS)

    Fajardo, Mario E.; Carrick, P. G.; Kenney, John W., III

    1991-05-01

    Results of experiments on Li-doped rare-gas solids (Ar, Kr, and Xe) prepared by laser ablation of solid Li are presented, including NUV-visible absorption spectra and photobleaching and annealing studies of the matrices, as well as visible emission spectra of the laser-ablated Li plume. The UV-visible absorption spectra of Li/Ar and Li/Kr matrices generated by condensing the range gas and laser-ablated Li atoms at 12 K are dominated by a 'blue-shifted triplet' absorption not observed in previously published studies. Control experiments on Li/Ar and Li/Kr matrices generated using a Knudsen oven as the Li atom source showed exclusively an 'unshifted triplet' absorption, in agreement with previous studies. The new absorption features are attributed to Li atoms trapped in novel sites in the Ar and Kr solids.

  14. Mixed salts of LiTFSI and LiBOB for stable LiFePO4-based batteries at elevated temperatures

    SciTech Connect

    Chen, Xilin; Xu, Wu; Engelhard, Mark H.; Zheng, Jianming; Zhang, Yaohui; Ding, Fei; Qian, Jiangfeng; Zhang, Ji-Guang

    2014-01-01

    To achieve stable long-term cycling stability at elevated temperatures, mixed salts of LiTFSI and LiBOB are used to replace LiPF6 salt in non-aqueous electrolytes for LiFePO4-based batteries. It is found that adding LiBOB in LiTFSI-based electrolytes effectively prevents the severe corrosion to Al current collectors that often is observed in LiTFSI-based electrolytes, which have high thermal stability. The cells using LiTFSI-LiBOB-based electrolytes demonstrate superior high temperature (60 °C) stability and very similar room temperature performance (i.e., cycling stability and rate capability) when compared to cells using the LiPF6-based electrolyte.

  15. Investigation of the role of 10Li resonances in the halo structure of 11Li through the 11Li (p , d)10Li transfer reaction

    NASA Astrophysics Data System (ADS)

    Sanetullaev, A.; Kanungo, R.; Tanaka, J.; Alcorta, M.; Andreoiu, C.; Bender, P.; Chen, A. A.; Christian, G.; Davids, B.; Fallis, J.; Fortin, J. P.; Galinski, N.; Gallant, A. T.; Garrett, P. E.; Hackman, G.; Hadinia, B.; Ishimoto, S.; Keefe, M.; Krücken, R.; Lighthall, J.; McNeice, E.; Miller, D.; Purcell, J.; Randhawa, J. S.; Roger, T.; Rojas, A.; Savajols, H.; Shotter, A.; Tanihata, I.; Thompson, I. J.; Unsworth, C.; Voss, P.; Wang, Z.

    2016-04-01

    The first measurement of the one-neutron transfer reaction 11Li(p,d)10Li performed using the IRIS facility at TRIUMF with a 5.7 A MeV11Li beam interacting with a solid H2 target is reported. The 10Li residue was populated strongly as a resonance peak with energy Er = 0.62 ± 0.04 MeV having a total width Γ = 0.33 ± 0.07 MeV. The angular distribution of this resonance is characterized by neutron occupying the 1p1/2 orbital. A DWBA analysis yields a spectroscopic factor of 0.67 ± 0.12 for p1/2 removal strength from the ground state of 11Li to the region of the peak.

  16. Investigation of the role of 10Li resonances in the halo structure of 11Li through the 11Li(p,d)10Li transfer reaction

    DOE PAGES

    Sanetullaev, A.; Kanungo, R.; Tanaka, J.; ...

    2016-03-02

    Here, the first measurement of the one-neutron transfer reaction 11Li(p,d)10Li performed using the IRIS facility at TRIUMF with a 5.7A MeV11Li beam interacting with a solid H2 target is reported. The 10Li residue was populated strongly as a resonance peak with energy Er = 0.62 ± 0.04 MeV having a total width Γ = 0.33 ± 0.07 MeV. The angular distribution of this resonance is characterized by neutron occupying the 1p1/2 orbital. A DWBA analysis yields a spectroscopic factor of 0.67 ± 0.12 for p1/2 removal strength from the ground state of 11Li to the region of the peak.

  17. Utility of Li and Li Isotopes as Tracers of Continental Weathering

    NASA Astrophysics Data System (ADS)

    James, R. H.; Wimpenny, J. B.; Pogge von Strandmann, P.; Kisakurek, B.; Hathorne, E. C.; Anand, P.; Burton, K. W.

    2008-12-01

    Lithium is potentially an attractive tracer of continental weathering because its two isotopes have a large relative mass difference, it is unaffected by biological activity and it is only slightly incompatible during magmatic processes so tends to be relatively uniformly distributed in the Earth's crust. Moreover, Li is conservative in the oceans, with a residence time of ca. 1 million years, and it is isotopically uniform on a global scale (δ7Li ~+31‰). Seminal work by Lui Chan and her co-workers has shown that the Li and Li isotope balance of the oceans is maintained by inputs of high-temperature hydrothermal fluids at oceanic ridges (with δ7Li ~+6.7‰) and dissolved Li from rivers (average δ7Li = +23‰), and low-temperature removal of Li into oceanic basalts and marine sediments. Despite this potential, relatively little is known about the behaviour of Li during continental weathering. In this study, we will present an overview of the work that we have conducted on Li and Li isotopes in rivers, soils and estuaries from catchments in Greenland, Iceland and the Himalaya, as well as laboratory studies of mineral dissolution and precipitation. Each of these case studies illustrates the effects of weathering processes on the riverine isotope signal, and the estuarine data illustrate how this signal is transferred to the oceans. Our data suggest that variations in rock type have little effect on riverine δ7Li; the principal control is preferential removal of 6Li into secondary minerals formed during weathering, leaving the residual waters enriched in 7Li. In subglacial environments, where weathering rates are very low, uptake of Li by ferric oxyhydroxides formed during sulphide oxidation is important. Our results clearly demonstrate that weathering processes can exert a significant effect on the Li isotope composition of natural waters. In order to understand whether changes in such processes with time are preserved, we have also generated records of the past

  18. Chen Li: China's elder psychologist.

    PubMed

    Blowers, G H

    1998-01-01

    Chen Li is one of a small group of psychologists in China who trained abroad early in their careers, returned to teach and do research, and continued doing so into later life beyond normal retirement age. His contacts with a number of prominent psychologists in England and Germany in the 1930s, and his inadvertent position at the center of a political row in China in the 1960s, leading to the shutting down of psychology for 10 years, made him historically important. Known for his work in organizational psychology and education, he is a distinguished psychologist and educational leader. Although trained as an experimentalist, he now embraces a broader view of psychology but remains emphatic it should be applied to real-life problems.

  19. Attainable gravimetric and volumetric energy density of Li-S and li ion battery cells with solid separator-protected Li metal anodes.

    PubMed

    McCloskey, Bryan D

    2015-11-19

    As a result of sulfur's high electrochemical capacity (1675 mA h/gs), lithium-sulfur batteries have received significant attention as a potential high-specific-energy alternative to current state-of-the-art rechargeable Li ion batteries. For Li-S batteries to compete with commercially available Li ion batteries, high-capacity anodes, such as those that use Li metal, will need to be enabled to fully exploit sulfur's high capacity. The development of Li metal anodes has focused on eliminating Coulombically inefficient and dendritic Li cycling, and to this end, an interesting direction of research is to protect Li metal by employing mechanically stiff solid-state Li(+) conductors, such as garnet phase Li7La3Zr2O12 (LLZO), NASICON-type Li1+xAlxTi2-x(PO4)3 (LATP), and Li2S-P2S5 glasses (LPS), as electrode separators. Basic calculations are used to quantify useful targets for solid Li metal protective separator thickness and cost to enable Li metal batteries in general and Li-S batteries specifically. Furthermore, maximum electrolyte-to-sulfur ratios that allow Li-S batteries to compete with Li ion batteries are calculated. The results presented here suggest that controlling the complex polysulfide speciation chemistry in Li-S cells with realistic, minimal electrolyte loading presents a meaningful opportunity to develop Li-S batteries that are competitive on a specific energy basis with current state-of-the-art Li ion batteries.

  20. Nanomaterials Meet Li-ion Batteries.

    PubMed

    Kwon, Nam Hee; Brog, Jean-Pierre; Maharajan, Sivarajakumar; Crochet, Aurélien; Fromm, Katharina M

    2015-01-01

    Li-ion batteries are used in many applications in everyday life: cell phones, laser pointers, laptops, cordless drillers or saws, bikes and even cars. Yet, there is room for improvement in order to make the batteries smaller and last longer. The Fromm group contributes to this research focusing mainly on nanoscale lithium ion cathode materials. This contribution gives an overview over our current activities in the field of batteries. After an introduction on the nano-materials of LiCoO(2) and LiMnPO(4), the studies of our cathode composition and preparation will be presented.

  1. Effect of a pyrrolidinium zwitterion on charge/discharge cycle properties of Li/LiCoO2 and graphite/Li cells containing an ionic liquid electrolyte

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Seitaro; Yoshizawa-Fujita, Masahiro; Takeoka, Yuko; Rikukawa, Masahiro

    2016-11-01

    Ionic liquids (ILs) containing zwitterions have been studied as electrolytes for lithium-ion batteries (LIBs). The effects of addition of a pyrrolidinium zwitterion in an IL electrolyte on the thermal and electrochemical stability and charge/discharge properties of Li/LiCoO2 and graphite/Li cells were investigated. The thermal decomposition temperature of the IL electrolyte composed of N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)amide ([P13][FSA])/lithium bis(trifluoromethylsulfonyl)amide (LiTFSA) with 3-(1-butylpyrrolidinium)propane-1-sulfonate (Bpyps) as the zwitterionic additive, the thermal decomposition temperature was about 300 °C. The electrochemical window of [P13][FSA]/LiTFSA/Bpyps was 0-+5.4 V vs. Li/Li+, which was almost identical to that of [P13][FSA]/LiTFSA. Li|electrolyte|LiCoO2 cells containing the IL/Bpyps electrolyte system exhibited high capacities in the cut-off voltage range of 3.0-4.6 V, even after 50 cycles. The increase in the interfacial resistance between the electrolyte and cathode with cycling was suppressed. In the cyclic voltammograms of cells employing a graphite electrode, the intercalation/deintercalation of lithium ions were observed in the range of 0 and + 0.4 V vs. Li/Li+. Further, graphite|electrolyte|Li cells containing [P13][FSA]/LiTFSA/Bpyps exhibited stable charge/discharge cycle behaviour over 50 cycles.

  2. First-principles study of Li ion diffusion in LiFePO4

    NASA Astrophysics Data System (ADS)

    Ouyang, Chuying; Shi, Siqi; Wang, Zhaoxiang; Huang, Xuejie; Chen, Liquan

    2004-03-01

    The diffusion mechanism of Li ions in the olivine LiFePO4 is investigated from first-principles calculations. The energy barriers for possible spatial hopping pathways are calculated with the adiabatic trajectory method. The calculations show that the energy barriers running along the c axis are about 0.6, 1.2, and 1.5 eV for LiFePO4, FePO4, and Li0.5FePO4, respectively. However, the other migration pathways have much higher energy barriers resulting in very low probability of Li-ion migration. This means that the diffusion in LiFePO4 is one dimensional. The one-dimensional diffusion behavior has also been shown with full ab initio molecular dynamics simulation, through which the diffusion behavior is directly observed.

  3. Li ion diffusion mechanisms in LiFePO4: an ab initio molecular dynamics study.

    PubMed

    Yang, Jianjun; Tse, John S

    2011-11-17

    The mechanisms for thermal (self) diffusion of Li ions in fully lithiated LiFePO(4) have been investigated with spin polarized ab initio molecular dynamics calculations. The effect of electron correlation is taken into account with the GGA+U formalism. It was found that Li ion diffusion is not a continuous process but through a series of jumps from one site to another. A dominant process is the hopping between neighboring Li sites around the PO(4) groups, which results in a zigzag pathway along the crystallographic b-axis. This observation is in agreement with a recent neutron diffraction experiment. A second process involves the collaborative movements of the Fe ions leading to the formation of antisite defects and promotes Li diffusion across the Li ion channels. The finding of the second mechanism demonstrates the benefit of ab initio molecular dynamics simulation in sampling diffusion pathways that may not be anticipated.

  4. First-principle studies on the Li-Te system

    NASA Astrophysics Data System (ADS)

    Wang, Youchun; Tian, Fubo; Li, Da; Duan, Defang; Liu, Yunxian; Liu, Bingbing; Zhou, Qiang; Cui, Tian

    2017-01-01

    First-principle evolutionary calculation was performed to search for all probable stable lithium tellurium compounds. In addition to the well-known structures of Fm-3m Li2Te and Pnma Li2Te, several novel structures, including those of P4/nmm Li2Te, Imma Li8Te2, and C2/m Li9Te2, were determined under high pressure. The transformation sequence of Li2Te induced by pressure was presented as follows. The phase transition occurred at 7.5 GPa while transforming from Fm-3m phase to Pnma structure, then transformed to P4/nmm phase at 14 GPa. P4/nmm Li2Te can remain stable at least up to 140 GPa. Li8Te2 and Li9Te2 were stable at 8-120 GPa and 80-120 GPa, respectively. Interestingly, Li8Te2 and Li9Te2 were predicted to be metallic under high pressure, Li2Te would metalize on compression. P4/nmm Li2Te is likely a super ionic conductor due to the special characteristic. Metallic P4/nmm Li2Te may be a candidate mixed conductor material under extreme pressure. Charge transfer was studied using Bader charge analysis. Charge transferred from Li to Te, and the relative debilitated ionicity between Li and Te atoms existed at high pressure.

  5. Layered Li-Mn-M-oxides as cathodes for Li-ion batteries:. Recent trends

    NASA Astrophysics Data System (ADS)

    Shaju, K. M.; Subba Rao, G. V.; Chowdari, B. V. R.

    2002-12-01

    There is an increasing demand for manganese (Mn) based mixed oxides which can effectively replace the presently used LiCoO2 as cathode in Li-ion batteries (LIB). The well-studied spinel, LiMn2O4 and its doped derivatives give a capacity of 100-120 mAh/g, but show capacity-fading on cycling especially above 55°C. The layered LiMnO2, isostructural to LiCoO2 (so called O3-structure) can be a viable cathode. However, studies have shown that it undergoes conversion to spinel structure on cycling and thus gives capacity-fading. Other alternative systems recently studied are: O2-structured layered Li-M-Mn-oxides with the general formula Li(2/3)+x(MyMn1-y)O2, M = Li, Ni, Co; x ≤ 0.33 and y = 0.1-0.67, O3-Li(Ni1/2Mn1/2)O2, Li(NixCo1-2xMnx)O2, and M'-substituted Li2MnO3 (M' = Ni, Co, Cr). Some of them are shown to have stable cycling performance, good rate-capability and structural stability over charge-discharge cycling in the 2.5-4.6 V region. Further, the electrochemical processes in the above mixed oxides have been shown to involve Ni2+/4+ or Cr3+/6+ redox couple, thus invoking novel ideas to develop new cathode materials. A brief review of the work done on the above O2- and O3-layered Li-Mn-M-oxides (M = metal) as cathodes for LIB is presented.

  6. Line shift, line asymmetry, and the ^6Li/^7Li isotopic ratio determination

    NASA Astrophysics Data System (ADS)

    Cayrel, R.; Steffen, M.; Chand, H.; Bonifacio, P.; Spite, M.; Spite, F.; Petitjean, P.; Ludwig, H.-G.; Caffau, E.

    2007-10-01

    Context: Line asymmetries are generated by convective Doppler shifts in stellar atmospheres, especially in metal-poor stars, where convective motions penetrate to higher atmospheric levels. Such asymmetries are usually neglected in abundance analyses. The determination of the ^6Li/^7Li isotopic ratio is prone to suffering from such asymmetries, as the contribution of ^6Li is a slight blending reinforcement of the red wing of each component of the corresponding ^7Li line, with respect to its blue wing. Aims: The present paper studies the halo star HD 74000 and estimates the impact of convection-related asymmetries on the Li isotopic ratio determination. Methods: Two methods are used to meet this aim. The first, which is purely empirical, consists in deriving a template profile from another element that can be assumed to originate in the same stellar atmospheric layers as Li I, producing absorption lines of approximately the same equivalent width as individual components of the ^7Li I resonance line. The second method consists in conducting the abundance analysis based on NLTE line formation in a 3D hydrodynamical model atmosphere, taking into account the effects of photospheric convection. Results: The results of the first method show that the convective asymmetry generates an excess absorption in the red wing of the ^7Li absorption feature that mimics the presence of ^6Li at a level comparable to the hitherto published values. This opens the possibility that only an upper limit on ^6Li/^7Li has thus far been derived. The second method confirms these findings. Conclusions: From this work, it appears that a systematic reappraisal of former determinations of ^6Li abundances in halo stars is warranted. Based on observations carried out at the European Southern Observatory (ESO), under prog. ID 75.D-0600. Tables 1-3, and additional references are only available in electronic form at http://www.aanda.org

  7. Antiperovskite Li 3 OCl superionic conductor films for solid-state Li-ion batteries

    DOE PAGES

    Lü, Xujie; Howard, John W.; Chen, Aiping; ...

    2016-02-02

    We prepared antiperovskite Li3OCl superionic conductor films via pulsed laser deposition using a composite target. A significantly enhanced ionic conductivity of 2.0 × 10-4 S cm-1 at room temperature is achieved, and this value is more than two orders of magnitude higher than that of its bulk counterpart. Moreover, the applicability of Li3OCl as a solid electrolyte for Li-ion batteries is demonstrated.

  8. LiSICON-Ionic Liquid Electrolyte for Lithium Ion Battery

    DTIC Science & Technology

    2011-08-15

    LiSICON cell with 0.75M LiTFSI /PYR13+FSI- had a capacity of 325 mAh g-1 and coulombic efficiency of 99.8% during cycling at 80 ?C. 15. SUBJECT TERMS 16...with different Li salt concentrations at elevated temperature. A carbon anode in a LiSICON cell with 0.75M LiTFSI /PYR13 + FSI - had a capacity of...triflouromethanesulfonyl)imide ( LiTFSI , 99%, Acros) were used inside an inert atmosphere glovebox. LiTFSI was dissolved in the PYR13 + FSI - and

  9. Ultracold collisions between Li atoms and Li{sub 2} diatoms in high vibrational states

    SciTech Connect

    Quemener, Goulven; Launay, Jean-Michel; Honvault, Pascal

    2007-05-15

    We have performed a quantum-dynamical study of vibrational deexcitation and elastic scattering at ultralow collision energies for the bosonic system {sup 7}Li+{sup 7}Li{sub 2} and for the fermionic system {sup 6}Li+{sup 6}Li{sub 2} with diatomic molecules in high vibrational states. Inelastic rates show a strong and irregular dependence on the vibrational state of the diatomic molecule. For the highest vibrational state which lies near the dissociation limit, vibrational deexcitation processes are not suppressed, but rather depleted, for both bosonic and fermionic systems.

  10. [100]-Oriented LiFePO4 Nanoflakes toward High Rate Li-Ion Battery Cathode.

    PubMed

    Li, Zhaojin; Peng, Zhenzhen; Zhang, Hui; Hu, Tao; Hu, Minmin; Zhu, Kongjun; Wang, Xiaohui

    2016-01-13

    [100] is believed to be a tough diffusion direction for Li(+) in LiFePO4, leading to the belief that the rate performance of [100]-oriented LiFePO4 is poor. Here we report the fabrication of 12 nm-thick [100]-oriented LiFePO4 nanoflakes by a simple one-pot solvothermal method. The nanoflakes exhibit unexpectedly excellent electrochemical performance, in stark contrast to what was previously believed. Such an exceptional result is attributed to a decreased thermodynamic transformation barrier height (Δμb) associated with increased active population.

  11. Strain imaging of a LiCoO2 cathode in a Li-ion battery

    NASA Astrophysics Data System (ADS)

    Matsushita, Yuki; Osaka, Ryuma; Butsugan, Kenta; Takata, Keiji

    2016-09-01

    Li-ion batteries have been recognized as promising devices for a sustainable society. Layered LiCoO2 and graphite are commonly used as electrode materials for Li-ion batteries. When charging and discharging, Li-ions are extracted or inserted into the interlayers, which causes changes in volume. Scanning probe microscopy (SPM) can allow high resolution imaging of these volume changes, which enables us to investigate Li-ion migration without destruction. We observed volume changes in the LiCoO2 cathode using SPM and successfully imaged the distribution of the volume changes corresponding to the LiCoO2 particles. Volume changes in the interspace were significantly larger than those in the particles. The large volume changes are caused by electrolyte flux induced by changes in concentration of Li ions. The volume changes were greatly reduced when the electrolyte dried out. The dry-out and infiltration of electrolyte between the LiCoO2 particles and the current collector spread out with the procedure of degradation of the batteries. The boundaries between the dry-out and infiltration regions acted as barriers of electrolyte flux.

  12. Uniform second Li ion intercalation in solid state ɛ-LiVOPO4

    NASA Astrophysics Data System (ADS)

    Wangoh, Linda W.; Sallis, Shawn; Wiaderek, Kamila M.; Lin, Yuh-Chieh; Wen, Bohua; Quackenbush, Nicholas F.; Chernova, Natasha A.; Guo, Jinghua; Ma, Lu; Wu, Tianpin; Lee, Tien-Lin; Schlueter, Christoph; Ong, Shyue Ping; Chapman, Karena W.; Whittingham, M. Stanley; Piper, Louis F. J.

    2016-08-01

    Full, reversible intercalation of two Li+ has not yet been achieved in promising VOPO4 electrodes. A pronounced Li+ gradient has been reported in the low voltage window (i.e., second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e., first lithium reaction). Here, we employ a combination of hard and soft x-ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO4 cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li+ gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li+ intercalation is a prerequisite for the formation of intermediate phases Li1.50VOPO4 and Li1.75VOPO4. The evolution from LiVOPO4 to Li2VOPO4 via the intermediate phases is confirmed by direct comparison between O K-edge absorption spectroscopy and density functional theory.

  13. Uniform second Li ion intercalation in solid state ϵ-LiVOPO{sub 4}

    SciTech Connect

    Wangoh, Linda W.; Quackenbush, Nicholas F.; Sallis, Shawn; Wiaderek, Kamila M.; Ma, Lu; Wu, Tianpin; Chapman, Karena W.; Lin, Yuh-Chieh; Ong, Shyue Ping; Wen, Bohua; Chernova, Natasha A.; Whittingham, M. Stanley; Guo, Jinghua; Lee, Tien-Lin; Schlueter, Christoph; Piper, Louis F. J.

    2016-08-01

    Full, reversible intercalation of two Li{sup +} has not yet been achieved in promising VOPO{sub 4} electrodes. A pronounced Li{sup +} gradient has been reported in the low voltage window (i.e., second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e., first lithium reaction). Here, we employ a combination of hard and soft x–ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO{sub 4} cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li{sup +} gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li{sup +} intercalation is a prerequisite for the formation of intermediate phases Li{sub 1.50}VOPO{sub 4} and Li{sub 1.75}VOPO{sub 4}. The evolution from LiVOPO{sub 4} to Li{sub 2}VOPO{sub 4} via the intermediate phases is confirmed by direct comparison between O K–edge absorption spectroscopy and density functional theory.

  14. Molecular evolution of the Li/li chemical defence polymorphism in white clover (Trifolium repens L.).

    PubMed

    Olsen, K M; Sutherland, B L; Small, L L

    2007-10-01

    White clover (Trifolium repens) is naturally polymorphic for cyanogenesis (hydrogen cyanide release following tissue damage). The ecological factors favouring cyanogenic and acyanogenic plants have been examined in numerous studies over the last half century, making this one of the best-documented examples of an adaptive polymorphism in plants. White clover cyanogenesis is controlled by two, independently segregating Mendelian genes: Ac/ac controls the presence/absence of cyanogenic glucosides; and Li/li controls the presence/absence of their hydrolysing enzyme, linamarase. In this study, we examine the molecular evolution and population genetics of Li as it relates to the cyanogenesis polymorphism. We report here that Li exists as a single-copy gene in plants possessing linamarase activity, and that the absence of enzyme activity in li/li plants is correlated with the absence of much or all of the gene from the white clover genome. Consistent with this finding, we confirm by reverse transcription-polymerase chain reaction that Li gene expression is absent in plants lacking enzyme activity. In a molecular population genetic analysis of Li and three unlinked genes using a worldwide sample of clover plants, we find an absence of nucleotide variation and statistically significant deviations from neutrality at Li; these findings are consistent with recent positive directional selection at this cyanogenesis locus.

  15. Uniform second Li ion intercalation in solid state {var_epsilon}-LiVOPO4

    SciTech Connect

    Wangoh, Linda W.; Sallis, Shawn; Wiaderek, Kamila M.; Lin, Yuh-Chieh; Wen, Bohua; Quackenbush, Nicholas F.; Chernova, Natasha A.; Guo, Jinghua; Ma, Lu; Wu, Tianpin; Lee, Tien-Lin; Schlueter, Christoph; Ong, Shyue Ping; Chapman, Karena W.; Whittingham, M. Stanley; Piper, Louis F. J.

    2016-08-01

    Full, reversible intercalation of two Li+ has not yet been achieved in promising VOPO4 electrodes. A pronounced Li+ gradient has been reported in the low voltage window (i.e. second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e first lithium reaction). Here we employ a combination of hard and soft x–ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO4 cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li+ gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li+ intercalation is a prerequisite for the formation of intermediate phases Li1:50VOPO4 and Li1:75VOPO4. The evolution from LiVOPO4 to Li2VOPO4 via the intermediate phases is confirmed by direct comparison between O K–edge absorption spectroscopy and density functional theory.

  16. Ferromagnetism in chemically reduced LiNbO3 and LiTaO3 crystals

    NASA Astrophysics Data System (ADS)

    Yan, Tao; Ye, Ning; Xu, Liuwei; Sang, Yuanhua; Chen, Yanxue; Song, Wei; Long, Xifa; Wang, Jiyang; Liu, Hong

    2016-05-01

    The ferromagnetism of bulk LiNbO3 and LiTaO3 at room temperature was investigated for the first time in the present work. The stoichiometric LiNbO3 is non-magnetic, while congruent LiNbO3 and LiTaO3 show very weak ferromagnetism. After chemical reduction in a mixture of zinc and lithium carbonate powders under flowing nitrogen, the ferromagnetic behavior of each sample became clear, with an increased value of magnetization. The saturation magnetization, the magnetic remanence and the coercive field of reduced congruent LiNbO3 are 7.0  ×  10-3 emu g-1, 0.65  ×  10-3 emu g-1 and 0.050 kOe, respectively. The ferromagnetism of chemically reduced LiNbO3 and LiTaO3 can be explained by considering the intrinsic Li vacancies, the appearance of Nb4+ (or Ta4+) on the surface with non-zero net spin and the oxygen vacancies at the surface.

  17. Specification For ST-5 Li Ion Battery

    NASA Technical Reports Server (NTRS)

    Castell, Karen D.; Day, John H. (Technical Monitor)

    2000-01-01

    This Specification defines the general requirements for rechargeable Space Flight batteries intended for use in the ST-5 program. The battery chemistry chosen for this mission is lithium ion (Li-Ion).

  18. Li + grafting of ion irradiated polyethylene

    NASA Astrophysics Data System (ADS)

    Švorčík, V.; Rybka, V.; Vacík, J.; Hnatowicz, V.; Öchsner, R.; Ryssel, H.

    1999-02-01

    Foils of oriented polyethylene (PE) were irradiated with 63 keV Ar + and 155 keV Xe + ions to different fluences at room temperature and then doped from water solution of LiCl. The as irradiated and irradiated plus doped samples were examined by IR, EPR and neutron depth profiling (NDP) technique. The sheet resistance was also measured by the standard two points method. After Li salt doping of ion modified layer of PE, a reaction between degraded macromolecules and Li occur and thus a new chemical structure C-Li + is formed. Owing to the presence of these cations on the polymer chain, the irradiated plus doped layer exhibits higher electric conductivity compared to as-irradiated ones.

  19. LiDAR as an Exploration Tool

    DOE Data Explorer

    Boschmann, D.; Diles, J.; Clarno, J.; Meigs, A.; Walsh, P.

    2011-01-01

    Using LiDAR to identify structural and volcanic evolution of a Miocene-Pleistocene age bimodal volcanic complex and implications for geothermal potential. The file includes an updated geologic map, methods, and preliminary results.

  20. Nanotechnology in Li-ion Batteries

    SciTech Connect

    Mukaibo, Hitomi

    2010-06-04

    This is the second of three talks on nanostructures for li-ion batteries. The talks provide an up-to-date review of the issues and challenges facing Li-ion battery research with special focus on how nanostructures/ nanotechnology are being applied to this field. Novel materials reported as prospective candidates for anode, cathode and electrolyte will be summarized. The expected role of nanostructures in improving the performance of Li-ion batteries and the actual pros and cons of using such structures in this device will be addressed. Electrochemical experiments used to study Li-ion batteries will also be discussed. This includes the introduction to the standard experimental set-up and how experimental data (from charge-discharge experiments, cyclic voltammetry, impedance spectroscopy, etc) are interpreted.

  1. Li'l Red Schoolhouse workshops

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Education specialists at Stennis conduct staff development workshops for elementary and secondary teachers of math, science and technology and other subjects as well as specialized workshops conducted in the NASA Li'l Red Schoolhouse.

  2. Laboratory submillimeter transition frequencies of Li-7H and Li-6H. [used for abundance investigations in red giant stars

    NASA Technical Reports Server (NTRS)

    Plummer, G. M.; Herbst, E.; De Lucia, F. C.

    1984-01-01

    The fundamental (J = 1 - 0) rotational transition frequencies of Li-7H and Li-6H in their ground (v = 0) vibrational states and of Li-7H in its first excited (v = 1) vibrational state have been measured in the laboratory. Use of these transition frequencies should permit astronomical investigations of LiH abundances in red giant stars of high lithium abundance.

  3. Unravelling Li-Ion Transport from Picoseconds to Seconds: Bulk versus Interfaces in an Argyrodite Li6PS5Cl-Li2S All-Solid-State Li-Ion Battery.

    PubMed

    Yu, Chuang; Ganapathy, Swapna; de Klerk, Niek J J; Roslon, Irek; van Eck, Ernst R H; Kentgens, Arno P M; Wagemaker, Marnix

    2016-09-07

    One of the main challenges of all-solid-state Li-ion batteries is the restricted power density due to the poor Li-ion transport between the electrodes via the electrolyte. However, to establish what diffusional process is the bottleneck for Li-ion transport requires the ability to distinguish the various processes. The present work investigates the Li-ion diffusion in argyrodite Li6PS5Cl, a promising electrolyte based on its high Li-ion conductivity, using a combination of (7)Li NMR experiments and DFT based molecular dynamics simulations. This allows us to distinguish the local Li-ion mobility from the long-range Li-ion motional process, quantifying both and giving a coherent and consistent picture of the bulk diffusion in Li6PS5Cl. NMR exchange experiments are used to unambiguously characterize Li-ion transport over the solid electrolyte-electrode interface for the electrolyte-electrode combination Li6PS5Cl-Li2S, giving unprecedented and direct quantitative insight into the impact of the interface on Li-ion charge transport in all-solid-state batteries. The limited Li-ion transport over the Li6PS5Cl-Li2S interface, orders of magnitude smaller compared with that in the bulk Li6PS5Cl, appears to be the bottleneck for the performance of the Li6PS5Cl-Li2S battery, quantifying one of the major challenges toward improved performance of all-solid-state batteries.

  4. Lost in Translation (LiT)

    PubMed Central

    Dollery, Colin T

    2014-01-01

    Translational medicine is a roller coaster with occasional brilliant successes and a large majority of failures. Lost in Translation 1 (‘LiT1’), beginning in the 1950s, was a golden era built upon earlier advances in experimental physiology, biochemistry and pharmacology, with a dash of serendipity, that led to the discovery of many new drugs for serious illnesses. LiT2 saw the large-scale industrialization of drug discovery using high-throughput screens and assays based on affinity for the target molecule. The links between drug development and university sciences and medicine weakened, but there were still some brilliant successes. In LiT3, the coverage of translational medicine expanded from molecular biology to drug budgets, with much greater emphasis on safety and official regulation. Compared with R&D expenditure, the number of breakthrough discoveries in LiT3 was disappointing, but monoclonal antibodies for immunity and inflammation brought in a new golden era and kinase inhibitors such as imatinib were breakthroughs in cancer. The pharmaceutical industry is trying to revive the LiT1 approach by using phenotypic assays and closer links with academia. LiT4 faces a data explosion generated by the genome project, GWAS, ENCODE and the ‘omics’ that is in danger of leaving LiT4 in a computerized cloud. Industrial laboratories are filled with masses of automated machinery while the scientists sit in a separate room viewing the results on their computers. Big Data will need Big Thinking in LiT4 but with so many unmet medical needs and so many new opportunities being revealed there are high hopes that the roller coaster will ride high again. PMID:24428732

  5. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    Kornreich, Philip

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and clear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiN bo, Cylinder Fiber. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a "D". The core with its surrounding LiNbO, layer would be close to the flat portion of the "D" shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO3 layer. To our knowledge this is the first ever LiNbO3 Cylinder Fiber made.

  6. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and dear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiNbO3 Cylinder Fiber is shown. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a 'D'. The core with its surrounding LiNbO, layer would be close to the flat portion of the 'D' shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO, layer. To our knowledge this is the first ever LiNbO, Cylinder Fiber made.

  7. Negative Electrodes for Li-Ion Batteries

    SciTech Connect

    Kinoshita, Kim; Zaghib, Karim

    2001-10-01

    Graphitized carbons have played a key role in the successful commercialization of Li-ion batteries. The physicochemical properties of carbon cover a wide range; therefore identifying the optimum active electrode material can be time consuming. The significant physical properties of negative electrodes for Li-ion batteries are summarized, and the relationship of these properties to their electrochemical performance in nonaqueous electrolytes, are discussed in this paper.

  8. Studies on the thermoluminescence spectra and thermal stability of LiF:Mg,Cu, LiF:Mg,Cu,Na and LiF:Mg,Cu,Si

    NASA Astrophysics Data System (ADS)

    Yang, B.; Lu, Q.; Wang, S.; Townsend, P. D.

    2005-09-01

    Four thermoluminescence (TL) peaks at 60-90, 100-130, 130-180 and 180-220 °C (the main peak) were observed from LiF:Mg,Cu, LiF:Mg,Cu,Na and LiF:Mg,Cu,Si. The recorded emission bands were at 375 and 414 nm in LiF:Mg,Cu, at 379 and 424 nm in LiF:Mg,Cu,Na and 378 and 425 nm in LiF:Mg,Cu,Si. The loss of TL intensity and temperature shift of the main peak were observed in LiF:Mg,Cu, LiF:Mg,Cu,Na, LiF:Mg,Cu,Si, LiF:Mg,Cu,Na,Si and LiF:Mg as well as in LiF:Mg,Cu,P, when the sample was heated to above 270 °C. It is suggested that those are the common behaviors in the Mg doped LiF samples, if the concentration of magnesium is properly high. Those behaviors are supposed to be associated with the precipitated phase of Mg and the secondary phase - Mg/(other impurities) complex.

  9. Lithium diffusion in spinel Li4Ti5O12 and LiTi2O4 films detected with 8Liβ -NMR

    NASA Astrophysics Data System (ADS)

    Sugiyama, Jun; Umegaki, Izumi; Uyama, Takeshi; McFadden, Ryan M. L.; Shiraki, Susumu; Hitosugi, Taro; Salman, Zaher; Saadaoui, Hassan; Morris, Gerald D.; MacFarlane, W. Andrew; Kiefl, Robert F.

    2017-09-01

    Diffusion of Li+ in (111) oriented thin films of the spinels Li4Ti5O12 and LiTi2O4 has been studied with 8Liβ -detected NMR in the temperature range between 5 and 310 K. In Li4Ti5O12 , the spin-lattice relaxation rate (1 /T1 ) versus temperature shows a clear maximum around 100 K (=Tmax ) which we attribute to magnetic freezing of dilute Ti3 + local magnetic moments, consistent with the results of magnetization and muon spin relaxation (μ+SR ) measurements. The decrease in 1 /T1 with temperature above Tmax indicates that Li+ starts to diffuse with a thermal activation energy (Ea) of 0.11(1) eV. In LiTi2O4 , on the contrary, as temperature increases from 200 K, 1 /T1 increases monotonically up to 310 K. This suggests that Li also starts to diffuse above 200 K with Ea=0.16 (2 ) eV in LiTi2O4 . Comparison with conventional Li-NMR on Li4Ti5O12 implies that both β -NMR and μ+SR sense short-range Li motion, i.e., a jump diffusion of Li+ to the nearest neighboring sites.

  10. One-pot liquid phase synthesis of (100-x)Li3PS4-xLiI solid electrolytes

    NASA Astrophysics Data System (ADS)

    Phuc, Nguyen Huu Huy; Hirahara, Eito; Morikawa, Kei; Muto, Hiroyuki; Matsuda, Atsunori

    2017-10-01

    (100-x)Li3PS4-xLiI solid electrolytes are successfully prepared using a simple process proposed in this study. The results show that the heat-treatment process plays a crucial role in the formation of the final product. In the case of x = 33.3%, 2Li3PS4-1LiI, a nearly pure crystalline phase of Li7P2S8I (LPSI), is obtained. The cyclic voltammogram result and DC polarization curves indicate that the interfacial layer between LPSI and the Li metal is stable. Li2S, LiI, Li5P, Li4P2S6, and some unknown substances were detected in the interfacial layer by XRD.

  11. Tracing Waste Water with Li isotopes

    NASA Astrophysics Data System (ADS)

    Millot, R.; Desaulty, A. M.

    2015-12-01

    The contribution of human activities such as industries, agriculture and various domestic inputs, becomes more and more significant in the chemical composition of the dissolved load of rivers. Human factors act as a supplementary key process. Therefore the mass-balance for the budget of catchments and river basins include anthropogenic disturbances. In the present study, we investigate waste water tracing by the use of Li isotopes in a small river basin near Orléans in France (l'Egoutier, 15 km² and 5 km long). It is well known that Li has strategic importance for numerous industrial applications including its use in the production of batteries for both mobile devices (computers, tablets, smartphones, etc.) and electric vehicles, but also in pharmaceutical formulations. In the present work, we collected river waters samples before and after the release from a waste water treatment plant connected to an hospital. Lithium isotopic compositions are rather homogeneous in river waters with δ7Li values around -0.5‰ ± 1 along the main course of the stream (n=7). The waste water sample is very different from the natural background of the river basin with Li concentration being twice of the values without pollution and significant heavy lithium contribution (δ7Li = +4‰). These preliminary results will be discussed in relation with factors controlling the distribution of Li and its isotopes in this specific system and compared with the release of other metals such as Pb or Zn.

  12. LiGa(OTf)(sub 4) as an Electrolyte Salt for Li-Ion Cells

    NASA Technical Reports Server (NTRS)

    Reddy, V. Prakash; Prakash, G. K. Syria; Hu, Jinbo; Yan, Ping; Smart, Marshall; Bugga, ratnakumar; Chin, Keith; Surampudi, Subarao

    2008-01-01

    Lithium tetrakis(trifluoromethane sulfo - nato)gallate [abbreviated "LiGa(OTf)4" (wherein "OTf" signifies trifluoro - methanesulfonate)] has been found to be promising as an electrolyte salt for incorporation into both liquid and polymer electrolytes in both rechargeable and non-rechargeable lithium-ion electrochemical cells. This and other ingredients have been investigated in continuing research oriented toward im proving the performances of rechargeable lithium-ion electrochemical cells, especially at low temperatures. This research at earlier stages, and the underlying physical and chemical principles, were reported in numerous previous NASA Tech Briefs articles. As described in more detail in those articles, lithiumion cells most commonly contain nonaqueous electrolyte solutions consisting of lithium hexafluorophosphate (LiPF6) dissolved in mixtures of cyclic and linear alkyl carbonates, including ethylene carbonate (EC), propylene carbonate (PC), dimethyl carbonate (DMC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC). Although such LiPF6-based electrolyte solutions are generally highly ionically conductive and electrochemically stable, as needed for good cell performance, there is interest in identifying alternate lithium electrolyte salts that, relative to LiPF6, are more resilient at high temperature and are less expensive. Experiments have been performed on LiGa(OTf)4 as well as on several other candidate lithium salts in pursuit of this interest. As part of these experiments, LiGa(OTf)4 was synthesized by the reaction of Ga(OTf)3 with an equimolar portion of LiOTf in a solvent consisting of anhydrous acetonitrile. Evaporation of the solvent yielded LiGa(OTf)4 as a colorless crystalline solid. The LiGa(OTf)4 and the other salts were incorporated into solutions with PC and DMC. The resulting electrolyte solutions exhibited reasonably high ionic conductivities over a relatively wide temperature range down to 40 C (see figure). In cyclic

  13. The crystalline phases present in carbon cathodes of discharged Li/SOCl2-LiAlCl4 cells

    NASA Astrophysics Data System (ADS)

    Williams, R. M.; Surampudi, S.; Bankston, C. P.

    1989-05-01

    The X-ray diffraction patterns of 100 percent discharged Schawinigan black cathodes from Li/SOCl2-LiAlCl4 cells were obtained using a high resolution Guinier camera. The previous assignments of the diffraction lines to Li2O2 and rhombohedral sulfur are all found to be incorrect; all sharp Bragg diffraction lines not assignable to anhydrous LiCl can be assigned to LiCl.H2O.

  14. Li-7 abundances in halo stars: Testing stellar evolution models and the primordial Li-7 abundance

    NASA Technical Reports Server (NTRS)

    Chaboyer, Brian; Demarque, P.

    1994-01-01

    A large number of stellar evolution models with (Fe/H) = -2.3 and -3.3 have been calculated in order to determine the primordial Li-7 abundance and to test current stellar evolution models by a comparison to the extensive database of accurate Li abundances in extremely metal-poor halo stars observed by Thorburn (1994). Standard models with gray atmospheres do a very good job of fitting the observed Li abundances in stars hotter than approximately 5600 K. They predict a primordial. Li-7 abundance of log N(Li) = 2.24 +/- 0.03. Models which include microscopic diffusion predict a downward curvature in the Li-7 destruction isochrones at hot temperatures which is not present in the observations. Thus, the observations clearly rule out models which include uninhibited microscopic diffusion of Li-7 from the surface of the star. Rotational mixing inhibits the microscopic diffusion and the (Fe/H) = -2.28 stellar models which include both diffusion and rotational mixing provide an excellent match to the mean trend in T(sub eff) which is present in the observations. Both the plateau stars and the heavily depleted cool stars are well fit by these models. The rotational mixing leads to considerable Li-7 depletion in these models and the primordial Li-7 abundance inferred from these models is log N(Li) = 3.08 +/- 0.1. However, the (Fe/H) = -3.28 isochrones reveal problems with the combined models. These isochrones predict a trend of decreasing log N(Li) with increasing T(sub eff) which is not present in the observations. Possible causes for this discrepancy are discussed.

  15. Li-7 abundances in halo stars: Testing stellar evolution models and the primordial Li-7 abundance

    NASA Technical Reports Server (NTRS)

    Chaboyer, Brian; Demarque, P.

    1994-01-01

    A large number of stellar evolution models with (Fe/H) = -2.3 and -3.3 have been calculated in order to determine the primordial Li-7 abundance and to test current stellar evolution models by a comparison to the extensive database of accurate Li abundances in extremely metal-poor halo stars observed by Thorburn (1994). Standard models with gray atmospheres do a very good job of fitting the observed Li abundances in stars hotter than approximately 5600 K. They predict a primordial. Li-7 abundance of log N(Li) = 2.24 +/- 0.03. Models which include microscopic diffusion predict a downward curvature in the Li-7 destruction isochrones at hot temperatures which is not present in the observations. Thus, the observations clearly rule out models which include uninhibited microscopic diffusion of Li-7 from the surface of the star. Rotational mixing inhibits the microscopic diffusion and the (Fe/H) = -2.28 stellar models which include both diffusion and rotational mixing provide an excellent match to the mean trend in T(sub eff) which is present in the observations. Both the plateau stars and the heavily depleted cool stars are well fit by these models. The rotational mixing leads to considerable Li-7 depletion in these models and the primordial Li-7 abundance inferred from these models is log N(Li) = 3.08 +/- 0.1. However, the (Fe/H) = -3.28 isochrones reveal problems with the combined models. These isochrones predict a trend of decreasing log N(Li) with increasing T(sub eff) which is not present in the observations. Possible causes for this discrepancy are discussed.

  16. Li-Ion Battery with LiFePO4 Cathode and Li4Ti5O12 Anode for Stationary Energy Storage

    SciTech Connect

    Wang, Wei; Choi, Daiwon; Yang, Zhenguo

    2013-01-01

    i-ion batteries based on commercially available LiFePO4 cathode and Li4Ti5O12 anode were investigated for potential stationary energy storage applications. The full cell that operated at flat 1.85V demonstrated stable cycling for 200 cycles followed by a rapid fade. A significant improvement in cycling stability was achieved via Ketjen black coating of the cathode. A Li-ion full cell with Ketjen black modified LiFePO4 cathode and an unmodified Li4Ti5O12 anode exhibited negligible fade after more than 1200 cycles with a capacity of ~130mAh/g. The improved stability, along with its cost-effectiveness, environmentally benignity and safety, make the LiFePO4/ Li4Ti5O12 Li-ion battery a promising option of storing renewable energy.

  17. Structural and electrochemical stability of Li-rich layer structured Li2MoO3 in air

    NASA Astrophysics Data System (ADS)

    Ma, Jun; Gao, Yurui; Wang, Zhaoxiang; Chen, Liquan

    2014-07-01

    Li2MnO3 is an important component of the Li-rich Mn-based high-capacity cathode material for lithium ion batteries, xLi2MnO3·(1 - x)LiM‧O2 composites. Replacing Li2MnO3 with iso-structured Li2MoO3 is expected to improve the rate performance and suppress the oxygen release of the composites at high potentials due to the higher electric conductivity of Li2MoO3 and its more facile charge compensation (by Mo4+/Mo6+ redox) upon Li removal than that of Li2MnO3. As part of our series work on the Li2MoO3-based Li-rich layer structured cathode materials, this article is to study the structural and performance stability of Li2MoO3 in air. The obtained information will shed light on the development and application of xLi2MoO3·(1 - x)LiM‧O2 composite cathode materials though Li2MoO3 will not be applied as an independent cathode material.

  18. Synthesis and electrochemistry of cubic rocksalt Li-Ni-Ti-O compounds in the phase diagram of LiNiO 2-LiTiO 2-Li[Li 1/3Ti 2/3]O 2

    NASA Astrophysics Data System (ADS)

    Zhang, Lianqi; Noguchi, Hideyuki; Li, Decheng; Muta, Takahisa; Wang, Xiaoqing; Yoshio, Masaki; Taniguchi, Izumi

    On the basis of extreme similarity between the triangle phase diagrams of LiNiO 2-LiTiO 2-Li[Li 1/3Ti 2/3]O 2 and LiNiO 2-LiMnO 2-Li[Li 1/3Mn 2/3]O 2, new Li-Ni-Ti-O series with a nominal composition of Li 1+ z/3Ni 1/2- z/2Ti 1/2+ z/6O 2 (0 ≤ z ≤ 0.5) was designed and attempted to prepare via a spray-drying method. XRD identified that new Li-Ni-Ti-O compounds had cubic rocksalt structure, in which Li, Ni and Ti were evenly distributed on the octahedral sites in cubic closely packed lattice of oxygen ions. They can be considered as the solid solution between cubic LiNi 1/2Ti 1/2O 2 and Li[Li 1/3Ti 2/3]O 2 (high temperature form). Charge-discharge tests showed that Li-Ni-Ti-O compounds with appropriate compositions could display a considerable capacity (more than 80 mAh g -1 for 0.2 ≤ z ≤ 0.27) at room temperature in the voltage range of 4.5-2.5 V and good electrochemical properties within respect to capacity (more than 150 mAh g -1 for 0 ≤ z ≤ 0.27), cycleability and rate capability at an elevated temperature of 50 °C. These suggest that the disordered cubic structure in some cases may function as a good host structure for intercalation/deintercalation of Li +. A preliminary electrochemical comparison between Li 1+ z/3Ni 1/2- z/2Ti 1/2+ z/6O 2 (0 ≤ z ≤ 0.5) and Li 6/5Ni 2/5Ti 2/5O 2 indicated that charge-discharge mechanism based on Ni redox at the voltage of >3.0 V behaved somewhat differently, that is, Ni could be reduced to +2 in Li 1+ z/3Ni 1/2- z/2Ti 1/2+ z/6O 2 while +3 in Li 6/5Ni 2/5Ti 2/5O 2. Reduction of Ti 4+ at a plateau of around 2.3 V could be clearly detected in Li 1+ z/3Ni 1/2- z/2Ti 1/2+ z/6O 2 with 0.27 ≤ z ≤ 0.5 at 50 °C after a deep charge associated with charge compensation from oxygen ion during initial cycle.

  19. Observation and Analysis of LiCa and LiMg Excimers.

    DTIC Science & Technology

    1981-08-01

    Approved for public release: distribution unlimited Accession Fn7 NTIS GRA&I ( ’ DTIC T.AB , . Justifi -’ : _ ByDistributill/ AvnilVliitv Codcs...10 1. Molecular State Characterization ......................10 2. Electronic Transitions in Li~g and LiCa...11 E Energy ................... ............................16 R Internuclear Separation (A) ...........................16 T Electronic

  20. Excitation functions of {sup 6,7}Li+{sup 7}Li reactions at low energies

    SciTech Connect

    Prepolec, L.; Soic, N.; Blagus, S.; Miljanic, D.; Siketic, Z.; Skukan, N.; Uroic, M.; Milin, M.

    2009-08-26

    Differential cross sections of {sup 6,7}Li+{sup 7}Li nuclear reactions have been measured at forward angles (10 deg. and 20 deg.), using particle identification detector telescopes, over the energy range 2.75-10.00 MeV. Excitation functions have been obtained for low-lying residual-nucleus states. The well pronounced peak in the excitation function of {sup 7}Li({sup 7}Li,{sup 4}He){sup 10}Be(3.37 MeV,2{sup +}) at beam energy about 8 MeV, first observed by Wyborny and Carlson in 1971 at 0 deg., has been observed at 10 deg., but is less evident at 20 deg. The cross section obtained for the {sup 7}Li({sup 7}Li,{sup 4}He){sup 10}Be(g.s,0{sup +}) reaction is about ten times smaller. The well pronounced peak in the excitation function of {sup 7}Li({sup 7}Li,{sup 4}He){sup 10}Be(3.37 MeV,2{sup +}) reaction could correspond to excited states in {sup 14}C, at excitation energies around 30 MeV.

  1. Association and Diffusion of Li(+) in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries.

    PubMed

    Casalegno, Mosè; Castiglione, Franca; Passarello, Marco; Mele, Andrea; Passerini, Stefano; Raos, Guido

    2016-07-21

    Carboxymethylcellulose (CMC) has been proposed as a polymeric binder for electrodes in environmentally friendly Li-ion batteries. Its physical properties and interaction with Li(+) ions in water are interesting not only from the point of view of electrode preparation-processability in water is one of the main reasons for its environmental friendliness-but also for its possible application in aqueous Li-ion batteries. We combine molecular dynamics simulations and variable-time pulsed field gradient spin-echo (PFGSE) NMR spectroscopy to investigate Li(+) transport in CMC-based solutions. Both the simulations and experimental results show that, at concentrations at which Li-CMC has a gel-like consistency, the Li(+) diffusion coefficient is still very close to that in water. These Li(+) ions interact preferentially with the carboxylate groups of CMC, giving rise to a rich variety of coordination patterns. However, the diffusion of Li(+) in these systems is essentially unrestricted, with a fast, nanosecond-scale exchange of the ions between CMC and the aqueous environment. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Electrochemical behavior of Li/LiV3O8 secondary cells

    NASA Astrophysics Data System (ADS)

    Bak, Hyo Rim; Lee, Jae Ha; Kim, Bok Ki; Yoon, Woo Young

    2013-03-01

    Li/LiV3O8 secondary cells with Li-foil and Li-powder anodes were fabricated, and their electrical properties were compared. Using the powder anode, a cell with an initial discharge capacity of 260 mAh g-1 that could be operated for over 100 cycles was obtained. The porous Li-powder electrode was safely synthesized by pressing an emulsion droplet onto an SUS mesh. A threefold increase in the electrical conductivity of the LiV3O8 cathode was achieved by the addition of carbon using a vibration pot mill. Using the powder anode resulted in 80% capacity retention at the 100th cycle, while that using the foil electrode was 46%; the 1.0 Crate/ 0.1 C-rate capacity ratio also increased from 44% to 60%. A cell employing the LiV3O8-carbon composite cathode showed better electrical performance, a capacity retention of 90% after 50 cycles, and an increase in rate capacity ratio. The crystal structure and morphology of the LiV3O8-C composite were investigated by x-ray diffraction and scanning electron microscopy.

  3. Simulated electrolyte-metal interfaces -- Li3PO4 and Li

    NASA Astrophysics Data System (ADS)

    Xu, Xiao; Du, Yaojun A.; Holzwarth, N. A. W.

    2007-03-01

    There has recently been a lot of interest in solid electrolyte materials such as LiPON developed at Oak Ridge National Laboratory for use in Li-ion batteries and other technologies. We report on the results of our model calculations on idealized interfaces between Li3PO4 and Li metal, studying the structural stability and the ion mobility, using first-principles density functional techniques with the PWscf and pwpaw codes. Starting with a supercell constructed from Li3PO4 in its crystalline γ-phase structure and several layers of Li metal, we used optimization and molecular dynamics techniques to find several meta-stable configurations. The qualitative features of the results are consistent with experimental evidence that the electrolyte is quite stable with respect to Li metal. In addition to stability analyses, we plan to study Li-ion diffusion across the interface. J. B. Bates, N. J. Dudney, and co-workers, Solid State Ionics, 53-56, 647-654 (1992). http://www.pwscf.org and http://pwpaw.wfu.edu. N. J. Dudney in Gholam-Abbas Nazri and Gianfranco Pistoia, Eds., Lithium Batteries: Science and Technology, Chapt. 20, pp. 623-642, Kluwer Academic Publishers, 2004. ISBN 1-4020-7628-2.

  4. forced overdischarge related safety aspects of Li/SO2 and Li/SOCl2 cells

    NASA Technical Reports Server (NTRS)

    Abraham, K. M.

    1983-01-01

    Results of an experiment investigating overdischarge behavior of two types of Li/SO2 cells are presented. Forced overdischarges of the Li/LiBr, CH3CN/SO2 cell can result in unsafe behavior such as venting with fire and release of toxic gases. The hazards may be minimized or eliminated by careful cell design considerations and practice of high standards of quality contol in cell manufacture. Seemingly safe cells at 25 C when forced overdischarged at -25 C, even at low currents, exhibited incipient signs of hazards. Their cathodes indicated signs of shock sensitivity. Cathode limited Li/SOCl2 cells were safe during forced overdischarge for long periods of time. Lithium limited Li/SOCl2 cells in which practically all Li had been used up before cell reversal did not exhibit hazardous behavior. Anode limited Li/SOCl2 cells, but not Li limited, exhibited detonations, all during overdischarges at relatively low current densities of or = 1 mA/sq cm 2. Anode potentials 4v with large oscillations preceeded the events. The events were confined to the anode and the temperature rose high enough to melt Ni grids.

  5. Kinetic behavior of LiFeMgPO 4 cathode material for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Hong, Jian; Wang, Chunsheng; Kasavajjula, Uday

    LiFe 0.9Mg 0.1PO 4 material was prepared by mechanical milling method, followed by heat treatment. The equilibrium potential-composition isotherm of LiFe 0.9Mg 0.1PO 4 and charge-discharge kinetics of LiFe 0.9Mg 0.1PO 4 were measured using galvanostatic intermittent titration technique (GITT), potential-step chronoamperometry (PSCA), and electrochemical impedance spectroscopy (EIS). The rate performance of the cathode is controlled by the charge-transfer kinetics, electronic conductivity, Li-ion diffusion capability, and phase transformation rate. Since LiFe 0.9Mg 0.1PO 4 has a fast charge-transfer reaction and high electronic and ionic diffusivity, the phase transformation between LiFe 0.9Mg 0.1PO 4 and Li 0.1Fe 0.9Mg 0.1PO 4 begins to play a more important role in the charge-discharge process, as is evident by an inductive loop induced by the phase transformation in the low frequency region of EIS. The phase purity and morphology of LiFe 0.9Mg 0.1PO 4 were also observed using X-ray diffraction (XRD) and scanning electron microscopy (SEM).

  6. Cosmic Li6 and Li7 problems and BBN with long-lived charged massive particles

    NASA Astrophysics Data System (ADS)

    Jedamzik, Karsten

    2008-03-01

    Charged massive particles (CHAMPs), when present during the big bang nucleosynthesis (BBN) era, may significantly alter the synthesis of light elements when compared to a standard BBN scenario. This is due to the formation of bound states with nuclei. This paper presents a detailed numerical and analytical analysis of such CHAMP BBN. All reactions important for predicting light-element yields are calculated within the Born approximation. Three previously neglected effects are treated in detail: (a) photodestruction of bound states due to electromagnetic cascades induced by the CHAMP decay, (b) late-time efficient destruction/production of H2, Li6, and Li7 due to reactions on charge Z=1 nuclei bound to CHAMPs, and (c) CHAMP exchange between nuclei. Each of these effects may induce orders-of-magnitude changes in the final abundance yields. The study focuses on the impact of CHAMPs on a possible simultaneous solution of the Li6 and Li7 problems. It is shown that a previously suggested simultaneous solution of the Li6 and Li7 problems for a relic decaying at τx≈1000sec⁡ is only weakly dependent on the relic being neutral or charged, unless its hadronic branching ratio is small, Bh≪10-4. By use of a Monte Carlo analysis it is shown that within CHAMP BBN the existence of further parameter space for a simultaneous solution of the Li6 and Li7 problem for long decay times τx≳106sec⁡ seems possible but fairly unlikely.

  7. Interaction of water with LiCl, LiBr, and LiI in the deeply supercooled region.

    PubMed

    Souda, Ryutaro

    2007-12-07

    The hydration mechanism of lithium halides was studied using time-of-flight secondary ion mass spectrometry as a function of temperature. The lithium halides embedded in thin films of amorphous solid water segregate to the surface at temperatures higher than 135-140 K, with efficiency increasing in the order of LiCl, LiBr, and LiI. A monolayer of LiCl and LiI adsorbed on the surface of amorphous solid water tends to diffuse into the bulk at 160 K. The infrared absorption band revealed that the aqueous lithium-halide solutions and crystals are formed simultaneously at 160 K; these phenomena are explicable as a consequence of the evolution of supercooled liquid water. The strong surfactant effect is inferred to arise from hydration of a contact ion pair having hydrophilic (lithium) and hydrophobic (halide) moieties. Furthermore, bulk diffusion of lithium halides might result from the formation of a solvent-separated ion pair in supercooled liquid water. The presence of two liquid phases of water with different local structures is probably responsible for the formation of these two hydrates, consistent with the calculated result reported by Jungwirth and Tobias[J. Phys. Chem. B 106, 6361 (2002)].

  8. The first-principles study for the novel optical properties of LiTi2O4, Li4Ti5O12, Li2Ti2O4 and Li7Ti5O12

    NASA Astrophysics Data System (ADS)

    Liu, Yuxiang; Lian, Jie; Sun, Zhaozong; Zhao, Minglin; Shi, Yujun; Song, Haonan

    2017-06-01

    With the first-principles method based on the density functional theory (DFT), we studied novel optical properties of LiTi2O4, Li4Ti5O12, Li2Ti2O4 and Li7Ti5O12, respectively. According to the calculated electronic structures, the electron redistribution upon Li-ion intercalation has an obvious influence on the electronic transitions between O 2p and Ti 3d states, resulting in distinctions of optical properties between LiTi2O4, Li4Ti5O12, Li2Ti2O4 and Li7Ti5O12. These results not only reveal the fundamental origin of optical properties but also provide practical guidance on optical applications for these materials.

  9. A LiFSI-LiTFSI binary-salt electrolyte to achieve high capacity and cycle stability for a Li-S battery.

    PubMed

    Hu, J J; Long, G K; Liu, S; Li, G R; Gao, X P

    2014-12-04

    LiFSI and LiTFSI are combined to form a binary-salt electrolyte with higher ionic conductivity and lower viscosity for a Li-S battery. A high capacity and stable cycle performance of the sulfur-based composite with high sulfur content are realized in the electrolyte, accompanied simultaneously by the homogeneous lithium deposition on the anode.

  10. A design optimization methodology for Li+ batteries

    NASA Astrophysics Data System (ADS)

    Golmon, Stephanie; Maute, Kurt; Dunn, Martin L.

    2014-05-01

    Design optimization for functionally graded battery electrodes is shown to improve the usable energy capacity of Li batteries predicted by computational simulations and numerically optimizing the electrode porosities and particle radii. A multi-scale battery model which accounts for nonlinear transient transport processes, electrochemical reactions, and mechanical deformations is used to predict the usable energy storage capacity of the battery over a range of discharge rates. A multi-objective formulation of the design problem is introduced to maximize the usable capacity over a range of discharge rates while limiting the mechanical stresses. The optimization problem is solved via a gradient based optimization. A LiMn2O4 cathode is simulated with a PEO-LiCF3SO3 electrolyte and both a Li Foil (half cell) and LiC6 anode. Studies were performed on both half and full cell configurations resulting in distinctly different optimal electrode designs. The numerical results show that the highest rate discharge drives the simulations and the optimal designs are dominated by Li+ transport rates. The results also suggest that spatially varying electrode porosities and active particle sizes provides an efficient approach to improve the power-to-energy density of Li+ batteries. For the half cell configuration, the optimal design improves the discharge capacity by 29% while for the full cell the discharge capacity was improved 61% relative to an initial design with a uniform electrode structure. Most of the improvement in capacity was due to the spatially varying porosity, with up to 5% of the gains attributed to the particle radii design variables.

  11. The Effects of Li/Nb Ratio on the Preparation and Photocatalytic Performance of Li-Nb-O Compounds.

    PubMed

    Zhai, Haifa; Liu, Hairui; Li, Hongjing; Zheng, Liuyang; Hu, Chunjie; Wang, Zhao; Qi, Jingjing; Yang, Jien

    2017-08-15

    The effects of Li/Nb ratio on the preparation of Li-Nb-O compounds by a hydrothermal method were studied deeply. Li/Nb ratio has a great impact on the formation of LiNbO3; the ratio smaller than 3:1 is beneficial to the formation of LiNbO3, while larger than 3:1, forms no LiNbO3 at all and the morphology and chemical bond of Nb2O5 raw material are totally modified by Li ions. The reason can be attributed to the large content of LiOH, which is beneficial to form Li3NbO4 not LiNbO3, and also, even if LiNbO3 particle locally forms, it is easily dissolved in LiOH solution with strong alkalinity. Pure LiNb3O8 powders are obtained with two absolutely opposite Li/Nb ratios: 8:1 and 1:3; the former shows a unique porous and hollow structure, quite different from the particle aggregation (the latter shows). Compared with Li/Nb = 1:3, the 4.2 times higher photocatalytic performance of LiNb3O8 (Li/Nb = 8:1) are observed and it can be attributed to the unique porous and hollow structure, which provides a high density of active sites for the degradation of MB. Compared to LiNbO3, the improved photocatalytic performance of LiNb3O8 can be attributed to its layered structure type with the reduced symmetry enhancing the separation of electrons and holes.

  12. The Effects of Li/Nb Ratio on the Preparation and Photocatalytic Performance of Li-Nb-O Compounds

    NASA Astrophysics Data System (ADS)

    Zhai, Haifa; Liu, Hairui; Li, Hongjing; Zheng, Liuyang; Hu, Chunjie; Wang, Zhao; Qi, Jingjing; Yang, Jien

    2017-08-01

    The effects of Li/Nb ratio on the preparation of Li-Nb-O compounds by a hydrothermal method were studied deeply. Li/Nb ratio has a great impact on the formation of LiNbO3; the ratio smaller than 3:1 is beneficial to the formation of LiNbO3, while larger than 3:1, forms no LiNbO3 at all and the morphology and chemical bond of Nb2O5 raw material are totally modified by Li ions. The reason can be attributed to the large content of LiOH, which is beneficial to form Li3NbO4 not LiNbO3, and also, even if LiNbO3 particle locally forms, it is easily dissolved in LiOH solution with strong alkalinity. Pure LiNb3O8 powders are obtained with two absolutely opposite Li/Nb ratios: 8:1 and 1:3; the former shows a unique porous and hollow structure, quite different from the particle aggregation (the latter shows). Compared with Li/Nb = 1:3, the 4.2 times higher photocatalytic performance of LiNb3O8 (Li/Nb = 8:1) are observed and it can be attributed to the unique porous and hollow structure, which provides a high density of active sites for the degradation of MB. Compared to LiNbO3, the improved photocatalytic performance of LiNb3O8 can be attributed to its layered structure type with the reduced symmetry enhancing the separation of electrons and holes.

  13. Characteristic of Absorption Heat Transfer using LiBr+LiI Solution

    NASA Astrophysics Data System (ADS)

    Tsujimori, Atsushi; Ozaki, Eiichi; Nakao, Kazushige

    LiBr-H20 absorption chiller is widely used in Japan, and many research have been made for absorption characteristic in terms of enhancing heat transfer. Another study have been performed for widening working range with higher crystallization limits, and it was reported that adding LiI salt to LiBr-H20 working fluid provide about 5 [mass%] higher crystallization limit under the condition of absorption pressure range. It is necessary to reveal absorption heat transfer performance to utilize this working fluid pair for absorption chiller. In this study absorption heat transfer characteristic was investigated for horizontal and vertical tube. As a result, it was found that heat transfer coefficient increased as mass flow rate of solution increased and mass concentration of solution decrease and that these characteristic were almost the same as LiBr solution, though this solution gave slightly less heat transfer coefficient than LiBr solution.

  14. Effect of Li/Nb Ratio on Growth and Spectrometric Characterization of Hf:Fe:LiNbO3 Crystals

    NASA Astrophysics Data System (ADS)

    Dai, Li; Wu, Shi-Ping; Guo, Jing-Jie; Xu, Chao; Su, Yan-Qing; Xu, Yu-Heng

    Hf:Fe:LiNbO3 crystals were grown by the Czochralski technique with various ratios of Li/Nb = 0.946, 1.05, 1.20 and 1.38 in the melt. The crystal composition and defect structure were analyzed by XRD, UV-Vis and IR spectroscopy. The results show that the threshold concentration of Hf in LiNbO3 crystals decrease with the increasing of the Li/Nb ratio; when the Li/Nb ratio is 1.05, the threshold concentration of Hf is less than 2 mol%, largely under the threshold concentration of Hf ions in congruent Hf:Fe:LiNbO3 crystal (4 mol).1-3 With the increase of Li/Nb, Hf ions first replace the Nb4+ Li; when the concentration of Hf ions is higher than the threshold value, Hf ions occurs on normal Nb and Li sites.

  15. Li-FSI Impurity Impact Study: Final CRADA Report

    SciTech Connect

    Pupek, Krzysztof; Dzwiniel, Trevor; Krumdick, Gregory

    2017-01-01

    There is growing interest in lithium bis(fluorosulfonyl)imide (LiFSI ) as an alternative to LiPF6 and as an additive to electrolytes used in lithium-ion cells. LiFSI has attracted attention because it is reported to have higher ionic conductivity, better high temperature stability, and enhanced stability toward hydrolysis, Also, LiFSI additive to electrolytes can bring benefits of improved storage properties and reduced gas evolution in the cells. Different levels of different electrochemically active impurities could affect the performance of LiFSI as an electrolyte salt for Li-ion batteries, generating inconsistent and conflicting interpretations of the experimental data.

  16. Electrolytes in Support of 5V Li-ion Batteries

    DTIC Science & Technology

    2010-12-16

    OF: a. REPORT b. ABSTRACT c . THIS PAGE 17. LIMITATION OF ABSTRACT 18. NUMBER OF PAGES 19a. NAME OF RESPONSIBLE PERSON...candidates LiCoPO4, LiNi0.5Mn1.5O4, Li2FeCoPO4 etc, projected to deliver 15~40% more energy than state-of-art LiFePO4 The additive invented by SEDD is...battery pack for HEV as example: 300 V hybrid electric system • requires at least 100 LiFePO4 Li ion cells in series • power electronics, protection

  17. Suppressing The Growth Of Dendrites In Secondary Li Cells

    NASA Technical Reports Server (NTRS)

    Davies, Evan D.; Perrone, David E.; Shen, David H.

    1996-01-01

    Proposed technique for suppressing growth of lithium dendrites in rechargeable lithium electrochemical power cells involves periodic interruption of steady charging current with short, high-current discharge pulses. Technique applicable to lithium cells of several different types, including Li/TiS(2), Li/NbSe(3), Li/CoO(2), Li/MoS(2), Li/Vo(x), and Li/MnO(2). Cells candidates for use in spacecraft, military, communications, automotive, and other applications in which high-energy-density rechargeable batteries needed.

  18. Composition gradients in electrolyzed LiCl-KCl eutectic melts

    NASA Astrophysics Data System (ADS)

    Vallet, C. E.; Heatherly, D. E.; Braunstein, J.

    1983-12-01

    Analysis of transport in a mixed electrolyte has previously predicted significant composition gradients in the LiCl-KCl electrolyte of high temperature LiS/ batteries. Composition gradients in quenched electrolyzed LiCl-KCl eutectic contained in yttria felt are measured with high distance resolution by scanning electron microscopy with energy dispersive X-ray spectroscopy. The reported results include composition profiles of LiCl-KCl coontained in porous Y2O3 and electrolyzed in three cells, two with solid Li-Al electrodes and one with a porous Li-Al anode.

  19. Anharmonicity and phase stability of antiperovskite Li3OCl

    NASA Astrophysics Data System (ADS)

    Chen, Min-Hua; Emly, Alexandra; Van der Ven, Anton

    2015-06-01

    A lattice-dynamics study of the cubic Li3OCl antiperovskite, a candidate solid electrolyte in lithium-ion batteries, reveals the presence of dynamical instabilities with respect to rotations of the Li6O octahedra. Calculated energy landscapes in the subspace of unstable octahedral rotational modes are very shallow with at most a 1 meV per formula unit reduction in energy upon breaking the cubic symmetry. While Li3OCl is not stable relative to decomposition into Li2O and LiCl at 0 K, estimates of the vibrational free energy suggest that Li3OCl antiperovskite should become entropically stabilized above approximately 480 K.

  20. Theory of laser enhancement and suppression of cold reactions: the fermion-boson 6Li+7Li2<-->(variant Planck's over 2pi omega0) 6Li7Li+7Li radiative collision.

    PubMed

    Li, Xuan; Parker, Gregory A; Brumer, Paul; Thanopulos, Ioannis; Shapiro, Moshe

    2008-03-28

    We present a nonperturbative time-dependent quantum mechanical theory of the laser catalysis and control of a bifurcating A+BC<-->(variant Planck's over 2pi omega(0))ABC*(v)<-->(variant Planck's over 2pi omega(0) )AB+C reaction, with ABC*(v) denoting an intermediate, electronically excited, complex of ABC in the vth vibrational state. We apply this theory to the low collision energy fermion-boson light-induced exchange reaction, (6)Li((2)S)+(7)Li(2)((3)Sigma(u)(+))<-->(variant Planck's over 2pi omega(0))((6)Li(7)Li(7)Li)*<-->(variant Planck's over 2pi omega(0))(6)Li(7)Li((3)Sigma(+))+(7)Li((2)S). We show that at very low collision energies and energetically narrow (approximately 0.01 cm(-1)) initial reactant wave packets, it is possible to tune the yield of the exchange reaction from 0 to near-unity (yield >or=99%) values. Controllability is somewhat reduced at collisions involving energetically wider (approximately 1 cm(-1)) initial reactant wave packets. At these energetic bandwidths, the radiative reactive control, although still impressive, is limited to the 0%-76% reactive-probabilities range.

  1. Thermodynamic optimization of the Li-Pb system aided by first-principles calculations

    NASA Astrophysics Data System (ADS)

    Zhou, Chenyang; Guo, Cuiping; Li, Changrong; Du, Zhenmin

    2016-08-01

    The Li-Pb system was optimized using CALPHAD (CALculation of PHAse Diagram) method. The enthalpies of formation of eight intermetallic compounds Li4Pb (Li22Pb5), Li7Pb2, Li10Pb3, Li3Pb, Li8Pb3, Li5Pb2, αLiPb and βLiPb at 0 K were calculated from first-principles calculations with DFT + GGA approximations. The liquid phase was treated as (Li,Li0.8Pb0.2,Pb) using an associated solution model because a short-range-order phenomenon was proven to exist in liquid. The solution phases fcc and bcc were described as (Li,Pb) with a simple substitutional model. The intermetallic compounds Li4Pb, Li3Pb and Li5Pb2 were treated as stoichiometric compounds. With certain solubility ranges, the intermetallic compounds Li7Pb2, αLiPb and βLiPb were modeled as Li7(Li,Pb)2, (Li,Pb)(Li,Pb) and (Li,Pb)(Li,Pb) using the two-sublattice model. A set of self-consistent thermodynamic parameters in the Li-Pb system was obtained in the present work.

  2. Development of overcharge tolerance in Li/FeS and Li/FeS/sub 2/ cells

    SciTech Connect

    Kaun, T.D.; Holifield, T.F.; Nigohosian, M.; Nelson, P.A.

    1988-01-01

    An innovative application of a self-discharge mechanism for molten-electrolyte Li-alloy/FeS/sub x/ cells has led to the development of overcharge-tolerant cells. Conventional Li-alloy/FeS/sub x/ battery cells require an electronic charger/equalizer. Two versions of the cell have been demonstrated: LiAl+10 Mol% Li/sub 5/Al/sub 5/Fe/sub 2//LiCl-LiBr-KBr (BN, MgO)/FeS/sub 2/ (operated at 400/degree/C) and LiAl+10 mol% Li/sub 5/Fe/sub 2//LiF-LiCl-LiBr(MgO)/FeS (operated at 475/degree/C). These cells exhibit a unique combination of overcharge capacity and extended trickle-charge tolerance at 2--5 mA/cm/sup 2/. The basis for the self-discharge is diffusion of reduced lithium species across the separator by a lithium-shuttle mechanism that is controlled by the Li-activity of the Li-alloy electrode. A bimodal self-discharge rate (a 20-fold increase toward the end of charge) results from a 150--250 mV step increase in Li-activity. Cells having overcharge tolerance have operated with stable performance for greater than 200 cycles. The overcharge tolerance rates are sufficient for battery cells to exhibit built-in charge/equalization capability. 11 refs., 6 figs.

  3. Quantitative analysis of Li by PIGE technique

    NASA Astrophysics Data System (ADS)

    Fonseca, M.; Mateus, R.; Santos, C.; Cruz, J.; Silva, H.; Luis, H.; Martins, L.; Jesus, A. P.

    2017-09-01

    In this work, the cross section of the reactions 7Li(p,pγ)7Li (γ - 478 keV) at the proton energy range 2.0-4.2 MeV was measured. The measurements were carried out at the 3 MV Tandem Accelerator at the CTN/IST Laboratory in Lisbon. To validate the obtained results, calculated gamma-ray yields were compared, at several proton energy values, with experimental yields for thick samples made of inorganic compounds containing lithium. In order to quantify the light elements present in the samples, we used a standard free method for PIGE in thick samples, based on a code - Emitted Radiation Yield Analysis (ERYA), which integrates the nuclear reaction excitation function along the depth of the sample. We also demonstrated the capacity of the technique for analysis of Li ores, as Spodumene, Lithium Muscovite and Holmquistite, and Li-alloys for plasma facing materials showing that this is a reliable and accurate method for PIGE analysis of Li in thick samples.

  4. Formation and reduction behaviors of zirconium oxide compounds in LiCl-Li2O melt at 923 K

    NASA Astrophysics Data System (ADS)

    Sakamura, Yoshiharu; Iizuka, Masatoshi; Kitawaki, Shinichi; Nakayoshi, Akira; Kofuji, Hirohide

    2015-11-01

    The reduction behaviors of ZrO2, Li2ZrO3 and (U,Pu,Zr)O2 in a LiCl-Li2O salt bath at 923 K were investigated. This study was conducted as part of a feasibility study on the pyrochemical treatment of damaged fuel debris generated by severe accidents at light water reactors. It was demonstrated in electrolytic reduction tests that the uranium in synthetic corium specimens of (U,Pu,Zr)O2 with various ZrO2 contents could be reduced to the metallic form and that part of the zirconium was converted to Li2ZrO3. Zirconium metal and Li2ZrO3 were obtained by the reduction of ZrO2. The reduction of Li2ZrO3 did not proceed even in LiCl containing no Li2O. Moreover, the stable chemical forms of the ZrO2-Li2O complex oxide were investigated as a function of the Li2O concentration in LiCl. ZrO2 was converted to Li2ZrO3 at a Li2O concentration of 0.018 wt%. As the Li2O concentration was increased, Li2ZrO3 was converted to Li6Zr2O7 and then to Li8ZrO6. It is suggested that the removal of Li2ZrO3 from the reduction product is a key point in the pyrochemical treatment of corium.

  5. Computational Studies of Solubilities of LiO2 and Li2O2 in Aprotic Solvents

    DOE PAGES

    Cheng, Lei; Redfern, Paul; Lau, Kah Chun; ...

    2017-08-12

    Knowledge of the solubilities of Li2O2 and LiO2 in aprotic solvents is important for insight into the discharge and charge processes of Li-O2 batteries, but these quantities are not well known. In this contribution, the solvation free energies of molecular LiO2 and Li2O2 in various organic solvents were calculated using various explicit and implicit solvent models, as well as ab initio molecular dynamics (AIMD) methods. Best estimates for the solvation energies from these calculations along with calculated lattice energies of Li2O2 and LiO2 were used to determine the solubility of bulk LiO2 and Li2O2. The computed solubility of LiO2 (1.8more » × 10-2 M) is about 15 orders higher than that of Li2O2 (2.0 × 10-17 M) due to a much less negative lattice energy of bulk LiO2 compared to that of Li2O2. The difference in solubilities between LiO2 and Li2O2 likely will affect the nucleation and growth mechanisms and resulting morphologies of the products formed during battery discharge, influencing the performance of the battery cell. In conclusion, the calculated LiO2 and Li2O2 solubilities provide important information for fundamental studies of discharge and charge chemistries in Li-O2 batteries.« less

  6. Corrosion studies of LiH thin films

    NASA Astrophysics Data System (ADS)

    Tonks, J. P.; King, M. O.; Galloway, E. C.; Watts, J. F.

    2017-02-01

    Thin films of LiH and its corrosion products were studied using temperature programmed decomposition (TPD), x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). Thin films were grown on Ni(100) in an ultra high vacuum system using an electron beam evaporator. Characteristic Li KLL AES peaks were identified for Li, LiH, Li2O and LiOH which facilitated identification of thin film composition. XPS of the O 1s region revealed three distinct chemical shifts which were attributed to Li2O, LiOH and chemisorbed H2O. We show that exposing LiH to very low H2O partial pressures results in formation of LiOH/Li2O domains on LiH. We also show that these XPS peaks can be linked to reaction mechanisms in the TPD profiles. TPD traces have been explicitly modelled to determine the activation energies of the reactions and compare favourably with previous measurements on bulk LiH samples.

  7. Enhanced electrochemical performance of Li-rich cathode Li[Li0.2Mn0.54Ni0.13Co0.13]O2 by surface modification with lithium ion conductor Li3PO4

    NASA Astrophysics Data System (ADS)

    Wang, Zhiyuan; Luo, Shaohua; Ren, Jie; Wang, Dan; Qi, Xiwei

    2016-05-01

    Li-rich layered cathode Li[Li0.2Mn0.54Ni0.13Co0.13]O2 is prepared via a co-precipitation followed with high-temperature calcination, and then successfully modified with nano-Li3PO4 by ball milling and annealing. The TEM and EDS reveal that Li3PO4 is homogeneously coated on the particle surface of Li[Li0.2Mn0.54Ni0.13Co0.13]O2. And the electrochemical performance of Li[Li0.2Mn0.54Ni0.13Co0.13]O2 is significantly improved by coating with lithium ion conductor Li3PO4. The Li3PO4-coated sample delivers a high initial discharge capacity of 284.7 mAhg-1 at 0.05 C, and retains 192.6 mAhg-1 after 100 cycles at 0.5 C, which is higher than that of the pristine sample (244 mAhg-1 at 0.05 C and 168.2 mAhg-1 after 100 cycles at 0.5 C). The electrochemical impedance spectroscopy (EIS) demonstrates that the resistance for Li/Li3PO4-coated Li[Li0.2Mn0.54Ni0.13Co0.13]O2 cell was reduced compared to Li/Li[Li0.2Mn0.54Ni0.13Co0.13]O2, which indicates the Li3PO4 coating layer with high ionic conductivity (6.6 × 10-8 S cm-1) facilitates the diffusion of lithium ions through the interface between electrode and electrolyte and accelerates the charge transfer process. What is more, the Li3PO4 coating layer can also act as a protection layer to protect the cathode material from encroachment of electrolyte. The two aspects account for the enhanced electrochemical performance of Li3PO4-coated Li[Li0.2Mn0.54Ni0.13Co0.13]O2.

  8. Li14P2O3N6 and Li7PN4: Computational study of two nitrogen rich crystalline LiPON electrolyte materials

    NASA Astrophysics Data System (ADS)

    Al-Qawasmeh, Ahmad; Holzwarth, N. A. W.

    2017-10-01

    Two lithium oxonitridophosphate materials are computationally examined and found to be promising solid electrolytes for possible use in all solid-state batteries having metallic Li anodes - Li14P2O3N6 and Li7PN4. The first principles simulations are in good agreement with the structural analyses reported in the literature for these materials and the computed total energies indicate that both materials are stable with respect to decomposition into binary and ternary products. The computational results suggest that both materials are likely to form metastable interfaces with Li metal. The simulations also find both materials to have Li ion migration activation energies comparable or smaller than those of related Li ion electrolyte materials. Specifically, for Li7PN4, the experimentally measured activation energy can be explained by the migration of a Li ion vacancy stabilized by a small number of O2- ions substituting for N3- ions. For Li14P2O3N6, the activation energy for Li ion migration has not yet been experimentally measured, but simulations predict it to be smaller than that measured for Li7PN4.

  9. Neutron scattering studies of glassy Li+ superionics

    NASA Astrophysics Data System (ADS)

    Heitmann, Tom; Zella, Leo; Zaidi, Ali; Rathore, Munesh; Dalvi, Anshuman; Mitra, Saibal

    2013-03-01

    Two distinct neutron scattering techniques were implemented in the study of glassy superionic materials composed of a complex network of their interconnected sub-units: Li2O, NH4H2PO2, and Li2SO4. The use of disordered materials underlies an effort to promote Li+ mobility, while suppressing e- conductivity, which makes them good candidates for use as electrolytes in lithium ion batteries. We present triple-axis spectrometer results of energy resolved vs. energy integrated neutron scattering that indicate the presence of a broad range of dynamic processes in the materials, rather than well-defined excitations. Additionally, we report on neutron diffraction data that demonstrates the formation of crystallites within the material upon annealing up to 450 °C. Such crystallites hinder the performance of the materials as electrolytes, which is evident in thin film devices where heating is unavoidable during fabrication.

  10. Re-evaluation of the eutectic region of the LiBr-KBr-LiF system

    SciTech Connect

    Redey, L.; Guidotti, R.A.

    1996-05-01

    The separator pellet in a thermal battery consists of electrolyte immobilized by a binder (typically, MgO powder). The melting point of the electrolyte determines the effective operating window for its use in a thermal battery. The development of a two-hour thermal battery required the use of a molten salt that had a lower melting point and larger liquidus range than the LiCl-KCl eutectic which melts at 352 C. Several candidate eutectic electrolyte systems were evaluated for their suitability for this application. One was the LiCl-LiBr-KBr eutectic used at Argonne National Laboratories for high-temperature rechargeable batteries for electric-vehicle applications. Using a custom-designed high-temperature conductivity cell, the authors were able to readily determine the liquidus region for the various compositions studied around the original eutectic for the LiBr-KBr-LiF system. The actual eutectic composition was found to be 60.0 m/o LiBr-37.5 m/o KBr-2.5 m/o LiF with a melting point of 324 {+-} 0.5 C.

  11. Long-lived states of antiprotonic lithium pLi {sup +} produced in p+ Li collisions

    SciTech Connect

    Sakimoto, Kazuhiro

    2011-09-15

    Antiproton capture by lithium atoms (p+Li{yields}pLi{sup +}+e) is investigated at collision energies from 0.01 to 10 eV by using a semiclassical (also know as quantum-classical hybrid) method, in which the radial distance between the antiproton and the Li{sup +} ion is treated as a classical variable, and the other degrees of freedom are described by quantum mechanics. Analyzing the wave packet of the emitted electrons and making use of the energy conservation rule enable us to calculate the state distribution of the produced antiprotonic lithium pLi{sup +} atoms and also to distinguish between the capture and ionization ({yields}p+Li{sup +}+e) channels at collisional energies above the ionization threshold. This method is tested for the capture of negative muons by hydrogen atoms, which was rigorously investigated in previous quantum mechanical studies. Most of the pLi{sup +} atoms produced in p+Li are found to be sufficiently stable against Auger decays and are experimentally observable as long-lived states. The present system bears close similarities to the system of p+He(2S). It is therefore expected that long-lived antiprotonic helium pHe{sup +} atoms can be efficiently produced in the p capture by metastable He(2 {sup 3}S) atoms.

  12. Analyzing Powers of (^6 Li,d) Reactions and the D State of ^6Li.

    NASA Astrophysics Data System (ADS)

    Veal, K. D.; Brune, C. R.; Geist, W. H.; Karwowski, H. J.; Ludwig, E. J.; Mendez, A. J.; Kozlowska, B.; Bartosz, E. E.; Cathers, P. D.; Drummer, T. L.; Kemper, K. W.; Eiró, A. M.; Santos, F. D.; Thompson, I. J.

    1997-10-01

    One way to quantify the D-state component of a light nucleus is in terms of η, the ratio of the D and S state asymptotic normalization constants. Calculations of tensor analyzing powers of transfer reactions induced by polarized ^6Li ions show considerable sensitivity to the magnitude and sign of η(^6Li). To this end, we have made measurements of the analyzing powers A_y, A_zz, and A_xz for the 0^+ gs and the lowest 2^+ state from (^6Li,d) reactions on ^58Ni and ^40Ca at E(^6Li) = 34 MeV. We have performed DWBA calculations that are in good agreement with the cross section and Ay data. Treating η(^6Li) as the only remaining adjustable fitting parameter, we have calculated a best fit value of η(^6Li) for each of the tensor analyzing power angular distributions. Preliminary estimates showing η(^6Li) to be smaller than previous determinations(D.R. Lehman, Colloque de Physique Suppl. n 22, 51), C6-47 (1990). will be presented.

  13. Radiative Association in Li+ + H- collisions

    NASA Astrophysics Data System (ADS)

    Dickinson, A. S.; Gadéa, F. X.

    Radiative association is one of the ways of forming LiH in low density environments. Its formation in collisions of Li(2p) +H(1s) has been shown to be about five orders of magnitude faster than for Li(2s) + H(1s) [1]. We investigate LiH formation in Li+ + H- collisions, considering association on both the C and D Σ states as about 96% of the mutual neutralization is to these states at low energy [2]. A quantal description of the process [3] has been used. The potentials are from ref. [4] and the dipole moments from ref. [5]. Similar results were obtained from both the C and D states. At 1000 K the total radiative association rate coefficient from the D state is 9.2× 10-15 cm3/s, compared to 2.1 × 10-20 cm3/s in Li(2s) + H(1s) collisions [6]. British Council support is gratefully acknowledged. {[1]} Gianturco F.A., Gori Giorgi P., 1996, Phys. Rev. A 54, 4073 {[2]} Croft H., Dickinson A.S., Gadéa F. X., 1999, MNRAS 304, 327 {[3]} Babb J.F., Kirby K.P., 1998, in The Molecular Astrophysics of Stars and Galaxies, Clarendon Press, Oxford, p. 11 {[4]} Gadéa F. X., Boutalib A., 1993, J. Phys. B 26, 61 {[5]} Berriche H., Gadéa F. X., 1995, Chem. Phys. Letts. 247 85 {[6]} Stancil P. C., Dalgarno A., 1997, ApJ 479, 543

  14. NASA Goddards LiDAR, Hyperspectral and Thermal (G-LiHT) Airborne Imager

    NASA Technical Reports Server (NTRS)

    Cook, Bruce D.; Corp, Lawrence A.; Nelson, Ross F.; Middleton, Elizabeth M.; Morton, Douglas C.; McCorkel, Joel T.; Masek, Jeffrey G.; Ranson, Kenneth J.; Ly, Vuong; Montesano, Paul M.

    2013-01-01

    The combination of LiDAR and optical remotely sensed data provides unique information about ecosystem structure and function. Here, we describe the development, validation and application of a new airborne system that integrates commercial off the shelf LiDAR hyperspectral and thermal components in a compact, lightweight and portable system. Goddard's LiDAR, Hyperspectral and Thermal (G-LiHT) airborne imager is a unique system that permits simultaneous measurements of vegetation structure, foliar spectra and surface temperatures at very high spatial resolution (approximately 1 m) on a wide range of airborne platforms. The complementary nature of LiDAR, optical and thermal data provide an analytical framework for the development of new algorithms to map plant species composition, plant functional types, biodiversity, biomass and carbon stocks, and plant growth. In addition, G-LiHT data enhance our ability to validate data from existing satellite missions and support NASA Earth Science research. G-LiHT's data processing and distribution system is designed to give scientists open access to both low- and high-level data products (http://gliht.gsfc.nasa.gov), which will stimulate the community development of synergistic data fusion algorithms. G-LiHT has been used to collect more than 6,500 km2 of data for NASA-sponsored studies across a broad range of ecoregions in the USA and Mexico. In this paper, we document G-LiHT design considerations, physical specifications, instrument performance and calibration and acquisition parameters. In addition, we describe the data processing system and higher-level data products that are freely distributed under NASA's Data and Information policy.

  15. Asymptotic and near-target direct breakup of 6Li and 7Li

    NASA Astrophysics Data System (ADS)

    Kalkal, Sunil; Simpson, E. C.; Luong, D. H.; Cook, K. J.; Dasgupta, M.; Hinde, D. J.; Carter, I. P.; Jeung, D. Y.; Mohanto, G.; Palshetkar, C. S.; Prasad, E.; Rafferty, D. C.; Simenel, C.; Vo-Phuoc, K.; Williams, E.; Gasques, L. R.; Gomes, P. R. S.; Linares, R.

    2016-04-01

    Background: Li,76 and 9Be are weakly bound against breakup into their cluster constituents. Breakup location is important for determining the role of breakup in above-barrier complete fusion suppression. Recent works have pointed out that experimental observables can be used to separate near-target and asymptotic breakup. Purpose: Our purpose is to distinguish near-target and asymptotic direct breakup of Li,76 in reactions with nuclei in different mass regions. Method: Charged particle coincidence measurements are carried out with pulsed Li,76 beams on 58Ni and 64Zn targets at sub-barrier energies and compared with previous measurements using 208Pb and 209Bi targets. A detector array providing a large angular coverage is used, along with time-of-flight information to give definitive particle identification of the direct breakup fragments. Results: In interactions of 6Li with 58Ni and 64Zn, direct breakup occurs only asymptotically far away from the target. However, in interactions with 208Pb and 209Bi, near-target breakup occurs in addition to asymptotic breakup. Direct breakup of 7Li into α -t is not observed in interactions with 58Ni and 64Zn. However, near-target dominated direct breakup was observed in measurements with 208Pb and 209Bi. A modified version of the Monte Carlo classical trajectory model code platypus, which explicitly takes into account lifetimes associated with unbound states, is used to simulate sub-barrier breakup reactions. Conclusions: Near-target breakup in interactions with Li,76 is an important mechanism only for the heavy targets 208Pb and 209Bi. There is insignificant near-target direct breakup of 6Li and no direct breakup of 7Li in reactions with 58Ni and 64Zn. Therefore, direct breakup is unlikely to suppress the above-barrier fusion cross section in reactions of Li,76 with 58Ni and 64Zn nuclei.

  16. Achromatic Cooling Channel with Li Lenses

    SciTech Connect

    Balbekov, V.

    2002-04-29

    A linear cooling channel with Li lenses, solenoids, and 201 MHz RF cavities is considered. A special lattice design is used to minimize chromatic aberrations by suppression of several betatron resonances. Transverse emittance of muon beam decreases from 2 mm to 0.5 mm at the channel of about 110 m length. Longitudinal heating is modest, therefore transmission of the channel is rather high: 96% without decay and 90% with decay. Minimal beam emittance achievable by similar channel estimated as about 0.25 mm at surface field of Li lenses 10 T.

  17. The 'LiC Detector Toy' program

    NASA Astrophysics Data System (ADS)

    Regler, M.; Mitaroff, W.; Valentan, M.; Frühwirth, R.; Höfler, R.

    2008-07-01

    LiC is a simple but powerful and flexible software tool, written in MatLab, for basic detector design studies (geometries, material budgets) by determining the resolution of reconstructed track parameters. It is based on a helix track model including multiple scattering, and consists of a simplified simulation of the detector followed by track reconstruction using the Kalman filter. After a short description of LiC's main characteristics, we demonstrate its capabilities by applying this tool in a performance study of the LDC and SiD detector concepts at the International Linear Collider (ILC).

  18. Role of dopants in LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P detectors

    SciTech Connect

    Mohammadi, Kh. Moussavi Zarandi, A.; Afarideh, H.; Shahmaleki, S.

    2013-06-15

    In this study, electronic structure of LiF crystal doped with Mg,Cu,P impurities was studied with WIEN2k code on the basis of FPLAPW+lo method. Results show that in Mg-doped LiF composition, an electronic trap was created with impurity concentration of 1.56% and 3.125%. In this condition, the electronic trap with increasing the percentage of the impurities up to 4.687% is annihilated. It was found, that by doping of Mg and Cu or P simultaneously, a hole-trap is created in valence band. It was realized that in LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P, Cu impurity and Li atom, have a key role in creation of levels which lead to create electronic and hole traps. Mg impurity and F atom, only have a role in creation of electronic traps. In addition, P impurity has a main role in creation of the electronic and hole traps in LiF:Mg,Cu,P. The activation energy of electronic and hole trap in LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P crystalline lattice were obtained as 0.3 and 5.5 eV, 0.92 and 3.4 eV and 0.75 and 3.1 eV, respectively. - Graphical abstract: Figure (a) and (b) shows changes in electronic structure and band gap energy of LiF crystal due to presence of Mg and Cu, Mg and P ions respectively. - Highlights: • Electronic structure of LiF, LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P materials were studied with WIEN2K code. • In LiF:Mg,Cu and LiF:Mg,Cu,P, Li atom and Cu impurity have a key role in creation of levels. • F atom and Mg impurity only have a role in creation of electronic traps. • In LiF:Mg,Cu,P, P impurity has a main role in creation of electronic and hole traps.

  19. A novel dual-salts of LiTFSI and LiODFB in LiFePO4-based batteries for suppressing aluminum corrosion and improving cycling stability

    NASA Astrophysics Data System (ADS)

    Li, Faqiang; Gong, Yan; Jia, Guofeng; Wang, Qinglei; Peng, Zhengjun; Fan, Wei; Bai, Bing

    2015-11-01

    The strong corrosion behavior at the Al current collector restricts the application range of lithium bis (trifluoromethanesulfonylimide) (LiTFSI), despite its high stability against water and thermal. SEM, LSV and Tafel curves proved that adding LiODFB into LiTFSI-based electrolytes could suppress aluminum corrosion caused by LiTFSI-based electrolytes. The cycling stability and rate capability of LiFePO4-based batteries using LiTFSI0.6-LiODFB0.4-based electrolytes is excellent as compared to LiFePO4-based batteries using LiPF6-based electrolytes.

  20. Synthesis and characterization of LiZnP and LiZnAs semiconductor material

    NASA Astrophysics Data System (ADS)

    Montag, Benjamin W.; Reichenberger, Michael A.; Arpin, Kevin R.; Sunder, Madhana; Nelson, Kyle A.; Ugorowski, Philip B.; McGregor, Douglas S.

    2015-02-01

    Research for a reliable solid-state semiconductor neutron detector continues because such a device has not been developed, and would have greater efficiency, than present-day gas-filled 3He and 10BF3 neutron detectors. Further, a semiconductor neutron detector would be more compact and rugged than most gas-filled or scintillator neutron detectors. The 6Li(n,t)4He reaction yields a total Q value of 4.78 MeV, a larger yield than the 10B(n,α)7Li, and is easily identified above background radiation interactions. Hence, devices composed of either natural Li (naturally 7.5% 6Li) or enriched 6Li (approximately 95% 6Li) may provide a semiconductor material for compact high-efficiency neutron detectors. A sub-branch of the III-V semiconductors, the filled tetrahedral compounds, known as Nowotny-Juza compounds (AIBIICV), are desirable for their cubic crystal structure and semiconducting electrical properties. These compounds were originally studied for photonic applications. In the present work, Equimolar portions of Li, Zn, and P or As were sealed under vacuum (10-6 Torr) in quartz ampoules with a boron nitride lining, and loaded into a compounding furnace. The ampoule was heated to 200 °C to form the Li-Zn alloy, subsequently heated to 560 °C to form the ternary compound, LiZnP or LiZnAs, and finally annealed to promote crystallization. The chemical composition of the synthesized starting material was confirmed at Galbraith Laboratories, Inc. by Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES), which showed the compounds can be reacted in equal ratios, 1-1-1, to form ternary compounds. Recent additions to the procedure have produced higher yields, and greater synthesis reliability. Synthesized powders were also characterized by x-ray diffraction, where lattice constants of 5.751±.001 Å and 5.939±.002 Å for LiZnP and LiZnAs, respectively, were determined.

  1. Comment on "Cycling Li-O₂ batteries via LiOH formation and decomposition".

    PubMed

    Viswanathan, Venkatasubramanian; Pande, Vikram; Abraham, K M; Luntz, Alan C; McCloskey, Bryan D; Addison, Dan

    2016-05-06

    Based on a simple thermodynamic analysis, we show that iodide-mediated electrochemical decomposition of lithium hydroxide (LiOH) likely occurs through a different mechanism than that proposed by Liu et al (Research Article, 30 October 2015, p. 530). The mismatch in thermodynamic potentials for iodide/triiodide (I(-)/I3 (-)) redox and O2 evolution from LiOH implies a different active iodine/oxygen electrochemistry on battery charge. It is therefore possible that the system described in Liu et al may not form the basis for a rechargeable lithium-oxygen (Li-O2) battery. Copyright © 2016, American Association for the Advancement of Science.

  2. Polarization potentials for the 208Pb(7Li,6Li)209Pb transfer

    NASA Astrophysics Data System (ADS)

    Keeley, N.; Rusek, K.

    1997-12-01

    Recent optical model analyses of near-barrier 7Li+208Pb elastic scattering data found a peak in the energy dependence of WOM, the strength of the imaginary part of the optical model potential at the strong absorption radius. It was speculated that this might be due to the polarization potentials produced by couplings to the 208Pb(7Li,6Li)209Pb transfer channels. In this Brief Report we show explicitly that such couplings do indeed produce polarization potentials with the same energy dependence as that observed for the empirical optical potentials.

  3. Some optical properties of KTP, LiIO3, and LiNbO3

    NASA Technical Reports Server (NTRS)

    Gettemy, Donald J.; Harker, William C.; Lindholm, Glenn; Barnes, Norman P.

    1988-01-01

    Measurements of the absorption coefficient for KTP, LiIO3, and LiNbO3 are discussed. The variation of the refractive index with temperature has been measured for KTP and LiIO3. It is necessary to know both the absorption coefficient beta and the variation in the indexes of refraction with temperature change dn/dT to determine the average power limit of a nonlinear interaction. With the dn/dT information, it is also possible to estimate the temperature half width of any nonlinear interaction by calculating the variation of the phase-matching condition with temperature.

  4. Quantifying Li isotope fractionation during smectite formation and implications for the Li cycle

    NASA Astrophysics Data System (ADS)

    Vigier, N.; Decarreau, A.; Millot, R.; Carignan, J.; Petit, S.; France-Lanord, C.

    2008-02-01

    Tri-octahedral Li-Mg smectites (hectorites) were synthesized at temperatures ranging from 25 to 250 °C, in the presence of solutions highly enriched in lithium. After removing all the exchangeable lithium from the synthesized clays, Li isotope fractionation (Δ 7Li clay-solution) was determined. This fractionation was linked to Li incorporation into the structural octahedral site, substituting for Mg 2+. As predicted, experimental Δ 7Li clay-solution inversely correlates with temperature, and ranges from -1.6‰ ± 1.3‰ at 250 °C to -10.0‰ ± 1.3‰ at 90 °C, and then stays relatively constant down to 25 °C. The relatively constant isotope fractionation factor below 90 °C may be due to high concentrations of edge octahedra in low crystallinity smectites. The isotopic fractionation factor ( α), for a given temperature, does not depend on the solution matrix, nor on the amount of structural Li incorporated into the clay. Empirical linear laws for α as a function of 1/ T (K) were inferred. Smectite Li contents and smectite-solution distribution coefficients ( DLi/Mg) increase with temperature, as expected for a substitution process. The fractions of dissolved Li incorporated into the smectite octahedral sites are small and do not depend on the duration of the experiment. In a seawater-like matrix solution, less Li is incorporated into the smectites, probably as a result of competition with dissolved Mg 2+ ions for incorporation into the octahedral sites. The high Li contents observed in marine smectites are therefore best explained either by a significant contribution from basalts, by adsorption processes, or by the influence of seawater chemical composition on distribution coefficients. We also calculate, using present-day estimates of hydrothermal water and river fluxes, that a steady-state ocean would require a relatively large global clay-water Li isotope fractionation (-12‰ to -21‰). This study demonstrates the ability of laboratory experiments to

  5. Li Isotope Studies of Olivine in Mantle Xenoliths by SIMS

    NASA Technical Reports Server (NTRS)

    Bell, D. R.; Hervig, R. L.; Buseck, P. R.

    2005-01-01

    Variations in the ratio of the stable isotopes of Li are a potentially powerful tracer of processes in planetary and nebular environments [1]. Large differences in the 7Li/6Li ratio between the terrestrial upper mantle and various crustal materials make Li isotope composition a potentially powerful tracer of crustal recycling processes on Earth [2]. Recent SIMS studies of terrestrial mantle and Martian meteorite samples report intra-mineral Li isotope zoning [3-5]. Substantial Li isotope heterogeneity also exists within and between the components of chondritic meteorites [6,7]. Experimental studies of Li diffusion suggest the potential for rapid isotope exchange at elevated temperatures [8]. Large variations in 7Li, exceeding the range of unaltered basalts, occur in terrestrial mantle-derived xenoliths from individual localities [9]. The origins of these variations are not fully understood.

  6. Hydrogen storage in LiH: A first principle study

    NASA Astrophysics Data System (ADS)

    Banger, Suman; Nayak, Vikas; Verma, U. P.

    2014-04-01

    First principles calculations have been performed on the Lithium hydride (LiH) using the full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory. We have extended our calculations for LiH+2H and LiH+6H in NaCl structure. The structural stability of three compounds have been studied. It is found that LiH with 6 added Hydrogen atoms is most stable. The obtained results for LiH are in good agreement with reported experimental data. Electronic structures of three compounds are also studied. Out of three the energy band gap in LiH is ˜3.0 eV and LiH+2H and LiH+6H are metallic.

  7. Performance of new 10 kW class MCFC using Li/K and Li/Na electrolyte

    SciTech Connect

    Mugikura, Yoshihiro; Yoshiba, Fumihiko; Izaki, Yoshiyuki; Watanabe, Takao

    1996-12-31

    The molten carbonate fuel cell (MCFC) uses generally mixture of lithium carbonate and potassium carbonate (Li/K) as the electrolyte. NiO cathode dissolution is one of serious problems for MCFC life. The NiO cathode has been found to dissolve into the electrolyte as Ni{sup 2+} ion which is reduced to metallic Ni by H{sub 2} in the fuel gas and bridges the anode and the cathode. The bridges short circuit and degrade cell performance and shorten cell life. Since solubility of NiO in mixture of lithium carbonate and sodium carbonate (Li/Na) is lower than in Li/K, it takes longer time to take place slowing by NiO cathode dissolution in Li/Na compared with in Li/K. The ionic conductivity of Li/Na is higher than of Li/K, however, oxygen solubility in Li/Na is lower 9 than in Li/K. A new 10 kW class MCFC stack composed of Li/K cells and Li/Na cells, was tested. Basic performance of the Li/K cells and Li/Na cells of the stack was reported.

  8. Single step transformation of sulphur to Li2S2/Li2S in Li-S batteries

    NASA Astrophysics Data System (ADS)

    Helen, M.; Reddy, M. Anji; Diemant, Thomas; Golla-Schindler, Ute; Behm, R. Jürgen; Kaiser, Ute; Fichtner, Maximilian

    2015-07-01

    Lithium-sulphur batteries have generated tremendous research interest due to their high theoretical energy density and potential cost-effectiveness. The commercial realization of Li-S batteries is still hampered by reduced cycle life associated with the formation of electrolyte soluble higher-order polysulphide (Li2Sx, x = 4-8) intermediates, leading to capacity fading, self-discharge, and a multistep voltage profile. Herein, we have realized a practical approach towards a direct transformation of sulphur to Li2S2/Li2S in lithium-sulphur batteries by alteration of the reaction pathway. A coconut shell derived ultramicroporous carbon-sulphur composite cathode has been used as reaction directing template for the sulphur. The lithiation/delithiation and capacity fading mechanism of microporous carbon confined sulphur composite was revealed by analyzing the subsurface using X-ray photoelectron spectroscopy. No higher-order polysulphides were detected in the electrolyte, on the surface, and in the subsurface of the cathode composite. The altered reaction pathway is reflected by a single-step profile in the discharge/charge of a lithium-sulphur cell.

  9. Single step transformation of sulphur to Li2S2/Li2S in Li-S batteries

    PubMed Central

    Helen, M.; Reddy, M. Anji; Diemant, Thomas; Golla-Schindler, Ute; Behm, R. Jürgen; Kaiser, Ute; Fichtner, Maximilian

    2015-01-01

    Lithium-sulphur batteries have generated tremendous research interest due to their high theoretical energy density and potential cost-effectiveness. The commercial realization of Li-S batteries is still hampered by reduced cycle life associated with the formation of electrolyte soluble higher-order polysulphide (Li2Sx, x = 4–8) intermediates, leading to capacity fading, self-discharge, and a multistep voltage profile. Herein, we have realized a practical approach towards a direct transformation of sulphur to Li2S2/Li2S in lithium-sulphur batteries by alteration of the reaction pathway. A coconut shell derived ultramicroporous carbon-sulphur composite cathode has been used as reaction directing template for the sulphur. The lithiation/delithiation and capacity fading mechanism of microporous carbon confined sulphur composite was revealed by analyzing the subsurface using X-ray photoelectron spectroscopy. No higher-order polysulphides were detected in the electrolyte, on the surface, and in the subsurface of the cathode composite. The altered reaction pathway is reflected by a single-step profile in the discharge/charge of a lithium-sulphur cell. PMID:26173723

  10. Chemical stability enhancement of lithium conducting solid electrolyte plates using sputtered LiPON thin film

    NASA Technical Reports Server (NTRS)

    West, W. C.; Whitacre, J. F.; Lim, J. R.

    2004-01-01

    Sputter deposition of LiPON films directly onto high Li+ conductivity solid electrolyte plates has been investigated as a means to minimize the reactivity of the plates to metallic Li. The LiPON films were shown to effectively passivate the plates in contact with metallic Li, in contrast to unpassivated plates that reacted immediately in contact with Li metal.

  11. LiDAR utility for natural resource managers

    Treesearch

    Andrew Thomas Hudak; Jeffrey Scott Evans; Alistair Mattthew Stuart. Smith

    2009-01-01

    Applications of LiDAR remote sensing are exploding, while moving from the research to the operational realm. Increasingly, natural resource managers are recognizing the tremendous utility of LiDAR-derived information to make improved decisions. This review provides a cross-section of studies, many recent, that demonstrate the relevance of LiDAR across a suite of...

  12. A new species of the leafhopper genus Multiformis Li & Li (Hemiptera: Cicadellidae: Evacanthinae) from China.

    PubMed

    Li, Yu-Jian; Li, Zi-Zhong

    2014-01-24

    The species of the Oriental leafhopper genus Multiformis Li & Li are reviewed. A new species, Multiformis ramosus sp. nov., from Yunnan Province, China is described and a key to all known species of Multiformis is provided.

  13. Comparative Studies of Optical and Scintillation Properties between LiGaO2 and LiAlO2 Crystals

    NASA Astrophysics Data System (ADS)

    Yanagida, Takayuki; Fujimoto, Yutaka; Koshimizu, Masanori; Kawano, Naoki; Okada, Go; Kawaguchi, Noriaki

    2017-09-01

    We have investigated optical and scintillation properties of LiGaO2 and LiAlO2 crystals. From the transmittance spectra, the absorption edges were found to be around 200 nm but wider band gap was confirmed for LiAlO2 than LiGaO2. Both photoluminescence and scintillation spectra showed a broad emission band peaking at 340 nm in the both crystals. The scintillation decay times of LiGaO2 were 460 ns and 2.8 µs while that of LiAlO2 was 2 µs. Under neutron irradiation from 252Cf, the absolute scintillation light yields of LiGaO2 and LiAlO2 were 3300 ± 300 and 7200 ± 700 ph/n, respectively.

  14. Li-ion diffusion in Li4Ti5O12 and LiTi2O4 battery materials detected by muon spin spectroscopy

    NASA Astrophysics Data System (ADS)

    Sugiyama, Jun; Nozaki, Hiroshi; Umegaki, Izumi; Mukai, Kazuhiko; Miwa, Kazutoshi; Shiraki, Susumu; Hitosugi, Taro; Suter, Andreas; Prokscha, Thomas; Salman, Zaher; Lord, James S.; Mânsson, Martin

    2015-07-01

    Lithium diffusion in spinel Li4Ti5O12 and LiTi2O4 compounds for future battery applications has been studied with muon spin relaxation (μ+SR ) . Measurements were performed on both thin-film and powder samples in the temperature range between 25 and 500 K. For Li4Ti5O12 and above about ˜200 K , the field distribution width (Δ ) is found to decrease gradually, while the field fluctuation rate (ν ) increases exponentially with temperature. For LiTi2O4 , on the contrary, the Δ (T ) curve shows a steplike decrease at ˜350 K , around which the ν (T ) curve exhibits a local maximum. These behaviors suggest that Li+ starts to diffuse above around 200 K for both spinels. Assuming a jump diffusion of Li+ at the tetrahedral 8 a site to the vacant octahedral 16 c site, diffusion coefficients of Li+ at 300 K in the film samples are estimated as (3.2 ±0.8 ) ×10-11 cm2/s for Li4Ti5O12 and (3.6 ±1.1 ) ×10-11 cm2/s for LiTi2O4 . Further, some small differences are found in both thermal activation energies and Li-ion diffusion coefficients between the powder and thin-film samples.

  15. Soft X-Ray Irradiation Effects of Li2O2, Li2CO3 and Li2O Revealed by Absorption Spectroscopy

    PubMed Central

    Qiao, Ruimin; Chuang, Yi-De; Yan, Shishen; Yang, Wanli

    2012-01-01

    Li2O2, Li2CO3, and Li2O are three critical compounds in lithium-air and lithium-ion energy storage systems. Extensive measurements have been carried out to study the chemical species and their evolutions at difference stages of the device operation. While x-ray spectroscopy has been demonstrated to be one of the most powerful tools for such purpose, no systematic study on the irradiation effects have been reported. Here we carry out extensive time, position, and irradiation dependent Li K-edge soft x-ray absorption spectroscopy on these compounds with so far the best energy resolution. The ultra-high resolution in the current study allows the features in the absorption spectra to be well-resolved. The spectral lineshape thus serves as the fingerprints of these compounds, enabling the tracking of their evolution under x-ray irradiation. We found that both Li2O2 and Li2CO3 evidently evolve towards Li2O under the soft x-ray irradiation with Li2CO3 exhibiting a surprisingly higher sensitivity to x-rays than Li2O2. On the other hand, Li2O remains the most stable compound despite experiencing substantial irradiation dose. We thus conclude that high resolution soft x-ray spectroscopy could unambiguously fingerprint different chemical species, but special cautions on irradiation effects would be needed in performing the experiments and interpreting the data properly. PMID:23145116

  16. Raman scattering efficiency in LiTaO3 and LiNbO3 crystals

    NASA Astrophysics Data System (ADS)

    Sanna, S.; Neufeld, S.; Rüsing, M.; Berth, G.; Zrenner, A.; Schmidt, W. G.

    2015-06-01

    LiTaO3 and LiNbO3 crystals are investigated here in a combined experimental and theoretical study that uses Raman spectroscopy in a complete set of scattering geometries and corresponding density-functional theory calculations to provide microscopic information on their vibrational properties. The Raman scattering efficiency is computed from first principles in order to univocally assign the measured Raman peaks to the calculated eigenvectors. Measured and calculated Raman spectra are shown to be in qualitative agreement and confirm the mode assignment by Margueron et al. [J. Appl. Phys. 111, 104105 (2012), 10.1063/1.4716001], thus finally settling a long debate. While the two crystals show rather similar vibrational properties overall, the E-TO9 mode is markedly different in the two oxides. The deviations are explained by a different anion-cation bond type in LiTaO3 and LiNbO3 crystals.

  17. Growth and scintillation properties of Eu doped LiSrI3/LiI eutectics

    NASA Astrophysics Data System (ADS)

    Kamada, Kei; Chiba, Hiroyuki; Yoshino, Masao; Yamaji, Akihiro; Shoji, Yasuhiro; Kurosawa, Shunsuke; Yokota, Yuui; Ohashi, Yuji; Yoshikawa, Akira

    2017-06-01

    Eu doped LiSrI3/LiI eutectics were grown by the Bridgman method in a quartz ample with 4 mm inner diameter. and their directionally solidified eutectic system has been investigated. Growth rate was 0.3 mm/min. The eutectic showed well aligned eutectic structure and optically transparent. Grown Eu doped LiSrI3/LiI eutectic shows 400 nm emission ascribed to Eu2+ 4f-5d transition under X-ray excitation. The light yield was around 26,000 photon/MeV for 662 keV gamma-ray and 35,000 photons for 5.5 MeV alpha-ray.

  18. Enabling High Energy Density Li-Ion Batteries through Li{sub 2}O Activation.

    SciTech Connect

    Abouimrane, Ali; Cui, Yanjie; Chen, Zonghai; Belharouak, Ilias; Yahia, Hamdi B.; Wu, Huiming; Assary, Rajeev; Curtiss, Larry A.; Amine, Khalil

    2016-09-01

    Lithium oxide (Li2O) is activated in the presence of a layered composite cathode material (HEM) significantly increasing the energy density of lithium-ion batteries. The degree of activation depends on the current rate, electrolyte salt, and anode type. In full-cell tests, the Li2O was used as a lithium source to counter the first-cycle irreversibility of high-capacity composite alloy anodes. When Li2O is mixed with HEM to serve as a cathode, the electrochemical performance was improved in a full cell having an SiO-SnCoC composite as an anode. The mechanism behind the Li2O activation could also explain the first charge plateau and the abnormal high capacity associated with these high energy cathode materials.

  19. Distorted-wave Born approximation study of the 11Li(p,t)9Li reaction

    NASA Astrophysics Data System (ADS)

    Cowley, A. A.

    2016-06-01

    The reaction 11Li(p,t)9Li(gs) at an incident energy of 4 MeV is treated in terms of a simplistic distorted-wave Born approximation transfer. The halo neutrons involved in the reaction are treated as a di-neutron cluster transferred in a simultaneous process. This appears to be a good approximation of the mechanism. The dominant contribution to the reaction comes from the known (1s 1/2)2 structure component of the ground state of 11Li, and the cross section angular distribution seems to be relatively insensitive to the fact that 11 Li has an anomalously large radius due to its Borromean halo properties. Significantly this simple treatment of the reaction is in much better agreement with the experimental angular distribution than a more sophisticated calculation.

  20. LiF/CaF2/LiBaF3 ternary fluoride eutectic scintillator

    NASA Astrophysics Data System (ADS)

    Hishinuma, Kosuke; Kamada, Kei; Kurosawa, Shunsuke; Yamaji, Akihiro; Pejchal, Jan; Yokota, Yuui; Ohashi, Yuji; Yoshikawa, Akira

    2015-04-01

    LiF/CaF2/LiBaF3 ternary eutectic scintillators were grown by the µ-PD method. In the solidified eutectic the phases were uniformly distributed in the transverse direction and aligned along the growth direction. For the Eu-doped samples, the expected emission peak observed at 425 nm was ascribed to Eu2+ 5d-4f transition from Eu:CaF2 under X-ray excitation. The LiF/CaF2/LiBaF3 ternary eutectic scintillators showed a light yield around 7,000 photons/neutron and decay time of 260 ns (73.6%) and 50 ns (26.4%).

  1. Probing the failure mechanism of nanoscale LiFePO₄ for Li-ion batteries

    SciTech Connect

    Gu, Meng; Shi, Wei; Zheng, Jianming; Yan, Pengfei; Zhang, Ji-guang; Wang, Chongmin

    2015-05-18

    LiFePO4 is a high power rate cathode material for lithium ion battery and shows remarkable capacity retention, featuring a 91% capacity retention after 3300 cycles. In this work, we use high-resolution transmission electron microscopy (HRTEM), energy dispersive x-ray spectroscopy (EDS), and electron energy loss spectroscopy (EELS) to study the gradual capacity fading mechanism of LiFePO4 materials. We found that upon prolonged electrochemical cycling of the battery, the LiFePO4 cathode shows surface amorphization and loss of oxygen species, which directly contribute to the gradual capacity fading of the battery. The finding is of great importance for the design and improvement of new LiFePO4 cathode for high-energy and high-power rechargeable battery for electric transportation.

  2. Electrochemical formation of Mg-Li-Ca alloys by codeposition of Mg, Li and Ca from LiCl-KCl-MgCl2-CaCl2 melts.

    PubMed

    Yan, Yong De; Zhang, Mi Lin; Xue, Yun; Han, Wei; Cao, Dian Xue; Jing, Xiao Yan; He, Li Yi; Yuan, Yi

    2009-08-07

    This work presents electrochemical formation of Mg-Li-Ca alloys via codeposition of Mg, Li and Ca on a molybdenum electrode in KCl-LiCl-MgCl(2)-CaCl(2) melts at 943 K. Cyclic voltammograms (CVs) showed that the underpotential deposition (UPD) of calcium on pre-deposited magnesium leads to the formation of a liquid Mg-Ca alloy, and the succeeding underpotential deposition of lithium on pre-deposited Mg-Ca alloy leads to the formation of a liquid Mg-Li-Ca solution. Chronopotentiometric measurements indicated that the codepositon of Mg, Li and Ca occurs at current densities more negative than -0.31 A cm(-2) in LiCl-KCl-MgCl(2) (5 wt%) melts containing 1 wt% CaCl(2). Chronoamperograms demonstrated that the onset potential for the codeposition of Mg, Li and Ca is -2.200 V, and the codeposition of Mg, Li and Ca is formed when the applied potentials are more negative than -2.200 V. X-Ray diffraction (XRD) indicated that Mg-Li-Ca alloys with different phases were formed via galvanostatic electrolysis. The microstructures of typical alpha and beta phases of Mg-Li-Ca alloys were characterized by optical microscope (OM) and scanning electron microscopy (SEM). The analysis of energy dispersive spectrometry (EDS) showed that the element Ca mainly distributes along grain boundary in Mg-Li-Ca alloys. The results of inductively coupled plasma analysis determined that the chemical compositions of Mg-Li-Ca alloys correspond with the phase structures of XRD patterns, and the lithium and calcium contents of Mg-Li-Ca alloys depend on the concentrations of MgCl(2) and CaCl(2).

  3. Genetics Home Reference: Li-Fraumeni syndrome

    MedlinePlus

    ... Sarcoma family syndrome of Li and Fraumeni Sarcoma, breast, leukemia, and adrenal gland (SBLA) syndrome SBLA syndrome Related Information How are genetic conditions and genes named? Additional Information & ... Topic: Bone Cancer Health Topic: Breast Cancer Health Topic: Cancer Health Topic: Soft Tissue ...

  4. LiYbCl4(THF)4

    PubMed Central

    Richtera, Lukas; Jancik, Vojtech; Hermanova, Sona; Krpoun, Karel; Thompson-Montero, Kimberly

    2011-01-01

    The title compound, di-μ-chlorido-dichlorido-1κ2 Cl-tetra­kis­(tetra­hydro­furan)-1κ2 O,2κ2 O-lithiumytterbium(III), [LiYbCl4(C4H8O)4], was prepared by the reaction of YbCl3(THF)3 with LiCl in THF (THF is tetra­hydro­furan). The central motif of the structure is a Yb(μ-Cl)2Li ring. The Yb atom is hexa­coordinated to four Cl atoms and two THF mol­ecules oriented in a trans fashion. The Li atom has a tetra­hedral environment and is coordinated to two Cl atoms and two THF mol­ecules. No inter­molecular inter­actions other than van der Waals forces were observed. Two of the THF mol­ecules are disordered over two positions. PMID:21754604

  5. 6Li foil thermal neutron detector

    SciTech Connect

    Ianakiev, Kiril D; Swinhoe, Martyn T; Favalli, Andrea; Chung, Kiwhan; Macarthur, Duncan W

    2010-01-01

    In this paper we report on the design of a multilayer thermal neutron detector based on {sup 6}Li reactive foil and thin film plastic scintillators. The {sup 6}Li foils have about twice the intrinsic efficiency of {sup 10}B films and about four times higher light output due to a unique combination of high energy of reaction particles, low self absorption, and low ionization density of tritons. The design configuration provides for double sided readout of the lithium foil resulting in a doubling of the efficiency relative to a classical reactive film detector and generating a pulse height distribution with a valley between neutron and gamma signals similar to {sup 3}He tubes. The tens of microns thickness of plastic scintillator limits the energy deposited by gamma rays, which provides the necessary neutron/gamma discrimination. We used MCNPX to model a multilayer Li foil detector design and compared it with the standard HLNCC-II (18 {sup 3}He tubes operated at 4 atm). The preliminary results of the {sup 6}Li configuration show higher efficiency and one third of the die-away time. These properties, combined with the very short dead time of the plastic scintillator, offer the potential of a very high performance detector.

  6. Synthesis of Li excess LiFePO4/C using iron chloride extracted from steel scrap pickling

    NASA Astrophysics Data System (ADS)

    Yoon, Man-Soon; Islam, Mobinul; Park, Young Min; Hoon, Song Jung; Son, Jong-Tae; Ur, Soon-Chul

    2014-07-01

    Olivine-type Li rich Li1+xFePO4/C composites are synthesized by a solid state reaction process using premilled Li2CO3 and pre-synthesized amorphous FePO4· xH2O powders. The amorphous FePO4· xH2O powders are prepared from an industrial waste liquid (by-product), a FeCl3 (38%) solution, via a precipitation process. In addition, lithium carbonate is pre-milled using a high energy nano mill to control particle sizes and shape differences for enhancing the reaction activity in the starting materials. The main purpose of this study is to investigate the effect of excess Li on the electrochemical properties of LiFePO4 cathode materials. The pre-synthesized FePO4 powders are mixed with pre-milled lithium carbonate and glucose (8 wt%) using a ball-mill process. The structural characteristics of the Li1+xFePO4/C composites are examined by XRD and SEM. To investigate the effect of excess Li content on the electrochemical properties in Li1+xFePO4/C composites, a Li[LiPF6 (Ethylene carbonate + Dimethyl carbonate)] Li1+xFePO4/C model cell is used. It is demonstrated that the 1% Li rich Li/[Li1.01FePO4/C] cell exhibits the best electrochemical performance and delivers an initial discharge capacity of 161 mAhg-1, which is 25 mAhg-1 higher than that of the Li/[LiFePO4/C] cell.

  7. On the reduction of generalized polylogarithms to Li n and Li2 ,2 and on the evaluation thereof

    NASA Astrophysics Data System (ADS)

    Frellesvig, Hjalte; Tommasini, Damiano; Wever, Christopher

    2016-03-01

    We give expressions for all generalized polylogarithms up to weight four in terms of the functions log, Li n , and Li2,2, valid for arbitrary complex variables. Furthermore we provide algorithms for manipulation and numerical evaluation of Li n and Li2,2, and add codes in Mathematica and C++ implementing the results. With these results we calculate a number of previously unknown integrals, which we add in appendix C.

  8. Pt and Pd catalyzed oxidation of Li2O2 and DMSO during Li-O2 battery charging.

    PubMed

    Gittleson, Forrest S; Ryu, Won-Hee; Schwab, Mark; Tong, Xiao; Taylor, André D

    2016-05-05

    Rechargeable Li-O2 and Li-air batteries require electrode and electrolyte materials that synergistically promote long-term cell operation. In this study, we investigate the role of noble metals Pt and Pd as catalysts in the Li-O2 oxidation process and their compatibility with dimethyl sulfoxide (DMSO) based electrolytes. We identify a basis for low potential Li2O2 evolution followed by oxidative decomposition of the electrolyte to form carbonate side products.

  9. Lithium concentration and Li isotopic compositions of carbonatitic complexes

    NASA Astrophysics Data System (ADS)

    Halama, R.; McDonough, W. F.; Rudnick, R. L.; Ash, R. D.; Keller, J.; Klaudius, J.; Trumbull, R.

    2005-12-01

    To evaluate the Li isotopic signatures of the mantle sources of carbonatites and the influence of magmatic differentiation and post-magmatic processes on δ7Li, we determined the Li concentrations and isotopic compositions of carbonatites and spatially associated silicate rocks, spanning a wide range in composition and age. Natrocarbonatites from Oldoinyo Lengai (1995 and 2000 eruptions) have high Li concentrations (211-292 ppm) and uniform Li isotopic signatures (δ7Li = +4.4 to +5.1 per mil). Associated silicate rocks (melilitite, nephelinite and phonolite) have lower Li concentrations (16-47 ppm) and trend towards lighter Li isotopic values (δ7Li = 0 to +3.5 per mil). Clinopyroxenes from these lavas are significantly lighter than the whole rocks by 1 to 6 per mil. Since the lavas appear to be fresh, this suggests fractionation of Li isotopes between minerals and whole rocks. In comparison to the modern natrocarbonatites, Proterozoic calciocarbonatites from Greenland (Grønnedal-Ika) and Cretaceous calciocarbonatites from Namibia (Kalkfeld) are poor in Li (< 2 ppm) and have more scattered Li isotopic compositions (δ7Li = -1 to +4 and -0.5 to +5 per mil, respectively). The lower δ7Li values may reflect contamination by crustal Li, since the low Li contents in the carbonatites make them susceptible to this. Silicate lavas from Kalkfeld have higher Li concentrations (11-12 ppm) than their associated carbonatites, but overlapping isotopic compositions (δ7Li = +4 to +6 per mil). At Grønnedal-Ika, clinopyroxene separates from nepheline syenites vary considerably in δ7Li from -6 to +5. Since Li is preferentially partitioned into fenitizing fluids [1] and an enrichment of light 6Li in fluids during degassing can be anticipated [2], the trend towards negative δ7Li can be interpreted as a result of variable interaction with metasomatizing fluids. However, fractionation of Li isotopes between minerals and melts may also have played a role. Our preliminary data

  10. Phase relationships in positive electrodes of high temperature Li-Al/LiCl-KCl/FeS2 cells

    NASA Astrophysics Data System (ADS)

    Tomczuk, Z.; Tani, B.; Otto, N. C.; Roche, M. F.; Vissers, D. R.

    1982-05-01

    The phases present in FeS2 electrodes operated in LiCl-KCl eutectic electrolyte are determined by X-ray diffraction and metallographic examination. The phases are FeS2, KFeS2, Li3Fe2S4, Li2.33Fe0.67S2, Fe/1-x/S, Li2FeS2, LiK6Fe24S26Cl, Li2S, and Fe. The metallographic and crystallographic characteristics of these phases are given. The sequence of Li-Fe-S phases in the FeS2 electrode is found to be in accord with the sequence predicted from the equilibrium LiFe-S phase diagram. It is noted that two of the Li-Fe-S phases found at room temperature (Li2.33Fe0.67S2 and Li2FeS2) result from decomposition on cooling of a solid solution phase: Li/2+x/Fe/1-x/S2, x ranging from 0 to 0.33.

  11. Li diffusion and substitution in chemically diverse synthetic zircon

    NASA Astrophysics Data System (ADS)

    Trail, D.

    2015-12-01

    Li concentrations and 7Li/6Li ratios in zircon may potentially trace crustal recycling because continental and mantle-derived zircons yield distinct values (Ushikubo et al. 2008; Bouvier et al. 2012). To some extent, the usefulness of these differences may depend upon the retentively of Li in zircon. Cherniak and Watson (2010) measured relatively high diffusivities for Li; here we sought to discover the scenarios under which Li mobility might be inhibited by charge compensating cations. We conducted "in" diffusion experiments in synthetic Lu-doped (~5000 ppm), P-doped (~250 ppm), and nearly pure zircon following the procedure in Cherniak and Watson (2010). In separate experiments, Li was ion implanted at depth within polished Mud Tank zircon slabs to form a Gaussian Li concentration profile; the relaxed concentration profile was measured after heating the zircon slabs. In all experiments, which ranged from 920 to 650 oC, calculated diffusivities were in agreement with a previously established Arrhenius relationship calibrated on trace element poor Mud Tank zircon (Cherniak and Watson, 2010). We also conducted complementary LA-ICP-MS mapping on the surfaces of P- and Lu-doped synthetic zircon crystals after the Li diffusion results were obtained. This revealed heterogeneous though patterned correlation between Li+Lu in the near surface of the crystal (no strong patterns emerged for P+Li). And finally, we observed that synthetic sector-zoned zircon exhibits near step function Li concentration profiles - correlating with changes in the rare earth element concentrations across these sectors - which allowed us to examine Li diffusion in yet another manner. Re-heating these grains followed by LA-ICP-MS analysis revealed significant Li migration, with no detectable migration of the rare earth elements. While our experiments cannot be considered exhaustive, we have yet to find a scenario where Li mobility in synthetic zircon depends on charge compensating cations.

  12. Capturing and Processing Soil GHG Fluxes Using the LI-COR LI-8100A

    NASA Astrophysics Data System (ADS)

    Xu, Liukang; McDermitt, Dayle; Hupp, Jason; Johnson, Mark; Madsen, Rod

    2015-04-01

    The LI-COR LI-8100A Automated Soil CO2 Flux System is designed to measure soil CO2 efflux using automated chambers and a non-steady state measurement protocol. While CO2 is an important gas in many contexts, it is not the only gas of interest for many research applications. With some simple plumbing modifications, many third party analyzers capable of measuring other trace gases, e.g. N2O, CH4, or 13CO2 etc., can be interfaced with the LI-8100A System, and LI-COR's data processing software (SoilFluxPro™) can be used to compute fluxes for these additional gases. In this paper we describe considerations for selecting an appropriate third party analyzer to interface with the system, how to integrate data into the system, and the procedure used to compute fluxes of additional gases in SoilFluxPro™. A case study is presented to demonstrate methane flux measurements using an Ultra-Portable Greenhouse Gas Analyzer (Ultra-Portable GGA, model 915-0011), manufactured by Los Gatos Research and integrated into the LI-8100A System. Laboratory and field test results show that the soil CO2 efflux based on the time series of CO2 data measured either with the LI-8100A System or with the Ultra-Portable GGA are essentially the same. This suggests that soil GHG fluxes measured with both systems are reliable.

  13. Correlation of anisotropy and directional conduction in β-Li3PS4 fast Li+ conductor

    DOE PAGES

    Chen, Yan; Cai, Lu; Liu, Zengcai; ...

    2015-07-06

    Our letter reports the correlation of anisotropy and directional conduction in the fast Li+ conductor β-Li3PS4, one of the low-symmetry crystalline electrolyte candidates. The material has both high conductivity and good stability that serves well for the large-scale energy storage applications of all-solid-state lithium ion batteries. The anisotropic physical properties, demonstrated here by the thermal expansion coefficients, are crucial for compatibility in the solid-state system and battery performance. Neutron and X-ray powder diffraction measurements were done to determine the crystal structure and thermal stability. Moreover, the crystallographic b-axis was revealed as a fast expansion direction, while negligible thermal expansion wasmore » observed along the a-axis around the battery operating temperatures. The anisotropic behavior has its structural origin from the Li+ conduction channels with incomplete Li occupancy and a flexible connection of LiS4 and PS4 tetrahedra within the framework. This indicates a strong correlation in the direction of the ionic transport in the low-symmetry Li+ conductor.« less

  14. In-house fabrication and testing capabilities for Li and Li-ion 18650 cells

    NASA Astrophysics Data System (ADS)

    Nagasubramanian, G.

    2010-04-01

    For over 10 years Sandia Labs have been involved in an US DOE-funded program aimed at developing electric vehicle batteries for transportation applications. Currently this program is called "Advanced Battery Research (ABR)." In this effort we were preparing 18650 cells with electrodes supplied by or purchased from private companies for thermal abuse and electrical characterization studies. Lately, we are coating our own electrodes, building cells and evaluating performance. This paper describes our extensive in-house facilities for slurry making, electrode coating, cell winding etc. In addition, facilities for electrical testing and thermal abuse will be described. This facility allows us to readjust our focus quickly to the changing demands of the still evolving ABR program. Additionally, we continue to make cells for our internal use. We made several 18650 cells both primary (Li-CFx) and secondary (Li-ion) and evaluated performance. For example Li-CFx cells gave ~2.9Ahr capacity at room temperature. Our high voltage Li-ion cells consisting of carbon anode and cathode based on LiNi 0.4Mn 0.3Co 0.3O2 in organic electrolytes exhibited reproducible behavior and gave capacity on the order of 1Ahr. Performance of Li-ion cells at different temperatures and thermal abuse characteristics will be presented.

  15. Epitaxial thin film growth of LiH using a liquid-Li atomic template

    SciTech Connect

    Oguchi, Hiroyuki; Ikeshoji, Tamio; Orimo, Shin-ichi; Ohsawa, Takeo; Shiraki, Susumu; Hitosugi, Taro; Kuwano, Hiroki

    2014-11-24

    We report on the synthesis of lithium hydride (LiH) epitaxial thin films through the hydrogenation of a Li melt, forming abrupt LiH/MgO interface. Experimental and first-principles molecular dynamics studies reveal a comprehensive microscopic picture of the crystallization processes, which sheds light on the fundamental atomistic growth processes that have remained unknown in the vapor-liquid-solid method. We found that the periodic structure that formed, because of the liquid-Li atoms at the film/MgO-substrate interface, serves as an atomic template for the epitaxial growth of LiH crystals. In contrast, films grown on the Al{sub 2}O{sub 3} substrates indicated polycrystalline films with a LiAlO{sub 2} secondary phase. These results and the proposed growth process provide insights into the preparation of other alkaline metal hydride thin films on oxides. Further, our investigations open the way to explore fundamental physics and chemistry of metal hydrides including possible phenomena that emerge at the heterointerfaces of metal hydrides.

  16. Making Li-air batteries rechargeable: material challenges

    SciTech Connect

    Shao, Yuyan; Ding, Fei; Xiao, Jie; Zhang, Jian; Xu, Wu; Park, Seh Kyu; Zhang, Jiguang; Wang, Yong; Liu, Jun

    2013-02-25

    A Li-air battery could potentially provide three to five times higher energy density/specific energy than conventional batteries, thus enable the driving range of an electric vehicle comparable to a gasoline vehicle. However, making Li-air batteries rechargeable presents significant challenges, mostly related with materials. Herein, we discuss the key factors that influence the rechargeability of Li-air batteries with a focus on nonaqueous system. The status and materials challenges for nonaqueous rechargeable Li-air batteries are reviewed. These include electrolytes, cathode (electocatalysts), lithium metal anodes, and oxygen-selective membranes (oxygen supply from air). The perspective of rechargeable Li-air batteries is provided.

  17. A New Insight into the Polaron-Li Complex Diffusion in Cathode Material LiFe1-yMnyPO4 for Li Ion Batteries

    NASA Astrophysics Data System (ADS)

    Dinh, Van An; Nara, Jun; Ohno, Takahisa

    2012-04-01

    Based on the Heyd-Scuseria-Ernzerhof hybrid density functionals study, we proposed a new insight into the diffusion of polaron-Li vacancy complexes in LiFe1-yMnyPO4 (y=0,1/2,1). It is found that the polaron migrates along a crossing or a parallel path relative to the Li moving direction. In LiFePO4, the complex diffusion along the zigzag pathway is favorable and has a barrier of 600 meV, while the diffusion along the parallel pathway with a barrier of 623 meV is favorable in LiMnPO4. For LiFe1/2Mn1/2PO4, since the polaron is formed within a single Fe layer, the diffusion proceeds along the parallel pathway with a barrier of 635 meV.

  18. Electronic structures of filled tetrahedral semiconductors LiMgN and LiZnN: conduction band distortion

    NASA Astrophysics Data System (ADS)

    Yu, L. H.; Yao, K. L.; Liu, Z. L.

    2004-12-01

    The band structures of the filled tetrahedral semiconductors LiMgN and LiZnN, viewed as the zinc-blende (MgN) - and (ZnN) - lattices partially filled with He-like Li + ion interstitials, were studied using the full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The conduction band distortions of LiMgN and LiZnN, compared to their “parent” zinc-blende analog AlN and GaN, are discussed. It was found that the insertion of Li + ions at the interstitial sites near the cation or anion pushes the conduction band minimum of the X point in the Brillouin zone upward, relative to that of the Γ point, for both (MgN) - and (ZnN) - lattices (the valence band maximum is at Γ for AlN, GaN, LiMgN, and LiZnN), which provides a method to convert a zinc-blende indirect gap semiconductor into a direct gap material, but the conduction band distortion of the β phase (Li + near the cation) is quite stronger than that of the α phase (Li + near the anion). The total energy calculations show the α phase to be more stable than the β phase for both LiMgN and LiZnN. The Li-N and Mg-N bonds exhibit a strong ionic character, whereas the Zn-N bond has a strong covalent character in LiMgN and LiZnN.

  19. Concentration dependence of Li+/Na+ diffusion in manganese hexacyanoferrates

    NASA Astrophysics Data System (ADS)

    Takachi, Masamitsu; Fukuzumi, Yuya; Moritomo, Yutaka

    2016-06-01

    Manganese hexacyanoferrates (Mn-HCFs) with a jungle-gym-type structure are promising cathode materials for Li+/Na+ secondary batteries (LIBs/SIBs). Here, we investigated the diffusion constants D Li/D Na of Li+/Na+ against the Li+/Na+ concentration x Na/x Li and temperature (T) of A 1.32Mn[Fe(CN)6]0.833.6H2O (A = Li and Na). We evaluated the activation energy E\\text{a}\\text{Li}/E\\text{a}\\text{Na} of D Li/D Na against x Na/x Li. We found that E\\text{a}\\text{Na} steeply increases with x Na from 0.41 eV at x Na = 0.69 to 0.7 eV at 1.1. The increase in E\\text{a}\\text{Na} is ascribed to the occupancy effect of the Na+ site. The increase in E\\text{a}\\text{Li} is suppressed, probably because the number of Li+ sites is three times that of Na+ sites.

  20. Amorphous Li2 O2 : Chemical Synthesis and Electrochemical Properties.

    PubMed

    Zhang, Yelong; Cui, Qinghua; Zhang, Xinmin; McKee, William C; Xu, Ye; Ling, Shigang; Li, Hong; Zhong, Guiming; Yang, Yong; Peng, Zhangquan

    2016-08-26

    When aprotic Li-O2 batteries discharge, the product phase formed in the cathode often contains two different morphologies, that is, crystalline and amorphous Li2 O2 . The morphology of Li2 O2 impacts strongly on the electrochemical performance of Li-O2 cells in terms of energy efficiency and rate capability. Crystalline Li2 O2 is readily available and its properties have been studied in depth for Li-O2 batteries. However, little is known about the amorphous Li2 O2 because of its rarity in high purity. Herein, amorphous Li2 O2 has been synthesized by a rapid reaction of tetramethylammonium superoxide and LiClO4 in solution, and its amorphous nature has been confirmed by a range of techniques. Compared with its crystalline siblings, amorphous Li2 O2 demonstrates enhanced charge-transport properties and increased electro-oxidation kinetics, manifesting itself a desirable discharge phase for high-performance Li-O2 batteries. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Revision of the Li13Si4 structure

    PubMed Central

    Zeilinger, Michael; Fässler, Thomas F.

    2013-01-01

    Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li–Si system is the phase Li13Si4 (trideca­lithium tetra­silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10–13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si–Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si–Si dumbbells at z = 0.5. PMID:24454148

  2. Synthesis and optical characterization of LiKB4O7, Li2B6O10, and LiCsB6O10 glasses

    SciTech Connect

    Adamiv, V.; Teslyuk, I.; Dyachok, Ya.; Romanyuk, G.; Krupych, O.; Mys, O.; Martynyuk-Lototska, I.; Burak, Ya.; Vlokh, R.

    2010-10-01

    In the current work we report on the synthesis of LiKB4O7, Li2B6O10, and LiCsB6O10 borate glasses. The results for their piezo-optic, acousto-optic, acoustic, elastic, refractive, optical transmission, and optical resistance properties are also presented. It is shown that some of these glasses represent efficient acousto-optic materials that are transparent down to the vacuum ultraviolet range and highly resistant to laser radiation.

  3. Synthesis and optical characterization of LiKB4O7, Li2B6O10, and LiCsB6O10 glasses.

    PubMed

    Adamiv, V; Teslyuk, I; Dyachok, Ya; Romanyuk, G; Krupych, O; Mys, O; Martynyuk-Lototska, I; Burak, Ya; Vlokh, R

    2010-10-01

    In the current work we report on the synthesis of LiKB(4)O(7), Li(2)B(6)O(10), and LiCsB(6)O(10) borate glasses. The results for their piezo-optic, acousto-optic, acoustic, elastic, refractive, optical transmission, and optical resistance properties are also presented. It is shown that some of these glasses represent efficient acousto-optic materials that are transparent down to the vacuum ultraviolet range and highly resistant to laser radiation.

  4. Ab-initio studies on Li doping, Li-pairs, and complexes between Li and intrinsic defects in ZnO

    NASA Astrophysics Data System (ADS)

    Vidya, R.; Ravindran, P.; Fjellvâg, H.

    2012-06-01

    First-principles density functional calculations have been performed on Li-doped ZnO using all-electron projector augmented plane wave method. Li was considered at six different interstitial sites (Lii), including anti-bonding and bond-center sites and also in substitutional sites such as at Zn-site (Lizn) and at oxygen site (Lio) in the ZnO matrix. Stability of LiZn over Lii is shown to depend on synthetic condition, viz., LiZn is found to be more stable than Lii under O-rich conditions. Hybrid density functional calculations performed on LiZn indicate that it is a deep acceptor with (0/-) transition taking place at 0.74 eV above valence band maximum. The local vibrational frequencies for Li-dopants are calculated and compared with reported values. In addition, we considered the formation of Li-pair complexes and their role on electronic properties of ZnO. Present study suggests that at extreme oxygen-rich synthesis condition, a pair of acceptor type LiZn-complex is found to be stable over the compensating Lii + LiZn pair. The stability of complexes formed between Li impurities and various intrinsic defects is also investigated and their role on electronic properties of ZnO has been analyzed. We have shown that a complex between LiZn and oxygen vacancy has less formation energy and donor-type character and could compensate the holes generated by Li-doping in ZnO.

  5. Exploring Half Metals in Li-based Half Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Busemeyer, B.; Shaughnessy, M.; Fong, C. Y.

    2011-11-01

    We examine the electronic and magnetic properties of three Li-related half Heusler alloys, namely LiMnN, LiMnP, and LiMnSi in a structure close to the well-known zinc-blende structure in the attempt to search for new half metallic materials. If they do demonstrate half metallic properties, this will open new grounds for finding half metallic spintronic materials. Our results will furnish guidelines for future exploration of alkali-related half metals. Using the primitive cell LiMnSi is a half metal, while the pnictides are not. However when the conventional cell is used, we find that Li3Mn4P4 and Li3Mn4N4 are half metals. The physical reason for these two pnictides to be half metallic and for their magnetic moment per unit cell will be presented.

  6. Nanoscale coating of LiMO2 (M = Ni, Co, Mn) nanobelts with Li+-conductive Li2TiO3: toward better rate capabilities for Li-ion batteries.

    PubMed

    Lu, Jun; Peng, Qing; Wang, Weiyang; Nan, Caiyun; Li, Lihong; Li, Yadong

    2013-02-06

    By using a novel coating approach based on the reaction between MC(2)O(4)·xH(2)O and Ti(OC(4)H(9))(4), a series of nanoscale Li(2)TiO(3)-coated LiMO(2) nanobelts with varied Ni, Co, and Mn contents was prepared for the first time. The complete, thin Li(2)TiO(3) coating layer strongly adheres to the host material and has a 3D diffusion path for Li(+) ions. It is doped with Ni(2+) and Co(3+) ions in addition to Ti(4+) in LiMO(2), both of which were found to favor Li(+)-ion transfer at the interface. As a result, the coated nanobelts show improved rate, cycling, and thermal capabilities when used as the cathode for Li-ion battery.

  7. Investigation of structural, mechanical, electronic, optical, and dynamical properties of cubic BaLiF3, BaLiH3, and SrLiH3

    NASA Astrophysics Data System (ADS)

    Yalcin, Battal G.; Salmankurt, Bahadır; Duman, Sıtkı

    2016-03-01

    The structural, mechanical, electronic, optical, and dynamical properties of BaLiF3, BaLiH3, and SrLiH3 cubic perovskite materials are theoretically investigated by using first principles calculations. Obtained results are in reasonable agreement with other available theoretical and experimental studies. The considered materials are found to be mechanically stable in the cubic structure. We found that all materials are brittle. The modified Becke-Johnson (mBJ) exchange potential has been used here to obtain an accurate band order. The calculated band-gap energy value of BaLiF3 (8.26 eV) within the mBJ potential agrees very well with the experimentally reported value of 8.41 eV. In order to have a deeper understanding of the bonding mechanism and the effect of atomic relaxation on the electronic band structure, the total and partial density of states have also been calculated. We have investigated the fundamental optical properties, such as the real ɛ 1(ω) and imaginary ɛ 2(ω) parts of the dielectric function, absorption coefficient α(ω), reflectivity R(ω), and refractive index n(ω) in the energy range from 0 to 40 eV within the mBJ potential. The band-gap energy obtained from the absorption spectrum is around 8.76, 3.99, and 3.31 eV for BaLiF3, BaLiH3, and SrLiH3 crystals, respectively. It should be noted that BaLiF3 could be a strong potential candidate as a laser material for the development of a vacuum-ultraviolet light emitting diode once direct transition is confirmed by experimental studies. Finally, we have calculated the lattice dynamical properties of BaLiF3, BaLiH3, SrLiH3, and SrLiF3 crystals. The full phonon dispersion curves of these materials are reported for the first time. Our results clearly indicate that the materials are dynamically stable, except for SrLiF3, in the cubic structure. The obtained zone-center phonon frequencies of BaLiF3, BaLiH3, and SrLiH3 accord very well with previous experimental measurements.

  8. Motion of Li(+) in nanoengineered LiBH(4) and LiBH(4):Al(2)O(3) comparison with the microcrystalline form.

    PubMed

    Epp, Viktor; Wilkening, Martin

    2013-11-11

    The introduction of structural disorder and large volume fractions of different kinds of interfaces enables the manipulation of ion dynamics in solids. Variable-temperature solid-state NMR relaxometry is highly useful to study Li(+) jump processes. If carried out as a function of frequency, the resulting NMR relaxation rates also contain information on the dimensionality (1D, 2D, or 3D) of the diffusion process. Recently, NMR relaxometry has revealed the 2D nature of Li hopping in LiBH4 , and thus this hydride is an interesting ion conductor for further diffusion studies on the spatially confined motion of Li spins. Here, nanocrystalline LiBH4 and the two-phase analogue LiBH4 :Al2 O3 , which are prepared by ball milling, serve as interesting model systems to track the changes in NMR relaxation rates with respect to coarse-grained, thermodynamically stable LiBH4 . This reveals that interface (nano)engineering influences the hexagonal-to-orthorhombic phase transition and thus alters the ion-transport properties of Li in one- and two-phase LiBH4 towards higher diffusivities at lower temperatures. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Solution-processable glass LiI-Li4SnS4 superionic conductors for all-solid-state Li-ion batteries

    DOE PAGES

    Kern Ho Park; Oh, Dae Yang; Choi, Young Eun; ...

    2015-12-22

    The new, highly conductive (4.1 × 10–4 S cm–1 at 30 °C), highly deformable, and dry-air-stable glass 0.4LiI-0.6Li4SnS4 is prepared using a homogeneous methanol solution. Furthermore, the solution process enables the wetting of any exposed surface of the active materials with highly conductive solidified electrolytes (0.4LiI-0.6Li4SnS4), resulting in considerable improvements in electrochemical performances of these electrodes over conventional mixture electrodes.

  10. Synthesis, crystal structure, and TEM analysis of Sr19Li44 and Sr3Li2: a reinvestigation of the Sr-Li phase diagram.

    PubMed

    Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt

    2015-02-02

    Two intermetallic phases in the Sr-Li system have been synthesized and structurally characterized. According to single-crystal X-ray diffraction data, Sr(19)Li(44) and Sr(3)Li(2) crystallize with tetragonal unit cells (Sr(19)Li(44), I-42d, a = 15.9122(7) Å, c = 31.831(2) Å, Z = 4, V = 8059(2) Å(3); Sr(3)Li(2), P42/mnm, a = 9.803(1) Å, c = 8.784(2) Å, Z = 4, V = 844.2(2) Å(3)). The first compound is isostructural with the recently discovered Ba(19)Li(44). Sr in Sr(19)Li(44) can be fully replaced by Ba with no changes to the crystal structure, whereas the substitution of Sr by Ca is only possible within a limited concentration range. Sr(3)Li(2) can be assigned to the Al(2)Zr(3) structure type. The crystal structure determination of Sr(19)Li(44) was complicated by multiple twinning. As an experimental highlight, an electron microscopy investigation of the highly moisture- and electron-beam-sensitive crystals was performed, enabling high-resolution imaging of the defect structure.

  11. Mass of {sup 11}Li from the {sup 1}H({sup 11}Li,{sup 9}Li){sup 3}H reaction

    SciTech Connect

    Roger, T.; Savajols, H.; Mittig, W.; Caamano, M.; Roussel-Chomaz, P.; Tanihata, I.; Alcorta, M.; Bandyopadhyay, D.; Bieri, R.; Buchmann, L.; Davids, B.; Galinski, N.; Howell, D.; Mills, W.; Mythili, S.; Openshaw, R.; Padilla-Rodal, E.; Ruprecht, G.; Sheffer, G.; Shotter, A. C.

    2009-03-15

    The mass of {sup 11}Li has been determined from Q-value measurements of the {sup 1}H({sup 11}Li,{sup 9}Li){sup 3}H reaction. The experiment was performed at TRIUMF laboratory with the GANIL active target MAYA. Energy-energy and angle-angle kinematics reconstruction give a Q value of 8.119(22) MeV for the reaction. The derived {sup 11}Li two-neutron separation energy is S{sub 2n}=363(22) keV.

  12. Thermal Stability of LiPF6 Salt and Li-ion Battery Electrolytes Containing LiPF6

    SciTech Connect

    Yang, Hui; Zhuang, Guorong V; Ross, Jr, Philip N

    2006-03-08

    The thermal stability of the neat LiPF6 salt and of 1 molal solutions of LiPF6 in prototypical Li-ion battery solvents was studied with thermogravimetric analysis (TGA) and on-line FTIR. Pure LiPF6 salt is thermally stable up to 380 K in a dry inert atmosphere, and its decomposition path is a simple dissociation producing LiF as solid and PF5 as gaseous products. In the presence of water (300 ppm) in the carrier gas, its decomposition onset temperature is lowered as a result of direct thermal reaction between LiPF6 and water vapor to form POF3 and HF. No new products were observed in 1 molal solutions of LiPF6 in EC, DMC and EMC by on-line TGA-FTIR analysis. The storage of the same solutions in sealed containers at 358 K for 300 420 hrs. did not produce any significant quantity of new products as well. In particular, noalkylflurophosphates were found in the solutions after storage at elevated temperature. In the absence of either an impurity like alcohol or cathode active material that may (or may not) act as a catalyst, there is no evidence of thermally induced reaction between LiPF6 and the prototypical Li-ion battery solvents EC, PC, DMC or EMC.

  13. G-LiHT: Goddard's LiDAR, Hyperspectral and Thermal Airborne Imager

    NASA Technical Reports Server (NTRS)

    Cook, Bruce; Corp, Lawrence; Nelson, Ross; Morton, Douglas; Ranson, Kenneth J.; Masek, Jeffrey; Middleton, Elizabeth

    2012-01-01

    Scientists at NASA's Goddard Space Flight Center have developed an ultra-portable, low-cost, multi-sensor remote sensing system for studying the form and function of terrestrial ecosystems. G-LiHT integrates two LIDARs, a 905 nanometer single beam profiler and 1550 nm scanner, with a narrowband (1.5 nanometers) VNIR imaging spectrometer and a broadband (8-14 micrometers) thermal imager. The small footprint (approximately 12 centimeters) LIDAR data and approximately 1 meter ground resolution imagery are advantageous for high resolution applications such as the delineation of canopy crowns, characterization of canopy gaps, and the identification of sparse, low-stature vegetation, which is difficult to detect from space-based instruments and large-footprint LiDAR. The hyperspectral and thermal imagery can be used to characterize species composition, variations in biophysical variables (e.g., photosynthetic pigments), surface temperature, and responses to environmental stressors (e.g., heat, moisture loss). Additionally, the combination of LIDAR optical, and thermal data from G-LiHT is being used to assess forest health by sensing differences in foliage density, photosynthetic pigments, and transpiration. Low operating costs (approximately $1 ha) have allowed us to evaluate seasonal differences in LiDAR, passive optical and thermal data, which provides insight into year-round observations from space. Canopy characteristics and tree allometry (e.g., crown height:width, canopy:ground reflectance) derived from G-LiHT data are being used to generate realistic scenes for radiative transfer models, which in turn are being used to improve instrument design and ensure continuity between LiDAR instruments. G-LiHT has been installed and tested in aircraft with fuselage viewports and in a custom wing-mounted pod that allows G-LiHT to be flown on any Cessna 206, a common aircraft in use throughout the world. G-LiHT is currently being used for forest biomass and growth estimation

  14. Riverine Li isotope fractionation in small mountainous rivers of Taiwan

    NASA Astrophysics Data System (ADS)

    Huang, K. F.; Liu, Y. H.; Wang, R. M.; Chung, C. H.; You, C. F.

    2016-12-01

    Riverine lithium (Li) and its isotopes became of increasing interest over the last decade due to its great potential as a tracer for silicate weathering processes and carbon cycle. However, little is known about the main controls on the riverine Li isotope fractionation in tropical small mountainous rivers (SMRs). Here we condcut the first deatiled study of the Li isotopic composition (δ7Li) of river-borne dissolved and solid materials in the SMRs around Taiwan to characterize behaviors of riverine Li and δ7Li in different geomorrphic setting and at wet/dry seasons. Riverine Li and δ7Li range from 0.15 to 6.37 μM with δ7Li of +8.6 to +18.2 ‰ at the wet season, and 0.23 to 18.8 μM with δ7Li of +8.2 to +20.3 ‰ at the dry season. Of special interest is that high dissolved δ7Li values are observed at the wet season and the downstream of the river catchments. By combining the multiple isotope systems and river chemistry, our results suggest that in the high-relief and tectonically active terrain, the high δ7Li values at the wet season are most likely controlled by more intense chemcical weathering, particularly by the greater extent of uptake of 6Li into secondary minierals during weathering. Seasonal variations in the dissolved loads and riverine δ7Li are also found and can be attributed to a greater contribution from carbonate weathering at the wet season, highlighting a different response of primary mineral dissolution/secondary mineral formation to climatic forcing in the SMRs of Taiwan.

  15. Preparation of Li-rich layered-layered type xLi2MnO3·(1-x)LiMnO2 nanorods and its electrochemical performance as cathode material for Li-ion battery

    NASA Astrophysics Data System (ADS)

    Yang, Fan; Zhang, Qinggang; Hu, Xiaohong; Peng, Tianyou; Liu, Jianqiang

    2017-06-01

    Layered-layered type xLi2MnO3·(1-x)LiMnO2 (x = 0.91, 0.78, 0.67, 0.54, 0.42, and 0.32) nanorods with a diameter of 100-200 nm and length of 400-1000 nm are prepared through a pyrolysis reduction process of monoclinic Li2MnO3 (m-Li2MnO3) nanorods. All the synthesized xLi2MnO3·(1-x)LiMnO2 nanorods exhibit the main characteristic diffraction peaks of m-Li2MnO3 in addition to some weak peaks attributable to m-LiMnO2 especially for those composites with x < 0.67. When used as cathode material of Li-ion battery, those xLi2MnO3·(1-x)LiMnO2 nanorods show an initial charge/discharge profile similar to the Li-rich solid solution in the voltage window of 2.0-4.8 V. The m-LiMnO2 portion in those synthesized composites can significantly enhance the reversible capacity but lower the cyclic stability, while the m-Li2MnO3 portion can improve the cyclic stability due to its retardation effect of the layered-to-spinel transformation during the charge/discharge processes, and thus xLi2MnO3·(1-x)LiMnO2 nanorods with x = 0.54 exhibits the best cyclic and rate performance since it contains appropriate m-Li2MnO3/m-LiMnO2 contents to balance the reversible capacity and Jahn-Teller effect. The present findings demonstrate an effective strategy for the development of low-cost pure Mn-based Li-rich layered cathode materials with adjustable reversible capacity, cyclic and rate performance by tailoring the composition.

  16. Enhanced Performance of Li|LiFePO4 Cells Using CsPF6 as an Electrolyte Additive

    SciTech Connect

    Xiao, Liang; Chen, Xilin; Cao, Ruiguo; Qian, Jiangfeng; Xiang, Hongfa; Zheng, Jianming; Zhang, Jiguang; Xu, Wu

    2015-10-20

    The practical application of lithium (Li) metal anode in rechargeable Li batteries is hindered by both the growth of Li dendrites and the low Coulombic efficiency (CE) during repeated charge/discharge cycles. Recently, we have discovered that CsPF6 as an electrolyte additive can significantly suppress Li dendrite growth and lead to highly compacted and well aligned Li nanorod structure during Li deposition on copper substrates. In this paper, the effect of CsPF6 additive on the performance of rechargeable Li metal batteries with lithium iron phosphate (LFP) cathode was further studied. Li|LFP coin cells with CsPF6 additive in electrolytes show well protected Li anode surface, decreased resistance, enhanced rate capability and extended cycling stability. In Li|LFP cells, the electrolyte with CsPF6 additive shows excellent long-term cycling stability (at least 500 cycles) at a charge current density of 0.5 mA cm-2 without internal short circuit. At high charge current densities, the effect of CsPF6 additive becomes less significant. Future work needs to be done to protect Li metal anode, especially at high charge current densities and for long cycle life.

  17. Enhancement of electrochemical behavior of nanostructured LiFePO4/Carbon cathode material with excess Li

    NASA Astrophysics Data System (ADS)

    Bazzi, K.; Nazri, M.; Naik, V. M.; Garg, V. K.; Oliveira, A. C.; Vaishnava, P. P.; Nazri, G. A.; Naik, R.

    2016-02-01

    We have synthesized carbon coated LiFePO4 (C-LiFePO4) and C-Li1.05FePO4 with 5 mol% excess Li via sol-gel method using oleic acid as a source of carbon for enhancing electronic conductivity and reducing the average particle size. Although the phase purity of the crystalline samples was confirmed by x-ray diffraction (XRD), the 57Fe Mössbauer spectroscopy analyses show the presence of ferric impurity phases in both stoichiometric and non-stoichiometric C-LiFePO4 samples. Transmission electron microscopy measurements show nanosized C-LiFePO4 particles uniformly covered with carbon, with average particle size reduced from ∼100 nm to ∼50 nm when excess lithium is used. Electrochemical measurements indicate a lower charge transfer resistance and better electrochemical performance for C-Li1.05FePO4 compared to that of C-LiFePO4. The aim of this work is to systematically analyze the nature of impurities formed during synthesis of LiFePO4 cathode material, and their impact on electrochemical performance. The correlation between the morphology, charge transfer resistance, diffusion coefficient and electrochemical performance of C-LiFePO4 and C- Li1.05FePO4 cathode materials are discussed.

  18. Enhanced performance of Li|LiFePO4 cells using CsPF6 as an electrolyte additive

    NASA Astrophysics Data System (ADS)

    Xiao, Liang; Chen, Xilin; Cao, Ruiguo; Qian, Jiangfeng; Xiang, Hongfa; Zheng, Jianming; Zhang, Ji-Guang; Xu, Wu

    2015-10-01

    The practical application of lithium (Li) metal anode in rechargeable Li batteries is hindered by both the growth of Li dendrites and the low Coulombic efficiency (CE) during repeated charge/discharge cycles. Recently, we have discovered that CsPF6 as an electrolyte additive can significantly suppress Li dendrite growth and lead to highly compacted and well aligned Li nanorod structures during Li deposition on copper substrates. In this paper, the effect of CsPF6 additive on the performance of rechargeable Li metal batteries with lithium iron phosphate (LFP) cathode is further studied. Li|LFP coin cells with CsPF6 additive in electrolytes show well protected Li anode surface, decreased resistance, enhanced rate capability and extended cycling stability. In Li|LFP cells, the electrolyte with CsPF6 additive shows excellent long-term cycling stability (at least 500 cycles) at a charge current density of 0.5 mA cm-2 without internal short circuit. At high charge current densities, the effect of CsPF6 additive becomes less significant. Future work needs to be done to protect Li metal anode, especially at high charge current densities and for long cycle life.

  19. Data mining of molecular dynamics data reveals Li diffusion characteristics in garnet Li7La3Zr2O12

    NASA Astrophysics Data System (ADS)

    Chen, Chi; Lu, Ziheng; Ciucci, Francesco

    2017-01-01

    Understanding Li diffusion in solid conductors is essential for the next generation Li batteries. Here we show that density-based clustering of the trajectories computed using molecular dynamics simulations helps elucidate the Li diffusion mechanism within the Li7La3Zr2O12 (LLZO) crystal lattice. This unsupervised learning method recognizes lattice sites, is able to give the site type, and can identify Li hopping events. Results show that, while the cubic LLZO has a much higher hopping rate compared to its tetragonal counterpart, most of the Li hops in the cubic LLZO do not contribute to the diffusivity due to the dominance of back-and-forth type jumps. The hopping analysis and local Li configuration statistics give evidence that Li diffusivity in cubic LLZO is limited by the low vacancy concentration. The hopping statistics also shows uncorrelated Poisson-like diffusion for Li in the cubic LLZO, and correlated diffusion for Li in the tetragonal LLZO in the temporal scale. Further analysis of the spatio-temporal correlation using site-to-site mutual information confirms the weak site dependence of Li diffusion in the cubic LLZO as the origin for the uncorrelated diffusion. This work puts forward a perspective on combining machine learning and information theory to interpret results of molecular dynamics simulations.

  20. Data mining of molecular dynamics data reveals Li diffusion characteristics in garnet Li7La3Zr2O12.

    PubMed

    Chen, Chi; Lu, Ziheng; Ciucci, Francesco

    2017-01-17

    Understanding Li diffusion in solid conductors is essential for the next generation Li batteries. Here we show that density-based clustering of the trajectories computed using molecular dynamics simulations helps elucidate the Li diffusion mechanism within the Li7La3Zr2O12 (LLZO) crystal lattice. This unsupervised learning method recognizes lattice sites, is able to give the site type, and can identify Li hopping events. Results show that, while the cubic LLZO has a much higher hopping rate compared to its tetragonal counterpart, most of the Li hops in the cubic LLZO do not contribute to the diffusivity due to the dominance of back-and-forth type jumps. The hopping analysis and local Li configuration statistics give evidence that Li diffusivity in cubic LLZO is limited by the low vacancy concentration. The hopping statistics also shows uncorrelated Poisson-like diffusion for Li in the cubic LLZO, and correlated diffusion for Li in the tetragonal LLZO in the temporal scale. Further analysis of the spatio-temporal correlation using site-to-site mutual information confirms the weak site dependence of Li diffusion in the cubic LLZO as the origin for the uncorrelated diffusion. This work puts forward a perspective on combining machine learning and information theory to interpret results of molecular dynamics simulations.

  1. Data mining of molecular dynamics data reveals Li diffusion characteristics in garnet Li7La3Zr2O12

    PubMed Central

    Chen, Chi; Lu, Ziheng; Ciucci, Francesco

    2017-01-01

    Understanding Li diffusion in solid conductors is essential for the next generation Li batteries. Here we show that density-based clustering of the trajectories computed using molecular dynamics simulations helps elucidate the Li diffusion mechanism within the Li7La3Zr2O12 (LLZO) crystal lattice. This unsupervised learning method recognizes lattice sites, is able to give the site type, and can identify Li hopping events. Results show that, while the cubic LLZO has a much higher hopping rate compared to its tetragonal counterpart, most of the Li hops in the cubic LLZO do not contribute to the diffusivity due to the dominance of back-and-forth type jumps. The hopping analysis and local Li configuration statistics give evidence that Li diffusivity in cubic LLZO is limited by the low vacancy concentration. The hopping statistics also shows uncorrelated Poisson-like diffusion for Li in the cubic LLZO, and correlated diffusion for Li in the tetragonal LLZO in the temporal scale. Further analysis of the spatio-temporal correlation using site-to-site mutual information confirms the weak site dependence of Li diffusion in the cubic LLZO as the origin for the uncorrelated diffusion. This work puts forward a perspective on combining machine learning and information theory to interpret results of molecular dynamics simulations. PMID:28094317

  2. Li-Metal-Free Prelithiation of Si-Based Negative Electrodes for Full Li-Ion Batteries.

    PubMed

    Zhou, Haitao; Wang, Xuehang; Chen, De

    2015-08-24

    Most of the high-capacity positive-electrode materials [for example, S, O2 (air), and MOx (M: V, Mn, Fe, etc.)] are Li-deficient and require the use of a Li-metal electrode or prelithiation. Herein, we report a novel electrolytic cell in which the Si electrode can be prelithiated in a well-controlled manner from Li-containing aqueous solution in a Li-metal-free way. MnOx/Si and S/Si Li-ion full cells were assembled by using the prelithiated Si negative electrodes, which resulted in high specific energies of 349 and 732 Wh kg(-1), respectively. The MnOx/Si full cell still retains 138 Wh kg(-1) even at a high specific power of 1710 W kg(-1). This is the first report of a whole process of making a full Li-ion battery with both Li-deficient electrodes without the use of Li metal as the Li source. This novel prelithiation process, with high controllability, no short circuiting, and an abundant Li source, is expected to contribute significantly to the development of safe, green, and powerful Li-ion batteries. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Li interactions with the B40 fullerene and its application in Li-ion batteries: DFT studies

    NASA Astrophysics Data System (ADS)

    Moradi, Morteza; Bagheri, Zargham; Bodaghi, Ali

    2017-05-01

    The interaction of Li and Li+ with a B40 all-boron fullerene was theoretically investigated at the B3LYP, and Minnesota 2006 levels of theory. It was found that, unexpectedly, the interaction Li+ cation with the electron deficient B40 fullerene is stronger than the Li atom. It indicates that the B40 fullerene does not act as a conventional Lewis acid because of its highly correlated structure. Frontier molecular orbitals, partial density of states, and natural bond orbital analyses were used to discuss this unusual behavior. Our calculations indicate that this behavior makes the B40 fullerene more appropriate for application in the Li-ion batteries as anode material. The calculated cell voltage is about 530 mV. Also, it was found that Hartree Fock (HF) exchange percentage of density functionals has a reverse effect on the adsorption energies of Li and Li+. This energy is increased and decreased, respectively, for Li+ and Li adsorptions by increasing %HF exchange. Finally, a potential energy surface for Li and Li+ penetration into B40 fullerene was predicted.

  4. Synthesis and characterization of Carbon Nano Fiber/LiFePO 4 composites for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Bhuvaneswari, M. S.; Bramnik, N. N.; Ensling, D.; Ehrenberg, H.; Jaegermann, W.

    Carbon Nano Fibers (CNFs) coated with LiFePO 4 particles have been prepared by a non-aqueous sol-gel technique. The functionalization of the CNFs by HNO 3 acid treatment has been confirmed by Raman and XPS analyses. The samples pure LiFePO 4 and LiFePO 4-CNF have been characterized by XRD, SEM, RAMAN, XPS and electrochemical analysis. The LiFePO 4-CNF sample shows better electrochemical performance compared to as-prepared LiFePO 4. LiFePO 4-CNF (10 wt.%) delivers a higher specific capacity (∼140 mAh g -1) than LiFePO 4 with carbon black (25 wt.%) added after synthesis (∼120 mAh g -1) at 0.1C.

  5. Influence of surface modification of LiCoO2 by organic compounds on electrochemical and thermal properties of Li/LiCoO2 rechargeable cells

    NASA Astrophysics Data System (ADS)

    Takeuchi, Takashi; Kyuna, Tomohiro; Morimoto, Hideyuki; Tobishima, Shin-ichi

    2011-03-01

    LiCoO2 is the most famous positive electrode (cathode) for lithium ion cells. When LiCoO2 is charged at high charge voltages far from 4.2 V, cycleability of LiCoO2 becomes worse. Causes for this deterioration are instability of pure LiCoO2 crystalline structure and an oxidation of electrolyte solutions LiCoO2 at higher charge voltages. This electrolyte oxidation accompanies with the partial reduction of LiCoO2. We think more important factor is the oxidation of electrolyte solutions. In this work, influence of 10 organic compounds on electrochemical and thermal properties of LiCoO2 cells was examined as electrolyte additives. As a base electrolyte solution, 1 M (M: mol L-1) LiPF6-ethylene carbonate (EC)/ethylmethyl carbonate (EMC) (mixing volume ratio = 3:7) was used. These compounds are o-terphenyl (o-TP), Ph-X (CH3)n (n = 1 or 2, X = N, O or S) compounds, adamantyl toluene compounds, furans and thiophenes. These additives had the oxidation potentials (Eox) between 3.4 and 4.7 V vs. Li/Li+. These Eox values were lower than that (6.30 V vs. Li/Li+) of the base electrolyte. These additives are oxidized on LiCoO2 during charge of the LiCoO2 cells. Oxidation products suppress the excess oxidation of electrolyte solutions on LiCoO2. As a typical example of these organic compounds, o-TP (Eox: 4.52 V) was used to check the fundamental properties of these organic additives. Charge-discharge cycling tests were carried out for the Li/LiCoO2 cells with and without o-TP. Constant current charge at 4.5 V is mainly used as a charge method. Cells with 0.1 wt.% o-TP exhibited slightly better cycling performance and lower polarization than those without additives. Lower polarization arises from a decrease in a resistance of interface between electrolyte solutions and LiCoO2 by surface film formation resulted from oxidation of o-TP. Oxidation products were found by mass spectroscopy analysis to be mixture of several polycondensation compounds made from two to four terphenly

  6. Comparative study of EC/DMC LiTFSI and LiPF 6 electrolytes for electrochemical storage

    NASA Astrophysics Data System (ADS)

    Dahbi, Mouad; Ghamouss, Fouad; Tran-Van, François; Lemordant, Daniel; Anouti, Mérièm

    Lithium bis(trifluoromethane sulfonyl) imide (LiTFSI) salt are potentially a good alternative to LiPF 6 since it could both improve the chemical and thermal stability as salt for electrolyte. This work presents a systematic comparative study between LiPF 6 and LiTFSI in a mixture of EC/DMC on the basis of some of their physicochemical properties. Transport properties (viscosity and conductivity) are compared at various temperatures from -20 to 80 °C. Using Walden rule, we have demonstrated that LiTFSI 1 M in EC/DMC is more ionic than LiPF 6 1 M in the same binary solvent. Moreover, the electrochemical storage properties of an activated carbon electrode were investigated in EC/DMC mixture containing LiTFSI or LiPF 6. The specific capacitance C s of activated carbon was determined from the Galvanostatic charge-discharge curve between 2 and 3.7 V, at low current densities. The capacitance values were found to be 100 and 90 F g -1 respectively for LiTFSI and LiPF 6 electrolytes at 2 mA g -1. On the basis of the physicochemical and electrochemical measurements, we have correlated the improvement of the specific capacitance with activated carbon to the increase of the ionicity of the LiTFSI salt in EC/DMC binary system. The drawback concerning the corrosion of aluminium collectors was resolved by adding a few percentage of LiPF 6 (1%) in the binary electrolyte. Finally, we have studied the electrochemical behavior of intercalation-deintercalation of lithium in the graphite electrode with EC/DMC + LiTFSI as electrolyte. Results of this study indicate that the realization of asymmetric graphite/activated carbon supercapacitors with LiFTSI based electrolyte is possible.

  7. High current LiSOCl2 batteries

    NASA Astrophysics Data System (ADS)

    Debiccari, Daniel J.

    The paper describes cell construction, performance, and safety aspects of two high-rate active Li/SOCl2 batteries designed to operate at current densities as high as 26 mA/sq cm in pulse modes of 20 millisec to several minutes. Both cell designs employ a flat-plate arrangement of electrodes, a cyanoacrylate-coated anode, a bonded carbon/copper cathode, and a 1.6 M electrolyte. The major differences of the two designs are the size of the cell and the method of anode attachment. The two batteries were shown to provide over 10 times the mission life of the Ni-Cd batteries; thus, they will eliminate the logistic problems associated with the recharge requirements of the latter. In addition, a replacement of the Ni-Cd battery types with lighter Li-thionyl chloride batteries will significantly reduce battery weight and increase its capacity.

  8. Composite Solid Electrolyte Containing Li+- Conducting Fibers

    NASA Technical Reports Server (NTRS)

    Appleby, A. John; Wang, Chunsheng; Zhang, Xiangwu

    2006-01-01

    Improved composite solid polymer electrolytes (CSPEs) are being developed for use in lithium-ion power cells. The matrix components of these composites, like those of some prior CSPEs, are high-molecular-weight dielectric polymers [generally based on polyethylene oxide (PEO)]. The filler components of these composites are continuous, highly-Li(+)-conductive, inorganic fibers. PEO-based polymers alone would be suitable for use as solid electrolytes, were it not for the fact that their room-temperature Li(+)-ion conductivities lie in the range between 10(exp -6) and 10(exp -8) S/cm, too low for practical applications. In a prior approach to formulating a CSPE, one utilizes nonconductive nanoscale inorganic filler particles to increase the interfacial stability of the conductive phase. The filler particles also trap some electrolyte impurities. The achievable increase in conductivity is limited by the nonconductive nature of the filler particles.

  9. Metastable structure of Li13Si4

    NASA Astrophysics Data System (ADS)

    Gruber, Thomas; Bahmann, Silvia; Kortus, Jens

    2016-04-01

    The Li13Si4 phase is one out of several crystalline lithium silicide phases, which is a potential electrode material for lithium ion batteries and contains a high theoretical specific capacity. By means of ab initio methods like density functional theory (DFT) many properties such as heat capacity or heat of formation can be calculated. These properties are based on the calculation of phonon frequencies, which contain information about the thermodynamical stability. The current unit cell of "Li13Si4" given in the ICSD database is unstable with respect to DFT calculations. We propose a modified unit cell that is stable in the calculations. The evolutionary algorithm EVO found a structure very similar to the ICSD one with both of them containing metastable lithium positions. Molecular dynamic simulations show a phase transition between both structures where these metastable lithium atoms move. This phase transition is achieved by a very fast one-dimensional lithium diffusion and stabilizes this phase.

  10. Li + ion diffusion in nanoscale alumina coatings

    NASA Astrophysics Data System (ADS)

    Johannes, Michelle; Bernstein, Noam

    Nanoscale coatings of alumina are used to stabilize surfaces for a variety of technologies. Diffusion of ions through these coatings is of primary importance: in some cases, diffusion is unwanted (e.g. corrosion) and in others (e.g. electrode materials), it is necessary. In this work DFT and AIMD calculations are used to investigate Li+ ion diffusion through a nano-layer of alumina, examining the phase (alpha, gamma, and amorphous), ion concentration, and electron count dependence. We look at the role of the surface itself in promoting diffusion. One of our main findings is that as the number of ions or charge increases, the diffusivity rises. We show how our data can explain electrochemical data from coated LiCoO2 cathodes and may point toward better and more efficient coatings for stabilizing electrodes.

  11. LiHo(PO3)4

    PubMed Central

    Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar

    2009-01-01

    Lithium holmium(III) polyphosphate(V), LiHo(PO3)4, belongs to the type I of polyphosphates with general formula ALn(PO3)4, where A is a monovalent cation and Ln is a trivalent rare earth cation. In the crystal structure, the polyphosphate chains spread along the b-axis direction, with a repeat period of four tetra­hedra and 21 inter­nal symmetry. The Li and Ho atoms are both located on twofold rotation axes and are surrounded by four and eight O atoms, leading to a distorted tetra­hedral and dodeca­hedral coordination, respectively. The HoO8 polyhedra are isolated from each other, the closest Ho⋯Ho distance being 5.570 (1) Å. PMID:21581738

  12. Li, B and N in ancient materials

    NASA Astrophysics Data System (ADS)

    Fink, D.

    1983-12-01

    The content of B and Li is examined in several ancient and, for comparison, in modern objects for techological and household use (glasses, coins, nails, needles, bells, shells, bones, pitch, minerals). For most samples the B content is proportional to the Li content, the proportionality factor ranging from 1 to 6. The data scatteringroups of examined species are given. It is known that the N content of bones decreases with age due to decomposition of organic materials. This is confirmed, and simultaneously an enrichment of B was observed for ancient bones, probably due to salt transport from the surrounding soil into the bones. Coins frequently show a nitrogen enriched layer on their surfaces due to corrosion. B surface contaminations are sometimes observed for glasses and mother-of-pearl.

  13. Li7La3Zr2O12 Interface Modification for Li Dendrite Prevention.

    PubMed

    Tsai, Chih-Long; Roddatis, Vladimir; Chandran, C Vinod; Ma, Qianli; Uhlenbruck, Sven; Bram, Martin; Heitjans, Paul; Guillon, Olivier

    2016-04-27

    Al-contaminated Ta-substituted Li7La3Zr2O12 (LLZ:Ta), synthesized via solid-state reaction, and Al-free Ta-substituted Li7La3Zr2O12, fabricated by hot-press sintering (HP-LLZ:Ta), have relative densities of 92.7% and 99.0%, respectively. Impedance spectra show the total conductivity of LLZ:Ta to be 0.71 mS cm(-1) at 30 °C and that of HP-LLZ:Ta to be 1.18 mS cm(-1). The lower total conductivity for LLZ:Ta than HP-LLZ:Ta was attributed to the higher grain boundary resistance and lower relative density of LLZ:Ta, as confirmed by their microstructures. Constant direct current measurements of HP-LLZ:Ta with a current density of 0.5 mA cm(-2) suggest that the short circuit formation was neither due to the low relative density of the samples nor the reduction of Li-Al glassy phase at grain boundaries. TEM, EELS, and MAS NMR were used to prove that the short circuit was from Li dendrite formation inside HP-LLZ:Ta, which took place along the grain boundaries. The Li dendrite formation was found to be mostly due to the inhomogeneous contact between LLZ solid electrolyte and Li electrodes. By flatting the surface of the LLZ:Ta pellets and using thin layers of Au buffer to improve the contact between LLZ:Ta and Li electrodes, the interface resistance could be dramatically reduced, which results in short-circuit-free cells when running a current density of 0.5 mA cm(-2) through the pellets. Temperature-dependent stepped current density galvanostatic cyclings were also carried out to determine the critical current densities for the short circuit formation. The short circuit that still occurred at higher current density is due to the inhomogeneous dissolution and deposition of metallic Li at the interfaces of Li electrodes and LLZ solid electrolyte when cycling the cell at large current densities.

  14. Core excitation of Li by electron impact

    SciTech Connect

    Tiwary, S.N.

    1985-07-01

    Cross sections for the excitation of a core electron, which leads to autoionization, in lithium (Li) atomic system by electron impact have been calculated with use of the single-configuration Hartree-Fock wave function within the asymptotic Green's-function approximation (AGFA) in the low-bombarding-energy region. Comparison is made with available results. Our investigation demonstrates that the AGFA supports the R-matrix as well as the distorted-wave Born-approximation behavior.

  15. A new active Li-Mn-O compound for high energy density Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Freire, M.; Kosova, N. V.; Jordy, C.; Chateigner, D.; Lebedev, O. I.; Maignan, A.; Pralong, V.

    2016-02-01

    The search for new materials that could improve the energy density of Li-ion batteries is one of today’s most challenging issues. Many families of transition metal oxides as well as transition metal polyanionic frameworks have been proposed during the past twenty years. Among them, manganese oxides, such as the LiMn2O4 spinel or the overlithiated oxide Li[Li1/3Mn2/3]O2, have been intensively studied owing to the low toxicity of manganese-based materials and the high redox potential of the Mn3+/Mn4+ couple. In this work, we report on a new electrochemically active compound with the `Li4Mn2O5’ composition, prepared by direct mechanochemical synthesis at room temperature. This rock-salt-type nanostructured material shows a discharge capacity of 355 mAh g-1, which is the highest yet reported among the known lithium manganese oxide electrode materials. According to the magnetic measurements, this exceptional capacity results from the electrochemical activity of the Mn3+/Mn4+ and O2-/O- redox couples, and, importantly, of the Mn4+/Mn5+ couple also.

  16. Probing the capacity loss of Li3VO4 anode upon Li insertion and extraction

    NASA Astrophysics Data System (ADS)

    Liao, Chaoyi; Wen, Yanwei; Shan, Bin; Zhai, Tianyou; Li, Huiqiao

    2017-04-01

    Fast progresses have been made for Li3VO4 since it is firstly reported as an anode material in 2013. However, most of current works focus on its performance improvement in capacity, rate and cycle capability, little study has been done to address its charge/discharge mechanism. Herein, we try to give a comprehensive understanding of its charge/discharge behaviours and capacity loss mechanism. By controlling the depth of discharge, it is found that the first irreversible capacity loss is related to the formation of SEI film as well as the structure distortion initiated by first lithiation. And the cycle performance of Li3VO4 can also be influenced by the discharge depth. First principle calculation is also performed to predict the structure changes of Li3VO4 upon different Li insertion amounts, and the results prove that the volume expansion and crystal distortion becomes more irreversibly at deep discharge. Along with cycle number, the accumulated structure deterioration results in the decline of material crystallization and structure orders, leading to capacity loss upon cycles. Based on the systematically analysis, future optimization of Li3VO4 are also proposed, for instance, the interface modification by surface coating or optimization of electrolyte components, and structure stabilization by ion doping.

  17. A new active Li-Mn-O compound for high energy density Li-ion batteries.

    PubMed

    Freire, M; Kosova, N V; Jordy, C; Chateigner, D; Lebedev, O I; Maignan, A; Pralong, V

    2016-02-01

    The search for new materials that could improve the energy density of Li-ion batteries is one of today's most challenging issues. Many families of transition metal oxides as well as transition metal polyanionic frameworks have been proposed during the past twenty years. Among them, manganese oxides, such as the LiMn2O4 spinel or the overlithiated oxide Li[Li1/3Mn2/3]O2, have been intensively studied owing to the low toxicity of manganese-based materials and the high redox potential of the Mn(3+)/Mn(4+) couple. In this work, we report on a new electrochemically active compound with the 'Li4Mn2O5' composition, prepared by direct mechanochemical synthesis at room temperature. This rock-salt-type nanostructured material shows a discharge capacity of 355 mAh g(-1), which is the highest yet reported among the known lithium manganese oxide electrode materials. According to the magnetic measurements, this exceptional capacity results from the electrochemical activity of the Mn(3+)/Mn(4+) and O(2-)/O(-) redox couples, and, importantly, of the Mn(4+)/Mn(5+) couple also.

  18. Thermal and Cycle-Life Behavior of Commercial Li-ion and Li-Polymer Cells

    NASA Technical Reports Server (NTRS)

    Zimmerman, Albert H.; Quinzio, M. V.

    2001-01-01

    Accelerated and real-time LEO cycle-life test data will be presented for a range of commercial Li-ion and Li-polymer (gel type) cells indicating the ranges of performance that can be obtained, and the performance screening tests that must be done to assure long life. The data show large performance variability between cells, as well as a highly variable degradation signature during non-cycling periods within the life tests. High-resolution Dynamic Calorimetry data will be presented showing the complex series of reactions occurring within these Li cells as they are cycled. Data will also be presented for cells being tested using an Adaptive Charge Control Algorithm (ACCA) that continuously adapts itself to changes in cell performance, operation, or environment to both find and maintain the optimum recharge over life. The ACCA has been used to prevent all unneeded overcharge for Li cells, NiCd cells and NiH2 cells. While this is important for all these cell types, it is most critical for Li-ion cells, which are not designed with electrochemical tolerance for overcharge.

  19. Interfacial Li-ion localization in hierarchical carbon anodes

    SciTech Connect

    McNutt, Nicholas W.; Rios, Orlando; Maroulas, Vasileios; Keffer, David J.

    2016-10-24

    An understanding of the nanoscale structure and energetics of carbon composites is critical for their applications in electric energy storage. Here, we study the properties of carbon anodes synthesized from low-cost renewable lignin biopolymers for use in energy storage applications such as Li-ion batteries. The anodes possess both nanoscale and mesoscale order, consisting of carbon nanocrystallites distributed within an amorphous carbon matrix. Molecular dynamics simulations of an experimentally validated model of the anode is used to elucidate the nature of Li-ion storage. We report the discovery of a novel mechanism of Li-ion storage, one in which Li+ is not intercalated between layers of carbon (as is the case in graphitic anodes), but rather is localized at the interface of crystalline carbon domains. In particular, the effects of Li-ion binding energy on the Li-Li, Li-H, and Li-C pair distribution functions are revealed, along with the effect on charge distribution. As a result, the atomic environments surrounding the Li-ions are grouped on the basis of ion energy and then convolved into archetypal structural motifs that reveal deep insight into the geometry of ion localization in disordered systems.

  20. Interfacial Li-ion localization in hierarchical carbon anodes

    DOE PAGES

    McNutt, Nicholas W.; Rios, Orlando; Maroulas, Vasileios; ...

    2016-10-24

    An understanding of the nanoscale structure and energetics of carbon composites is critical for their applications in electric energy storage. Here, we study the properties of carbon anodes synthesized from low-cost renewable lignin biopolymers for use in energy storage applications such as Li-ion batteries. The anodes possess both nanoscale and mesoscale order, consisting of carbon nanocrystallites distributed within an amorphous carbon matrix. Molecular dynamics simulations of an experimentally validated model of the anode is used to elucidate the nature of Li-ion storage. We report the discovery of a novel mechanism of Li-ion storage, one in which Li+ is not intercalatedmore » between layers of carbon (as is the case in graphitic anodes), but rather is localized at the interface of crystalline carbon domains. In particular, the effects of Li-ion binding energy on the Li-Li, Li-H, and Li-C pair distribution functions are revealed, along with the effect on charge distribution. As a result, the atomic environments surrounding the Li-ions are grouped on the basis of ion energy and then convolved into archetypal structural motifs that reveal deep insight into the geometry of ion localization in disordered systems.« less

  1. Electrochemical performance of LiNi0.4Co0.2Mn0.4O2 prepared by different molten salt flux: LiNO3-LiCl and LiNO3-KNO3

    NASA Astrophysics Data System (ADS)

    Satyanarayana, M.; James, Joseph; U. V., Varadaraju

    2017-10-01

    LiNi0.4Co0.2Mn0.4O2 material synthesized at different temperatures by using LiNO3-LiCl and LiNO3-KNO3 molten salt as a reaction medium. The phase purity of the samples obtained by powder X-ray diffraction measurement which suggests layered α-NaFeO2 type is obtained at 800-900 °C using LiNO3-LiCl flux and at 750-850 °C using LiNO3-KNO3 flux. The surface morphology change with flux media at different temperature are obtained by scanning electron microscopy analysis. The galvanostatic cycling results show that the high stable reversible discharge capacity of 155 (±3) mAh g-1 obtained for treated compound at 900 °C for 1 h (using LiNO3-LiCl) with coloumbic efficiency of 99%. The reversible discharge capacity of 140 and 130 (±3) mAh g-1 obtained for treated compound at 750 and 850 °C, respectively (using LiNO3-KNO3).

  2. High performance MCFC using Li/Na electrolyte

    SciTech Connect

    Donado, R.A.; Ong, E.T.; Sishtla, C.I.

    1995-08-01

    The substitution of a lithium/ sodium carbonate (Li/Na) mixture for the lithium/potassium carbonate (Li/K) electrolyte used in MCFCs holds the promise of higher ionic conductivity, higher exchange current density at both electrodes, lower vapor pressure, and lower cathode dissolution rates. However, when the substitution is made in cells optimized for use with the Li/K electrolyte, the promised increase in performance is not realized. As a consequence the literature contains conflicting data with regard to the performance, compositional stability, and chemical reactivity of the Li/Na electrolyte. Experiments conducted at the Institute of Gas Technology (IGT) concluded that the source of the problem is the different wetting characteristics of the two electrolytes. Electrode pore structures optimized for use with Li/K do not work well with Li/Na. Using proprietary methods and materials, IGT was able to optimize a set of electrodes for the Li/Na electrolyte. Experiments conducted in bench-scale cells have confirmed the superior performance of the Li/Na electrolyte compared to the Li/K electrolyte. The Li/Na cells exhibited a 5 to 8 percent improvement in overall performance, a substantial decrease in the rate of cathode dissolution, and a decreased decay rate. The longest running cell has logged over 13,000 hours of operation with a decay rate of less than 2 mV/1000 hours.

  3. Li2OHCl crystalline electrolyte for stable metallic lithium anodes

    DOE PAGES

    Hood, Zachary D.; Wang, Hui; Samuthira Pandian, Amaresh; ...

    2016-01-22

    In a classic example of stability from instability, we show that Li2OHCl solid electrolyte forms a stable solid electrolyte interface (SEI) with metallic lithium anode. The Li2OHCl solid electrolyte can be readily achieved through simple mixing of air-stable LiOH and LiCl precursors with a mild processing temperature under 400 °C. Additionally, we show that continuous, dense Li2OHCl membranes can be fabricated at temperatures less than 400 °C, standing in great contrast to current processing temperatures of over 1600 °C for most oxide-based solid electrolytes. The ionic conductivity and Arrhenius activation energy were explored for the LiOH-LiCl system of crystalline solidmore » electrolytes where Li2OHCl with increased crystal defects was found to have the highest ionic conductivity and reasonable Arrhenius activation energy. The Li2OHCl solid electrolyte displays stability against metallic lithium, even in extreme conditions past the melting point of lithium metal. Furthermore, to understand this excellent stability, we show that SEI formation is critical in stabilizing the interface between metallic lithium and the Li2OHCl solid electrolyte.« less

  4. Insight into sulfur reactions in Li-S batteries.

    PubMed

    Xu, Rui; Belharouak, Ilias; Zhang, Xiaofeng; Chamoun, Rita; Yu, Cun; Ren, Yang; Nie, Anmin; Shahbazian-Yassar, Reza; Lu, Jun; Li, James C M; Amine, Khalil

    2014-12-24

    Understanding and controlling the sulfur reduction species (Li2Sx, 1 ≤ x ≤ 8) under realistic battery conditions are essential for the development of advanced practical Li-S cells that can reach their full theoretical capacity. However, it has been a great challenge to probe the sulfur reduction intermediates and products because of the lack of methods. This work employed various ex situ and in situ methods to study the mechanism of the Li-S redox reactions and the properties of Li2Sx and Li2S. Synchrotron high-energy X-ray diffraction analysis used to characterize dry powder deposits from lithium polysulfide solution suggests that the new crystallite phase may be lithium polysulfides. The formation of Li2S crystallites with a polyhedral structure was observed in cells with both the conventional (LiTFSI) electrolyte and polysulfide-based electrolyte. In addition, an in situ transmission electron microscopy experiment observed that the lithium diffusion to sulfur during discharge preferentially occurred at the sulfur surface and formed a solid Li2S crust. This may be the reason for the capacity fade in Li-S cells (as also suggested by EIS experiment in Supporting Information ). The results can be a guide for future studies and control of the sulfur species and meanwhile a baseline for approaching the theoretical capacity of the Li-S battery.

  5. Computational Studies of Solubilities of LiO{sub 2} and Li{sub 2}O{sub 2} in Aprotic Solvents.

    SciTech Connect

    Cheng, Lei; Redfern, Paul C.; Lau, Kah Chun; Assary, Rajeev S.; Narayanan, Badri; Curtiss, Larry A.

    2017-01-01

    Knowledge of the solubilities of Li2O2 and LiO2 in aprotic solvents is important for insight into the discharge and charge processes of Li-O2 batteries, but these quantities are not well known. In this contribution, the solvation free energies of molecular LiO2 and Li2O2 in various organic solvents were calculated using various explicit and implicit solvent models, as well as ab initio molecular dynamics (AIMD) methods. Best estimates for the solvation energies from these calculations along with calculated lattice energies of Li2O2 and LiO2 were used to determine the solubility of bulk LiO2 and Li2O2. The computed solubility of LiO2 (1.8 × 10-2 M) is about 15 orders higher than that of Li2O2 (2.0 × 10-17 M) due to a much less negative lattice energy of bulk LiO2 compared to that of Li2O2. The difference in solubilities between LiO2 and Li2O2 likely will affect the nucleation and growth mechanisms and resulting morphologies of the products formed during battery discharge, influencing the performance of the battery cell. The calculated LiO2 and Li2O2 solubilities provide important information for fundamental studies of discharge and charge chemistries in Li-O2 batteries.

  6. Computational Studies of Solubilities of LiO{sub 2} and Li{sub 2}O{sub 2} in Aprotic Solvents.

    DOE PAGES

    Cheng, Lei; Redfern, Paul C.; Lau, Kah Chun; ...

    2017-01-01

    Knowledge of the solubilities of Li2O2 and LiO2 in aprotic solvents is important for insight into the discharge and charge processes of Li-O2 batteries, but these quantities are not well known. In this contribution, the solvation free energies of molecular LiO2 and Li2O2 in various organic solvents were calculated using various explicit and implicit solvent models, as well as ab initio molecular dynamics (AIMD) methods. Best estimates for the solvation energies from these calculations along with calculated lattice energies of Li2O2 and LiO2 were used to determine the solubility of bulk LiO2 and Li2O2. The computed solubility of LiO2 (1.8more » × 10-2 M) is about 15 orders higher than that of Li2O2 (2.0 × 10-17 M) due to a much less negative lattice energy of bulk LiO2 compared to that of Li2O2. The difference in solubilities between LiO2 and Li2O2 likely will affect the nucleation and growth mechanisms and resulting morphologies of the products formed during battery discharge, influencing the performance of the battery cell. The calculated LiO2 and Li2O2 solubilities provide important information for fundamental studies of discharge and charge chemistries in Li-O2 batteries.« less

  7. Spectroscopy of Li9Λ by electroproduction

    NASA Astrophysics Data System (ADS)

    Urciuoli, G. M.; Cusanno, F.; Marrone, S.; Acha, A.; Ambrozewicz, P.; Aniol, K. A.; Baturin, P.; Bertin, P. Y.; Benaoum, H.; Blomqvist, K. I.; Boeglin, W. U.; Breuer, H.; Brindza, P.; Bydžovský, P.; Camsonne, A.; Chang, C. C.; Chen, J.-P.; Choi, Seonho; Chudakov, E. A.; Cisbani, E.; Colilli, S.; Coman, L.; Craver, B. J.; De Cataldo, G.; de Jager, C. W.; De Leo, R.; Deur, A. P.; Ferdi, C.; Feuerbach, R. J.; Folts, E.; Fratoni, R.; Frullani, S.; Garibaldi, F.; Gayou, O.; Giuliani, F.; Gomez, J.; Gricia, M.; Hansen, J. O.; Hayes, D.; Higinbotham, D. W.; Holmstrom, T. K.; Hyde, C. E.; Ibrahim, H. F.; Iodice, M.; Jiang, X.; Kaufman, L. J.; Kino, K.; Kross, B.; Lagamba, L.; LeRose, J. J.; Lindgren, R. A.; Lucentini, M.; Margaziotis, D. J.; Markowitz, P.; Meziani, Z. E.; McCormick, K.; Michaels, R. W.; Millener, D. J.; Miyoshi, T.; Moffit, B.; Monaghan, P. A.; Moteabbed, M.; Camacho, C. Muñoz; Nanda, S.; Nappi, E.; Nelyubin, V. V.; Norum, B. E.; Okasyasu, Y.; Paschke, K. D.; Perdrisat, C. F.; Piasetzky, E.; Punjabi, V. A.; Qiang, Y.; Reimer, P. E.; Reinhold, J.; Reitz, B.; Roche, R. E.; Rodriguez, V. M.; Saha, A.; Santavenere, F.; Sarty, A. J.; Segal, J.; Shahinyan, A.; Singh, J.; Širca, S.; Snyder, R.; Solvignon, P. H.; Sotona, M.; Subedi, R.; Sulkosky, V. A.; Suzuki, T.; Ueno, H.; Ulmer, P. E.; Veneroni, P.; Voutier, E.; Wojtsekhowski, B. B.; Zheng, X.; Zorn, C.; Jefferson Lab Hall A Collaboration

    2015-03-01

    Background: In the absence of accurate data on the free two-body hyperon-nucleon interaction, the spectra of hypernuclei provides information on the details of the effective hyperon-nucleon interaction. Purpose: To obtain a high-resolution binding-energy spectrum for the 9Be (e ,e'K+) Li9Λ reaction. Method: Electroproduction of the hypernucleus Li9Λ has been studied for the first time with sub-MeV energy resolution in Hall A at Jefferson Lab on a 9Be target. In order to increase the counting rate and to provide unambiguous kaon identification, two superconducting septum magnets and a ring imaging Cherenkov detector were added to the Hall A standard equipment. Results: The cross section to low-lying states of Li9Λ is concentrated within 3 MeV of the ground state and can be fit with four peaks. The positions of the doublets agree with theory while a disagreement could exist with respect to the relative strengths of the peaks in the doublets. The Λ separation energy, BΛ, of 8.36 ±0.08 (stat.) ±0.08 (syst.) MeV was measured, in agreement with an earlier experiment.

  8. Endurance testing with Li/Na electrolyte

    SciTech Connect

    Ong, E.T.; Remick, R.J.; Sishtla, C.I.

    1996-12-31

    The Institute of Gas Technology (IGT), under subcontract to M-C Power Corporation under DOE funding, has been operating bench-scale fuel cells to investigate the performance and endurance issues of the Li/Na electrolyte because it offers higher ionic conductivity, higher exchange current densities, lower vapor pressures, and lower cathode dissolution rates than the Li/K electrolyte. These cells have continued to show higher performance and lower decay rates than the Li/K cells since the publication of our two previous papers in 1994. In this paper, test results of two long-term 100-cm{sup 2} bench scale cells are discussed. One cell operated continuously at 160 mA/cm{sup 2} for 17,000 hours with reference gases (60H{sub 2}/20CO{sub 2}/20H{sub 2}O fuel at 75% utilization and 30CO{sub 2}/70 air oxidant humidified at room temperature at 50% utilization). The other cell operated at 160 mA/cm{sup 2} for 6900 hours at 3 atm with system gases (64H{sub 2}/16CO{sub 2}/20H{sub 2}O at 75% utilization and an M-C Power system-defined oxidant at 40% utilization). Both cells have shown the highest performance and longest endurance among IGT cells operated to date.

  9. Composite Solid Electrolyte for Li Battery Applications

    NASA Technical Reports Server (NTRS)

    Nagasubramanian, G.; Attia, A. I.; Halpert, G.; Peled, E.

    1993-01-01

    The electrochemical, bulk and interfacial properties of the polyethylene oxide (PEO) based composite solid electrolyte (CSE) comprising LiI, PEO, and Al2O3 have been evaluated for Li battery applications. The bulk interfacial and transport properties of the CSEs seem to strongly depend on the alumina particle size. For the CSE films with 0.05 micron alumina while the bulk conductivity is around 10(exp -4) (mho/cm) at 103 C, the Li ion transport number seems to be close to unity at the same temperature. Compared to the PEO electrolyte this polymer composite electrolyte seems to exhibit robust mechanical and interfacial properties. We have studied three different films with three different alumina sizes in the range 0.01-0.3 micron. Effects of Al2O3 particle size on the electrochemical performance of polymer composite electrolyte is discussed. With TiS2 as cathode a 10 mAh small capacity cell was charged and discharged at C/40 and C/20 rates respectively.

  10. Composite Solid Electrolyte for Li Battery Applications

    NASA Technical Reports Server (NTRS)

    Nagasubramanian, G.; Attia, A. I.; Halpert, G.; Peled, E.

    1993-01-01

    The electrochemical, bulk and interfacial properties of the polyethylene oxide (PEO) based composite solid electrolyte (CSE) comprising LiI, PEO, and Al2O3 have been evaluated for Li battery applications. The bulk interfacial and transport properties of the CSEs seem to strongly depend on the alumina particle size. For the CSE films with 0.05 micron alumina while the bulk conductivity is around 10(exp -4) (mho/cm) at 103 C, the Li ion transport number seems to be close to unity at the same temperature. Compared to the PEO electrolyte this polymer composite electrolyte seems to exhibit robust mechanical and interfacial properties. We have studied three different films with three different alumina sizes in the range 0.01-0.3 micron. Effects of Al2O3 particle size on the electrochemical performance of polymer composite electrolyte is discussed. With TiS2 as cathode a 10 mAh small capacity cell was charged and discharged at C/40 and C/20 rates respectively.

  11. Prussian Blue Mg—Li Hybrid Batteries

    PubMed Central

    Sun, Xiaoqi; Duffort, Victor

    2016-01-01

    The major advantage of Mg batteries relies on their promise of employing an Mg metal negative electrode, which offers much higher energy density compared to graphitic carbon. However, the strong coulombic interaction of Mg2+ ions with anions leads to their sluggish diffusion in the solid state, which along with a high desolvation energy, hinders the development of positive electrode materials. To circumvent this limitation, Mg metal negative electrodes can be used in hybrid systems by coupling an Li+ insertion cathode through a dual salt electrolyte. Two “high voltage” Prussian blue analogues (average 2.3 V vs Mg/Mg2+; 3.0 V vs Li/Li+) are investigated as cathode materials and the influence of structural water is shown. Their electrochemical profiles, presenting two voltage plateaus, are explained based on the two unique Fe bonding environments. Structural water has a beneficial impact on the cell voltage. Capacities of 125 mAh g−1 are obtained at a current density of 10 mA g−1 (≈C/10), while stable performance up to 300 cycles is demonstrated at 200 mA g−1 (≈2C). The hybrid cell design is a step toward building a safe and high density energy storage system. PMID:27818909

  12. Prussian Blue Mg-Li Hybrid Batteries.

    PubMed

    Sun, Xiaoqi; Duffort, Victor; Nazar, Linda F

    2016-08-01

    The major advantage of Mg batteries relies on their promise of employing an Mg metal negative electrode, which offers much higher energy density compared to graphitic carbon. However, the strong coulombic interaction of Mg(2+) ions with anions leads to their sluggish diffusion in the solid state, which along with a high desolvation energy, hinders the development of positive electrode materials. To circumvent this limitation, Mg metal negative electrodes can be used in hybrid systems by coupling an Li(+) insertion cathode through a dual salt electrolyte. Two "high voltage" Prussian blue analogues (average 2.3 V vs Mg/Mg(2+); 3.0 V vs Li/Li(+)) are investigated as cathode materials and the influence of structural water is shown. Their electrochemical profiles, presenting two voltage plateaus, are explained based on the two unique Fe bonding environments. Structural water has a beneficial impact on the cell voltage. Capacities of 125 mAh g(-1) are obtained at a current density of 10 mA g(-1) (≈C/10), while stable performance up to 300 cycles is demonstrated at 200 mA g(-1) (≈2C). The hybrid cell design is a step toward building a safe and high density energy storage system.

  13. CuLi2Sn and Cu2LiSn: Characterization by single crystal XRD and structural discussion towards new anode materials for Li-ion batteries.

    PubMed

    Fürtauer, Siegfried; Effenberger, Herta S; Flandorfer, Hans

    2014-12-01

    The stannides CuLi2Sn (CSD-427095) and Cu2LiSn (CSD-427096) were synthesized by induction melting of the pure elements and annealing at 400 °C. The phases were reinvestigated by X-ray powder and single-crystal X-ray diffractometry. Within both crystal structures the ordered CuSn and Cu2Sn lattices form channels which host Cu and Li atoms at partly mixed occupied positions exhibiting extensive vacancies. For CuLi2Sn, the space group F-43m. was verified (structure type CuHg2Ti; a=6.295(2) Å; wR2(F²)=0.0355 for 78 unique reflections). The 4(c) and 4(d) positions are occupied by Cu atoms and Cu+Li atoms, respectively. For Cu2LiSn, the space group P63/mmc was confirmed (structure type InPt2Gd; a=4.3022(15) Å, c=7.618(3) Å; wR2(F²)=0.060 for 199 unique reflections). The Cu and Li atoms exhibit extensive disorder; they are distributed over the partly occupied positions 2(a), 2(b) and 4(e). Both phases seem to be interesting in terms of application of Cu-Sn alloys as anode materials for Li-ion batteries.

  14. CuLi2Sn and Cu2LiSn: Characterization by single crystal XRD and structural discussion towards new anode materials for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Fürtauer, Siegfried; Effenberger, Herta S.; Flandorfer, Hans

    2014-12-01

    The stannides CuLi2Sn (CSD-427095) and Cu2LiSn (CSD-427096) were synthesized by induction melting of the pure elements and annealing at 400 °C. The phases were reinvestigated by X-ray powder and single-crystal X-ray diffractometry. Within both crystal structures the ordered CuSn and Cu2Sn lattices form channels which host Cu and Li atoms at partly mixed occupied positions exhibiting extensive vacancies. For CuLi2Sn, the space group F-43m. was verified (structure type CuHg2Ti; a=6.295(2) Å; wR2(F²)=0.0355 for 78 unique reflections). The 4(c) and 4(d) positions are occupied by Cu atoms and Cu+Li atoms, respectively. For Cu2LiSn, the space group P63/mmc was confirmed (structure type InPt2Gd; a=4.3022(15) Å, c=7.618(3) Å; wR2(F²)=0.060 for 199 unique reflections). The Cu and Li atoms exhibit extensive disorder; they are distributed over the partly occupied positions 2(a), 2(b) and 4(e). Both phases seem to be interesting in terms of application of Cu-Sn alloys as anode materials for Li-ion batteries.

  15. CuLi2Sn and Cu2LiSn: Characterization by single crystal XRD and structural discussion towards new anode materials for Li-ion batteries

    PubMed Central

    Fürtauer, Siegfried; Effenberger, Herta S.; Flandorfer, Hans

    2014-01-01

    The stannides CuLi2Sn (CSD-427095) and Cu2LiSn (CSD-427096) were synthesized by induction melting of the pure elements and annealing at 400 °C. The phases were reinvestigated by X-ray powder and single-crystal X-ray diffractometry. Within both crystal structures the ordered CuSn and Cu2Sn lattices form channels which host Cu and Li atoms at partly mixed occupied positions exhibiting extensive vacancies. For CuLi2Sn, the space group F-43m. was verified (structure type CuHg2Ti; a=6.295(2) Å; wR2(F²)=0.0355 for 78 unique reflections). The 4(c) and 4(d) positions are occupied by Cu atoms and Cu+Li atoms, respectively. For Cu2LiSn, the space group P63/mmc was confirmed (structure type InPt2Gd; a=4.3022(15) Å, c=7.618(3) Å; wR2(F²)=0.060 for 199 unique reflections). The Cu and Li atoms exhibit extensive disorder; they are distributed over the partly occupied positions 2(a), 2(b) and 4(e). Both phases seem to be interesting in terms of application of Cu–Sn alloys as anode materials for Li-ion batteries. PMID:25473128

  16. Nanoparticle shapes of LiMnPO4, Li+ diffusion orientation and diffusion coefficients for high volumetric energy Li+ ion cathodes

    NASA Astrophysics Data System (ADS)

    Kwon, Nam Hee; Yin, Hui; Vavrova, Tatiana; Lim, Jonathan H.-W.; Steiner, Ullrich; Grobéty, Bernard; Fromm, Katharina M.

    2017-02-01

    Nanoparticles of LiMnPO4 were fabricated in rod, elongated as well as cubic shapes. The 1D Li+ preferred diffusion direction for each shape was determined via electron diffraction spot patterns. The shape of nano-LiMnPO4 varied the diffusion coefficient of Li+ because the Li+ diffusion direction and the path length were different. The particles with the shortest dimension along the b-axis provided the highest diffusion coefficient, resulting in the highest gravimetric capacity of 135, 100 and 60 mAh g-1 at 0.05C, 1C and 10C, respectively. Using ball-milling, a higher loading of nano-LiMnPO4 in the electrode was achieved, increasing the volumetric capacity to 263 mAh cm-3, which is ca. 3.5 times higher than the one obtained by hand-mixing of electrode materials. Thus, the electrochemical performance is governed by both the diffusion coefficient of Li+, which is dependent on the shape of LiMnPO4 nanoparticles and the secondary composite structure.

  17. Characterizing Lava Flows With LiDAR

    NASA Astrophysics Data System (ADS)

    Deligne, N. I.; Cashman, K. V.; Deardorff, N.; Dietterich, H. R.; House, P. K.; Soule, S.

    2009-12-01

    Digital elevation models (DEMs) have been used in volcanology in predictive modeling of lava flow paths, both for assessment of potential hazards and specific predictions of lava flow paths. Topographic analysis of a lava flow is potentially useful for mapping and quantifying flow surface morphologies, which in turn can be used to determine flow emplacement conditions, such as effusion rate, steadiness of flow, and interactions with pre-existing topography and surface water. However, this has been limited in application because of the coarse resolution of most DEMs. In recent years, use of Light Detection and Ranging (LiDAR) airborne laser altimetry, capable of producing high resolution (≤ 1 meter) DEMs, has become increasingly common in the geomorphic and mapping community. However, volcanologists have made little use of airborne LiDAR. Here we compare information obtained using field observations and standard (10 meter) DEMs against LiDAR high resolution DEMs to assess the usefulness, capabilities, and limitations of LiDAR as applicable to lava flows. We compare morphologic characteristics of five lava flows of different compositions, tectonic settings, flow extents, slopes, and eruption duration: (1) 1984 Mauna Loa lava flow, Hawaii; (2) December 1974 Kilauea lava flow, Hawaii; (3) c. 1600 ybp Collier Cone lava flow, central Oregon Cascades; (4) Holocene lava flows from the Sand Mountain volcanic chain, central Oregon Cascades; and (5) Pleistocene lava flows along the Owyhee River, eastern Oregon basin and range. These lava flows range in composition from basalt to andesite, and have eruption durations ranging from 6 hours (observed) to years (inferred). We measure channel width, levee and flow front heights, compression ridge amplitude, wavelength and tumuli dimensions, and surface roughness. For all but the smallest scale features, LiDAR is easily used to quantify these features, which often is impossible or technically challenging to do in the field, while

  18. Complete theoretical treatment of Dissociative Recombination of LiH^+ and LiH2^+

    NASA Astrophysics Data System (ADS)

    Haxton, Daniel; Curik, Roman; Greene, Chris

    2007-06-01

    Studies of LiH^+ and LiH2^+ ions are motivated by their role in the chemistry of the early universe. They are diatomic and triatomic prototypes of of the indirect dissociative recombination (DR) process, in which a colliding electron destroys the molecule through Rydberg capture pathways. We apply ab-initio multi-channel quantum defect theory in combination with ro-vibrational frame transformation techniques to calculate DR for these fundamental ions. Alternate versions of the vibrational frame transformation employing either Siegert states or Exterior Complex Scaling are employed. In both cases every rovibrational degree of freedom is included in the calculations, without approximation to the nuclear kinetic energy operator. In case of the LiH^+ ion we identify the underlying mechanism behind the suprisingly high DR rate recently measured in storige-ring experiments. Calculated DR rate coefficients are in a good agreement with the experimental data. This work is supported in part by the NSF.

  19. Quantum dynamics of H + LiF and Li + HF collisions at ultracold temperatures

    NASA Astrophysics Data System (ADS)

    Weck, Philippe

    2005-05-01

    The rapid progress in experimental methods such as photoassociation and Feshbach resonance methods led recently to the creation of Bose-Einstein condensates of molecules. This technical breakthrough opens new perspectives in the study of intermolecular interactions and offers new opportunites for the study of rovibrational relaxation and chemical reactivity in ultracold gases. In this work, we present quantum scattering calculations of H + LiF and Li + HF collisions at cold and ultracold temperatures for which the reactions proceed by quantum tunneling of the relatively heavy F atom through a barrier along the reaction path. Particular effort is made here to assign resonances due to the decay of metastable states of the LiFH and HLiF van der Waals complexes. The unusually deep van der Waals wells give rise to long-lived collision complexes and narrow scattering resonances in the energy dependence of reaction cross sections. The effect of vibrational excitation on the reactivity is also explored.

  20. Spectroscopic information of 6Li from elastic scattering of deuterons, 3He and 4He by 6Li

    NASA Astrophysics Data System (ADS)

    Amar, A.

    2014-07-01

    The elastic scattering of deuterons, 3He and 4He on 6Li at different incident energies have been analyzed in the framework of the optical model (OM) using ECIS88 as well as SPI GENOA codes. The optical potential parameters were extracted in the phenomenological treatment. A good agreement between theoretical and experimental differential cross-sections was obtained in whole angular range. Parameters for real part of potential have been also calculated microscopically with double-folding model for the d, 3He and 4He scattering, respectively, using DFPOT code. The elastic transfer mechanism has been studied by coupled reaction channel (CRC) method using FRESCO code. Spectroscopic amplitudes of 6Li ≡ t + 3He and 6Li ≡ α + d configurations have been extracted from d, 3He and 4He scattering on 6Li at wide energy range. A comparison between spectroscopic amplitudes obtained from deuteron and α elastically scattering from 6Li has been made. The extracted spectroscopic amplitudes of 6Li ≡ 4He + d(SF = SA2) from 6Li(d, 6Li)d and 6Li(α, 6Li)α are not the same as expected theoretically.

  1. A Stable, Magnetic, and Metallic Li3O4 Compound as a Discharge Product in a Li-Air Battery.

    PubMed

    Yang, Guochun; Wang, Yanchao; Ma, Yanming

    2014-08-07

    The Li-air battery with the specific energy exceeding that of a Li ion battery has been aimed as the next-generation battery. The improvement of the performance of the Li-air battery needs a full resolution of the actual discharge products. Li2O2 has been long recognized as the main discharge product, with which, however, there are obvious failures on the understanding of various experimental observations (e.g., magnetism, oxygen K-edge spectrum, etc.) on discharge products. There is a possibility of the existence of other Li-O compounds unknown thus far. Here, a hitherto unknown Li3O4 compound as a discharge product of the Li-air battery was predicted through first-principles swarm structure searching calculations. The new compound has a unique structure featuring the mixture of superoxide O2(-) and peroxide O2(2-), the first such example in the Li-O system. The existence of superoxide O2(-) creates magnetism and hole-doped metallicity. Findings of Li3O4 gave rise to direct explanations of the unresolved experimental magnetism, triple peaks of oxygen K-edge spectra, and the Raman peak at 1125 cm(-1) of the discharge products. Our work enables an opportunity for the performance of capacity, charge overpotential, and round-trip efficiency of the Li-air battery.

  2. Li + ion diffusion in Li 4Ti 5O 12 thin film electrode prepared by PVP sol-gel method

    NASA Astrophysics Data System (ADS)

    Rho, Young Ho; Kanamura, Kiyoshi

    2004-06-01

    Li 4Ti 5O 12 thin films for rechargeable lithium batteries were prepared by a sol-gel method with poly(vinylpyrrolidone). Interfacial properties of lithium insertion into Li 4Ti 5O 12 thin film were examined by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and potentiostatic intermittent titration technique (PITT). Redox peaks in CV were very sharp even at a fast scan rate of 50 mV s -1, indicating that Li 4Ti 5O 12 thin film had a fast electrochemical response, and that an apparent chemical diffusion coefficient of Li + ion was estimated to be 6.8×10 -11 cm 2 s -1 from a dependence of peak current on sweep rates. From EIS, it can be seen that Li + ions become more mobile at 1.55 V vs. Li/Li +, corresponding to a two-phase region, and the chemical diffusion coefficients of Li + ion ranged from 10 -10 to 10 -12 cm 2 s -1 at various potentials. The chemical diffusion coefficients of Li + ion in Li 4Ti 5O 12 were also estimated from PITT. They were in a range of 10 -11-10 -12 cm 2 s -1.

  3. Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives

    NASA Astrophysics Data System (ADS)

    Bhatt, Mahesh Datt; O'Dwyer, Colm

    2015-01-01

    Density functional theory is used to investigate the reactivity, reduction and effect of electrolyte additives such as fluoroethylene carbonate (FEC), lithium bis(oxalate) borate (LiBOB) and lithium difluoro(oxalato) borate (LiDFOB) in propylene carbonate (PC)-based Li-ion battery electrolytes. The structural, thermodynamical and calculated infra-red vibrational analyses indicate that FEC additives reduce prior to PC, providing stable SEI film formation near the graphite anode. The reduction and reaction mechanisms of LiBOB and LiDFOB influence the SEI film composition at the graphite surface. These additives contribute to stable SEI film formation without degradation of the anode structure by PC co-intercalation.

  4. Reoxidation of uranium metal immersed in a Li2O-LiCl molten salt after electrolytic reduction of uranium oxide

    NASA Astrophysics Data System (ADS)

    Choi, Eun-Young; Jeon, Min Ku; Lee, Jeong; Kim, Sung-Wook; Lee, Sang Kwon; Lee, Sung-Jai; Heo, Dong Hyun; Kang, Hyun Woo; Jeon, Sang-Chae; Hur, Jin-Mok

    2017-03-01

    We present our findings that uranium (U) metal prepared by using the electrolytic reduction process for U oxide (UO2) in a Li2O-LiCl salt can be reoxidized into UO2 through the reaction between the U metal and Li2O in LiCl. Two salt types were used for immersion of the U metal: one was the salt used for electrolytic reduction, and the other was applied to the unused LiCl salts with various concentrations of Li2O and Li metal. Our results revealed that the degree of reoxidation increases with the increasing Li2O concentration in LiCl and that the presence of the Li metal in LiCl suppresses the reoxidation of the U metal.

  5. Growth and crystal structure of LiCuO 2

    NASA Astrophysics Data System (ADS)

    Imai, Katsuhiro; Koike, Masayoshi; Sawa, Hiroshi; Takei, Humihiko

    1993-03-01

    A new crystal LiCuO2 is synthesized from Li2CuO2 using a topotactic reaction by Li extraction. X-ray measurements reveal that the crystal system of the LiCuO2 is orthorhombic, the space group is Cmmm, and the lattice parameters are a = 5.7078(6) Å, b = 9.639(2) Å, and c = 2.7172(3) Å. The crystal structure determined by Rietveld analysis is closely related to that of Li2CuO2 and of NaCuO2. Magnetic measurement of LiCuO2 shows temperature-independent paramagnetism similar to that of NaCuO2.

  6. Diffusion of 6Li in Ta and W

    NASA Astrophysics Data System (ADS)

    Vacik, J.; Hnatowicz, V.; Köster, U.; Cervena, J.; Havranek, V.; Pasold, G.

    2006-08-01

    The objective of this work was the study of 6Li diffusion in the Ta and W refractory metals. The samples were prepared by ion implantation of 380 keV 6Li+ ions into W and Ta thin foils (up to the fluence of 1016 ions/cm2) and annealed up to the temperature 1940 °C. The depth profiles of 6Li were determined using the Thermal Neutron Depth Profiling (TNDP) technique. The results showed that diffusion of 6Li in both W and Ta foils is very complex and cannot be described by simple Fick's laws. Trapping centers (in the subsurface layers of both W and Ta metals) were supposed in a trial to explain the 6Li diffusion behaviour. However, the 6Li depth profiles were only partly explained. Other aspects are necessary to take into account for more proper quantification; such as spatially dependent diffusion coefficients, etc.

  7. Phase Diagrams for the PEO-LiX Electrolyte System.

    DTIC Science & Technology

    1987-01-01

    rather flat, in sharp contrast to previous results. 3.2c PEO- LiBF4 System Pure PEO forms complexes with LiBF , and the subsequent phase diagram for...study; 0 ----NMR(15); 0 -DSC or DTA(7, 10,12); A ---a.c.conductivity(6,10,12); 4- optical microscopy(6). is 350 - (PEO) n- LiBF4 300 (PEO) n-LiCF 3SO 3...the PEO- LiBF4 system IS" , " ATOM RATIO O/Li 50 25 8 4 2 1 250 200 150 1 00 -50I 0 0 0.1 0.2 0.3 0.4 0.5 XLiPF6 -’+’ Figure 6. Phase diagram of the

  8. Li-Ion Cell Development for Low Temperature Applications

    NASA Technical Reports Server (NTRS)

    Huang, C.-K.; Sakamoto, J. S.; Surampudi, S.; Wolfenstine, J.

    2000-01-01

    JPL is involved in the development of rechargeable Li-ion cells for future Mars Exploration Missions. The specific objectives are to improve the Li-ion cell cycle life performance and rate capability at low temperature (<<-20 C) in order to enhance survivability of the Mars lander and rover batteries. Poor Li-ion rate capability at low temperature has been attributed to: (1) the electrolytes becoming viscous or freezing and/or (2) reduced electrode capacity that results from decreased Li diffusivity. Our efforts focus on increasing the rate capability at low temperature for Li-ion cells. In order to improve the rate capability we evaluated the following: (1) cathode performance at low temperatures, (2) electrode active material particle size on low temperature performance and (3) Li diffusivity at room temperature and low temperatures. In this paper, we will discuss the results of our study.

  9. Fabrication development of Li 2O pebbles by wet process

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Kunihiko; Fuchinoue, Katsuhiro; Saito, Shigeru; Watarumi, Kazutoshi; Furuya, Takemi; Kawamura, Hiroshi

    1998-03-01

    Lithium oxide (Li 2O) is one of the best tritium breeding materials. A small sphere of Li 2O is proposed in some designs of fusion blankets. Recently, reprocessing technology on irradiated ceramic tritium breeders was developed from the viewpoint of effective use of resources and reduction of radioactive wastes. The wet process is advantageous for fabricating small Li 2O pebbles from the reprocessed lithium-bearing solutions. Preliminary fabrication tests of Li 2O pebbles by the wet process were carried out. However, the density of the pebbles obtained was only 55%. Therefore, process improvement tests were performed in order to increase the density of Li 2O pebbles fabricated by this method. The improved process yielded Li 2O pebbles in the target range of 80-85% T.D.

  10. Gamow shell model description of radiative capture reactions 6Li(p, γ)7Be and 6Li(n, γ)7Li

    NASA Astrophysics Data System (ADS)

    Dong, G. X.; Michel, N.; Fossez, K.; Płoszajczak, M.; Jaganathen, Y.; Betan, R. M. Id

    2017-04-01

    Background. According to standard stellar evolution, lithium abundance is believed to be a useful indicator of the stellar age. However, many evolved stars like red giants show huge fluctuations around expected theoretical abundances that are not yet fully understood. The better knowledge of nuclear reactions that contribute to the creation and destruction of lithium can help to solve this puzzle. Purpose. In this work we apply the Gamow shell model formulated in the coupled-channel representation to investigate the mirror radiative capture reactions 6Li(p, γ)7Be and 6Li(n, γ)7Li. Method. The cross-sections are calculated using a translationally invariant Hamiltonian with the finite-range interaction which is adjusted to reproduce spectra, binding energies and one-nucleon separation energies in 6–7Li, 7Be. The reaction channels are built by coupling the wave functions of ground state {1}1+ and excited states {3}1+, {0}1+, {2}1+ of 6Li with the projectile wave function in different partial waves. Results. We include all relevant E1, M1, and E2 transitions from the initial continuum states to the final bound states J=3/{2}1- and J=1/{2}- of 7Li and 7Be. Our microscopic astrophysical factor for the 6Li(p, γ)7Be reaction follows the average trend of the experimental value as a function of the center of mass energy. For {}6{Li}(n,γ ){}7{Li}, the calculated cross section agrees well with the data from the direct measurement of this reaction at stellar energies. Conclusion. We demonstrate that the s-wave radiative capture of proton (neutron) to the first excited state {J}π =1/{2}1+ of 7Be (7Li) is crucial and increases the total astrophysical S-factor by about 40%.

  11. Increasing Discharge Capacities of Li-(CF)(sub n) Cells

    NASA Technical Reports Server (NTRS)

    Whitacre, Jay; West, William

    2008-01-01

    An electrolyte additive has shown promise as a means of increasing the sustainable rates of discharge and, hence, the discharge capacities, of lithiumpoly(carbon monofluoride) electrochemical power cells. Lithium-poly(carbon monofluoride) [Li-(CF)n] cells and batteries offer very high specific energies practical values of about 600 W.h/g and a theoretical maximum value of 2,180 W.h/kg. However, because Li-(CF)n cells and batteries cannot withstand discharge at high rates, they have been relegated to niche applications that involve very low discharge currents over times of the order of hundreds to thousands of hours. Increasing the discharge capacities of Li- (CF)n batteries while maintaining high practical levels of specific energy would open new applications for these batteries. During the discharge of a Li-(CF)n cell, one of the electrochemical reactions causes LiF to precipitate at the cathode. LiF is almost completely insoluble in most non-aqueous solvents, including those used in the electrolyte solutions of Li-(CF)n cells. LiF is electrochemically inactive and can block the desired transport of ions at the cathode, and, hence, the precipitation of LiF can form an ever-thickening film on the cathode that limits the rate of discharge.

  12. Investigations of the Safety of Li/SOCl2 Batteries.

    DTIC Science & Technology

    1980-02-01

    INVESTIGATIONS OF THE SAFETY OF LI/SOCL2 BATTERIES . CU) _ SS FEB 80 K M ABRAHAM, R M MANK, 6 L HOLLECK DAABO?-78-C-0564 UNCLASSIFIED C-536 DELETTR-78...Research and Development Technical Report DELET-TR-78-054-F 0 INVESTIGATIONS OF THE SAFETY OF Li/SOC12 BATTERIES 0 Kuzhikalail M. Abraham Richard M...formed from the reaction of Li2S, produced in the cell under these operational modes, with LiAlCl4. It has been found that the lithium thioalminum

  13. Stationary Flowing Liquid Lithium (SFLiLi) systems for tokamaks

    NASA Astrophysics Data System (ADS)

    Zakharov, Leonid; Gentile, Charles; Roquemore, Lane

    2013-10-01

    The present approach to magnetic fusion which relies on high recycling plasma-wall interaction has exhausted itself at the level of TFTR, JET, JT-60 devices with no realistic path to the burning plasma. Instead, magnetic fusion needs a return to its original idea of insulation of the plasma from the wall, which was the dominant approach in the 1970s and upon implementations has a clear path to the DEMO device with PDT ~= 100 MW and Qelectric > 1 . The SFLiLi systems of this talk is the technology tool for implementation of the guiding idea of magnetic fusion. It utilizes the unique properties of flowing LiLi to pump plasma particles and, thus, insulate plasma from the walls. The necessary flow rate, ~= 1 g3/s, is very small, thus, making the use of lithium practical and consistent with safety requirements. The talk describes how chemical activity of LiLi, which is the major technology challenge of using LiLi in tokamaks, is addressed by SFLiLi systems at the level of already performed (HT-7) experiment, and in ongoing implementations for a prototype of SFLiLi for tokamak divertors and the mid-plane limiter for EAST tokamak (to be tested in the next experimental campaign). This work is supported by US DoE contract No. DE-AC02-09-CH11466.

  14. Prediction of superconductivity in Li-intercalated bilayer phosphorene

    SciTech Connect

    Huang, G. Q.; Xing, Z. W.; Xing, D. Y.

    2015-03-16

    It is shown that bilayer phosphorene can be transformed from a direct-gap semiconductor to a BCS superconductor by intercalating Li atoms. For the Li-intercalated bilayer phosphorene, we find that the electron occupation of Li-derived band is small and superconductivity is intrinsic. With increasing the intercalation of Li atoms, both increased metallicity and strong electron-phonon coupling are favorable for the enhancement of superconductivity. The obtained electron-phonon coupling λ can be larger than 1 and the superconducting temperature T{sub c} can be increased up to 16.5 K, suggesting that phosphorene may be a good candidate for a nanoscale superconductor.

  15. Properties of (Ga,Mn)As codoped with Li

    SciTech Connect

    Miyakozawa, Shohei; Chen, Lin; Matsukura, Fumihiro; Ohno, Hideo

    2014-06-02

    We grow Li codoped (Ga,Mn)As layers with nominal Mn composition up to 0.15 by molecular beam epitaxy. The layers before and after annealing are characterized by x-ray diffraction, transport, magnetization, and ferromagnetic resonance measurements. The codoping with Li reduces the lattice constant and electrical resistivity of (Ga,Mn)As after annealing. We find that (Ga,Mn)As:Li takes similar Curie temperature to that of (Ga,Mn)As, but with pronounced magnetic moments and in-plane magnetic anisotropy, indicating that the Li codoping has nontrivial effects on the magnetic properties of (Ga,Mn)As.

  16. Rechargeable LiNiO2/carbon cells

    NASA Astrophysics Data System (ADS)

    Dahn, J. R.; von Sacken, U.; Juzkow, M. W.; Al-Janaby, H.

    1991-08-01

    Rechargeable cells can be made using two different intercalation compounds, in which the chemical potential of the intercalant differs by several eV, for the electrodes. The factors that play a role in the selection of appropriate lithium intercalation compounds for such cells are discussed. For the ease of cell assembly, the cathode should be stable in air when it is fully intercalated, like LiNiO2. For the anode, the chemical potential of the intercalated Li should be close to that of Li metal, like it is in Li(x)C6. The intercalation of Li in LiNiO2 is discussed, and then in petroleum coke. Then, it is shown that LiNiO2/coke cells have high energy density, long cycle life, excellent high-temperature performance, low self-discharge rates, can be repeatedly discharged to zero volts without damage, and are easily fabricated. It is considered that this type of cell shows far more promise for widespread applications than traditional secondary Li cells using metallic Li anodes.

  17. Superconductivity in Li-doped {alpha}-rhombohedral boron

    SciTech Connect

    Nagatochi, T.; Sumiyoshi, A.; Kimura, K.; Hyodo, H.; Soga, K.; Sato, Y.; Terauchi, M.; Esaka, F.

    2011-05-01

    Metal transition and superconductivity were observed in Li-doped {alpha}-rhombohedral boron ({alpha}-B{sub 12}). The authors have established a purification method and obtained a large amount of high-purity {alpha}-B{sub 12} powder. Li doping into purified {alpha}-B{sub 12} was attempted by vapor diffusion processing (VDP) in a Mo or Ta tube. Li-doped {alpha}-B{sub 12} contained metallic glittering particles. Meissner effects were observed in such a compound with the nominal composition Li{sub x}B{sub 12} (x = 1.0, 1.4, 1.5, 1.7, or 2.5) (T{sub c} = 3.2-7 K). As for Li{sub 2.5}B{sub 12}, the temperature dependence of its electrical conductivity indicates a metallic character and its electrical resistivity drop is detected near the Meissner temperature. The existence of Li and Fermi edges in Li-doped {alpha}-B{sub 12} crystals was verified by transmission electron microscopy-electron energy loss spectroscopy (TEM-EELS). Lattice expansion, which is a well-known indicator of metal doping into a crystal, was also observed. Thus, Li doping into {alpha}-B{sub 12} was successfully achieved. Our work also suggests that it is possible to dope a larger amount of Li into {alpha}-B{sub 12} and to increase its T{sub c}.

  18. Li partitioning in the benthic foraminifera Amphistegina lessonii

    NASA Astrophysics Data System (ADS)

    Langer, Gerald; Sadekov, Aleksey; Thoms, Silke; Mewes, Antje; Nehrke, Gernot; Greaves, Mervyn; Misra, Sambuddha; Bijma, Jelle; Elderfield, Henry

    2015-12-01

    The shallow water benthic foraminifer Amphistegina lessonii was grown in seawater of variable Li and Ca concentration and shell Li/Ca was determined by means of LA-ICPMS. Shell Li/Ca is positively correlated to seawater Li/Ca only when the Li concentration of seawater is changed. If the seawater Ca concentration is changed, shell Li/Ca remains constant. This indicates that Li does not compete with Ca for incorporation in the shell of A. lessonii. A recently proposed calcification model can be applied to divalent cations (e.g., Mg and Sr), which compete for binding sites of ion transporters and positions in the calcite lattice. By contrast, the transport pathway of monovalent cations such as Li is probably diffusion based (e.g., ion-channels), and monovalent cations do not compete with Ca for a position in the calcite lattice. Here we present a new model for Li partitioning into foraminiferal calcite which predicts our experimental results and should also be applicable to other alkali metals.

  19. The Role of Lithium Passivation in LiSO2

    DTIC Science & Technology

    1986-12-29

    studied by mass spectrometry and scanning kuger spectroscopy. Abraham and Chaudhri (6) used IR and XPS techniques to study lithiu.i films from aged and...Lpeclfic conductivity of about 10-9 (ohm-cm)- 1 for the Li passivation layer. Peled (9) developed a model tc describe the film formation in the Li...the Li corrosion products precipitate to form the primary passivation layer. In analogy with the model put forth by Peled (9) for the Li/SOC1 2 couple

  20. Solvate structures and spectroscopic characterization of LiTFSI electrolytes.

    PubMed

    Seo, Daniel M; Boyle, Paul D; Sommer, Roger D; Daubert, James S; Borodin, Oleg; Henderson, Wesley A

    2014-11-26

    A Raman spectroscopic evaluation of numerous crystalline solvates with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI or LiN(SO2CF3)2) has been conducted over a wide temperature range. Four new crystalline solvate structures-(PHEN)3:LiTFSI, (2,9-DMPHEN)2:LiTFSI, (G3)1:LiTFSI and (2,6-DMPy)1/2:LiTFSI with phenanthroline, 2,9-dimethyl[1,10]phenanthroline, triglyme, and 2,6-dimethylpyridine, respectively-have been determined to aid in this study. The spectroscopic data have been correlated with varying modes of TFSI(-)···Li(+) cation coordination within the solvate structures to create an electrolyte characterization tool to facilitate the Raman band deconvolution assignments for the determination of ionic association interactions within electrolytes containing LiTFSI. It is found, however, that significant difficulties may be encountered when identifying the distributions of specific forms of TFSI(-) anion coordination present in liquid electrolyte mixtures due to the wide range of TFSI(-)···Li(+) cation interactions possible and the overlap of the corresponding spectroscopic data signatures.

  1. Structure of liquid PEO-LiTFSI electrolyte

    PubMed

    Mao; Saboungi; Price; Armand; Howells

    2000-06-12

    The structure of a polymer electrolyte, P(EO)7.5LiN(SO 2CF (3))(2), has been determined by neutron diffraction with isotropic substitution. The Li ions are bonded on average to five ether oxygens belonging to pairs of PEO coils. These are arranged with a considerable degree of extended-range order providing pathways for the Li ion conduction. The lack of ion pairing in this system below 4.8 A is reminiscent of that observed in the remarkable structure of P(EO)6LiAsF (6) and implies that anions and cations are free to migrate independently.

  2. Center problem for trigonometric Liénard systems

    NASA Astrophysics Data System (ADS)

    Gasull, Armengol; Giné, Jaume; Valls, Claudia

    2017-10-01

    We give a complete algebraic characterization of the non-degenerated centers for planar trigonometric Liénard systems. The main tools used in our proof are the classical results of Cherkas on planar analytic Liénard systems and the characterization of some subfields of the quotient field of the ring of trigonometric polynomials. Our results are also applied to some particular subfamilies of planar trigonometric Liénard systems. The results obtained are reminiscent of the ones for planar polynomial Liénard systems but the proofs are different.

  3. Probing anode degradation in automotive Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Kwon, Ou Jung

    The lithium-ion battery is drawing attention as a power source for future clean and fuel-efficient vehicles. Although the Li-ion battery presently shows best performance for energy density and power density compared to other rechargeable batteries, some degradation problems still remain as key challenges for long-term durability in automotive applications. Among those problems, Li deposition is well known for causing permanent capacity loss. Fundamental mechanisms of Li deposition in the carbon anode are, however, not fully understood, especially at subzero temperature and/or under high rate charge. This dissertation introduces comprehensive study of Li deposition using automotive 18650 Li-ion cells. The mechanism and relevant diagnostic methods as well as preventive charging protocol are discussed. In part one, a new diagnostic tool is introduced utilizing 3-electrode cell system, which measures thermodynamic and kinetic parameters of cathode and anode, respectively, as a function of temperature and SOC (state of charge): open circuit potential (OCP); Li diffusion coefficient in active particles; and internal resistance. These data are employed to understand electrochemical reaction and its thermal interaction under charging conditions that result in Li deposition. Part two provides a threshold parameter for the onset of Li deposition, which is not commonly used anode potential but charge capacity, or more specifically the amount of Li+ ions participating in intercalation reaction without Li deposition at given charging circumstances. This is called the critical charge capacity in this thesis, beyond which capacity loss at normal operating condition is observed, which becomes more serious as temperature is lowered and/or charge C-rate increases. Based on these experimental results, the mechanism of Li deposition is proposed as the concept of anode particle surface saturation, meaning that once the anode particle surface is saturated with Li in any charging

  4. Photodisintegration of 7Li with progeny nuclei in excited states

    NASA Astrophysics Data System (ADS)

    Wurtz, W. A.; Pywell, R. E.; Norum, B. E.; Kucuker, S.; Sawatzky, B. D.; Weller, H. R.; Stave, S.; Ahmed, M. W.

    2015-10-01

    We study the reaction channels 7Li+γ →n +6Li (2.19 ) , 7Li+γ →n +6Li(3.56 ) , and 7Li+γ →d +5He(1.27 )→n +d +4He by detecting neutrons produced by photodisintegration events. We find absolute cross sections and angular dependence for 7Li+γ →n +6Li(2.19 ) at photon energies 13 and 15 MeV and for 7Li+γ →n +6Li+γ →d +5He(1.27 )→n +d +4He we obtain an upper bound on its cross section at photon energies 12, 13, and 15 MeV.

  5. Physical chemistry of molten-salt batteries. Final report, October 1, 1981-September 30, 1982. LiCl precipitation from LiCl-KCl anolyte in porous Li-Al electrodes

    SciTech Connect

    Vallet, C.E.; Heatherly, D.E.; Heatherly, L. Jr.; Braunstein, J.

    1983-05-01

    Composition gradients such as those predicted to occur during discharge of porous Li-Al negative electrodes of Li/S batteries with LiCl-KCl eutectic electrolyte were generated and measured in the LiCl-KCl anolyte of an electrolysis cell with Li-Al electrodes. LiCl precipitation during electrolysis was observed by two-dimensional scanning of electrolyte composition in the front part of quenched porous Li-Al anode sections using SEM/EDX. The distribution of sites of increased or decreased LiCl concentration, LiCl saturation and precipitation was mapped. Cathodic regions were observed near the cell walls. Preliminary results of analysis by Auger spectroscopy confirm LiCl precipitation in the porous anode.

  6. Synthesis and crystal structure of LiBa 2N and identification of LiBa 3N

    NASA Astrophysics Data System (ADS)

    Smetana, Volodymyr; Babizhetskyy, Volodymyr; Vajenine, Grigori V.; Simon, Arndt

    2007-06-01

    The metal-rich part of the Li sbnd Ba sbnd N system was investigated using powder and single-crystal X-ray diffraction analysis. The crystal structures of two new ternary subnitrides, LiBa 2N and of LiBa 3N, were determined from single-crystal and powder X-ray diffraction data, respectively. LiBa 2N has a tetragonal structure (space group, P4 2/nmc, Z=8, a=7.980(1), c=14.263(2) Å). The structure contains infinite mutually perpendicular rows of edge-sharing LiBa 5N octahedra. LiBa 3N is isostructural with NaBa 3N ( P6 3/mmc, Z=2, a=8.182(1), c=6.922(4) Å).

  7. Polymorphs of Li 3PO 4 and Li 2MSiO 4 (M = Mn, Co) . The role of pressure

    NASA Astrophysics Data System (ADS)

    Arroyo y de Dompablo, M. E.; Amador, U.; Gallardo-Amores, J. M.; Morán, E.; Ehrenberg, H.; Dupont, L.; Dominko, R.

    The behavior of Li 3PO 4 and Li 2MSiO 4 (M = Mn, Co) compounds under high pressure/high temperature is investigated. Pmn2 1-Li 3PO 4 remains stable up to the higher experimental limit of 80 kbar (900 °C). A sample of Li 2MnSiO 4 consisting of a mixture of Pn2 1 and Pmnb polymorphs converts upon high pressure/high temperature treatment into the Pmn2 1 polymorph; the latter being stable at 80 kbar and 900 °C. A sample of Li 2CoSiO 4- P2 1 /n transforms to the denser Pmn2 1 polymorph at 40 kbar/900 °C, but decomposes at higher pressure (60 kbar/900 °C). No evidence on any novel Li 2MSiO 4 polymorph is detected in any of the high-pressure products.

  8. The Electrical Conductivity of Li2SO4: LiBr: 0.07 K2SO4.

    DTIC Science & Technology

    1978-09-01

    compressed powder cells • Lithi um silicates and alumino silicates provide ussb1a~ con-ductivity at high temperatures (T > 400°C), but at 25°C , a c i0...of LiBr and small quantities of K2SOk . This new phase extends to the melting point of Li2 SOk :LiBr:O.07 K2 SOi , (559°C) and is thus 235° long . At

  9. First principle study of LiXS2 (X = Ga, In) as cathode materials for Li ion batteries

    NASA Astrophysics Data System (ADS)

    Feng-Ya, Rao; Fang-Hua, Ning; Li-Wei, Jiang; Xiang-Ming, Zeng; Mu-Sheng, Wu; Bo, Xu; Chu-Ying, Ouyang

    2016-02-01

    From first principle calculations, we demonstrate that LiXS2 (X = Ga, In) compounds have potential applications as cathode materials for Li ion batteries. It is shown that Li can be extracted from the LiXS2 lattice with relatively small volume change and the XS4 tetrahedron structure framework remains stable upon delithiation. The theoretical capacity and average intercalation potential of the LiGaS2 (LiInS2) cathode are 190.4 (144.2) mAh/g and 3.50 V (3.53 V). The electronic structures of the LiXS2 are insulating with band gaps of 2.88 eV and 1.99 eV for X = Ga and In, respectively. However, Li vacancies, which are formed through delithiation, change the electronic structure substantially from insulating to metallic structure, indicating that the electrical conductivities of the LiXS2 compounds should be good during cycling. Li ion migration energy barriers are also calculated, and the results show that Li ion diffusions in the LiXS2 compounds can be as good as those in the currently widely used electrode materials. Project supported by the National High Technology and Development Key Program, China (Grant No. 2015AA034201), the National Natural Science Foundation of China (Grant Nos. 11234013 and 11264014), the Natural Science Foundation of Jiangxi Province, China (Grant Nos. 20133ACB21010, 20142BAB212002, and 20132BAB212005), and the Foundation of Jiangxi Provincial Education Committee, China (Grant Nos. GJJ14254 and KJLD14024).

  10. Thermodynamic studies and the phase diagram of the Li-Mg system

    SciTech Connect

    Gasior, W.; Moser, Z.; Zakulski, W.; Schwitzgebel, G.

    1996-09-01

    By means of the electromotive force (emf) method of concentration cells of the following scheme: Li (1)/LiCl-LiF (eut) or LiCi-KCl (eut)/Li-Mg (1) or Li (1)/LiCl-LiF (eut)/Li-Mg (s). Li activities for liquid and solid alloys at the (Mg), (Li), and (Mg) + (Li) two-phase region of the Li-Mg system were determined. Liquid alloys were examined at temperatures from 638 to 889 K at various Li concentrations. The (Mg) solid solutions were investigated in two series: at constant temperatures between 773 and 876 K, with varying Li content, and at fixed Li concentrations, equal to 0.125 and 0.160 molar fractions, at different temperatures between 772 and 849 K. At the two-phase region, (Mg) + (Li), emf measurements were performed in the temperature range 773 to 838 K, with fixed Li concentrations equal to 0.20, 0.25, and 0.275 molar fractions. For (Li) solid alloys, experiments were done at temperatures 773 to 849 K for several constant Li concentrations, between 0.30 and 0.45 molar fractions, respectively. Studies on solid alloys enabled the authors also to determine the boundaries (Li)/[(Mg) + (Li)] and (Mg)/[(Mg) + (Li)] at temperatures 773 to 831 K. The resulting thermodynamic and phase boundary data of this study were used with other selected references for a critical assessment of the Li-Mg system. The Lukas BINGSS optimization program and BINFKT for the calculation of the thermodynamic functions and of the phase diagram were used. The calculated equilibrium phase diagram at temperatures below 750 K indicates a slightly lower solid solubility of Mg in (Li) in comparison with results from thermal analysis and the recently published Saunders evaluation.

  11. Thermodynamic studies and the phase diagram of the Li-Mg system

    NASA Astrophysics Data System (ADS)

    Gasior, W.; Moser, Z.; Zakulski, W.; Schwitzgebel, G.

    1996-09-01

    By means of the electromotive force (emf) method of concentration cells of the following scheme: Li (1) / LiCl-LiF (eut) or LiCi-KCl (eut) / Li-Mg (1) or Li (1) / LiCl-LiF (eut) / Li-Mg (s) Li activities for liquid and solid alloys at the (Mg), (Li), and (Mg) + (Li) two-phase region of the Li-Mg system were determined. Liquid alloys were examined at temperatures from 638 to 889 K at various Li concentrations. The (Mg) solid solutions were investigated in two series: at constant temperatures between 773 and 876 K, with varying Li content, and at fixed Li concentrations, equal to 0.125 and 0.160 molar fractions, at different temperatures between 772 and 849 K. At the two-phase region, (Mg) + (Li), emf measurements were performed in the temperature range 773 to 838 K, with fixed Li concentrations equal to 0.20, 0.25, and 0.275 molar fractions. For (Li) solid alloys, experiments were done at temperatures 773 to 849 K for several constant Li concentrations, between 0.30 to 0.45 molar fractions, respectively. Studies on solid alloys enabled us also to determine the boundaries (Li)/[(Mg) + (Li)] and (Mg)/[(Mg) + (Li)] at temperatures 773 to 831 K. The resulting thermodynamic and phase boundary data of this study were used with other selected references for a critical assessment of the Li-Mg system. The Lukas BINGSS optimization program and BINFKT for the calculation of the thermodynamic functions and of the phase diagram were used. The calculated equilibrium phase diagram at temperatures below 750 K indicates a slightly lower solid solubility of Mg in (Li) in comparison with results from thermal analysis and the recently published Saunders evaluation.

  12. Li/SO2 cells and Li/SOCl2 cells: Safe use and testing

    NASA Astrophysics Data System (ADS)

    Wagner, C. G.

    1992-05-01

    Most lithium/sulfur dioxide (Li/SO2) cells and lithium/thionyl chloride (Li/SOCl2)) cells have pressure relief safety devices called vents built into them. These vents are designed to open under conditions of increasing internal cell pressure. The likelihood of cell venting has been reduced to very low levels by optimizing cell designs. If fully developed Li/SO2 cells or Li/SOCl2 cells (or batteries) are discharged within the intended design limits, they are essentially nonhazardous. In addition, the consequences of cell ventings are being minimized by use of appropriate absorbant materials and protective coatings. During battery assembly and test, detection and monitoring equipment is used to sense the presence of vented gases. Tester data analysis techniques have been developed to foresee either an increasing likelihood of a vent or the presence of a vented cell. Standard cleanup procedures have been developed to safely decontaminate the assembly or test area following a cell vent.

  13. Measuring Li+ inventory losses in LiCoO2/graphite cells using Raman microscopy

    DOE PAGES

    Snyder, Chelsea Marie; Apblett, Christopher A.; Grillet, Anne; ...

    2016-03-25

    Here, the contribution from loss of Li+ inventory to capacity fade is described for slow rates (C/10) and long-term cycling (up to 80 cycles). It was found through electrochemical testing and ex-situ Raman analysis that at these slow rates, the entirety of capacity loss up to 80 cycles can be explained by loss of Li+ inventory in the cell. The Raman spectrum of LiCoO2 is sensitive to the state of lithiation and can therefore be leveraged to quantify the state of lithiation for individual particles. With these Raman derived estimates, the lithiation state of the cathode in the discharged statemore » is compared to electrochemical data as a function of cycle number. High correlation is found between Raman quantifications of cycleable lithium and the capacity fade. Additionally, the linear relationship between discharge capacity and cell overpotential suggests that the loss of capacity stems from an impedance rise of the electrodes, which based on Li inventory losses, is caused by SEI formation and repair.« less

  14. Radiative 8Li(n, γ)9Li Capture at Low Energies

    NASA Astrophysics Data System (ADS)

    Dubovichenko, S. B.

    2017-01-01

    Within the framework of the modified cluster model with forbidden states and classification of states according to the Young tableaux, the possibility is considered of describing the available experimental data for the total cross sections of n8Li capture at thermal and astrophysical energies.

  15. Magnetization studies and spin Hamiltonian modelling of Li2 (Li1 - xFex) N

    NASA Astrophysics Data System (ADS)

    Atkinson, James H.; Jesche, Anton; Del Barco, Enrique; Canfield, Paul C.

    2015-03-01

    The study of ferromagnetic materials has yielded many examples of compounds which exhibit large energy barriers to a reversal of magnetization and correspondingly wide magnetization versus field hysteresis loops. Some materials, such as members of the class called ``single-molecule magnets'' (SMMs), even display vivid signatures of quantum tunneling effects, manifested as step-like features in hysteresis loop measurements of crystalline ensembles. The compound Li2(Li1-xFex)N has been previously shown to display an extremely high blocking temperature (~ 20 K) and large coercive fields (>11 T), as well as step-like features like those seen in SMMs. Here we report the results of low-temperature Hall sensor magnetization studies on a crystalline sample of Li2(Li1-0.006Fe0.006)N in which we detail evidence of a preferential orientation for the observed features, as well as their dependence upon transverse component fields in their magnitude, behavior which we attempt to model with a giant spin Hamiltonian. This work is supported by the US DOE, Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

  16. Thin-film Li-LiMn{sub 2}O{sub 4} batteries

    SciTech Connect

    Bates, J.B.; Lubben, D.; Dudney, N.J.

    1994-11-01

    Thin-film rechargeable Li-LiMn{sub 2}O{sub 4} batteries have been fabricated and characterized. Following deposition by electron beam evaporation of LiMn{sub 2}O{sub 4}, the amorphous as-deposited cathode films 1 cm{sup 2} in area by 0.3 to 4 {mu}m thick were annealed at 700{degree}C to 800{degree}C in oxygen in order to form the crystalline spinel phase. The capacity of the cells between 4.5 V to 3.8 V depended on the annealing conditions and ranged from 50 {mu}Ah/mg to 120 {mu}Ah/mg. When cycled over this range, the batteries exhibited excellent secondary performance with capacity losses as low as 0.001% per cycle. On charging to 5.3 V, a plateau with a median voltage of 5.1 V was observed. The total charge extracted between 3.8 V to 5.3 V corresponded to about 1Li/Mn{sub 2}O{sub 4}.

  17. Systematic Phase Diagram of LiSi and LiAl compounds from Minima Hopping Method

    NASA Astrophysics Data System (ADS)

    Romero, Aldo; Marques, Miguel; Botti, Silvana; Sarmiento-Pérez, Rafael; Valencia-Jaime, Irais; Amsler, Max; Goedecker, Stefan

    2014-03-01

    We performed an extensive theoretical exploration of the structural phase diagram of LiSi and LiAl alloys through global structural prediction. These compounds have very interesting properties. For example, LiSi alloys have been considered for high energy density anodes for future rechargeable battery technology, while LiAl alloys are expected to have applications in the field of structural components due to its light weight and maleability. The global structural prediction was performed with the minima hopping method. In this method the low energy structures are obtained by solving a set of dynamical equations of motion that allows efficient visits to local minima on the Born Oppenheimer surface. We found very good agreement between our simulations and previously reported stoichiometries. Moreover, we were able to identify several novel thermodynamically stable compositions that have not been previously synthesized. The ground-state structures were further characterized both structurally and electronically. Our calculations show that global structural prediction is a very powerful tool to predict new thermodynamically stable materials, and that it consistently outperforms other methods commonly used. Support from ACS-PRF #54075-ND10 is recognized.

  18. Radiative 8Li( n, γ)9Li Capture at Low Energies

    NASA Astrophysics Data System (ADS)

    Dubovichenko, S. B.

    2017-01-01

    Within the framework of the modified cluster model with forbidden states and classification of states according to the Young tableaux, the possibility is considered of describing the available experimental data for the total cross sections of n8Li capture at thermal and astrophysical energies.

  19. Thermal and tritium transport in Li 2O and Li 2ZrO 3

    NASA Astrophysics Data System (ADS)

    Billone, M. C.

    1996-10-01

    Lithium oxide (Li 2O) and lithium zirconate (Li 2ZrO 3) are promising tritium breeder ceramics for fusion reactors. The thermal and tritium transport databases for these materials are reviewed. Algorithms are presented for predicting the temperature and retained-tritium profiles across sintered-product and pebble-bed regions. The thermal conductivity of sintered-product material has been measured and correlated over a wide range of temperatures and densities. A modified Hall and Martin model gives good agreement with data for the effective conductivity of pebble beds of these ceramics. Laboratory data for tritium behavior in Li 2O have been used to determine model parameters in the TIARA code, which has been validated to 20 post-irradiation inventory data points. As the fundamental database for Li 2ZrO 3 is less complete, a residency-time correlation, based on 31 inventory data points, is proposed. The two ceramics are compared in the context of an ITER breeding-blanket design.

  20. Primordial Li abundance and massive particles

    SciTech Connect

    Latin-Capital-Letter-Eth apo, H.

    2012-10-20

    The problem of the observed lithium abundance coming from the Big Bang Nucleosynthesis is as of yet unsolved. One of the proposed solutions is including relic massive particles into the Big Bang Nucleosynthesis. We investigated the effects of such particles on {sup 4}HeX{sup -}+{sup 2}H{yields}{sup 6}Li+X{sup -}, where the X{sup -} is the negatively charged massive particle. We demonstrate the dominance of long-range part of the potential on the cross-section.

  1. Li-Ion Battery for ISS

    NASA Technical Reports Server (NTRS)

    Dalton, Penni; Cohen, Fred

    2004-01-01

    The ISS currently uses Ni-H2 batteries in the main power system. Although Ni-H2 is a robust and reliable system, recent advances in battery technology have paved the way for future replacement batteries to be constructed using Li-ion technology. This technology will provide lower launch weight as well as increase ISS electric power system (EPS) efficiency. The result of incorporating this technology in future re-support hardware will be greater power availability and reduced program cost. the presentations of incorporating the new technology.

  2. Anionic States of LiFLi

    DTIC Science & Technology

    1994-04-22

    EUIYCASFCTO 9 SECURITT12b CLSIIAIONT0.RIMITTION CODE TRC UNIDCLASIFEDT HCAS SIFIAPRO ED UNCPBICR LEASSEFIEDUNITE SALE IT.OO.0S50 DItTRdarIO Ior UNLIMITED-89 13...core Is atomic orbitals were doubly occupied in every configuration state function (CSF). The neglected core-core and core- valence correlation...has 2s and 2p valence orbitals to use but H has only Is valence orbitals. B. The Anion The ground electronic state of LiFLi- has a linear equilibrium

  3. Li-ion EMU Battery Testing

    NASA Technical Reports Server (NTRS)

    Rehm, Raymond; Bragg, Bobby; Strangways, Brad

    2001-01-01

    A 45Ah Lithium ion (Li-Ion) battery comprised of 5 Yardney prismatic cells was evaluated to replace the silver-zinc cells in the Extra-vehicular Mobility Unit (EMU). Tests determined that the five cell battery can meet the mission objective of 500 duty cycles and maintain a minimum voltage of 16.0 V without an individual cell voltage dropping below 3.0V. Forty real time cycles were conducted to develop BOL trend data. Decision to switch to accelerated cycling for the remaining 460 cycles was made since Real Time cycling requires 1 day/cycle. Conclusions indicate that battery replacement would indeed be prudent.

  4. Ab initio calculation of 7Li photodisintegration

    NASA Astrophysics Data System (ADS)

    Bacca, Sonia; Arenhövel, Hartmuth; Barnea, Nir; Leidemann, Winfried; Orlandini, Giuseppina

    2004-12-01

    The 7Li total photoabsorption cross section is calculated microscopically, using the semi-realistic AV4' nucleon-nucleon potential. The interaction of the final 7-nucleon system is fully taken into account via the Lorentz integral transform (LIT) method. For the calculation of the LIT we use expansions in hyperspherical harmonics (HH) in conjunction with the HH effective interaction (EIHH) approach. The convergence of the LIT expansion is discussed in detail. The calculated cross section agrees quite well with the available experimental data, which cover an energy range from threshold up to 100 MeV.

  5. Reversible superconductor-insulator transition in LiTi2O4 induced by Li-ion electrochemical reaction.

    PubMed

    Yoshimatsu, K; Niwa, M; Mashiko, H; Oshima, T; Ohtomo, A

    2015-11-06

    Transition metal oxides display various electronic and magnetic phases such as high-temperature superconductivity. Controlling such exotic properties by applying an external field is one of the biggest continuous challenges in condensed matter physics. Here, we demonstrate clear superconductor-insulator transition of LiTi2O4 films induced by Li-ion electrochemical reaction. A compact electrochemical cell of pseudo-Li-ion battery structure is formed with a superconducting LiTi2O4 film as an anode. Li content in the film is controlled by applying a constant redox voltage. An insulating state is achieved by Li-ion intercalation to the superconducting film by applying reduction potential. In contrast, the superconducting state is reproduced by applying oxidation potential to the Li-ion intercalated film. Moreover, superconducting transition temperature is also recovered after a number of cycles of Li-ion electrochemical reactions. This complete reversible transition originates in difference in potentials required for deintercalation of initially contained and electrochemically intercalated Li(+) ions.

  6. An atomic beam of 6Li — 7Li for high resolution spectroscopy from matrix isolation sublimation

    NASA Astrophysics Data System (ADS)

    Oliveira, A. N.; Sacramento, R. L.; Silva, B. A.; Uhlmann, F. O.; Wolff, W.; Cesar, C. L.

    2016-07-01

    We propose the Matrix Isolation Sublimation (MlSu) technique for generating cold lithium atoms for the measurement of the 6Li - 7Li isotope shift in D1 and D2 transitions. The technique is capable of generating cold 6Li and 7Li beams at 4 K with forward velocity of 125 m/s. Using this beam we offer a distinguished source of lithium atoms for transitions measurements, adding a new possibility to make high resolution spectroscopy towards improving the experimental checks of the theory.

  7. Impedance behavior of the LiMn2O4/LiPF6-DMC-EC interface during cycling

    SciTech Connect

    Striebel, Kathryn A.; Sakai, Eiji; Cairns, Elton J.

    2000-12-19

    Room temperature impedance measurements of the LiMn2O4/LiPF6-EC-DMC interface have been used to identify a previously unreported step in the formation of the SEI layer on this cathode. The low frequency impedance and potential of pure dense LiMn2O4 films was found to depend logarithmically on time in the end-of-discharge (EOD) state. The rate of the impedance rise decreased with Mn3+ content. The increased impedance was removed by oxidation of the film to 4.5 V vs. Li/Li+. The observations are consistent with a reversible disproportionation of part of the LiMn2O4 into Li2Mn2O4 and l-Mn2O4. Analyses of cyclic voltammograms and impedance spectra at intervals during constant current cycling of the LiMn2O4 films suggest that Li2Mn2O4 on the surface also plays a major role in the capacity fade.

  8. Li-Ion Dynamics in Li5+xLa3ZrxNb2-xO12

    NASA Astrophysics Data System (ADS)

    Nozaki, Hiroshi; Ohta, Shingo; Harada, Masashi; Månsson, Martin; Sheptyakov, Denis; Pomjakushin, Vladimir; Watanabe, Isao; Ikedo, Yutaka; Miyake, Yasuhiro; Sugiyama, Jun

    A diffusive behavior of Li+ ion in a garnet-type oxide, Li5+xLa3ZrxNb2-xO12 with x = 0-2, has been investigated by both a positive muon-spin relaxation (µ+SR) and quasi-elastic neutron scattering (QENS) technique using powder samples. The µ+SR results revealed that Li+ ions start to diffuse above ~150 K for the whole samples measured. The activation energy of Li diffusion (Ea) estimated from the µ+SR data was in good agreement with Ea obtained by the QENS measurements. However, both Eas were about a half of Ea of ionic conductivity of Li+ (σLi), which was evaluated by AC-impedance measurements on sintered pellets. This indicated the serious effect of grain boundary and/or surface on Ea. Furthermore, since the self-diffusion coefficient of Li+ estimated by µ+SR is roughly independent of x, the number of mobile Li+ in the garnet lattice was found to be the predominant parameter to determine σLi.

  9. Predicted Structure, Thermo-Mechanical Properties and Li Ion Transport in LiAlF4 Glass

    SciTech Connect

    Stechert, T. R.; Rushton, M. J. D.; Grimes, R. W.; Dillon, A. C.

    2012-08-15

    Materials with the LiAlF{sub 4} composition are of interest as protective electrode coatings in Li ion battery applications due to their high cationic conductivity. Here classical molecular dynamics calculations are used to produce amorphous model structures by simulating a quench from the molten state. These are analysed in terms of their individual pair correlation functions and atomic coordination environments. This indicates that amorphous LiAlF{sub 4} is formed of a network of corner sharing AlF{sub 6} octahedra. Li ions are distributed within this network, primarily associated with non-bridging fluorine atoms. The nature of the octahedral network is further analysed through intra- and interpolyhedral bond angle distributions and the relative populations of bridging and non-bridging fluorine ions are calculated. Network topology is considered through the use of ring statistics, which indicates that, although topologically well connected, LiAlF{sub 4} contains an appreciable number of corner-linked branch-like AlF{sub 6} chains. Thermal expansion values are determined above and below the predicted glass transition temperature of 1340 K. Finally, movement of Li ions within the network is examined with predictions of the mean squared displacements, diffusion coefficients and Li ion activation energy. Different regimes for lithium ion movement are identified, with both diffusive and sessile Li ions observed. For migrating ions, a typical trajectory is illustrated and discussed in terms of a hopping mechanism for Li transport.

  10. Li2CuVO4: A high capacity positive electrode material for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Ben Yahia, Hamdi; Shikano, Masahiro; Yamaguchi, Yoichi

    2016-07-01

    The new compound Li2CuVO4 was synthesized by a solid state reaction route, and its crystal structure was determined from single crystal X-ray diffraction data. Li2CuVO4 was characterized by galvanometric cycling, cycle voltammetry, and electrochemical impedance spectroscopy. The structure of Li2CuVO4 is isotypic to Pmn21-Li3VO4. It can be described as a disordered wurtzite structure with rows of Li1/Cu1 atoms alternating with rows of (Li2/Cu2)-V-(Li2/Cu2) atoms along [100]. All cations are tetrahedrally coordinated. The lithium and copper atoms are statistically disordered over two crystallographic sites. The electrochemical cycling between 2.0 and 4.7 V indicates that almost two lithium atoms could be extracted and re-intercalated. This delivers a maximum discharge capacity of 257 mA h g-1 at a C/50 rate (theoretical capacity = 139 mA h g-1 for one lithium). Li2CuVO4 shows also high rate capability with a capacity of 175 mA h g-1 at 1C rate. This demonstrates that Cu-based compounds can be very interesting as electrodes for Li-ion batteries if Cu-dissolution is avoided.

  11. Residual stresses and clamped thermal expansion in LiNbO3 and LiTaO3 thin films

    NASA Astrophysics Data System (ADS)

    Bartasyte, A.; Plausinaitiene, V.; Abrutis, A.; Murauskas, T.; Boulet, P.; Margueron, S.; Gleize, J.; Robert, S.; Kubilius, V.; Saltyte, Z.

    2012-09-01

    Residual stresses in LiNbO3 and LiTaO3 epitaxial thin films were evaluated taking into account Li nonstoichiometry by means of Raman spectroscopy and x-ray diffraction. The epitaxial films were grown on C-cut sapphire substrates by pulsed injection metal organic chemical vapour deposition. Clamping of the epitaxial films by the substrate induced a transfer from the in plane thermal expansion to the out of plane component. The temperature of the phase transition of clamped LiTaO3 films was close to that expected for a bulk sample.

  12. Electrodeposition of Mg-Li-Al-La Alloys on Inert Cathode in Molten LiCl-KCl Eutectic Salt

    NASA Astrophysics Data System (ADS)

    Han, Wei; Chen, Qiong; Sun, Yi; Jiang, Tao; Zhang, Milin

    2011-12-01

    Electrochemical preparation of Mg-Li-Al-La alloys on inert electrodes was investigated in LiCl-KCl melt at 853 K (580 °C). Cyclic voltammograms (CVs) and square wave voltammograms (SWVs) show that the existence of AlCl3 or AlF3 could promote La deposition on an active Al substrate, which is predeposited on inert electrodes. All electrochemical tests show that the reduction of La3+ is a one-step reduction process with three electrons exchanged. The reduction of La(III)→La(0) occurred at -2.04 V, and the underpotential deposition (UPD) of La was detected at -1.55 V ( vs Ag/AgCl). The same phenomena concerning La UPD were observed on two inert cathodes, W and Mo. In addition, Mg-Li-Al-La alloys were obtained by galvanostatic electrolysis on the W cathode from La2O3 in LiCl-KCl-MgCl2-KF melts with aluminum as the anode. X-ray diffraction (XRD) measurements indicated that various phases like the Al2La, Al12Mg17, and βLi phase (LiMg/Li3Mg7) existed in the Mg-Li-Al-La alloys. The distribution of Mg, Al, and La in Mg-Li-Al-La alloys from the analysis of a scan electron micrograph (SEM) and energy dispersive spectrometry (EDS) indicated that the elements Mg, Al, and La distributed homogeneously in the alloys.

  13. Exploration of spinel LiCrTiO4 as the cathode material for rechargeable Mg-Li hybrid batteries.

    PubMed

    Yao, Ye; Zhang, Lu; Bie, Xiaofei; Chen, Hong; Wang, Chunzhong; Du, Fei; Chen, Gang

    2017-06-17

    Mg-Li hybrid batteries have attracted wide interest in recent years because of the potential safety as well as the cost benefit and high volumetric capacity. However, the slow kinetic properties strongly hinder their commercial application. In this study, we prepare spinel LiCrTiO4 by the solid-state reaction and conduct a comprehensive study on the improvement of its performance in Mg-Li hybrid batteries by optimizing the dual-salt electrolytes. It is found that LiCrTiO4 shows the reversible discharge/charge capacity of 178/169 mAh g-1 in the electrolyte of 1 M LiCl and 0.3 M APC (all-phenyl-complex). And when the concentration of APC increases to 0.4 M, LiCrTiO4 shows a high capacity retention of 95% after 30 cycles. In addition, no phase transition could be observed for the LiCrTiO4 electrode in dual-salts system, suggesting a highly electrochemical reversibility. Ex-situ EDX and SEM indicates that only Li+ ions are inserted into the cathode side, while Mg2+ ions reversibly deposit on the surface of Mg metal with no dendrite-like growth, indicative of good safety of Mg-Li hybrid batteries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Reversible superconductor-insulator transition in LiTi2O4 induced by Li-ion electrochemical reaction

    PubMed Central

    Yoshimatsu, K.; Niwa, M.; Mashiko, H.; Oshima, T.; Ohtomo, A.

    2015-01-01

    Transition metal oxides display various electronic and magnetic phases such as high-temperature superconductivity. Controlling such exotic properties by applying an external field is one of the biggest continuous challenges in condensed matter physics. Here, we demonstrate clear superconductor-insulator transition of LiTi2O4 films induced by Li-ion electrochemical reaction. A compact electrochemical cell of pseudo-Li-ion battery structure is formed with a superconducting LiTi2O4 film as an anode. Li content in the film is controlled by applying a constant redox voltage. An insulating state is achieved by Li-ion intercalation to the superconducting film by applying reduction potential. In contrast, the superconducting state is reproduced by applying oxidation potential to the Li-ion intercalated film. Moreover, superconducting transition temperature is also recovered after a number of cycles of Li-ion electrochemical reactions. This complete reversible transition originates in difference in potentials required for deintercalation of initially contained and electrochemically intercalated Li+ ions. PMID:26541508

  15. Coulomb dissociation and momentum distributions for [sup 11]Li [yields] [sup 9]Li + n + n breakup reactions

    SciTech Connect

    Esbensen, H.

    1993-01-01

    Momentum distributions for the [sup 11]Li [yields] [sup 9]Li+n+n breakup reaction, generated by Coulomb dipole excitations, axe calculated in a 3-body model for [sup 11]Li. The relative momentum distribution of the two neutrons is in good agreement with recent 3-body coincidence measurements but the momentum distribution for the [sup 9]Li recoil and the decay energy spectrum are much narrower than observed. These discrepancies may be due to higher order dynamical effects which have been ignored.

  16. Coulomb dissociation and momentum distributions for {sup 11}Li {yields} {sup 9}Li + n + n breakup reactions

    SciTech Connect

    Esbensen, H.

    1993-03-01

    Momentum distributions for the {sup 11}Li {yields} {sup 9}Li+n+n breakup reaction, generated by Coulomb dipole excitations, axe calculated in a 3-body model for {sup 11}Li. The relative momentum distribution of the two neutrons is in good agreement with recent 3-body coincidence measurements but the momentum distribution for the {sup 9}Li recoil and the decay energy spectrum are much narrower than observed. These discrepancies may be due to higher order dynamical effects which have been ignored.

  17. Li3-O-Li3 molecule: a metal-nonmetal-metal sandwichlike compound with a distending electron cloud.

    PubMed

    Chen, Wei; Li, Zhi-Ru; Wu, Di; Li, Ying; Sun, Chia-Chung

    2005-10-22

    The D3d and D2d isomers of the Li3-O-Li3 molecule are metal-nonmetal-metal sandwichlike structures that contain two Li3 superalkali atoms. Their geometries and the real frequencies are obtained at the CCSD(T)/aug-cc-pVDZ level. They are different from the traditional types of the nonmetal-metal-nonmetal sandwich compounds. The natural bond orbital calculation and the topological property nabla2rho(r) calculation indicate that they are typical ionic compounds. In two isomers, the O2- anion is sandwiched in between two Li3+ cation rings. However, the different orientations of two Li3+ planes give the D3d isomer its own special characteristics. Under the action of the O2- anion in the center, the valence electrons of the D3d isomer are pushed out from two Li3+ triangle rings. This special interaction causes three phenomena. First, the valence electron clouds are distended. Second, the vertical ionization energy of the D3d isomer is considerably low, 4.39 eV, so that it may also be viewed as a superalkali atom. Third, we find that the D3d isomer owns the out-of-plane aromaticity and the largest negative nucleus-independent chemical shift value (-10.8 ppm) exists at 2.5 A above the center of the Li3+ ring, not at the center of the Li3+ ring like the isolated aromatic Li3+ cation.

  18. Electrochemical behavior of nanostructured LiV3O8 in aqueous LiNO3 solution

    NASA Astrophysics Data System (ADS)

    Liu, Li; Tian, Fanghua; Yang, Zhenhua; Wang, Xingyan; Zhou, Meng; Wang, Xianyou

    2011-12-01

    Despite the large number of studies on the electrochemical behavior of LiV3O8 as a cathode material in nonaqueous lithium ion batteries, little information is available about the electrochemical behavior of LiV3O8 as an anode material in aqueous rechargeable lithium batteries. In this work, nanostructured LiV3O8 is successfully prepared using a low-temperature solid-state method. The electrochemical properties of the LiV3O8 electrode in 1 M, 5 M, and saturated LiNO3 aqueous electrolytes have been characterized by cyclic voltammetry, electrochemical impedance spectroscopy, and galvanostatic charge/discharge experiments. The results show that LiV3O8 electrode in saturated LiNO3 electrolyte exhibits good electrochemical performance in terms of specific capacity and electrochemical cycling performance. LiV3O8 electrode can be reversibly cycled in saturated LiNO3 aqueous electrolyte for 300 cycles at a rate of 0.5 C (300 mA g-1 is assumed to be 1 C rate) with impressive specific capacities.

  19. Quantitation of Li2O2 stored in Li-O2 batteries based on its reaction with an oxoammonium salt.

    PubMed

    Hase, Yoko; Ito, Emi; Shiga, Tohru; Mizuno, Fuminori; Nishikoori, Hidetaka; Iba, Hideki; Takechi, Kensuke

    2013-09-28

    Precise knowledge of the discharge and charge reactions within Li-O2 batteries is an important aspect of developing highly efficient, rechargeable Li-O2 cells. We describe an analytical method capable of determining the quantity of Li2O2 in the cathode on the basis of the reaction of Li2O2 with an oxoammonium salt.

  20. Crystal structure and magnetic properties of Li,Cr-containing molybdates Li 3Cr(MoO 4) 3, LiCr(MoO 4) 2 and Li 1.8Cr 1.2(MoO 4) 3

    NASA Astrophysics Data System (ADS)

    Sarapulova, A.; Mikhailova, D.; Senyshyn, A.; Ehrenberg, H.

    2009-12-01

    Single crystals of LiCr(MoO 4) 2, Li 3Cr(MoO 4) 3 and Li 1.8Cr 1.2(MoO 4) 3 were grown by a flux method during the phase study of the Li 2MoO 4-Cr 2(MoO 4) 3 system at 1023 K. LiCr(MoO 4) 2 and Li 3Cr(MoO 4) 3 single phases were synthesized by solid-state reactions. Li 3Cr(MoO 4) 3 adopts the same structure type as Li 3In(MoO 4) 3 despite the difference in ionic radii of Cr 3+ and In 3+ for octahedral coordination. Li 3Cr(MoO 4) 3 is paramagnetic down to 7 K and shows a weak ferromagnetic component below this temperature. LiCr(MoO 4) 2 is isostructural with LiAl(MoO 4) 2 and orders antiferromagnetically below 20 K. The magnetic structure of LiCr(MoO 4) 2 was determined from low-temperature neutron diffraction and is based on the propagation vektor k⇒=({1}/{2},{1}/{2},0). The ordered magnetic moments were refined to 2.3(1) μ B per Cr-ion with an easy axis close to the [1 1 1¯] direction. A magnetic moment of 4.37(3) μ B per Cr-ion was calculated from the Curie constant for the paramagnetic region. The crystal structures of the hitherto unknown Li 1.8Cr 1.2(MoO 4) 3 and LiCr(MoO 4) 2 are compared and reveal a high degree of similarity: In both structures MoO 4-tetrahedra are isolated from each other and connected with CrO 6 and LiO 5 via corners. In both modifications there are Cr 2O 10 fragments of edge-sharing CrO 6-octahedra.

  1. Selected test results from the LiFeBatt iron phosphate Li-ion battery.

    SciTech Connect

    Ingersoll, David T.; Hund, Thomas D.

    2008-09-01

    In this paper the performance of the LiFeBatt Li-ion cell was measured using a number of tests including capacity measurements, capacity as a function of temperature, ohmic resistance, spectral impedance, high power partial state of charge (PSOC) pulsed cycling, pulse power measurements, and an over-charge/voltage abuse test. The goal of this work was to evaluate the performance of the iron phosphate Li-ion battery technology for utility applications requiring frequent charges and discharges, such as voltage support, frequency regulation, and wind farm energy smoothing. Test results have indicated that the LiFeBatt battery technology can function up to a 10C{sub 1} discharge rate with minimal energy loss compared to the 1 h discharge rate (1C). The utility PSOC cycle test at up to the 4C{sub 1} pulse rate completed 8,394 PSOC pulsed cycles with a gradual loss in capacity of 10 to 15% depending on how the capacity loss is calculated. The majority of the capacity loss occurred during the initial 2,000 cycles, so it is projected that the LiFeBatt should PSOC cycle well beyond 8,394 cycles with less than 20% capacity loss. The DC ohmic resistance and AC spectral impedance measurements also indicate that there were only very small changes after cycling. Finally, at a 1C charge rate, the over charge/voltage abuse test resulted in the cell venting electrolyte at 110 C after 30 minutes and then open-circuiting at 120 C with no sparks, fire, or voltage across the cell.

  2. Femtosecond Cr:LiSAF and Cr:LiCAF lasers pumped by tapered diode lasers.

    PubMed

    Demirbas, Umit; Schmalz, Michael; Sumpf, Bernd; Erbert, Götz; Petrich, Gale S; Kolodziejski, Leslie A; Fujimoto, James G; Kärtner, Franz X; Leitenstorfer, Alfred

    2011-10-10

    We report compact, low-cost and efficient Cr:Colquiriite lasers that are pumped by high brightness tapered laser diodes. The tapered laser diodes provided 1 to 1.2 W of output power around 675 nm, at an electrical-to-optical conversion efficiency of about 30%. Using a single tapered diode laser as the pump source, we have demonstrated output powers of 500 mW and 410 mW together with slope efficiencies of 47% and 41% from continuous wave (cw) Cr:LiSAF and Cr:LiCAF lasers, respectively. In cw mode-locked operation, sub-100-fs pulse trains with average power between 200 mW and 250 mW were obtained at repetition rates around 100 MHz. Upon pumping the Cr:Colquiriite lasers with two tapered laser diodes (one from each side of the crystal), we have observed scaling of cw powers to 850 mW in Cr:LiSAF and to 650 mW in Cr:LiCAF. From the double side pumped Cr:LiCAF laser, we have also obtained ~220 fs long pulses with 5.4 nJ of pulse energy at 77 MHz repetition rate. These are the highest energy levels reported from Cr:Colquiriite so far at these repetition rates. Our findings indicate that tapered diodes in the red spectral region are likely to become the standard pump source for Cr:Colquiriite lasers in the near future. Moreover, the simplified pumping scheme might facilitate efficient commercialization of Cr:Colquiriite systems, bearing the potential to significantly boost applications of cw and femtosecond lasers in this spectral region (750-1000 nm).

  3. Fast neutron measurements with 7Li and 6Li enriched CLYC scintillators

    NASA Astrophysics Data System (ADS)

    Giaz, A.; Blasi, N.; Boiano, C.; Brambilla, S.; Camera, F.; Cattadori, C.; Ceruti, S.; Gramegna, F.; Marchi, T.; Mattei, I.; Mentana, A.; Million, B.; Pellegri, L.; Rebai, M.; Riboldi, S.; Salamida, F.; Tardocchi, M.

    2016-07-01

    The recently developed Cs2LiYCl6:Ce (CLYC) crystals are interesting scintillation detectors not only for their gamma energy resolution (<5% at 662 keV) but also for their capability to identify and measure the energy of both gamma rays and fast/thermal neutrons. The thermal neutrons were detected by the 6Li(n,α)t reaction while for the fast neutrons the 35Cl(n,p)35S and 35Cl(n,α)32P neutron-capture reactions were exploited. The energy of the outgoing proton or α particle scales linearly with the incident neutron energy. The kinetic energy of the fast neutrons can be measured using both the Time Of Flight (TOF) technique and using the CLYC energy signal. In this work, the response to monochromatic fast neutrons (1.9-3.8 MeV) of two CLYC 1″×1″ crystals was measured using both the TOF and the energy signal. The observables were combined to identify fast neutrons, to subtract the thermal neutron background and to identify different fast neutron-capture reactions on 35Cl, in other words to understand if the detected particle is an α or a proton. We performed a dedicated measurement at the CN accelerator facility of the INFN Legnaro National Laboratories (Italy), where the fast neutrons were produced by impinging a proton beam (4.5, 5.0 and 5.5 MeV) on a 7LiF target. We tested a CLYC detector 6Li-enriched at about 95%, which is ideal for thermal neutron measurements, in parallel with another CLYC detector 7Li-enriched at more than 99%, which is suitable for fast neutron measurements.

  4. 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.

  5. Stable Li Plating/Stripping Electrochemistry Realized by a Hybrid Li Reservoir in Spherical Carbon Granules with 3D Conducting Skeletons.

    PubMed

    Ye, Huan; Xin, Sen; Yin, Ya-Xia; Li, Jin-Yi; Guo, Yu-Guo; Wan, Li-Jun

    2017-04-14

    Lithium metal is a promising battery anode. However, inhomogeneous mass and charge transfers across the Li/electrolyte interface result in formation of dendritic Li and "dead" Li, and an unstable solid electrolyte interphase, which incur serious problems to impede its service in rechargeable batteries. Here, we show that the above problems can be mitigated by regulating the interfacial mass/charge transfer. The key to our strategy is hybrid Li storage in onion-like, graphitized spherical C granules wired on a three-dimensional conducting skeleton, which enhances the negativity of surface charge of the C host to contribute to a uniform Li plating while also forming stable Li/C intercalation compounds to offset any irreversible Li loss during cycling. As a result, the anode shows a suppressed dendrite formation and a high Li utilization >95%, enabling a practical Li battery to strike a long lifespan of 1000 cycles at a surplus Li of merely 5%.

  6. Li3PO4-added garnet-type Li6.5La3Zr1.5Ta0.5O12 for Li-dendrite suppression

    NASA Astrophysics Data System (ADS)

    Xu, Biyi; Li, Wenlong; Duan, Huanan; Wang, Haojing; Guo, Yiping; Li, Hua; Liu, Hezhou

    2017-06-01

    This paper proposes a strategy to stabilize the garnet/Li interface by introducing Li3PO4 as an additive in garnet-type Li6.5La3Zr1.5Ta0.5O12. The Li3PO4-added Li6.5La3Zr1.5Ta0.5O12 electrolyte exhibits a room-temperature Li-ion conductivity of 1.4 × 10-4 S cm-1, which is less than that of the Li3PO4-free counterparts (4.6 × 10-4 S cm-1). However, the presence of Li3PO4 improves the interfacial compatibility and suppresses Li-dendrite formation during Li-metal plating/stripping. The symmetric Li/garnet/Li cells with Li3PO4-added Li6.5La3Zr1.5Ta0.5O12 have been successfully cycled at a current density of 0.1 mA cm-2 at 60 °C for 60 h; on contrast, the control cells with Li3PO4-free Li6.5La3Zr1.5Ta0.5O12 display noisy potential with large voltage polarization and get short-circuited completely after 33-h cycling under the same operating condition. The outstanding interface stability can be attributed to the in situ reaction of the Li flux with Li3PO4 to form a self-limiting and ion-conducting interphase, Li3P, which is confirmed experimentally.

  7. Electrocatalysis in Li-S batteries

    NASA Astrophysics Data System (ADS)

    Al salem, Hesham I. A.

    Stabilizing polysulfide-shuttle process while ensuring high sulfur loading holds the key to realize high theoretical energy density (2500 Wh/kg) of lithium-sulfur (Li-S) batteries. Though several carbon based porous materials have been used as host structures for sulfur and its intermediate polysulfides, the week adsorption of polysulfides on carbon surface and its poor reaction kinetics limits them from practical application. Here, we preset a novel electcatalysis approach to stabilize polysulfide shuttle process and also enhance its red-ox kinetics. As a proof of concept, we have studied in-detail using conventional electrocatalyst (Pt/graphene composite), further the same extended to cost-effective electrocatalysts such as WS2 nanosheets and Metal carbides for viable practical applications. Nature of electrocatalyst, concentration of polysulfides and temperature of the cell on electrochemical properties will be discussed. We reveal substantial improvement in electrochemical properties such as specific capacity, rate capability, and coulombic efficiency and corroborate our findings with systematic experimental studies. Interaction between electrocatalyst and polysulfides has been evaluated by conducting X-ray photoelectron spectroscopy and electron microscopy studies at various electrochemical conditions. As a conclusion, introducing a catalyst in the Li-S system will open a new avenue for improving electrochemical performance.

  8. Computational modeling of Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Grazioli, D.; Magri, M.; Salvadori, A.

    2016-12-01

    This review focuses on energy storage materials modeling, with particular emphasis on Li-ion batteries. Theoretical and computational analyses not only provide a better understanding of the intimate behavior of actual batteries under operational and extreme conditions, but they may tailor new materials and shape new architectures in a complementary way to experimental approaches. Modeling can therefore play a very valuable role in the design and lifetime prediction of energy storage materials and devices. Batteries are inherently multi-scale, in space and time. The macro-structural characteristic lengths (the thickness of a single cell, for instance) are order of magnitudes larger than the particles that form the microstructure of the porous electrodes, which in turn are scale-separated from interface layers at which atomistic intercalations occur. Multi-physics modeling concepts, methodologies, and simulations at different scales, as well as scale transition strategies proposed in the recent literature are here revised. Finally, computational challenges toward the next generation of Li-ion batteries are discussed.

  9. The influence of temperature and salinity on the Li/Ca and d7Li of inorganic and biogenic carbonates

    NASA Astrophysics Data System (ADS)

    Marriott, C.; Staubwasser, M.; Crompton, R.; Henderson, G.

    2003-04-01

    Lithium is the sixth most abundant metal in the ocean. It is conservative with a residence time of around 1Ma and has two stable isotopes ^7Li and ^6Li that are not actively involved in biological processes. Isotopic fractionation is observed during incorporation into calcium carbonate but no previous work has systematically examined the controls on this fractionation. We have investigated Li incorporation and isotopic fraction in both inorganically precipitated calcite and coralline aragonite (1). In both cases there is an inverse correlation of Li concentration with temperature and no significant variation in isotopic fractionation. A decrease in D Li/Ca from 0.0092 to 0.0030 is seen over a temperature range of 5--30^oC, whilst an offset of approximately -8.5 ppm is seen in the δ^7Li ratio relative to the growth solution. The temperature dependence of Li/Ca has an increased sensitivity at low temperatures and might therefore be useful in examining changes in bottom water temperature. We are now investigating Li/Ca and δ^7Li of foraminifera. Previous work (2) has suggested little variability in Li/Ca with temperature, although this was for samples from warmer water where Li/Ca is not sensitive. In this study, Uvigerina are examined in a series of core top samples from the Arabian Sea with a depth range of 95--1800m and corresponding temperature range of 5--20^oC. A series of inorganic calcite samples have also been precipitated in order to examine the effect of salinity on Li/Ca, δ^7Li and δ44Ca over a salinity range of 10--50 psu. The distribution coefficient of Li shows a positive correlation with salinity over this range. δ^7Li and δ44Ca measurements for these samples are presently being analysed. (1) Marriott et al., 2002, GCA, 66, A485 (2) Delaney et al., 1985, GCA, 49, 1327

  10. First-principles simulations of the porous layered calcogenides Li2 +xSnO3 and Li2 +xSnS3

    NASA Astrophysics Data System (ADS)

    Howard, Jason; Holzwarth, N. A. W.

    2016-08-01

    First-principles simulations of the porous layered calcogenide materials Li2SnO3 and Li2SnS3 are used to study their structures, Li ion mobilities, and their interactions with excess Li. The pristine materials are characterized by a regular pattern of voids within the calcogenide layers which are occupied by intralayer Li ions. The energetically most favorable Li ion migration processes for both materials result in a net motion perpendicular to the layers and involve intralayer Li ions and nearby interstitial sites. The ideal lattice has eight symmetry related stable interstitial sites within the conventional unit cell which, in addition to participating in the Li ion migration processes, are also important for accommodating excess Li during lithiation processes. Consistent with experimental findings, the simulations find that the addition of Li atoms to Li2SnO3 results in a disruption of the calcogen lattice with the breaking of Sn-O bonds. The estimated voltage versus bcc Li for this system is in qualitative agreement with experiment provided that Sn/Li disorder is taken into account. By contrast, the simulations predict that the addition of Li atoms to Li2SnS3 results in a stable metallic material up to a stoichiometry of Li3SnS3 . This prediction has not yet been studied experimentally. Simulations of surfaces of these materials find that it is energetically favorable to add a small amount of excess surface Li. However, interfaces of these materials with Li metal are found to be reactive. Some of the findings may be relevant to other materials having the same crystal structure such as Li2MnO3 and Li2TiO3 .

  11. 8Li({alpha},n)11B at Big Bang Temperatures: Neutron Counting With a Low Intensity 8Li Radioactive Beam

    SciTech Connect

    Cherubini, S.; Rolfs, C.; Strieder, F.; Figuera, P.; Agodi, C.; Alba, R.; Calabretta, L.; Cosentino, L.; Del Zoppo, A.; Di Pietro, A.; Lamia, L.; Pappalardo, L.; Pizzone, R.G.; Musumarra, A.; Pellegriti, M.G.; Rinollo, A.; Romano, S.; Spitaleri, C.; Tudisco, S.; Tumino, A.

    2004-02-27

    The cross section of 8Li({alpha},n)11B is very important for the study of primordial nucleosinthesys models. In this paper we report on the production of a 8Li beam via the 7Li(d,p)8Li reaction at the Laboratori Nazionali del Sud. Also, a novel experimental technique for measuring the reaction 8Li({alpha},n)11B at energies of astrophysical interest has been implemented and tested.

  12. 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

  13. Continuous flame aerosol synthesis of carbon-coated nano-LiFePO(4) for Li-ion batteries.

    PubMed

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

    2011-10-01

    Core-shell, nano-sized LiFePO(4)-carbon particles were made in one step by scalable flame aerosol technology at 7 g/h. Core LiFePO(4) 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 C(2)H(2) in an O(2)-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 (1.0LiFePO(4) particles were formed at fuel-lean conditions (0.8LiFePO(4) with a crystal size of 65 nm and 30 wt% ACB content. Uncoated LiFePO(4) or segregated LiFePO(4)-ACB grew to 250 nm at these conditions. Annealing at 800 °C induced carbothermal reduction of LiFePO(4) to Fe(2)P by ACB shell consumption that resulted in cavities between carbon shell and core LiFePO(4) and even slight LiFePO(4) crystal growth but better electrochemical performance. The present carbon-coated LiFePO(4) showed superior cycle stability and higher rate capability than the benchmark, commercially available LiFePO(4).

  14. Screening Li-ion batteries for internal shorts

    NASA Astrophysics Data System (ADS)

    Darcy, Eric

    A Li-ion polymer pouch cell battery design for a spacesuit developed an internal short during ground storage. A detailed failure investigation found that native contamination was the most probable root cause as the failure mechanism was successfully replicated. Lessons learned are applicable to the implementation of most Li-ion cell designs for critical applications.

  15. Si(Li) X-ray astronomical spectroscopy

    NASA Technical Reports Server (NTRS)

    Holt, S. S.

    1975-01-01

    The general considerations involved in the choice of Si(Li) as a non-dispersive spectrometer for X-ray astronomy are discussed. In particular, its adaptation to HEAO-B is described as an example of the space-borne application of Si(Li) technology.

  16. NASA/GSFC Testing of Li-Ion Cells: Update

    NASA Technical Reports Server (NTRS)

    Vaidyanathan, Hari; Rao, Gopalakrishna M.

    2001-01-01

    This viewgraph paper presents a report on the ongoing testing of Lithium Ion (Li-Ion) cells. Characterizes cells according to capacity, self-discharge, and mid-discharge voltage. Determines the cycling performance of Li-Ion cells as batteries according to number of cycles, charge voltage, and temperature.

  17. An Introduction to the RoLI[TM

    ERIC Educational Resources Information Center

    Meyer, Jan H. F.

    2004-01-01

    The Reflections on Learning Inventory (RoLI) is an instrument designed to capture variation in students' engagement of learning--typically in a given disciplinary context or topic-specific 'episode'. Although the RoLI has been employed as a research instrument in a number of published studies on the modelling of student learning in higher…

  18. Recent development of hyperspectral LiDAR using supercontinuum laser

    NASA Astrophysics Data System (ADS)

    Wang, Zhen; Li, Chuanrong; Zhou, Mei; Zhang, Huijing; He, Wenjing; Li, Wei; Qiu, Yuanyuan

    2016-10-01

    Hyperspectral Light Detection And Ranging (Hyperspectral LiDAR), a recently developed technique, combines the advantages of the LiDAR and hyperspectral imaging and has been attractive for many applications. Supercontinuum laser (SC laser), a rapidly developing technique offers hyperspectral LiDAR a suitable broadband laser source and makes hyperspectral Lidar become an installation from a theory. In this paper, the recent research and progressing of the hyperspectral LiDAR are reviewed. The hyperspectral LiDAR has been researched in theory, prototype system, instrument, and application experiment. However, the pulse energy of the SC laser is low so that the range of the hyperspectral LiDAR is limited. Moreover, considering the characteristics of sensors and A/D converter, in order to obtain the full waveform of the echo, the repetition rate and the pulse width of the SC laser needs to be limited. Recently, improving the detection ability of hyperspectral LiDAR, especially improving the detection range, is a main research area. A higher energy pulse SC laser, a more sensitive sensor, or some algorithms are applied in hyperspectral LiDAR to improve the detection distance from 12 m to 1.5 km. At present, a lot of research has been focused on this novel technology which would be applied in more applications.

  19. Praseodymium-doped Ti:LiNbO3 waveguides

    NASA Astrophysics Data System (ADS)

    Baumann, I.; Cusso, F.; Herreros, B.; Holzbrecher, H.; Paulus, H.; Schäfer, K.; Sohler, W.

    The incorporation of praseodymium into LiNbO3 by diffusion doping is investigated by means of secondary neutral mass spectrometry and secondary ion mass spectrometry. The diffusion of praseodymium in LiNbO3 can be described by Fick's laws of diffusion with a concentration-independent diffusion coefficient and a limited solubility of praseodymium in LiNbO3 increasing exponentially with rising temperature. The diffusion depends on the Li2O content of the LiNbO3 crystal. For LiNbO3 crystals with a nominal slight difference in the congruent composition, the diffusion constants and activation energies for Z-cut LiNbO3 are 3.28×10-5 cm2/s and 2.27 eV, and 1.39×10-5 cm2/s and 2.24 eV, respectively. Titanium-doped waveguides are formed in Pr:LiNbO3 and characterised in relation to waveguide loss and absorption in the visible and near infrared.

  20. Group 31 and Group 34 Li-ion Battery Specification

    DTIC Science & Technology

    2011-02-08

    Unclassified 1 Unclassified United States Army Group 31 and Group 34 Li- ion Battery Specification US Army TARDEC Energy Storage Team...7 1.1.17 Standard Battery Charger ...Requirements The following are requirements for the Li ion rechargeable battery conforming to the Group 31 and Group 34 form factor. These are based on

  1. Understanding oxygen reactions in aprotic Li-O2 batteries

    NASA Astrophysics Data System (ADS)

    Shunchao, Ma; Yelong, Zhang; Qinghua, Cui; Jing, Zhao; Zhangquan, Peng

    2016-01-01

    Although significant progress has been made in many aspects of the emerging aprotic Li-O2 battery system, an in-depth understanding of the oxygen reactions is still underway. The oxygen reactions occurring in the positive electrode distinguish Li-O2 batteries from the conventional Li-ion cells and play a crucial role in the Li-O2 cell’s performance (capacity, rate capability, and cycle life). Recent advances in fundamental studies of oxygen reactions in aprotic Li-O2 batteries are reviewed, including the reaction route, kinetics, morphological evolution of Li2O2, and charge transport within Li2O2. Prospects are also provided for future fundamental investigations of Li-O2 chemistry. Project supported by the Recruitment Program of Global Youth Experts of China, the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA09010401), the Science and Technology Development Program of Jilin Province, China (Grant No. 20150623002TC), and the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20131139).

  2. Nanostructured Materials for Li-Ion Batteries and Beyond.

    PubMed

    Li, Xifei; Sun, Xueliang

    2016-04-07

    This Special Issue "Nanostructured Materials for Li-Ion Batteries and Beyond" of Nanomaterials is focused on advancements in the synthesis, optimization, and characterization of nanostructured materials, with an emphasis on the application of nanomaterials for building high performance Li-ion batteries (LIBs) and future systems.[...].

  3. [MECHANISMS OF THE EFFECT OF Li+ ON MYOCARDIUM OF VERTEBRATES].

    PubMed

    Shemarova, I V; Korotkov, S M; Nesterov, V P

    2015-01-01

    The effect of Li+ on the frog Rana temporaria myocardium and its influence on the ion transport in the rat heart mitochondria (RHM) were studied. Li+ added to the normal Ringer solution (Li(+)-R) was found to attenuate myocardial tension, decrease the maximal rate of tension development and its half-relaxation time. Comparison of the cardiac muscle contraction parameters in the Li(+)-R with the effect of the voltage-gated Ca(2+)-channels (Cav1.2), verapamil and CdCl2, showed that the negative inotropic effect of the Na+ replacement by Li+ in the limited intermembrane ("fuzzy") space is underlain by the blocking of Ca2+ influx into the myoplasm via the reverse Ca2+/Na(+)-exchanger in the plasma membrane (PM). This, in turn, prevents Ca(2+)-induced massive Ca2+ release into the myoplasm via the RYR2-channels in the sarcoplasmic reticulum (SR) leading in aggregate to suppression of Ca(2+)-dependent myocardial contractions. In the experimental studies of the Li+ effect on the RHM it was established that Li+ just slightly increases the passive permeability of the inner mitochondrial membrane (IMM) for K+ and H+ and decreases the intensity of ion pumping out of the energized mitochondrial matrix to the external medium. This may also indicate the lack of relationship between the mitochondrial oxidative processes and the reduction in the myocardial contractile activity under the Na+ replacement by Li+.

  4. An Update on C458 AI-Li for Cryotanks

    NASA Technical Reports Server (NTRS)

    Babel, Henry W.; Rioja, Roberto; Jata, Kumar

    2003-01-01

    This viewgraph representation provides an overview of ongoing research being conducted on C458 Al-Li composite cryotanks. Topics covered include: structural design of C458 Al-Li cryotanks, C458 ingot casting capability, C458 plate properties, summary of attained properties, design database capabilities, fatigue tests and testing, and ongoing research projects.

  5. Oxygen Luminescence Centers in LiF-MeO Crystals

    NASA Astrophysics Data System (ADS)

    Lisitsyna, L. A.; Suleimen, R. N.

    2017-08-01

    Spectral-kinetic parameters of luminescence of LiF crystals doped with various polyvalent metal oxides (Li, Ti, Fe, W, U) were studied in the temperature range of 100-300 K and the absorbed doses range of 0-105 Gy. A model for describing polyvalent activation cation role in the processes of radiation energy dissipation in the crystal volume is suggested.

  6. Superconductivity in Li-doped α-rhombohedral boron

    NASA Astrophysics Data System (ADS)

    Nagatochi, T.; Hyodo, H.; Sumiyoshi, A.; Soga, K.; Sato, Y.; Terauchi, M.; Esaka, F.; Kimura, K.

    2011-05-01

    Metal transition and superconductivity were observed in Li-doped α-rhombohedral boron (α-B12). The authors have established a purification method and obtained a large amount of high-purity α-B12 powder. Li doping into purified α-B12 was attempted by vapor diffusion processing (VDP) in a Mo or Ta tube. Li-doped α-B12 contained metallic glittering particles. Meissner effects were observed in such a compound with the nominal composition LixB12 (x = 1.0, 1.4, 1.5, 1.7, or 2.5) (Tc = 3.2-7 K). As for Li2.5B12, the temperature dependence of its electrical conductivity indicates a metallic character and its electrical resistivity drop is detected near the Meissner temperature. The existence of Li and Fermi edges in Li-doped α-B12 crystals was verified by transmission electron microscopy-electron energy loss spectroscopy (TEM-EELS). Lattice expansion, which is a well-known indicator of metal doping into a crystal, was also observed. Thus, Li doping into α-B12 was successfully achieved. Our work also suggests that it is possible to dope a larger amount of Li into α-B12 and to increase its Tc.

  7. LiDAR - An emerging tool for geological applications

    USGS Publications Warehouse

    Stoker, Jason M.

    2012-01-01

    Over the past five to ten years the use and applicability of light detection and ranging (LiDAR) technology has increased dramatically. As a result, more and more LiDAR data now are being collected across the country for a wide range of applications, and LiDAR currently is the technology of choice for high resolution terrain model creation, 3-D city and infrastructure modeling, forestry, and a wide range of scientific applications. LiDAR is a key technology for geological applications both within and outside the U.S. Geological Survey, and efforts are underway to try to collect high resolution LiDAR data for the entire United States (https://pubs.usgs.gov/fs/2012/3089/pdf/fs2012-3089.pdf).

  8. Polymer electrolytes for a rechargeable li-Ion battery

    SciTech Connect

    Argade, S.D.; Saraswat, A.K.; Rao, B.M.L.; Lee, H.S.; Xiang, C.L.; McBreen, J.

    1996-10-01

    Lithium-ion polymer electrolyte battery technology is attractive for many consumer and military applications. A Li{sub x}C/Li{sub y}Mn{sub 2}O{sub 4} battery system incorporating a polymer electrolyte separator base on novel Li-imide salts is being developed under sponsorship of US Army Research Laboratory (Fort Monmouth NJ). This paper reports on work currently in progress on synthesis of Li-imide salts, polymer electrolyte films incorporating these salts, and development of electrodes and cells. A number of Li salts have been synthesized and characterized. These salts appear to have good voltaic stability. PVDF polymer gel electrolytes based on these salts have exhibited conductivities in the range 10{sup -4} to 10{sub -3} S/cm.

  9. Recombination luminescence from electron-irradiated Li-diffused Si

    NASA Technical Reports Server (NTRS)

    Johnson, E. S.; Compton, W. D.; Noonan, J. R.; Streetman, B. G.

    1973-01-01

    Lithium doping has a dramatic effect on the low-temperature photoluminescence of electron-irradiated Si. In oxigen-lean Si with Li doping, a new irradiation-dependent luminescence band between 0.75 and 1.05 eV is observed, which is dominated by a zero-phonon peak at 1.045 eV. This band is believed to be due to radiative transitions involving a Li-modified divacancy. This band is present also in oxygen-rich, Li-diffused Si and is accompanied by bands previously related to the Si-G15(K) center and the divacancy. The intensities of the Li-modified divacancy and Si-G15(K) center bands are relatively weak in the oxygen-rich material, apparently due to the formation of lithium-oxygen complexes which reduce the concentration of unassociated interstitial Li and O.

  10. Reversible storage of hydrogen in destabilized LiBH4.

    PubMed

    Vajo, John J; Skeith, Sky L; Mertens, Florian

    2005-03-10

    Destabilization of LiBH4 for reversible hydrogen storage has been studied using MgH2 as a destabilizing additive. Mechanically milled mixtures of LiBH4 + (1/2)MgH2 or LiH + (1/2)MgB2 including 2-3 mol % TiCl3 are shown to reversibly store 8-10 wt % hydrogen. Variation of the equilibrium pressure obtained from isotherms measured at 315-400 degrees C indicate that addition of MgH2 lowers the hydrogenation/dehydrogenation enthalpy by 25 kJ/(mol of H2) compared with pure LiBH4. Formation of MgB2 upon dehydrogenation stabilizes the dehydrogenated state and, thereby, destabilizes the LiBH4. Extrapolation of the isotherm data yields a predicted equilibrium pressure of 1 bar at approximately 225 degrees C. However, the kinetics were too slow for direct measurements at these temperatures.

  11. Recombination luminescence from electron-irradiated Li-diffused Si

    NASA Technical Reports Server (NTRS)

    Johnson, E. S.; Compton, W. D.; Noonan, J. R.; Streetman, B. G.

    1973-01-01

    Lithium doping has a dramatic effect on the low-temperature photoluminescence of electron-irradiated Si. In oxigen-lean Si with Li doping, a new irradiation-dependent luminescence band between 0.75 and 1.05 eV is observed, which is dominated by a zero-phonon peak at 1.045 eV. This band is believed to be due to radiative transitions involving a Li-modified divacancy. This band is present also in oxygen-rich, Li-diffused Si and is accompanied by bands previously related to the Si-G15(K) center and the divacancy. The intensities of the Li-modified divacancy and Si-G15(K) center bands are relatively weak in the oxygen-rich material, apparently due to the formation of lithium-oxygen complexes which reduce the concentration of unassociated interstitial Li and O.

  12. On the relative abundance of LiH and LiH+ molecules in the early universe: new results from quantum reactions

    NASA Astrophysics Data System (ADS)

    Bovino, S.; Tacconi, M.; Gianturco, F.

    2011-05-01

    The chemistry of Li in the early universe has been discussed in the past, reaching contrasting conclusions (see e.g., SLD96; BG97; GP98; Vonlanthen et al. 2009). Of critical relevance, is the uncertainty in the knowledge of reliable reaction rates for the destruction of LiH and LiH^+ molecules formed by radiative recombination (Dickinson & Gadéa 2000) via strongly exothermic reactions without entrance barriers: LiH + H → Li + H_2 LiH + H^+ → Li + H_2^+ and LiH^+ + H → Li^+ + H_2. Therefore, it is an accurate knowledge of the reaction rates for the above processes, at low redshift values, that can ultimately tell us what the end-role of the LiH/LiH^+ systems could be as efficient coolants under early universe conditions. The task of the present work is to show that the reaction rates recently determined from fully ab-initio quantum methods (Bovino et al. 2009, 2010a, 2010b), which also employ accurate interaction forces between partners, have a significant impact on the evolution of LiH and LiH^+ during the post-recombination era of the early universe. We shall further show that a more realistic description of the rates for a neutralization process LiH^+ + e^- → Li + H could substantially change the relative abundance of the ionic molecular species.

  13. A High-Performance Li-O2 Battery with a Strongly Solvating Hexamethylphosphoramide Electrolyte and a LiPON-Protected Lithium Anode.

    PubMed

    Zhou, Bin; Guo, Limin; Zhang, Yantao; Wang, Jiawei; Ma, Lipo; Zhang, Wen-Hua; Fu, Zhengwen; Peng, Zhangquan

    2017-08-01

    The aprotic Li-O2 battery has attracted a great deal of interest because theoretically it can store more energy than today's Li-ion batteries. However, current Li-O2 batteries suffer from passivation/clogging of the cathode by discharged Li2 O2 , high charging voltage for its subsequent oxidation, and accumulation of side reaction products (particularly Li2 CO3 and LiOH) upon cycling. Here, an advanced Li-O2 battery with a hexamethylphosphoramide (HMPA) electrolyte is reported that can dissolve Li2 O2 , Li2 CO3 , and LiOH up to 0.35, 0.36, and 1.11 × 10(-3) m, respectively, and a LiPON-protected lithium anode that can be reversibly cycled in the HMPA electrolyte. Compared to the benchmark of ether-based Li-O2 batteries, improved capacity, rate capability, voltaic efficiency, and cycle life are achieved for the HMPA-based Li-O2 cells. More importantly, a combination of advanced research techniques provide compelling evidence that operation of the HMPA-based Li-O2 battery is backed by nearly reversible formation/decomposition of Li2 O2 with negligible side reactions. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Solution-processable glass LiI-Li4SnS4 superionic conductors for all-solid-state Li-ion batteries

    SciTech Connect

    Kern Ho Park; Oh, Dae Yang; Choi, Young Eun; Nam, Young Jin; Han, Lili; Kim, Ju -Young; Xin, Huolin; Lin, Feng; Oh, Seung M.; Jung, Yoon Seok

    2015-12-22

    The new, highly conductive (4.1 × 10–4 S cm–1 at 30 °C), highly deformable, and dry-air-stable glass 0.4LiI-0.6Li4SnS4 is prepared using a homogeneous methanol solution. Furthermore, the solution process enables the wetting of any exposed surface of the active materials with highly conductive solidified electrolytes (0.4LiI-0.6Li4SnS4), resulting in considerable improvements in electrochemical performances of these electrodes over conventional mixture electrodes.

  15. Structural characterization of slightly boron-deficient LiB, LiB0.9 and LiB0.8, under pressure.

    PubMed

    Suarez-Alcubilla, Ainhoa; Gurtubay, Idoia G; Bergara, Aitor

    2014-11-26

    Results of computational investigations of two slightly boron-deficient lithium borides, LiB(0.9) and LiB(0.8), under pressure are reported. Structure predictions based on particle swarm optimization reveal that at low pressure both compositions adopt chain structures, as stoichiometric 1 : 1 LiB. With increasing pressure both undergo phase transitions to layered arrangements. The evolution of the structural parameters of these stoichiometries as a function of pressure and the results obtained from the enthalpies indicate that boron-deficient structures are more favoured than 1 : 1 LiB, even at zero pressure. Moreover, as pressure is increased a larger deficiency in B seems to be favoured.

  16. Comparison between the low temperature thermoluminescence spectra in annealed LiF:Mg,Cu, LiF:Mg,Cu,P and LiF:Mg,Cu,Si

    NASA Astrophysics Data System (ADS)

    Yang, B.; Wang, L.; Townsend, P. D.; Gao, H.

    2008-06-01

    Two strong thermal peaks in the wavelength range 220-420 nm have been detected at 128 and 140 K in LiF:Mg,Cu, at 123 and 135 K in LiF:Mg,Cu,P and at 125 and 133 K in LiF:Mg,Cu,Si, respectively. The origin of these main TL peaks is discussed in terms of defect perturbed H-F and VK-e type recombination, respectively. The relative intensity between the two peaks in each sample and the emission spectra are dependent on the dopants. Annealing at 240-390 °C can modify the low temperature TL features, especially in those samples doped with three impurities. The low temperature data give some clues to select most favourable dopants for future LiF-type dosimeters.

  17. Fast Li ion dynamics in the solid electrolyte Li7 P3 S11 as probed by (6,7) Li NMR spin-lattice relaxation.

    PubMed

    Wohlmuth, Dominik; Epp, Viktor; Wilkening, Martin

    2015-08-24

    The development of safe and long-lasting all-solid-state batteries with high energy density requires a thorough characterization of ion dynamics in solid electrolytes. Commonly, conductivity spectroscopy is used to study ion transport; much less frequently, however, atomic-scale methods such as nuclear magnetic resonance (NMR) are employed. Here, we studied long-range as well as short-range Li ion dynamics in the glass-ceramic Li7 P3 S11 . Li(+) diffusivity was probed by using a combination of different NMR techniques; the results are compared with those obtained from electrical conductivity measurements. Our NMR relaxometry data clearly reveal a very high Li(+) diffusivity, which is reflected in a so-called diffusion-induced (6) Li NMR spin-lattice relaxation peak showing up at temperatures as low as 313 K. At this temperature, the mean residence time between two successful Li jumps is in the order of 3×10(8) s(-1) , which corresponds to a Li(+) ion conductivity in the order of 10(-4) to 10(-3) S cm(-1) . Such a value is in perfect agreement with expectations for the crystalline but metastable glass ceramic Li7 P3 S11 . In contrast to conductivity measurements, NMR analysis reveals a range of activation energies with values ranging from 0.17 to 0.26 eV, characterizing Li diffusivity in the bulk. In our case, through-going Li ion transport, when probed by using macroscopic conductivity spectroscopy, however, seems to be influenced by blocking grain boundaries including, for example, amorphous regions surrounding the Li7 P3 S11 crystallites. As a result of this, long-range ion transport as seen by impedance spectroscopy is governed by an activation energy of approximately 0.38 eV. The findings emphasize how surface and grain boundary effects can drastically affect long-range ionic conduction. If we are to succeed in solid-state battery technology, such effects have to be brought under control by, for example, sophisticated densification or through the preparation

  18. Relaxation-Induced Memory Effect of LiFePO4 Electrodes in Li-Ion Batteries.

    PubMed

    Jia, Jianfeng; Tan, Chuhao; Liu, Mengchuang; Li, De; Chen, Yong

    2017-07-26

    In Li-ion batteries, memory effect has been found in several commercial two-phase materials as a voltage bump and a step in the (dis)charging plateau, which delays the two-phase transition and influences the estimation of the state of charge. Although memory effect has been first discovered in olivine LiFePO4, the origination and dependence are still not clear and are critical for regulating the memory effect of LiFePO4. Herein, LiFePO4 has been synthesized by a home-built spray drying instrument, of which the memory effect has been investigated in Li-ion batteries. For as-synthesized LiFePO4, the memory effect is significantly dependent on the relaxation time after phase transition. Besides, the voltage bump of memory effect is actually a delayed voltage overshooting that is overlaid at the edge of stepped (dis)charging plateau. Furthermore, we studied the kinetics of LiFePO4 electrode with electrochemical impedance spectroscopy (EIS), which shows that the memory effect is related to the electrochemical kinetics. Thereby, the underlying mechanism has been revealed in memory effect, which would guide us to optimize two-phase electrode materials and improve Li-ion battery management systems.

  19. Kinetic measurement and prediction of the hydrogen outgassing from the polycrystalline LiH/LiOH system

    SciTech Connect

    Dinh, L N; Grant, D M; Schildbach, M A; Smith, R A; Leckey, J H; Siekhaus, W J; Balazs, B; McLean II, W

    2005-03-09

    In this report, we present the use of temperature programmed reaction/decomposition (TPR) in the isoconversion mode to measure outgassing kinetics and to make kinetic prediction concerning hydrogen release from the polycrystalline LiH/LiOH system in the absence of any external H{sub 2}O source.

  20. The properties of and analytical methods for detection of LiOH and Li2CO3

    NASA Technical Reports Server (NTRS)

    Selvaduray, Guna

    1991-01-01

    Lithium hydroxide (LiOH) is used as a CO2 absorbent in the Shuttle Extravehicular Mobility Unit (EMU) Portable Life Support System (PLSS). The first objective was to survey parameters that may be used to indicate conversion of LiOH to Li2CO3, and compile a list of all possible properties, including physical, chemical, structural, and electrical, that may serve to indicate the occurrence of reaction. These properties were compiled for the reactant (LiOH), the intermediate monohydrate compound (LiOH.H2O), and the final product (Li2CO3). The second objective was to survey measurement and analytical techniques which may be used in conjunction with each of the properties identified above, to determine the extent of conversion of LiOH to Li2CO3. Both real-time and post-run techniques were of interest. The techniques were also evaluated in terms of complexity, technology readiness, materials/equipment availability, and cost, where possible.

  1. The Use of Redox Mediators for Enhancing Utilization of Li2S Cathodes for Advanced Li-S Battery Systems.

    PubMed

    Meini, Stefano; Elazari, Ran; Rosenman, Ariel; Garsuch, Arnd; Aurbach, Doron

    2014-03-06

    The development of Li2S electrodes is a crucial step toward industrial manufacturing of Li-S batteries, a promising alternative to Li-ion batteries due to their projected two times higher specific capacity. However, the high voltages needed to activate Li2S electrodes, and the consequent electrolyte solution degradation, represent the main challenge. We present a novel concept that could make feasible the widespread application of Li2S electrodes for Li-S cell assembly. In this concept, the addition of redox mediators as additives to the standard electrolyte solution allows us to recover most of Li2S theoretical capacity in the activation cycle at potentials as low as 2.9 VLi, substantially lower than the typical potentials >4 VLi needed with standard electrolyte solution. Those novel additives permit us to preserve the electrolyte solution from being degraded, allowing us to achieve capacity as high as 500 mAhg(-1)Li2S after 150 cycles with no major structural optimization of the electrodes.

  2. Synthesis and characterization of PVA blended LiClO4 as electrolyte material for battery Li-ion

    NASA Astrophysics Data System (ADS)

    Gunawan, I.; Deswita; Sugeng, B.; Sudaryanto

    2017-07-01

    It have been synthesized the materials for Li ion battery electrolytes, namely PVA with the addition of LiClO4 salt were varied 0, 5, 10, 15 and 20% by weight respectively. The objective of this study is to control the ionic conductivity in traditional polymer electrolytes, to improve ionic conductivity with the addition of lithium perchlorat (LiClO4). These electrolyte materials prepared by PVA powder was dissolved into distilled water and added LiClO4 salt were varied. After drying the solution, PVA sheet blended LiClO4 salt as electrolyte material for Li ion battery obtained. PVA blended LiClO4 salt crystallite form was confirmed using X-Ray Difraction (XRD) equipment. Observation of the morphology done by using Scanning Electron Microscope (SEM). While the electrical conductivity of the material is measured using LCR meter. The results of XRD pattern of LiClO4 shows intense peaks at angles 2θ = 23.2, 32.99, and 36.58°, which represent the crystalline nature of the salt. Particles morphology of the sample revealed by scanning electron microscopy are irregular in shape and agglomerated, with mean size 200-300 nm. It can be concluded that polycrystalline particles are composed of large number of crystallites. The study of conductivity by using LCR meter shows that all the graphs represent the DC and AC conductivity phenomena.

  3. Optical waveguides in LiNbO3 and stoichiometric LiNbO3 crystals by proton exchange

    NASA Astrophysics Data System (ADS)

    Li, Shiling

    2008-10-01

    The formation of optical planar waveguides in LiNbO3 and stoichiometric LiNbO3 crystals by proton exchange was reported. The prism-coupling method was used to characterize the dark-line spectroscopy at the wavelength of 633 and 1539 nm, respectively. The mode optical near-field outputs from proton-exchanged LiNbO3 and SLN waveguides at 633 nm were presented. The mode field from stoichiometric LiNbO3 (SLN) waveguide is lighter and more uniform than that from LiNbO3 waveguide, which means the quality of the waveguide in SLN crystal is better than that of the LiNbO3 waveguide. For proton-exchanged LiNbO3 waveguides, the evolution of the refractive index profile with annealing was presented. The disorder profiles of Nb atoms in proton-exchanged LiNbO3 waveguides were obtained by Rutherford backscattering/channeling technique. It is shown that the longer the exchange time, the larger the displacement of Nb atoms.

  4. Dynamic studies of {sup 11}Li and its core {sup 9}Li on {sup 208}Pb near the Coulomb barrier

    SciTech Connect

    Cubero, M.; Borge, M. J. G.; Alcorta, M.; Madurga, M.; Tengblad, O.; Acosta, L.; Martel, I.; Sanchez-Benitez, A. M.; Alvarez, M. A. G.; Gomez-Camacho, J.; Diget, C.; Galaviz, D.; Fernandez-Garcia, J. P.; Lay, J. A.; Moro, A. M.; Mukha, I.; Shotter, A.; Walden, P.

    2010-04-26

    We measured the scattering of the halo nucleus {sup 11}Li and its core {sup 9}Li on the lead target at TRIUMF at energies below and around to the Coulomb barrier. We report here on our preliminary analysis of the inclusive breakup reaction.

  5. Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte

    NASA Astrophysics Data System (ADS)

    Zhu, Jinlong; Li, Shuai; Zhang, Yi; Howard, John W.; Lü, Xujie; Li, Yutao; Wang, Yonggang; Kumar, Ravhi S.; Wang, Liping; Zhao, Yusheng

    2016-09-01

    Cubic anti-perovskites with general formula Li3OX (X = Cl, Br, I) were recently reported as superionic conductors with the potential for use as solid electrolytes in all-solid-state lithium ion batteries. These electrolytes are nonflammable, low-cost, and suitable for thermoplastic processing. However, the primary obstacle of its practical implementation is the relatively low ionic conductivity at room temperature. In this work, we synthesized a composite material consisting of two anti-perovskite phases, namely, cubic Li3OBr and layered Li7O2Br3, by solid state reaction routes. The results indicate that with the phase fraction of Li7O2Br3 increasing to 44 wt. %, the ionic conductivity increased by more than one order of magnitude compared with pure phase Li3OBr. Formation energy calculations revealed the meta-stable nature of Li7O2Br3, which supports the great difficulty in producing phase-pure Li7O2Br3 at ambient pressure. Methods of obtaining phase-pure Li7O2Br3 will continue to be explored, including both high pressure and metathesis techniques.

  6. Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte

    DOE PAGES

    Zhu, Jinlong; Li, Shuai; Zhang, Yi; ...

    2016-09-07

    Cubic anti-perovskites with general formula Li3OX (X = Cl, Br, I) were recently reported as superionic conductors with the potential for use as solid electrolytes in all-solid-state lithium ion batteries. These electrolytes are nonflammable, low-cost, and suitable for thermoplastic processing. However, the primary obstacle of its practical implementation is the relatively low ionic conductivity at room temperature. In this work, we synthesized a composite material consisting of two anti-perovskite phases, namely, cubic Li3OBr and layered Li7O2Br3, by solid state reaction routes. The results indicate that with the phase fraction of Li7O2Br3 increasing to 44 wt. %, the ionic conductivity increasedmore » by more than one order of magnitude compared with pure phase Li3OBr. Formation energy calculations revealed the meta-stable nature of Li7O2Br3, which supports the great difficulty in producing phase-pure Li7O2Br3 at ambient pressure. Here, methods of obtaining phase-pure Li7O2Br3 will continue to be explored, including both high pressure and metathesis techniques.« less

  7. Elucidation and Comparison of the Effect of LiTFSI and LiNO3 Salts on Discharge Chemistry in Nonaqueous Li-O2 Batteries.

    PubMed

    Iliksu, Merve; Khetan, Abhishek; Yang, Shuo; Simon, Ulrich; Pitsch, Heinz; Sauer, Dirk Uwe

    2017-06-07

    The role of lithium salts in determining the discharge capacity of Li-O2 batteries has been highlighted in several recent studies; however, questions pertaining to their effect on the cathode surface and in the solution phase still remain unanswered. We conducted galvanostatic discharge experiments with different compositions of a binary mixture of 1 M of LiNO3 and LiTFSI in tetraglyme (TEGDME) as the electrolyte and analyzed the discharge products using techniques such as FT-IR, Raman spectroscopy, and SEM. It was observed that there is a nonlinear correlation between the electrolyte composition and the first discharge capacity, with the highest discharge capacity achieved with the electrolyte composition as 0.75 M LiNO3 and 0.25 M LiTFSI. The ID/IG values obtained from Raman spectroscopy, which represent the degree of order in the carbon cathode surface, were found to be correlated to the measured capacity. Our results indicate that at concentrations of LiNO3 higher than 0.75 M in the electrolyte, nitrogen doping of the carbon surface reaches a critical limit, beyond which it becomes unfavorable for the discharge process. On the other hand, decomposition of the electrolyte and formation of an amorphous layer on the cathode surface was found to intensify with increasing LiTFSI concentration. Our results show that the maximum discharge capacity of the cells is strongly dependent on the surface structure of the carbon cathode, which in turn is heavily influenced by the electrolyte composition. Classical molecular dynamics simulations of the same system indicated no such nonlinearity in the co-ordination of Li(+) ions with respect to electrolyte composition, indicating that the ionic association strength of the anion may have only a limited effect.

  8. Pressure-induced ferroelectric to paraelectric transition in LiTaO3 and (Li,Mg)TaO3

    DOE PAGES

    Yamanaka, Takamitsu; Nakamoto, Yuki; Takei, Fumihiko; ...

    2016-02-16

    X-ray powder diffraction and Raman scattering of LiTaO3 (LT) and (Li,Mg)TaO3 (LMT) have been measured under pressure up to 46 GPa. Above 30 GPa, the ferroelectric rhombohedral phase (R3c, Z – 6) of LiTaO3 transforms to a paraelectric orthorhombic phase (Pnma with Z – 4) with a large hysteresis. Rietveld profile fitting analysis shows that the Li-O bond is compressed and approaches that of Ta-O with pressure. The cation distribution analysis of the orthorhombic perovskite structure shows that Li and Ta are located in the octahedral 8-fold coordination sites. Difference Fourier |Fobs(hkl)| - |Fcal(hkl)| maps of LiTaO3 and (Li,Mg)TaO3 indicatemore » polarization in the c axis direction and a more distinct electron density distribution around the Ta position for (Li,Mg)TaO3 compared to LiTaO3. The observed effective charges indicate that for (Li,Mg)TaO3 without vacancies Ta5+ becomes less ionized as a function of Mg substitution. Considering both site occupancy and effective charge analysis, Ta5+ is reduced to Ta4.13+. Mg2+ and O2- change to Mg1.643+ and O1.732 -, respectively. The space- and time-averaged structures of the dynamical vibration of atoms can be elucidated from the electron density analysis by difference Fourier and temperature factors T(hkl) in the structure refinement. The refinement of the temperature factor is consistent with the cation distribution assuming full stoichiometry. The residual electron density induced from the excess electron in (Li,Mg)TaO3 indicates more electrons around the Ta site, as confirmed by the effective charge analysis. Raman spectra of LiTaO3 and (Li,Mg)TaO3 show notable changes over the measured pressure range. Raman peaks centered at 250 cm–1 and 350 cm–1 at ambient pressure merge above 8 GPa, which we associate with the diminishing of difference in distances between Li-O and Ta-O bonds with pressure in both materials. Finally, Raman spectra show significant changes at 28 GPa and 33 GPa for LT and LMT

  9. The {sup 9}Be({sup 8}Li,{sup 9}Be){sup 8}Li elastic-transfer reaction

    SciTech Connect

    Camargo, O.; Guimaraes, V.; Lichtenthaeler, R.; Scarduelli, V.; Kolata, J. J.; Bertulani, C. A.; Amro, H.; Becchetti, F. D.; Jiang Hao; Aguilera, E. F.; Lizcano, D.; Martinez-Quiroz, E.; Garcia, H.

    2008-09-15

    Angular distributions for the {sup 9}Be({sup 8}Li,{sup 9}Be){sup 8}Li elastic-transfer reaction have been measured with a 27-MeV {sup 8}Li radioactive nuclear beam. Spectroscopic factors for the <{sup 9}Be|{sup 8}Li+p> bound system were obtained from the comparison between the experimental differential cross sections and finite-range distorted-wave Born approximation calculations made with the code FRESCO. The spectroscopic factors so obtained are compared with shell-model calculations and other experimental values. Using the present value for the spectroscopic factors, cross sections and reaction rates for the {sup 8}Li(p,{gamma}){sup 9}Be direct proton-capture reaction of astrophysical interest were calculated in the framework of the potential model.

  10. Performance study of commercial LiCoO 2 and spinel-based Li-ion cells

    NASA Astrophysics Data System (ADS)

    Ramadass, P.; Haran, Bala; White, Ralph; Popov, Branko N.

    The performance of Cell-Batt ® Li-ion cells and Sony 18650 cells using non-stoichiometric spinel and LiCoO 2, respectively, as positive electrode material has been studied under several modes of charging. During cycling, the cells were opened at intermittent cycles and extensive material and electrochemical characterization was done on the active material at both electrodes. Capacity fade of spinel-based Li-ion cells was attributed to structural degradation at the cathode and loss of active material at both electrodes due to electrolyte oxidation. For the Sony cells both primary (Li +) and secondary active material (LiCoO 2)/C) are lost during cycling.

  11. Facile molten salt synthesis of Li2NiTiO4 cathode material for Li-ion batteries

    PubMed Central

    2014-01-01

    Well-crystallized Li2NiTiO4 nanoparticles are rapidly synthesized by a molten salt method using a mixture of NaCl and KCl salts. X-ray diffraction pattern and scanning electron microscopic image show that Li2NiTiO4 has a cubic rock salt structure with an average particle size of ca. 50 nm. Conductive carbon-coated Li2NiTiO4 is obtained by a facile ball milling method. As a novel 4 V positive cathode material for Li-ion batteries, the Li2NiTiO4/C delivers high discharge capacities of 115 mAh g-1 at room temperature and 138 mAh g-1 and 50°C, along with a superior cyclability. PMID:24855459

  12. High precision measurement of the 11Li and 9Li quadrupole moment ratio using zero-field β-NQR

    NASA Astrophysics Data System (ADS)

    Voss, A.; Pearson, M. R.; Buchinger, F.; Crawford, J. E.; Kiefl, R. F.; Levy, C. D. P.; MacFarlane, W. A.; Mané, E.; Morris, G. D.; Shelbaya, O. T. J.; Song, Q.; Wang, D.

    2014-01-01

    The ratio of electric quadrupole moments of 11Li and 9Li was measured using the zero-field β-detected nuclear quadrupole resonance technique at Triumf-Isac. The precision on the ratio Q11/Q9 = 1.0775(12) was improved by more than one order of magnitude and an absolute value for the quadrupole moment of 11Li was inferred. Systematic effects, as argued here, are not expected to contribute to the ratio on this scale. The zero-field spin-lattice relaxation time for 8Li implanted within SrTiO3 at 295 K in zero-field was found to be T1 = 1.73(2) s. A comparison of the quadrupole moments of 9, 11Li and their ratio is made with the latest models, however, no conclusion may yet be drawn owing to the size of the theoretical uncertainties.

  13. Li atom adsorption on graphene with various defects for large-capacity Li ion batteries: First-principles calculations

    NASA Astrophysics Data System (ADS)

    Shiota, Kento; Kawai, Takazumi

    2017-06-01

    We investigated the fundamental properties of the interaction between a Li atom and a graphene surface with various defect structures by first-principles electronic state calculations to improve the capacity and charge rate of a graphitic anode for Li ion battery applications. The adsorption energy tends to decrease as the number of deficit carbon atoms at a neighboring defect increases even for adsorption at a hexagonal ring (HR) away from defects, although the interaction between a Li adatom and an HR is similar independent of the defect structure. The reason for the change in adsorption energy is the electronic charge transfer from the Li 2s-like state to the defect-induced state near the Fermi level. We also found that a Li atom diffuses through a V6 defect without a diffusion barrier practically.

  14. The 7Li(d, p)8Li reaction in inverse kinematics at 5.44 MeV/u

    NASA Astrophysics Data System (ADS)

    Pakou, A.; Keeley, N.; Cappuzzello, F.; Acosta, L.; Agodi, C.; Aslanoglou, X.; Calabrese, S.; Carbone, D.; Cavallaro, M.; Foti, A.; Marquínez-Durán, G.; Martel, I.; Mazzocco, M.; Parascandolo, C.; Pierroutsakou, D.; Rusek, K.; Sgouros, O.; Soukeras, V.; Strano, E.; Zagatto, V. A. B.

    2017-08-01

    New data are presented for the 7Li(d, p)8Li stripping reaction which, together with previously reported elastic scattering data taken in the same experiment, provide a coherent set. These data, plus existing measurements of the elastic scattering and stripping at 6MeV/u were analysed within the same coupled reaction channels scheme. Good descriptions of the stripping data to the 0.0MeV 2^+ and 0.98MeV 1^+ states of 8Li were obtained using a set of < ^8Li| ^7Li + n〉 overlaps taken from the literature, provided that the elastic scattering was also well described. Multi-step reaction paths made significant contributions to the description of the larger angle data. The asymptotic normalisation coefficients are compared with previous determinations.

  15. Facile molten salt synthesis of Li2NiTiO4 cathode material for Li-ion batteries.

    PubMed

    Wang, Yanming; Wang, Yajing; Wang, Fei

    2014-01-01

    Well-crystallized Li2NiTiO4 nanoparticles are rapidly synthesized by a molten salt method using a mixture of NaCl and KCl salts. X-ray diffraction pattern and scanning electron microscopic image show that Li2NiTiO4 has a cubic rock salt structure with an average particle size of ca. 50 nm. Conductive carbon-coated Li2NiTiO4 is obtained by a facile ball milling method. As a novel 4 V positive cathode material for Li-ion batteries, the Li2NiTiO4/C delivers high discharge capacities of 115 mAh g(-1) at room temperature and 138 mAh g(-1) and 50°C, along with a superior cyclability.

  16. Solid solution Li2MoO4 - Li2WO4 crystal growth and characterization

    NASA Astrophysics Data System (ADS)

    Barinova, Olga; Sadovskiy, Andrey; Ermochenkov, Ivan; Kirsanova, Svetlana; Khomyakov, Andrew; Zykova, Marina; Kuchuk, Zhanna; Avetissov, Igor

    2017-06-01

    Solid solution Li2Mo1-XWXO4 crystals were grown from two different melts (X=0.85 and 0.95) by Czochralski technique. The crystals were colorless and transparent within 300-1100 nm wavelength range. They had dimensions of 25 mm diameter and 100 mm length. The crystal grown from the X=0.85 melt had an inhomogeneous composition which varied from 0.65 to 0.88. The crystal grown from the X=0.95 melt had a uniform distribution of X, corresponding to the average Li2Mo0.08W0.92O4 composition. Both crystals belong to a phenacite-type structure and they were characterized by X-ray diffraction, Raman and IR-spectroscopy.

  17. Line Lists for LiF and LiCl in the X^{1}Σ^{+} State

    NASA Astrophysics Data System (ADS)

    Bittner, Dror M.; Bernath, Peter F.

    2017-06-01

    Alkali-containing molecules are expected to be present in the atmospheres of exoplanets such as rocky super-Earths as well as in cool dwarf stars. Line lists for LiF and LiCl in their X^{1}Σ^{+} ground states have been calculated using LeRoy's LEVEL program. The potential energy functions, including the effects of the breakdown of the Born-Oppenheimer approximation, are obtained by direct fitting the experimental infrared vibration-rotation and microwave pure rotation data with extended Morse oscillator potentials using LeRoy's dPotFit program. The transition dipole matrix elements and line intensities were obtained with LEVEL using a dipole moment function from a high level ab initio calculation. Phil. Trans. R. Soc. A 372, 20130087 (2014) Astrophys. J. 519, 793 (1999) J. Quant. Spectrosc. Radiat. Transfer 186, 167 (2017) J. Quant. Spectrosc. Radiat. Transfer 186, 179 (2017)

  18. Ultrathin coatings on nano-LiCoO2 for Li-ion vehicular applications.

    PubMed

    Scott, Isaac D; Jung, Yoon Seok; Cavanagh, Andrew S; Yan, Yanfa; Dillon, Anne C; George, Steven M; Lee, Se-Hee

    2011-02-09

    To deploy Li-ion batteries in next-generation vehicles, it is essential to develop electrodes with durability, high energy density, and high power. Here we report a breakthrough in controlled full-electrode nanoscale coatings that enables nanosized materials to cycle with durable high energy and remarkable rate performance. The nanoparticle electrodes are coated with Al(2)O(3) using atomic layer deposition (ALD). The coated nano-LiCoO(2) electrodes with 2 ALD cycles deliver a discharge capacity of 133 mAh/g with currents of 1400 mA/g (7.8C), corresponding to a 250% improvement in reversible capacity compared to bare nanoparticles (br-nLCO), when cycled at this high rate. The simple ALD process is broadly applicable and provides new opportunities for the battery industry to design other novel nanostructured electrodes that are highly durable even while cycling at high rate.

  19. LiCl Dehumidifier LiBr absorption chiller hybrid air conditioning system with energy recovery

    DOEpatents

    Ko, Suk M.

    1980-01-01

    This invention relates to a hybrid air conditioning system that combines a solar powered LiCl dehumidifier with a LiBr absorption chiller. The desiccant dehumidifier removes the latent load by absorbing moisture from the air, and the sensible load is removed by the absorption chiller. The desiccant dehumidifier is coupled to a regenerator and the desiccant in the regenerator is heated by solar heated hot water to drive the moisture therefrom before being fed back to the dehumidifier. The heat of vaporization expended in the desiccant regenerator is recovered and used to partially preheat the driving fluid of the absorption chiller, thus substantially improving the overall COP of the hybrid system.

  20. Resonant charge transfer in slow Li+-Li(2s) collisions

    NASA Astrophysics Data System (ADS)

    Li, Tie-Cheng; Liu, Chun-Hua; Qu, Yi-Zhi; Liu, Ling; Wu, Yong; Wang, Jian-Guo; P. Liebermann, H.; J. Buenker, R.

    2015-10-01

    The resonant charge transfer process for Li+-Li(2s) collision is investigated by the quantum-mechanical molecular orbital close-coupling (QMOCC) method and the two-center atomic-orbital close-coupling (AOCC) method in an energy range of 1.0 eV/u-104 eV/u. Accurate molecular structure data and charge transfer cross sections are given. Both the all-electron model (AEM) and one-electron model (OEM) are used in the QMOCC calculations, and the discrepancies between the two models are analyzed. The OEM calculation can also give a reliable prediction of the cross sections for energies below 1 keV/u. Project supported by the National Natural Science Foundation of China (Grant Nos. 11179041, 11474032, and 11474033) and the NSAF (Grant No. U1330117).

  1. Low Temperature Milling of the LiNH2 + LiH Hydrogen Storage System

    SciTech Connect

    Osborn, William; Markmaitree, Tippawan; Shaw, Leonard D.; Hu, Jian Z.; Kwak, Ja Hun; Yang, Zhenguo

    2009-05-01

    Ball milling of the LiNH2 + LiH storage system was performed at 20°C, -40°C, and -196°C, and the resulting powders were analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM), nuclear magnetic resonance (NMR), specific surface area (SSA) analysis, and kinetics cycling measurements. Ball milling at -40°C showed no appreciable deviations from the 20°C sample, but the -196°C powder exhibited a significant increase in the hydrogen desorption kinetics. NMR analysis indicates that a possible explanation for the kinetics increase is the retention of internal defects generated during the milling process that are annealed at the collision site at higher milling temperatures.

  2. The ^12C(^7Li,^6Li)^13C Transfer Reaction

    NASA Astrophysics Data System (ADS)

    Bartosz, E. E.; Keeley, N.; Kemper, K. W.

    2001-04-01

    We present the first complete set of analysing powers, including all third rank ones, for a ^7Li induced transfer reaction. Data were obtained for transfers to the 1/2^-, 1/2^+ and 5/2^+ states of ^13C at 0.0, 3.09 and 3.85 MeV excitation energies respectively, induced by a 34 MeV polarised ^7Li beam. This experiment was motivated by the complete failure of previous DWBA and CCBA calculations to describe transfers to the 1/2^+ state (K.W. Kemper, et al./, Phys. Rev. C 38, 2664 (1988).). Extensive coupled-discretised-continuum-channels (CDCC) calculations using cluster-folding (CF) model form-factors have been carried out and show that the failure to describe the 1/2^+ data is not a result of a dynamical effect.

  3. Li and B Insights into Subduction Signatures in the Mantle

    NASA Astrophysics Data System (ADS)

    Ryan, J. G.; Savov, I. P.; Tonarini, S.

    2005-05-01

    Boron and lithium are powerful tracers of subducted materials in forearc and sub-arc mantle regions. Their isotopic systematics (δ11B and δ7Li) may be useful in identifying slab-mantle exchange processes and quantifying slab outfluxes. Early results for Li and B isotopes in basaltic lavas and mantle rocks suggest complexities in the transit of Li and B from slabs into different mantle domains. B contents and δ11B in forearc mantle rocks suggest early release of B from slabs and preferential removal of 11B, leading to low δ11B on deep or hot slabs, seen in some arc settings (i.e. Rose et al 2001; Bebout and Nakamura 2001; Leeman et al 2004). However, many arcs record δ 11B and B contents too high to explain via shallow removal, necessitating inputs of forearc mantle to arc sources (i.e., Straub and Layne, 2001). Data for intraplate sources are equivocal, with some results on OIBs positing low δ 11B (Chaussidon and Marty 1995), and others suggesting greater complexity. Intraplate basalts all show B depletions relative to MORBs, suggesting pervasive subduction-induced B redistribution in the Earth. While arc lavas and forearc rocks show Li enrichments, δ 7Li in these samples are distinct. Basalts are uniform in δ 7Li, varying ±2‰ from the mean value for MORBs. Mantle samples are, by contrast, diverse, ranging from +10‰ to -17‰. As Li partitions strongly into serpentine and other hydrated magnesian minerals, and solid-fluid exchanges result in strong Li isotopic fractionations, it is possible to generate rocks that are heterogeneous in Li content and δ 7Li via progressive fluid-rock exchange at relatively low temperatures. Magmas sample the δ 7Li of a large region of mantle, so fine-scale heterogeneity may be averaged out. The limited range of δ 7Li in lavas may also indicate that subducted materials do not transport a fractionated Li isotopic signature into the mantle.

  4. Storage and Effective Migration of Li-Ion for Defected {beta}‑LiFePO4

    SciTech Connect

    Guo, Hua; Song, Xiaohe; Zhuo, Zengqing; Hu, Jiangtao; Liu, Tongchao; Duan, Yandong; Zheng, Jiaxin; Chen, Zonghai; Yang, Wanli; Amine, Khalil; Pan, Feng

    2015-11-25

    Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, α-LiFePO4 (αLFP). However, the new phase β-LiFePO4 (βLFP), which can be transformed from αLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in αLFP disappear, while the Fe ions in the β-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstrate that βLFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of βLFP cathode achieved a capacity of 128 mAh g–1 at a rate of 0.1 C (1C = 170 mA g–1) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.

  5. Storage and Effective Migration of Li-Ion for Defected β-LiFePO4 Phase Nanocrystals.

    PubMed

    Guo, Hua; Song, Xiaohe; Zhuo, Zengqing; Hu, Jiangtao; Liu, Tongchao; Duan, Yandong; Zheng, Jiaxin; Chen, Zonghai; Yang, Wanli; Amine, Khalil; Pan, Feng

    2016-01-13

    Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, α-LiFePO4 (αLFP). However, the new phase β-LiFePO4 (βLFP), which can be transformed from αLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in αLFP disappear, while the Fe ions in the β-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstrate that βLFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of βLFP cathode achieved a capacity of 128 mAh g(-1) at a rate of 0.1 C (1C = 170 mA g(-1)) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.

  6. High speed pulsed laser cutting of LiCoO2 Li-ion battery electrodes

    NASA Astrophysics Data System (ADS)

    Lutey, Adrian H. A.; Fortunato, Alessandro; Carmignato, Simone; Fiorini, Maurizio

    2017-09-01

    Laser cutting of Li-ion battery electrodes represents an alternative to mechanical blanking that avoids complications associated with tool wear and allows assembly of different cell geometries with a single device. In this study, laser cutting of LiCoO2 Li-ion battery electrodes is performed at up to 5m /s with a 1064nm wavelength nanosecond pulsed fiber laser with a maximum average power of 500W and a repetition rate of up to 2MHz . Minimum average cutting power for cathode and anode multi-layer films is established for 12 parameter groups with velocities over the range 1 - 5m /s , varying laser pulse fluence and overlap. Within the tested parameter range, minimum energy per unit cut length is found to decrease with increasing repetition rate and velocity. SEM analysis of the resulting cut edges reveals visible clearance widths in the range 20 - 50 μm , with cut quality found to improve with velocity due to a reduction in lateral heat conduction losses. Raman line map spectra reveal changes in the cathode at 60 μm from the cut edge, where bands at 486cm-1 and 595cm-1 , corresponding to the Eg and A1g modes of LiCoO2 , are replaced with a single wide band centered at 544cm-1 , and evidence of carbon black is no longer present. No changes in Raman spectra are observed in the anode. The obtained results suggest that further improvements in cutting efficiency and quality could be achieved by increasing the repetition rate above 2MHz , thereby improving ablation efficiency of the metallic conductor layers. The laser source utilized in the present study nonetheless represents an immediately available solution for repeatability and throughput that are superior to mechanical blanking.

  7. Study of the /sup 7/Li(/sup 3/He,. cap alpha. )/sup 6/Li* reaction

    SciTech Connect

    Lin, B.S.C.

    1980-01-01

    Differential cross sections for formation of the 5.37 MeV (J'' = 2/sup +/, T = 1) level in /sup 6/Li have been measured via the reaction /sup 7/Li(/sup 3/He,..cap alpha..)/sup 6/Li at incident /sup 3/He energies in the range 0.7 to 2.5 MeV and for angles in the range 20/sup 0/ less than or equal to theta (Lab) less than or equal to 160/sup 0/. Data for the g.s., 2.18 and 3.56 MeV excited states of /sup 6/Li were also obtained. The results for the g.s. and the first two excited states are in good agreement with previous measurements and show no clear resonance structure. The excitation function for the 5.37 MeV state, however, exhibits resonance structure at incident /sup 3/He energies of 1.45 and 2.15 MeV corresponding to formation of states in the compound nucleus, /sup 10/B, at 18.8 and 19.3 MeV excitation respectively. The experimental data were compared with the results of DWBA calculations using the computer code DWUCK4. Coincident events between the first emitted alpha particle and the decay alpha's or proton's were detected using a counter telescope in the reaction plane at several appropriately chosen angle pairs at an incident /sup 3/He energy of 2.15 MeV. Branching ratios for the allowed decay modes /sup 5/He + p and ..cap alpha.. + p + n, as well as the isospin forbidden decay into ..cap alpha.. + d, were deduced from the data.

  8. Distinguishing magnetic vs. quadrupolar relaxation in b-NMR using 8Li and 9Li

    NASA Astrophysics Data System (ADS)

    Chatzichristos, A.; McFadden, R. M. L.; Karner, V. L.; Cortie, D. L.; Fang, A.; Levy, C. D. P.; Macfarlane, W. A.; Morris, G. D.; Pearson, M. R.; Salman, Z.; Kiefl, R. F.

    2016-09-01

    Beta-detected NMR is a powerful technique in condensed matter physics. It uses the parity violation of beta decay to detect the NMR signal from a beam of highly polarized radionuclides implanted in a sample material. Spin-lattice relaxation (SLR) is studied by monitoring the rate with which the asymmetry between the beta counts in two opposing detectors is lost. Unlike classical NMR, b-NMR can study thin films and near-surface effects. The most common b-NMR isotope at TRIUMF is 8Li, which has a quadrupole moment, thus it is sensitive to both magnetic fields and electric field gradients. A challenge with 8Li b-NMR is identifying the predominant mechanism of SLR in a given sample. It is possible to distinguish between SLR mechanisms by varying the probe isotope. For two isotopes with different nuclear moments, the ratio of SLR rates should be different in the limits of either pure magnetic or quadrupolar relaxation. This method has been used in classical NMR and we report its first application to b-NMR. We measured the SLR rates for 8Li and 8Li in Pt foil and SrTiO3. Pt is a test case for pure magnetic relaxation. SrTiO3 is a non-magnetic insulator, but the source of its relaxation is not well understood. Here we show that its relaxation is mainly quadrupolar. We thank TRIUMF's CMMS for their technical support. This work was supported by: NSERC Discovery Grants to R.F.K. and W.A.M.; and IsoSiM fellowships to A.C. and R.M.L.M.

  9. 6Li + ion implantation into polystyrene

    NASA Astrophysics Data System (ADS)

    Soares, M. R. F.; Alegaonkar, P.; Behar, M.; Fink, D.; Müller, M.

    2004-06-01

    100 keV 6Li + ions were implanted into polystyrene at fluences of 1 × 10 13 to 1 × 10 14 cm -2, and their depth distributions were determined by means of the neutron depth profiling technique. In no case the projectile ions are found to come to rest according to their predicted implantation profiles. Instead, they always undergo considerable migration. During the irradiation process this motion is influenced by the radiation damage, and during the subsequent annealing steps one deals with thermal diffusion. The implant redistribution is always found to be governed strongly by the self-created damage, insofar as both electronic and nuclear defects in the polymer act as trapping centers.

  10. Material review of Li ion battery separators

    SciTech Connect

    Weber, Christoph J. Geiger, Sigrid; Falusi, Sandra; Roth, Michael

    2014-06-16

    Separators for Li Ion batteries have a strong impact on cell production, cell performance, life, as well as reliability and safety. The separator market volume is about 500 million m{sup 2} mainly based on consumer applications. It is expected to grow strongly over the next decade for mobile and stationary applications using large cells. At present, the market is essentially served by polyolefine membranes. Such membranes have some technological limitations, such as wettability, porosity, penetration resistance, shrinkage and meltdown. The development of a cell failure due to internal short circuit is potentially closely related to separator material properties. Consequently, advanced separators became an intense area of worldwide research and development activity in academia and industry. New separator technologies are being developed especially to address safety and reliability related property improvements.

  11. LiFi: transforming fibre into wireless

    NASA Astrophysics Data System (ADS)

    Yin, Liang; Islim, Mohamed Sufyan; Haas, Harald

    2017-01-01

    Light-fidelity (LiFi) uses energy-efficient light-emitting diodes (LEDs) for high-speed wireless communication, and it has a great potential to be integrated with fibre communication for future gigabit networks. However, by making fibre communication wireless, multiuser interference arises. Traditional methods use orthogonal multiple access (OMA) for interference avoidance. In this paper, multiuser interference is exploited with the use of non-orthogonal multiple access (NOMA) relying on successive interference cancellation (SIC). The residual interference due to imperfect SIC in practical scenarios is characterized with a proportional model. Results show that NOMA offers 5 -10 dB gain on the equivalent signal-to-interference-plus-noise ratio (SINR) over OMA. The bit error rate (BER) performance of direct current optical orthogonal frequency division multiplexing (DCO-OFDM) is shown to be significantly improved when SIC is used.

  12. Transport measurement of Li doped monolayer graphene

    NASA Astrophysics Data System (ADS)

    Khademi, Ali; Sajadi, Ebrahim; Dosanjh, Pinder; Folk, Joshua; Stöhr, Alexander; Forti, Stiven; Starke, Ulrich

    Lithium adatoms on monolayer graphene have been predicted to induce superconductivity with a critical temperature near 8 K, and recent experimental evidence by ARPES indicates a critical temperature nearly that high. Encouraged by these results, we investigated the effects of lithium deposited at cryogenic temperatures on the electronic transport properties of epitaxial and CVD monolayer graphene down to 3 K. The change of charge carrier density due to Li deposition was monitored both by the gate voltage shift of the Dirac point and by Hall measurements, in low and high doping regimes. In the high doping regime, a saturation density of 2×1013 cm-2 was observed independent of sample type, initial carrier density and deposition conditions. No signatures of superconductivity were observed down to 3 K.

  13. Material review of Li ion battery separators

    NASA Astrophysics Data System (ADS)

    Weber, Christoph J.; Geiger, Sigrid; Falusi, Sandra; Roth, Michael

    2014-06-01

    Separators for Li Ion batteries have a strong impact on cell production, cell performance, life, as well as reliability and safety. The separator market volume is about 500 million m2 mainly based on consumer applications. It is expected to grow strongly over the next decade for mobile and stationary applications using large cells. At present, the market is essentially served by polyolefine membranes. Such membranes have some technological limitations, such as wettability, porosity, penetration resistance, shrinkage and meltdown. The development of a cell failure due to internal short circuit is potentially closely related to separator material properties. Consequently, advanced separators became an intense area of worldwide research and development activity in academia and industry. New separator technologies are being developed especially to address safety and reliability related property improvements.

  14. Extraction of Li and Co from Li-ion Batteries by Chemical Methods

    NASA Astrophysics Data System (ADS)

    Guzolu, Jafar Sharrivar; Gharabaghi, Mahdi; Mobin, Mohammad; Alilo, Hojat

    2017-04-01

    In this work a process involving ultrasonic washing and leaching and precipitation was used to recover Li and Co from spent Li-ion batteries. Ultrasonic washing was used to reduce energy consumption and pollution whereas hydrochloric acid was used as leaching reagent. 98 % of Li and nearly 99 % of Co were obtained under optimum condition of 5 M hydrochloric acid solution, temperature of 95 °C, reaction time of 70 min, and solid-liquid ratio of 10 g/L. In this process at first nickel, copper, iron, aluminum, cobalt, and manganese were precipitated from leaching solution using sodium hydroxide at pH f 12.5 and reaction time of 1 h and temperature was 55 °C and all metal recoveries were more than 99 %. In the precipitation experiments, lithium loss was only 18.34 %. In the next stage, white lithium carbonate was precipitated by addition of saturated sodium carbonate solution to the left filtrate from first precipitation step. The purity of the recovered powder of lithium was 95 %.

  15. Target electron ionization in Li2+-Li collisions: A multi-electron perspective

    NASA Astrophysics Data System (ADS)

    Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

    2015-05-01

    The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

  16. Extraction of Li and Co from Li-ion Batteries by Chemical Methods

    NASA Astrophysics Data System (ADS)

    Guzolu, Jafar Sharrivar; Gharabaghi, Mahdi; Mobin, Mohammad; Alilo, Hojat

    2016-05-01

    In this work a process involving ultrasonic washing and leaching and precipitation was used to recover Li and Co from spent Li-ion batteries. Ultrasonic washing was used to reduce energy consumption and pollution whereas hydrochloric acid was used as leaching reagent. 98 % of Li and nearly 99 % of Co were obtained under optimum condition of 5 M hydrochloric acid solution, temperature of 95 °C, reaction time of 70 min, and solid-liquid ratio of 10 g/L. In this process at first nickel, copper, iron, aluminum, cobalt, and manganese were precipitated from leaching solution using sodium hydroxide at pH f 12.5 and reaction time of 1 h and temperature was 55 °C and all metal recoveries were more than 99 %. In the precipitation experiments, lithium loss was only 18.34 %. In the next stage, white lithium carbonate was precipitated by addition of saturated sodium carbonate solution to the left filtrate from first precipitation step. The purity of the recovered powder of lithium was 95 %.

  17. High Performance Li4Ti5O12/Si Composite Anodes for Li-Ion Batteries

    PubMed Central

    Chen, Chunhui; Agrawal, Richa; Wang, Chunlei

    2015-01-01

    Improving the energy capacity of spinel Li4Ti5O12 (LTO) is very important to utilize it as a high-performance Li-ion battery (LIB) electrode. In this work, LTO/Si composites with different weight ratios were prepared and tested as anodes. The anodic and cathodic peaks from both LTO and silicon were apparent in the composites, indicating that each component was active upon Li+ insertion and extraction. The composites with higher Si contents (LTO:Si = 35:35) exhibited superior specific capacity (1004 mAh·g−1) at lower current densities (0.22 A·g−1) but the capacity deteriorated at higher current densities. On the other hand, the electrodes with moderate Si contents (LTO:Si = 50:20) were able to deliver stable capacity (100 mAh·g−1) with good cycling performance, even at a very high current density of 7 A·g−1. The improvement in specific capacity and rate performance was a direct result of the synergy between LTO and Si; the former can alleviate the stresses from volumetric changes in Si upon cycling, while Si can add to the capacity of the composite. Therefore, it has been demonstrated that the addition of Si and concentration optimization is an easy yet an effective way to produce high performance LTO-based electrodes for lithium-ion batteries.

  18. [Professor Li Shi-zhen's clinical experiences on compatibility application of hegu (LI 4)].

    PubMed

    Li, Chuan-qi

    2010-02-01

    The present paper introduces professor LI Shi-zhen's clinical experiences on compatibility application of Hegu (LI 4). Hegu (LI 4) is mostly used to treat acute pyreticosis, exterior syndrome of exogenous diseases, mind diseases and deficiency of vital energy. Acupuncture at this acupoint by using reducing method can dispel wind to relieve exterior syndrome, clear away heat to disperse lung. Powerful stimulation by needle can dredge stagnant meridian, open orifice to activate spirit. Acupuncture at this acupoint by using reinforcing method can invigorate qi to strengthen superficies and replenish qi to prevent collapse. Based on this method, reinforcing Zusanli (ST 36) and Baihui (GV 20) can strengthen middle energizer to nourish qi, which show the same benefits as Buzhong Yiqi Decoction; reinforcing Sanyinjiao (SP 6) can nourish both qi and blood, which show the same benefits as Decoction of Eight Ingredients; reducing Neiting (ST 44) can clear away evil heat of qifen in yangming meridians, which show the same benefits as Baihu Decoction.

  19. Dependence of LiNO3 decomposition on cathode binders in Li-S batteries

    NASA Astrophysics Data System (ADS)

    Godoi, Fernanda Condi de; Wang, Da-Wei; Zeng, Qingcong; Wu, Kuang-Hsu; Gentle, Ian R.

    2015-08-01

    This study brings a new insight into the interfacial compatibility of cathode binders with modified electrolytes in lithium-sulfur batteries. We compared the oxygen-containing binders sodium alginate (NaAlg) and sodium carboxymethyl cellulose (NaCMC) with the conventional oxygen-free polyvinylidene difluoride. The results revealed that the NaAlg and NaCMC binders strongly facilitated the decomposition of the electrolyte additive LiNO3 at potentials lower than 1.8 V. This is primarily attributed to the influence of oxygen-containing functional groups. However, when LiNO3 was absent from the electrolyte, the sulfur cathode with the NaAlg binder showed the most stable performance. To prevent LiNO3 decomposition and acquire stable cycling, the discharge voltage was limited to 1.8 V. At the conclusion of testing (100 cycles, voltage cutoff = 1.8 V), the NaAlg-based cathode maintained 608 mAh g-1 of capacity (52% of the initial capacity). This represented a 35% increase in the specific capacity obtained at the 100th discharge cycle with the cutoff voltage at 1.5 V. Our results suggest a rational choice of the binders used in sulfur composite cathodes.

  20. Gelled membranes for Li and Li-ion batteries prepared by electrospinning

    NASA Astrophysics Data System (ADS)

    Bansal, D.; Meyer, B.; Salomon, M.

    Composite polymer gelled membranes have been prepared an electrospinning technique. Electrospinning of polymer fibers or electrospraying of particles is typically accomplished by applying a strong electric field (ca. 1-25 kV cm -1) to a polymer solution or slurry of solids in an appropriate solvent. The fibers are collected as a mat (membrane) on a grounded target such as Al, Cu, Ni, etc. Typical membranes (mats) consist of nanometer size fibers and have porosities of 65-85%. In the present paper, we describe the fabrication of electrospun membranes for use as gelled electrolytes in Li and Li-ion batteries. The electrospun polymer membranes used in this work are based on the polyimides (PIs) Matrimid and Ultem 1000. Pure PI membranes have been prepared, and blends of Matrimid and Ultem with PVdF-HFP and PAN have been studied in 250 mAh and 7 Ah Li-ion cells. Fully imidized polyimides such as Matrimid and Ultem 1000 do not form gels, and are used as a host matrix of high mechanical strength to immobilize the gelling constituents PVdF or PAN.

  1. Li NMR study of heavy-fermion LiV2O4 containing magnetic defects

    SciTech Connect

    Zong, X.; Das, S.; Borsa, F.; Vannette, M.; Prozorov, R.; Schmalian, J.; Johnston, D.

    2008-04-21

    We present a systematic study of the variations of the {sup 7}Li NMR properties versus magnetic defect concentration up to 0.83 mol% within the spinel structure of polycrystalline powder samples and a collection of small single crystals of LiV2O4 in the temperature range from 0.5 to 4.2 K. We also report static magnetization measurements and ac magnetic susceptibility measurements at 14 MHz on the samples at low temperatures. Both the NMR spectrum and nuclear spin-lattice relaxation rate are inhomogeneous in the presence of the magnetic defects. The NMR data for the powders are well explained by assuming that (i) there is a random distribution of magnetic point defects, (ii) the same heavy Fermi liquid is present in the samples containing the magnetic defects as in magnetically pure LiV2O4, and (iii) the influences of the magnetic defects and of the Fermi liquid on the magnetization and NMR properties are separable. In the single crystals, somewhat different behaviors are observed. Remarkably, the magnetic defects in the powder samples show evidence of spin freezing below T {approx} 1.0 K, whereas in the single crystals with similar magnetic defect concentration no spin freezing was found down to 0.5 K. Thus different types of magnetic defects and/or interactions between them appear to arise in the powders versus the crystals, possibly due to the substantially different synthesis conditions of the powders and crystals.

  2. Bulk nanostructure of the prototypical 'good' and 'poor' solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3].

    PubMed

    Murphy, Thomas; Callear, Sam K; Yepuri, Nageshwar; Shimizu, Karina; Watanabe, Masayoshi; Canongia Lopes, José N; Darwish, Tamim; Warr, Gregory G; Atkin, Rob

    2016-07-14

    The bulk nanostructures of a prototypical 'good' solvate ionic liquid (SIL) and 'poor' SIL have been examined using neutron diffraction and empirical potential structure refinement (EPSR) simulated fits. The good SIL formed by a 1 : 1 mixture of lithium bis(trifluoromethylsulfonyl)imide (Li[TFSI]) in tetraglyme (G4), denoted [Li(G4)][TFSI], and the poor SIL formed from a 1 : 1 mixture of lithium nitrate (Li[NO3]) in G4, denoted [Li(G4)][NO3], have been studied. In both SILs there are strong Lewis acid-base interactions between Li(+) and ligating O atoms. However, the O atoms coordinated to Li(+) depend strongly on the counter anion present. LiO coordination numbers with G4 are 2-3 times higher for [Li(G4)][TFSI] than [Li(G4)][NO3], and conversely the LiO anion coordination number is 2-3 times higher in [Li(G4)][NO3]. In both solvates the local packing of Li around G4 O atoms are identical but these interactions are less frequent in [Li(G4)][NO3]. In both SILs, Li(+) has a distribution of coordination numbers and a wide variety of different complex structures are present. For [Li(G4)][NO3], there is a significant proportion uncoordinated G4 in the bulk; ∼37% of glyme molecules have no LiO contacts and each G4 molecule coordinates to an average of 0.5 Li(+) cations. Conversely, in [Li(G4)][TFSI] only ∼5% of G4 molecules lack LiO contacts and G4 molecules coordinates to an average of 1.3 Li(+) cations. Li(+) and G4 form polynuclear complexes, of the form [Lix(G4)y](x+), in both solvates. For [Li(G4)][TFSI] ∼35% of Li(+) and G4 form 1 polynuclear complexes, while only ∼10% of Li(+) and G4 form polynuclear complexes in [Li(G4)][NO3].

  3. NMR spin-lattice relaxation study of 7Li and 93Nb nuclei in Ti- or Fe-doped LiNbO3:Mg single crystals

    NASA Astrophysics Data System (ADS)

    Yeom, Tae Ho; Lim, Ae Ran

    2016-04-01

    In this study, to understand the effects of paramagnetic impurities, we investigated the temperature dependent of the spin-lattice relaxation times of pure LiNbO3, LiNbO3:Mg, LiNbO3:Mg/Ti, LiNbO3:Mg/Fe, and LiNbO3:Mg/Fe (thermally treated at 500°C) single crystals. The results for the LiNbO3:Mg single crystals doped with Fe3+ or Ti3+ are discussed with respect to the site distribution and atomic mobility of Li and Nb. In addition, the effects of a thermal treatment on LiNbO3:Mg/Fe single crystals were examined based on the T1 analysis of 7Li and 93Nb. It was found that the presence of impurities in the crystals induced systematic changes of activation energies concerning atomic mobility.

  4. Preparation of Li2TiO3-Li4SiO4 core-shell ceramic pebbles with enhanced crush load by graphite bed process

    NASA Astrophysics Data System (ADS)

    Xiang, Maoqiao; Zhang, Yingchun; Zhang, Yun; Liu, Shuya; Liu, Hui; Wang, Chaofu; Gu, Cheng

    2015-11-01

    Li4SiO4 and Li2TiO3 have been regarded as the most favored ceramic breeders of the test blanket modules (TBMs). The lithium density of Li4SiO4 is higher than that of Li2TiO3; however, the thermo-mechanical stability of Li2TiO3 is better than that of Li4SiO4. Hence, the biphasic yLi2TiO3-(1-y)Li4SiO4 (y = 25%, 50%, 75%, molar ratio) pebbles were fabricated by a graphite bed process for the next generation of advanced tritium breeder materials. The pebbles with interesting core-shell structure (core: Li2TiO3 and Li4SiO4, shell: Li2TiO3) were fabricated for the first time. The thickness of Li2TiO3 shell can be controlled by sintering time. Crystal structure, microstructure, and mechanical properties of the biphasic pebbles were investigated. The experimental results showed that the core-shell structure improved the crush load dramatically. The average crush load of 50%Li2TiO3-50%Li4SiO4 pebbles sintered at 1100 °C for 5 h was up to104.79 N.

  5. New solid-state synthesis routine and mechanism for LiFePO 4 using LiF as lithium precursor

    NASA Astrophysics Data System (ADS)

    Wang, Deyu; Li, Hong; Wang, Zhaoxiang; Wu, Xiaodong; Sun, Yucheng; Huang, Xuejie; Chen, Liquan

    2004-12-01

    Li 2CO 3 and LiOH·H 2O are widely used as Li-precursors to prepare LiFePO 4 in solid-phase reactions. However, impurities are often found in the final product unless the sintering temperature is increased to 800 °C. Here, we report that lithium fluoride (LiF) can also be used as Li-precursor for solid-phase synthesis of LiFePO 4 and very pure olivine phase was obtained even with sintering at a relatively low temperature (600 °C). Consequently, the product has smaller particle size (about 500 nm), which is beneficial for Li-extraction/insertion in view of kinetics. As for cathode material for Li-ion batteries, LiFePO 4 obtained from LiF shows high Li-storage capacity of 151 mAh g -1 at small current density of 10 mA g -1 (1/15 C) and maintains capacity of 54.8 mAh g -1 at 1500 mA g -1 (10 C). The solid-state reaction mechanisms using LiF and Li 2CO 3 precursors are compared based on XRD and TG-DSC.

  6. Relevance of LiPF6 as Etching Agent of LiMnPO4 Colloidal Nanocrystals for High Rate Performing Li-ion Battery Cathodes

    PubMed Central

    2016-01-01

    LiMnPO4 is an attractive cathode material for the next-generation high power Li-ion batteries, due to its high theoretical specific capacity (170 mA h g–1) and working voltage (4.1 V vs Li+/Li). However, two main drawbacks prevent the practical use of LiMnPO4: its low electronic conductivity and the limited lithium diffusion rate, which are responsible for the poor rate capability of the cathode. The electronic resistance is usually lowered by coating the particles with carbon, while the use of nanosize particles can alleviate the issues associated with poor ionic conductivity. It is therefore of primary importance to develop a synthetic route to LiMnPO4 nanocrystals (NCs) with controlled size and coated with a highly conductive carbon layer. We report here an effective surface etching process (using LiPF6) on colloidally synthesized LiMnPO4 NCs that makes the NCs dispersible in the aqueous glucose solution used as carbon source for the carbon coating step. Also, it is likely that the improved exposure of the NC surface to glucose facilitates the formation of a conductive carbon layer that is in intimate contact with the inorganic core, resulting in a high electronic conductivity of the electrode, as observed by us. The carbon coated etched LiMnPO4-based electrode exhibited a specific capacity of 118 mA h g–1 at 1C, with a stable cycling performance and a capacity retention of 92% after 120 cycles at different C-rates. The delivered capacities were higher than those of electrodes based on not etched carbon coated NCs, which never exceeded 30 mA h g–1. The rate capability here reported for the carbon coated etched LiMnPO4 nanocrystals represents an important result, taking into account that in the electrode formulation 80% wt is made of the active material and the adopted charge protocol is based on reasonable fast charge times. PMID:26799094

  7. Relevance of LiPF6 as Etching Agent of LiMnPO4 Colloidal Nanocrystals for High Rate Performing Li-ion Battery Cathodes.

    PubMed

    Chen, Lin; Dilena, Enrico; Paolella, Andrea; Bertoni, Giovanni; Ansaldo, Alberto; Colombo, Massimo; Marras, Sergio; Scrosati, Bruno; Manna, Liberato; Monaco, Simone

    2016-02-17

    LiMnPO4 is an attractive cathode material for the next-generation high power Li-ion batteries, due to its high theoretical specific capacity (170 mA h g(-1)) and working voltage (4.1 V vs Li(+)/Li). However, two main drawbacks prevent the practical use of LiMnPO4: its low electronic conductivity and the limited lithium diffusion rate, which are responsible for the poor rate capability of the cathode. The electronic resistance is usually lowered by coating the particles with carbon, while the use of nanosize particles can alleviate the issues associated with poor ionic conductivity. It is therefore of primary importance to develop a synthetic route to LiMnPO4 nanocrystals (NCs) with controlled size and coated with a highly conductive carbon layer. We report here an effective surface etching process (using LiPF6) on colloidally synthesized LiMnPO4 NCs that makes the NCs dispersible in the aqueous glucose solution used as carbon source for the carbon coating step. Also, it is likely that the improved exposure of the NC surface to glucose facilitates the formation of a conductive carbon layer that is in intimate contact with the inorganic core, resulting in a high electronic conductivity of the electrode, as observed by us. The carbon coated etched LiMnPO4-based electrode exhibited a specific capacity of 118 mA h g(-1) at 1C, with a stable cycling performance and a capacity retention of 92% after 120 cycles at different C-rates. The delivered capacities were higher than those of electrodes based on not etched carbon coated NCs, which never exceeded 30 mA h g(-1). The rate capability here reported for the carbon coated etched LiMnPO4 nanocrystals represents an important result, taking into account that in the electrode formulation 80% wt is made of the active material and the adopted charge protocol is based on reasonable fast charge times.

  8. Lithium Ion Mobility in Lithium Phosphidosilicates: Crystal Structure, (7) Li, (29) Si, and (31) P MAS NMR Spectroscopy, and Impedance Spectroscopy of Li8 SiP4 and Li2 SiP2.

    PubMed

    Toffoletti, Lorenzo; Kirchhain, Holger; Landesfeind, Johannes; Klein, Wilhelm; van Wüllen, Leo; Gasteiger, Hubert A; Fässler, Thomas F

    2016-12-05

    The need to improve electrodes and Li-ion conducting materials for rechargeable all-solid-state batteries has drawn enhanced attention to the investigation of lithium-rich compounds. The study of the ternary system Li-Si-P revealed a series of new compounds, two of which, Li8 SiP4 and Li2 SiP2 , are presented. Both phases represent members of a new family of Li ion conductors that display Li ion conductivity in the range from 1.15(7)×10(-6) Scm(-1) at 0 °C to 1.2(2)×10(-4) Scm(-1) at 75 °C (Li8 SiP4 ) and from 6.1(7)×10(-8) Scm(-1) at 0 °C to 6(1)×10(-6) Scm(-1) at 75 °C (Li2 SiP2 ), as determined by impedance measurements. Temperature-dependent solid-state (7) Li NMR spectroscopy revealed low activation energies of about 36 kJ mol(-1) for Li8 SiP4 and about 47 kJ mol(-1) for Li2 SiP2 . Both compounds were structurally characterized by X-ray diffraction analysis (single crystal and powder methods) and by (7) Li, (29) Si, and (31) P MAS NMR spectroscopy. Both phases consist of tetrahedral SiP4 anions and Li counterions. Li8 SiP4 contains isolated SiP4 units surrounded by Li atoms, while Li2 SiP2 comprises a three-dimensional network based on corner-sharing SiP4 tetrahedra, with the Li ions located in cavities and channels. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Anti-Perovskite Li-Battery Cathode Materials.

    PubMed

    Lai, Kwing To; Antonyshyn, Iryna; Prots, Yurii; Valldor, Martin

    2017-07-19

    Through single-step solid-state reactions, a series of novel bichalcogenides with the general composition (Li2Fe)ChO (Ch = S, Se, Te) are successfully synthesized. (Li2Fe)ChO (Ch = S, Se) possess cubic anti-perovskite crystal structures, where Fe and Li are completely disordered on a common crystallographic site (3c). According to Goldschmidt calculations, Li(+) and Fe(2+) are too small for their common atomic position and exhibit large thermal displacements in the crystal structure models, implying high cation mobility. Both compounds (Li2Fe)ChO (Ch = S, Se) were tested as cathode materials against graphite anodes (single cells); They perform outstandingly at very high charge rates (270 mA g(-1), 80 cycles) and, at a charge rate of 30 mA g(-1), exhibit charge capacities of about 120 mA h g(-1). Compared to highly optimized Li1-xCoO2 cathode materials, these novel anti-perovskites are easily produced at cost reductions by up to 95% and, yet, possess a relative specific charge capacity of 75%. Moreover, these iron-based anti-perovskites are comparatively friendly to the environment and (Li2Fe)ChO (Ch = S, Se) melt congruently; the latter is advantageous for manufacturing pure materials in large amounts.

  10. Two phosphonium ionic liquids with high Li(+) transport number.

    PubMed

    Martins, Vitor L; Sanchez-Ramirez, Nédher; Ribeiro, Mauro C C; Torresi, Roberto M

    2015-09-21

    This work presents the physicochemical characterization of two ionic liquids (ILs) with small phosphonium cations, triethylpenthylphosphonium bis(trifluoromethanesulfonyl)imide ([P2225][Tf2N]) and (2-methoxyethyl)trimethylphosphonium bis(trifluoromethanesulfonyl)imide ([P222(201)][Tf2N]), and their mixtures with Li(+). Properties such as the electrochemical window, density, viscosity and ionic conductivity are presented. The diffusion coefficient was obtained using two different techniques, PGSE-NMR and Li electrodeposition with microelectrodes. In addition, the Li(+) transport number was calculated using the PGSE-NMR technique and an electrochemical approach. The use of these three techniques showed that the PGSE-NMR technique underestimates the diffusion coefficient for charged species. The Li(+) transport number was found to be as high as 0.54. Raman spectroscopy and molecular dynamics simulations were used to evaluate the short-range structure of the liquids. These experiments suggested that the interaction between the Li(+) and the Tf2N(-) anion is similar to that seen with other ILs containing the same anion. However, the MD simulations also showed that the Li(+) ions interact differently with the cation containing an alkyl ether chain. The results found in this work suggest that these Li(+) mixtures have promising potential to be applied as electrolytes in batteries.

  11. Developing New Electrolytes for Advanced Li-ion Batteries

    NASA Astrophysics Data System (ADS)

    McOwen, Dennis Wayne

    The use of renewable energy sources is on the rise, as new energy generating technologies continue to become more efficient and economical. Furthermore, the advantages of an energy infrastructure which relies more on sustainable and renewable energy sources are becoming increasingly apparent. The most readily available of these renewable energy sources, wind and solar energy in particular, are naturally intermittent. Thus, to enable the continued expansion and widespread adoption of renewable energy generating technology, a cost-effective energy storage system is essential. Additionally, the market for electric/hybrid electric vehicles, which both require efficient energy storage, continues to grow as more consumers seek to reduce their consumption of gasoline. These vehicles, however, remain quite expensive, due primarily to costs associated with storing the electrical energy. High-voltage and thermally stable Li-ion battery technology is a promising solution for both grid-level and electric vehicle energy storage. Current limitations in materials, however, limit the energy density and safe operating temperature window of the battery. Specifically, the state-of-the-art electrolyte used in Li-ion batteries is not compatible with recently developed high-voltage positive electrodes, which are one of the most effectual ways of increasing the energy density. The electrolyte is also thermally unstable above 50 °C, and prone to thermal runaway reaction if exposed to prolonged heating. The lithium salt used in such electrolytes, LiPF6, is a primary contributor to both of these issues. Unfortunately, an improved lithium salt which meets the myriad property requirements for Li-ion battery electrolytes has eluded researchers for decades. In this study, a renewed effort to find such a lithium salt was begun, using a recently developed methodology to rapidly screen for desirable properties. Four new lithium salts and one relatively new but uncharacterized lithium salt were

  12. Processing LiDAR Data to Predict Natural Hazards

    NASA Technical Reports Server (NTRS)

    Fairweather, Ian; Crabtree, Robert; Hager, Stacey

    2008-01-01

    ELF-Base and ELF-Hazards (wherein 'ELF' signifies 'Extract LiDAR Features' and 'LiDAR' signifies 'light detection and ranging') are developmental software modules for processing remote-sensing LiDAR data to identify past natural hazards (principally, landslides) and predict future ones. ELF-Base processes raw LiDAR data, including LiDAR intensity data that are often ignored in other software, to create digital terrain models (DTMs) and digital feature models (DFMs) with sub-meter accuracy. ELF-Hazards fuses raw LiDAR data, data from multispectral and hyperspectral optical images, and DTMs and DFMs generated by ELF-Base to generate hazard risk maps. Advanced algorithms in these software modules include line-enhancement and edge-detection algorithms, surface-characterization algorithms, and algorithms that implement innovative data-fusion techniques. The line-extraction and edge-detection algorithms enable users to locate such features as faults and landslide headwall scarps. Also implemented in this software are improved methodologies for identification and mapping of past landslide events by use of (1) accurate, ELF-derived surface characterizations and (2) three LiDAR/optical-data-fusion techniques: post-classification data fusion, maximum-likelihood estimation modeling, and hierarchical within-class discrimination. This software is expected to enable faster, more accurate forecasting of natural hazards than has previously been possible.

  13. Synthesis and characterization of lithium oxonitrate (LiNO).

    PubMed

    Switzer, Christopher H; Miller, Thomas W; Farmer, Patrick J; Fukuto, Jon M

    2013-01-01

    The oxonitrate(1-) anion (NO(-)), the one-electron reduction product of nitric oxide and conjugate base of HNO, has not been synthesized and isolated due to the inherent reactivity of this anion. The large scale synthesis and characterization of a stable NO(-) salt is described here. The lithium salt of oxonitrate (LiNO) was formed by the deprotonation of N-hydroxybenzenesulfonamide with phenyllithium in aprotic, deoxygenated conditions. LiNO exhibited antiferromagnetic paramagnetism as determined by SQUID magnetometry, consistent with a triplet ground state of NO(-). LiNO reacted with HCl to yield nitrous oxide consistent with HNO formation and dimerization. LiNO consumed O(2) in a pH-dependent manner to initially produce peroxynitrite and eventually nitrite. Consistent with the reduction potential of NO, LiNO exhibited an oxidation potential of approximately +0.80 V as determined by reactions with a series of viologen electron acceptors. LiNO also reacted with ferric tetraphenylporphyrin chloride (Fe(TPP)Cl), potassium tetracyanonickelate (K(2)Ni(CN)(4)) and nitrosobenzene in a manner that is identical to other HNO/NO(-) donors. We conclude that the physical and chemical characteristics of LiNO are indistinguishable from the experimentally and theoretically derived data on oxonitrate (1-) anion. The bulk synthesis and isolation of a stable (3)NO(-) salt described here allow the chemical and physical properties of this elusive nitrogen oxide to be thoroughly studied as this once elusive nitrogen oxide is now attainable.

  14. A Carbonate Li Isotope Record Through Earth's History

    NASA Astrophysics Data System (ADS)

    Asael, D.; Kalderon-Asael, B.; Planavsky, N.

    2016-12-01

    Lithium (Li) isotopes emerge as a powerful geochemical proxy for tracking continental weathering through time. Extensive work on Li fractionation in modern systems has brought to a profound understanding of the modern Li budget as well as to a consensus that marine carbonates faithfully record seawater Li isotope signature. As such record is essential in order to track global-scale changes in weathering processes and intensity through Earth's history, we have generated Li isotope data from marine carbonates from over 40 units, ranging in age from 3.0 Ga to modern. Preliminary results provide evidence for strongly inhibited weathering-mediated clay formation prior to the Paleozoic, which we attribute to the pre-Paleozoic lack of land plants. The initial rise in the Li isotope values is observed during the Ordovician, which is followed by a subsequent drop to background values and then begins the generally increasing trend that is already well reported. These findings are open for interpretation but they still support the view that the emergence of land plants dramatically changed the process of weathering and it seems that biomass has a potentially significant role in mineral breakdown in soils. Li isotopes provide a novel perspective on weathering and the impact on the Earth system of the rise of land plants - one of the most significant transitions in Earth's history.

  15. The local electronic structure of α-Li3N

    SciTech Connect

    Fister, Timothy T.; Siedler, Gerald T.; Shirley, E. L.; Vila, Fernando D.; Nagle, Kenneth P.; Rehr, John J.; Linehan, John C.; Cross, Julie O.

    2008-07-28

    We investigate the local electronic structure of α-Li3N by the combination of nonresonant inelastic x-ray scattering measurements and three independent ab initio theoretical treatments. Experimental determination of the local final density of states projected onto an orbital angular momentum basis (l-DOS) for Li 1s initial states finds strong similarities in the s- and p-DOS throughout the near-edge region, which we attribute to the 3-fold rotational symmetry about Li sites in the Li2N sheets of α-Li3N. We also find a significant correspondence between the near-edge spectra for the Li 1s and N 1s contributions to the NRIXS signal. This is unexpected, as such behavior is typically associated with covalent materials whereas α-Li3N is strongly ionic. We explain that such similarity in the DOS at different sites in either ionic or covalent systems may occur when the core-hole lifetimes are very long, so that the lifetime of the photoelectron is the dominant factor in cutting off high-order multiple scattering in the near-edge regime. This work was supported by the U.S. Department of Energy's Office of Basic Energy Sciences. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  16. Big Bang 6Li nucleosynthesis studied deep underground (LUNA collaboration)

    NASA Astrophysics Data System (ADS)

    Trezzi, D.; Anders, M.; Aliotta, M.; Bellini, A.; Bemmerer, D.; Boeltzig, A.; Broggini, C.; Bruno, C. G.; Caciolli, A.; Cavanna, F.; Corvisiero, P.; Costantini, H.; Davinson, T.; Depalo, R.; Elekes, Z.; Erhard, M.; Ferraro, F.; Formicola, A.; Fülop, Zs.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, Gy.; Junker, M.; Lemut, A.; Marta, M.; Mazzocchi, C.; Menegazzo, R.; Mossa, V.; Pantaleo, F.; Prati, P.; Rossi Alvarez, C.; Scott, D. A.; Somorjai, E.; Straniero, O.; Szücs, T.; Takacs, M.

    2017-03-01

    The correct prediction of the abundances of the light nuclides produced during the epoch of Big Bang Nucleosynthesis (BBN) is one of the main topics of modern cosmology. For many of the nuclear reactions that are relevant for this epoch, direct experimental cross section data are available, ushering the so-called "age of precision". The present work addresses an exception to this current status: the 2H(α,γ)6Li reaction that controls 6Li production in the Big Bang. Recent controversial observations of 6Li in metal-poor stars have heightened the interest in understanding primordial 6Li production. If confirmed, these observations would lead to a second cosmological lithium problem, in addition to the well-known 7Li problem. In the present work, the direct experimental cross section data on 2H(α,γ)6Li in the BBN energy range are reported. The measurement has been performed deep underground at the LUNA (Laboratory for Underground Nuclear Astrophysics) 400 kV accelerator in the Laboratori Nazionali del Gran Sasso, Italy. The cross section has been directly measured at the energies of interest for Big Bang Nucleosynthesis for the first time, at Ecm = 80, 93, 120, and 133 keV. Based on the new data, the 2H(α,γ)6Li thermonuclear reaction rate has been derived. Our rate is even lower than previously reported, thus increasing the discrepancy between predicted Big Bang 6Li abundance and the amount of primordial 6Li inferred from observations.

  17. Hydrogen reversibility of LiBH₄-MgH₂-Al composites.

    PubMed

    Hansen, Bjarne R S; Ravnsbæk, Dorthe B; Skibsted, Jørgen; Jensen, Torben R

    2014-05-21

    The detailed mechanism of hydrogen release in LiBH4-MgH2-Al composites of molar ratios 4 : 1 : 1 and 4 : 1 : 5 are investigated during multiple cycles of hydrogen release and uptake. This study combines information from several methods, i.e., in situ synchrotron radiation powder X-ray diffraction, (11)B magic-angle spinning (MAS) NMR, Sievert's measurements, Fourier transform infrared spectroscopy and simultaneous thermogravimetric analysis, differential scanning calorimetry and mass spectroscopy. The composites of LiBH4-MgH2-Al are compared with the behavior of the LiBH4-Al and LiBH4-MgH2 systems. The decomposition pathway of the LiBH4-MgH2-Al system is different for the two investigated molar ratios, although it ultimately results in the formation of LiAl, Mg(x)Al(1-x)B2 and Li2B12H12 in both cases. For the 4 : 1 : 1-molar ratio, Mg(0.9)Al(0.1) and Mg17Al12 are observed as intermediates. However, only Mg is observed as an intermediate in the 4 : 1 : 5-sample, which may be due to an earlier formation of Mg(x)Al(1-x)B2, reflecting the complex chemistry of Al-Mg phases. Hydrogen release and uptake reveals a decrease in the hydrogen storage capacity upon cycling. This loss reflects the formation of Li2B12H12 as observed by (11)B NMR and infrared spectroscopy for the cycled samples. Furthermore, it is shown that the Li2B12H12 formation can be limited significantly by applying moderate hydrogen partial pressure during decomposition.

  18. Li I AND K I SCATTER IN COOL PLEIADES DWARFS

    SciTech Connect

    King, Jeremy R.; Schuler, Simon C.; Hobbs, L. M.; Pinsonneault, Marc H. E-mail: sschuler@noao.ed E-mail: pinsono@astronomy.ohio-state.ed

    2010-02-20

    We utilize high-resolution (R {approx} 60,000), high signal-to-noise ratio ({approx}100) spectroscopy of 17 cool Pleiades dwarfs to examine the confounding star-to-star scatter in the lambda6707 Li I line strengths in this young cluster. Our Pleiades, selected for their small projected rotational velocity and modest chromospheric emission, evince substantial scatter in the line strengths of lambda6707 Li I feature that is absent in the lambda7699 K I resonance line. The Li I scatter is not correlated with that in the high-excitation lambda7774 O I feature, and the magnitude of the former is greater than the latter despite the larger temperature sensitivity of the O I feature. These results suggest that systematic errors in line strength measurements due to blending, color (or color-based T{sub eff}) errors, or line formation effects related to an overlying chromosphere are not the principal source of Li I scatter in our stars. There do exist analytic spot models that can produce, via line formation effects, the observed Li scatter without introducing scatter in the K I line strengths or the color-magnitude diagram. However, these models predict factor of >=3 differences in abundances derived from the subordinate lambda6104 and resonance lambda6707 Li I features; we find no difference in the abundances determined from these two features. These analytic spot models also predict CN line strengths significantly larger than we observe in our spectra. The simplest explanation of the Li, K, CN, and photometric data is that there must be a real abundance component to the Pleiades Li dispersion. We suggest that this real abundance component is the manifestation of relic differences in erstwhile pre-main-sequence Li burning caused by effects of surface activity on stellar structure. We discuss observational predictions of these effects, which may be related to other anomalous stellar phenomena.

  19. Lamb shifts and hyperfine structure in 6Li+ and 7Li+: Theory and experiment

    NASA Astrophysics Data System (ADS)

    Riis, E.; Sinclair, A. G.; Poulsen, O.; Drake, G. W. F.; Rowley, W. R. C.; Levick, A. P.

    1994-01-01

    High-precision laser-resonance measurements accurate to +/-0.5 MHz or better are reported for transitions among the 1s2s 3S1-1s2p 3PJ hyperfine manifolds for each of J=0, 1, and 2 in both 6Li+ and 7Li+. A detailed analysis of hyperfine structure is performed for both the S and P states, using newly calculated values for the magnetic dipole and electric quadrupole coupling constants, and the hyperfine shifts subtracted from the measurements. The resulting transition frequencies are then analyzed on three different levels. First, the isotope shifts in the fine-structure splittings are calculated from the relativistic reduced mass and recoil terms in the Breit interaction, and compared with experiment at the +/-0.5-MHz level of accuracy. This comparison is particularly significant because J-independent theoretical uncertainties reduce through cancellation to the +/-0.01-MHz level. Second, the isotope shifts in the full transition frequencies are used to deduce the difference in rms nuclear radii. The result is Rrms(6Li)-Rrms(7Li)=0.15+/-0.01 fm, in agreement with nuclear scattering data, but with substantially improved accuracy. Third, high-precision calculations of the low-order non-QED contributions to the transition frequencies are subtracted from the measurements to obtain the residual QED shifts. The isotope-averaged and spin-averaged effective shift for 7Li+ is 37 429.40+/-0.39 MHz, with an additional uncertainty of +/-1.5 MHz due to finite nuclear size corrections. The accuracy of 11 parts per million is the best two-electron Lamb shift measurement in the literature, and is comparable to the accuracies achieved in hydrogen. Theoretical contributions to the two-electron Lamb shift are discussed, including terms of order (αZ)4 recently obtained by Chen, Cheng, and Johnson [Phys. Rev. A 47, 3692 (1993)], and the results used to extract a QED shift for the 2 3S1 state. The result of 30 254+/-12 MHz is shown to be in good accord with theory (30 250+/-30 MHz) when

  20. Expectation values of the e{sup +}Li system

    SciTech Connect

    Mitroy, J.

    2004-08-01

    Close to converged energies and expectation values for e{sup +}Li are computed using a ground state wave function consisting of 1200 explicitly correlated Gaussians. The best estimate of the e{sup +}Li energy was -7.532 895 5 hartree which has a binding energy of 0.002 482 hartree against dissociation into Ps+Li{sup +}. The 2{gamma} annihilation rate for the spin singlet state was 6.996x10{sup 9} s{sup -1}. The annihilation rate for the triplet state, taking into account core annihilation and the 3{gamma} decay, was 9.36x10{sup 6} s{sup -1}.

  1. Li metal for x-ray refractive optics

    SciTech Connect

    Pereira, Nino R.; Arms, Dohn A.; Clarke, Roy; Dierker, Steve B.; Dufresne, Eric; Foster, D.

    2004-01-27

    Lithium metal is the best material for refractive lenses that must focus x-rays with energies below 15 keV, but to date no lens from Li has been reported. This letter demonstrates focusing of 10 keV x-rays with a one-dimensional sawtooth lens made from Li. The lens theoretical gain is 4.5, with manufacturing imperfections likely responsible for the threefold gain that is observed. Despite the Li reactivity the lens is stable over months of operation if kept under vacuum.

  2. Dynamic dipole polarizability of Li{sup +} embedded in plasmas

    SciTech Connect

    Kar, S.; Kamali, M. Z. M.; Ratnavelu, K.

    2014-03-05

    Dynamic dipole polarizabilities of the system Li{sup +} embedded in weakly coupled plasmas are investigated using highly correlated exponential wave functions in the framework of the pseudostate summation technique. The Debye-Hückel shielding approach of plasma modeling is used to represent weakly coupled plasma environment. In free-atomic cases, results obtained from the present study are in agreement with the available calculations. Frequency-dependent polarizability of Li{sup +} as function of screening parameter is presented for the first time. Resonance frequencies for Li{sup +} are also presented in terms of screening parameter.

  3. Tensor Modeling Based for Airborne LiDAR Data Classification

    NASA Astrophysics Data System (ADS)

    Li, N.; Liu, C.; Pfeifer, N.; Yin, J. F.; Liao, Z. Y.; Zhou, Y.

    2016-06-01

    Feature selection and description is a key factor in classification of Earth observation data. In this paper a classification method based on tensor decomposition is proposed. First, multiple features are extracted from raw LiDAR point cloud, and raster LiDAR images are derived by accumulating features or the "raw" data attributes. Then, the feature rasters of LiDAR data are stored as a tensor, and tensor decomposition is used to select component features. This tensor representation could keep the initial spatial structure and insure the consideration of the neighborhood. Based on a small number of component features a k nearest neighborhood classification is applied.

  4. Supporting Crewed Lunar Exploration with LiAISON Navigation

    NASA Technical Reports Server (NTRS)

    Leonard, Jason M.; Parker, Jeffrey S.; Anderson, Rodney L.; McGranaghan, Ryan M.; Fujimoto, Kohei; Born, George H.

    2013-01-01

    This paper examines the benefits of navigating a crewed vehicle between the Earth and the Moon using both ground tracking and satellite-to-satellite tracking. Linked Autonomous Interplanetary Satellite Orbit Navigation (LiAISON) is a new technique that has been shown to dramatically improve the navigation of lunar satellites, libration orbiters, and Earth orbiting satellites using scalar intersatellite observations. In this paper, LiAISON is applied to the problem of navigating a crewed vehicle to the Moon. It has been found that LiAISON observations improve the navigation accuracy enough to reduce the number of active ground tracking stations from six to three.

  5. Activity and the Li abundances in the FGK dwarfs⋆

    NASA Astrophysics Data System (ADS)

    Mishenina, T. V.; Soubiran, C.; Kovtyukh, V. V.; Katsova, M. M.; Livshits, M. A.

    2012-11-01

    Aims: The aim of the present study is to determine the Li abundances for a large set of the FGK dwarfs and to analyse the connections between the Li content, stellar parameters, and activity. Methods: The atmospheric parameters, rotational velocities and the Li abundances were determined from a homogeneous collection of the echelle spectra with high resolution and a high signal-to-noise ratio. The rotational velocities vsini were determined by calibrating the cross-correlation function. The effective temperatures Teff were estimated by the line-depth ratio method. The surface gravities log g were computed by two methods: the iron ionization balance and the parallax. The LTE Li abundances were computed using synthetic spectra method. The behaviour of the Li abundance was examined in correlation with Teff, [Fe/H] , as well as with vsini and the level of activity in three stellar groups of the different temperature range. Results: The stellar parameters and the Li abundances are presented for 150 slow rotating stars of the lower part of the main sequence. The studied stars show a decline in the Li abundance with decreasing temperature Teff and a significant spread, which should be due to the difference of age of stars. The correlations between the Li abundances, rotational velocities vsini, and the level of the chromospheric activity were discovered for the stars with 6000 > Teff > 5700 K, and it is tighter for the stars with 5700 > Teff > 5200 K. The target stars with Teff < 5200 K do not show any correlation between log A(Li) and vsini. The relationship between the chromospheric and coronal fluxes in active with detected Li as well as in less active stars gives a hint that there exist different conditions in the action of the dynamo mechanism in those stars. Conclusions: We found that the Li-activity correlation is evident only in a restricted temperature range and the Li abundance spread seems to be present in a group of low chromospheric activity stars that also

  6. LiPF 6 and lithium oxalyldifluoroborate blend salts electrolyte for LiFePO 4/artificial graphite lithium-ion cells

    NASA Astrophysics Data System (ADS)

    Zhang, Zhian; Chen, Xujie; Li, Fanqun; Lai, Yanqing; Li, Jie; Liu, Ping; Wang, Xinyu

    The electrochemical behaviors of LiPF 6 and lithium oxalyldifluoroborate (LiODFB) blend salts in ethylene carbonate + propylene carbonate + dimethyl carbonate (EC + PC + DMC, 1:1:3, v/v/v) for LiFePO 4/artificial graphite (AG) lithium-ion cells have been investigated in this work. It is demonstrated by conductivity test that LiPF 6 and LiODFB blend salts electrolytes have superior conductivity to pure LiODFB-based electrolyte. The results show that the performances of LiFePO 4/Li half cells with LiPF 6 and LiODFB blend salts electrolytes are inferior to pure LiPF 6-based electrolyte, the capacity and cycling efficiency of Li/AG half cells are distinctly improved by blend salts electrolytes, and the optimum LiODFB/LiPF 6 molar ratio is around 4:1. A reduction peak is observed around 1.5 V in LiODFB containing electrolyte systems by means of CV tests for Li/AG cells. Excellent capacity and cycling performance are obtained on LiFePO 4/AG 063048-type cells tests with blend salts electrolytes. A plateau near 1.7-2.0 V is shown in electrolytes containing LiODFB salt, and extends with increasing LiODFB concentration in charge curve of LiFePO 4/AG cells. At 1 C discharge current rate, the initial discharge capacity of 063048-type cell with the optimum electrolyte is 376.0 mAh, and the capacity retention is 90.8% after 100 cycles at 25 °C. When at 65 °C, the capacity and capacity retention after 100 cycles are 351.3 mAh and 88.7%, respectively. The performances of LiFePO 4/AG cells are remarkably improved by blending LiODFB and LiPF 6 salts compared to those of pure LiPF 6-based electrolyte system, especially at elevated temperature to 65 °C.

  7. The dynamics on migrations of Li + ion and Li atom at 700 K around the circumference of graphite cluster model: A direct molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Shimizu, Akira; Tachikawa, Hiroto

    2001-05-01

    For the diffusion species of Li + ion and Li atom stabilized at the same site of the circumference of the graphite, migration processes are simulated using the direct molecular orbital (MO) dynamics calculation on the hydrogen terminated cluster model, C54H18, at AM1 level. Although Li + forms ionic bond with two carbon atoms in the circumference, Li bonds covalently with one atom through sp3 hybrid orbital at 0 K. At 700 K, Li+ dissociated goes across the bulk and escapes from the cluster model after 0.6 ps. On the other hand, Li circulates only around the carbon atom, keeping the covalent bond.

  8. Effects of electrolyte salts on the performance of Li-O2 batteries

    SciTech Connect

    Nasybulin, Eduard N.; Xu, Wu; Engelhard, Mark H.; Nie, Zimin; Burton, Sarah D.; Cosimbescu, Lelia; Gross, Mark E.; Zhang, Jiguang

    2013-02-05

    It is well known that the stability of nonaqueous electrolyte is critical for the rechargeable Li-O2 batteries. Although stability of many solvents used in the electrolytes has been investigated, considerably less attention has been paid to the stability of electrolyte salt which is the second major component. Herein, we report the systematic investigation of the stability of seven common lithium salts in tetraglyme used as electrolytes for Li-O2 batteries. The discharge products of Li-O2 reaction were analyzed by X-ray diffraction, X-ray photoelectron spectroscopy and nuclear magnetic resonance spectroscopy. The performance of Li-O2 batteries was strongly affected by the salt used in the electrolyte. Lithium tetrafluoroborate (LiBF4) and lithium bis(oxalato)borate (LiBOB) decompose and form LiF and lithium borates, respectively during the discharge of Li-O2 batteries. Several other salts, including lithium bis(trifluoromethane)sulfonamide (LiTFSI), lithium trifluoromethanesulfonate (LiTf), lithium hexafluorophosphate (LiPF6), lithium perchlorate (LiClO4) , and lithium bromide (LiBr) led to the discharge products which mainly consisted of Li2O2 and only minor signs of decomposition of LiTFSI, LiTf, LPF6 and LiClO4 were detected. LiBr showed the best stability during the discharge process. As for the cycling performance, LiTf and LiTFSI were the best among the studied salts. In addition to the instability of lithium salts, decomposition of tetraglyme solvent was a more significant factor contributing to the limited cycling stability. Thus a more stable nonaqueous electrolyte including organic solvent and lithium salt still need to be further developed to reach a fully reversible Li-O2 battery.

  9. Simulation of First-Charge Oxygen-Dimerization and Mn-Migration in Li-Rich Layered Oxides xLi2MnO3 ·(1 – x )Li MO2 and Implications for Voltage Fade

    DOE PAGES

    Benedek, Roy; Iddir, Hakim

    2017-03-08

    The instabilities of Li-rich layered oxide xLi2MnO3•(1-x)LiMO2 (lithium-ion-battery cathode materials) during the first charge are investigated using first-principles dynamical simulation. To complement our earlier simulations for (x = 0.4, M = Ni0.5Mn0.5), we address here: pure Li2MnO3; small x; M compositions that include Co; a composite with Co spinel: Li2MnO3•Li2M2O4; a Li2MnO3 slab. Lastly, we discuss how the threshold fraction f of Li2(1-f)MnO3 delithiation at which instabilities occur at the surface, fth(surface), differs from that in the bulk, fth(bulk). Approaches to inhibit voltage fade are discussed.

  10. Novel polymer Li-ion binder carboxymethyl cellulose derivative enhanced electrochemical performance for Li-ion batteries.

    PubMed

    Qiu, Lei; Shao, Ziqiang; Wang, Daxiong; Wang, Feijun; Wang, Wenjun; Wang, Jianquan

    2014-11-04

    Novel water-based binder lithium carboxymethyl cellulose (CMC-Li) is synthesized by cotton as raw material. The mechanism of the CMC-Li as a binder is reported. Electrochemical properties of batteries' cathodes based on commercially available lithium iron phosphate (LiFePO4, LFP) and water-soluble binder are investigated. Sodium carboxymethyl cellulose (CMC-Na, CMC) and CMC-Li are used as the binder. After 200 cycles, compared with conventional poly(vinylidene fluoride) (PVDF) binder, the CMC-Li binder significantly improves cycling performance of the LFP cathode 96.7% of initial reversible capacity achieved at 175 mA h g(-1). Constant current charge-discharge test results demonstrate that the LFP electrode using CMC-Li as the binder has the highest rate capability, followed closely by those using CMC and PVDF binders, respectively. Electrochemical impedance spectroscopy test results show that the electrode using CMC-Li as the binder has lower charge transfer resistance than the electrodes using CMC and PVDF as the binders.

  11. Partial pressures of H 2O above the diphasic Li 2O(s)-LiOH(s, l) system

    NASA Astrophysics Data System (ADS)

    Tetenbaum, M.; Johnson, C. E.

    1984-09-01

    The temperature dependence of the partial pressure of H 2O(g) above the Li 2O(s)-LiOH(s, l) system was determined for temperatures between 300 and 617°C. The partial pressures were measured by means of a flowing gas technique combined with continuous monitoring of the concentration of water vapor in a helium carrier gas. For the reaction LiOH(s) = Li 2O(s) + H 2O(g) , second law heat and entropy of reaction values of ΔH o = 30.7 ± 0.6 kcal/mol and ΔS o = 29.5 ± 1.0 cal/mol.K were obtained. Above the melting point of LiOH (744 K), these values were ΔH o =19.9 ± 0.6 kcal/mol and ΔS o =14.8 ± 0.8 cal/mol.K . Current measurements yield ΔH mo = 5.4 ± 0.4 kcal/mol for the heat of melting of LiOH, which is in good agreement with the JANAF recommended value of 4.99 kcal/mol. The results of these measurements can be used to partially describe the behavior of a Li 2O solid breeding blanket in anticipated fusion reactor environments.

  12. Li-Ion Conductivity and Phase Stability of Ca-Doped LiBH4 under High Pressure.

    PubMed

    Mezaki, Takeya; Kuronuma, Yota; Oikawa, Itaru; Kamegawa, Atsunori; Takamura, Hitoshi

    2016-10-17

    The effect of Ca doping on the Li-ion conductivity and phase stability of the rock-salt-type LiBH4 phase emerging under high pressures in the range of gigapascals has been investigated. In situ electrochemical measurements under high pressure were performed using a cubic-anvil-type apparatus. Ca doping drastically enhanced the ionic conductivity of the rock-salt-type phase: the ionic conductivity of undoped and 5 mol %Ca-doped LiBH4 was 2.2 × 10(-4) and 1.4 × 10(-2) S·cm(-1) under 4.0 GPa at 220 °C, respectively. The activation volume of LiBH4-5 mol %Ca(BH4)2, at 3.2 cm(3)·mol(-1), was comparable to that of other fast ionic conductors, such as lithium titanate and NASICONs. Moreover, Ca-doped LiBH4 showed lithium plating-stripping behavior in a cyclic voltammogram. These results indicate that the conductivity enhancement by Ca doping can be attributed to the formation of a LiBH4-Ca(BH4)2 solid solution; however, the solid solution decomposed into the orthorhombic LiBH4 phase and the orthorhombic Ca(BH4)2 phase after unloading the high pressure.

  13. Optically pumped cerium-doped LiSrAlF.sub.6 and LiCaAlF.sub.6

    DOEpatents

    Marshall, Christopher D.; Payne, Stephen A.; Krupke, William F.

    1996-01-01

    Ce.sup.3+ -doped LiSrAlF.sub.6 crystals are pumped by ultraviolet light which is polarized along the c axis of the crystals to effectively energize the laser system. In one embodiment, the polarized fourth harmonic light output from a conventional Nd:YAG laser operating at 266 nm is arranged to pump Ce:LiSrAlF.sub.6 with the pump light polarized along the c axis of the crystal. The Ce:LiSrAlF.sub.6 crystal may be placed in a laser cavity for generating tunable coherent ultraviolet radiation in the range of 280-320 nm. Additionally, Ce-doped crystals possessing the LiSrAlF.sub.6 type of chemical formula, e.g. Ce-doped LiCaAlF.sub.6 and LiSrGaF.sub.6, can be used. Alternative pump sources include an ultraviolet-capable krypton or argon laser, or ultraviolet emitting flashlamps. The polarization of the pump light will impact operation. The laser system will operate efficiently when light in the 280-320 nm gain region is injected or recirculated in the system such that the beam is also polarized along the c axis of the crystal. The Ce:LiSrAlF.sub.6 laser system can be configured to generate ultrashort pulses, and it may be used to pump other devices, such as an optical parametric oscillator.

  14. Optically pumped cerium-doped LiSrAlF{sub 6} and LiCaAlF{sub 6}

    DOEpatents

    Marshall, C.D.; Payne, S.A.; Krupke, W.F.

    1996-05-14

    Ce{sup 3+}-doped LiSrAlF{sub 6} crystals are pumped by ultraviolet light which is polarized along the c axis of the crystals to effectively energize the laser system. In one embodiment, the polarized fourth harmonic light output from a conventional Nd:YAG laser operating at 266 nm is arranged to pump Ce:LiSrAlF{sub 6} with the pump light polarized along the c axis of the crystal. The Ce:LiSrAlF{sub 6} crystal may be placed in a laser cavity for generating tunable coherent ultraviolet radiation in the range of 280-320 nm. Additionally, Ce-doped crystals possessing the LiSrAlF{sub 6} type of chemical formula, e.g. Ce-doped LiCaAlF{sub 6} and LiSrGaF{sub 6}, can be used. Alternative pump sources include an ultraviolet-capable krypton or argon laser, or ultraviolet emitting flashlamps. The polarization of the pump light will impact operation. The laser system will operate efficiently when light in the 280-320 nm gain region is injected or recirculated in the system such that the beam is also polarized along the c axis of the crystal. The Ce:LiSrAlF{sub 6} laser system can be configured to generate ultrashort pulses, and it may be used to pump other devices, such as an optical parametric oscillator. 10 figs.

  15. Neutron diffraction study of the Li-ion battery cathode Li2FeP2O7.

    PubMed

    Barpanda, Prabeer; Rousse, Gwenaëlle; Ye, Tian; Ling, Chris D; Mohamed, Zakiah; Klein, Yannick; Yamada, Atsuo

    2013-03-18

    With a combination of magnetic susceptibility measurements and low-temperature neutron diffraction analyses, the magnetic structure of Li2FeP2O7 cathode has been solved. This pyrophosphate Li2FeP2O7 compound stabilizes into a monoclinic framework (space group P2(1)/c), having a pseudolayered structure with the constituent Li/Fe sites distributed into MO6 and MO5 building units. The magnetic susceptibility follows a Curie-Weiss behavior above 50 K. Li2FeP2O7 shows a long-range antiferromagnetic ordering at T(N) = 9 K, as characterized by the appearance of distinct additional peaks in the neutron diffraction pattern below T(N). Its magnetic reflections can be indexed with a propagation vector k = (0,0,0). The magnetic moments inside the FeO6-FeO5 clusters are ferromagnetic, whereas these clusters are antiferromagnetic along the chains. The adjacent chains are in turn ferromagnetically arranged along the a-axis. The magnetic structure of Li2FeP2O7 cathode material is described focusing on their localized spin-spin exchange. The magnetic structure and properties have been generalized for Li2FeP2O7-Li2CoP2O7 binary solid solutions.

  16. A stabilized high-energy Li-polyiodide semi-liquid battery with a dually-protected Li anode

    NASA Astrophysics Data System (ADS)

    Ren, Y. X.; Zhao, T. S.; Jiang, H. R.; Wu, M. C.; Liu, M.

    2017-04-01

    Li-polyiodide batteries are attractive because of their high energy density and excellent rate performance. Nevertheless, the polyiodide shuttle effect and Li dendrite growth over cycling result in fast degradation of the Li anode and a short cycle life. Here we report a facile yet efficient design of high-energy membrane-free Li-polyiodide battery, in which the Li anode is shielded by a pre-deposited indium (In) layer and a graphene paper layer. The proof-of-concept semi-liquid battery with such a dual-protection strategy demonstrates a remarkably enhanced cycling stability for the reasons: (i) the In layer is capable of mitigating the Li dendrite growth and resisting the polyiodide shuttle attack; and (ii) the graphene paper physically suppresses the anode surface evolution and enables the formation of a separated passivation layer. Consequently, the battery can operate with a concentrated catholyte of 6 M I- and achieves a volumetric energy density as high as 165.3 Wh L-1 (1.5 C) for 100 cycles. The high performances achieved suggest the aprotic Li-polyiodide battery with a compact and robust architecture shows the potential for various energy storage applications.

  17. Structure evolution and thermal stability of high-energy density Li-ion battery cathode Li2VO2F

    DOE PAGES

    Wang, Xiaoya; Huang, Yiqing; Ji, Dongsheng; ...

    2017-05-24

    Lithium-ion batteries (LIBs) provide high-energy-density electrochemical energy storage, which plays a central role in advancing technologies ranging from portable electronics to electric vehicles (EVs). However, a demand for lighter, more compact devices and for extended range EVs continues to fuel the need for higher energy density storage systems. Li2VO2F, which is synthesized in its lithiated state, allows two-electron transfer per formula during the electrochemical reaction providing a high theoretical capacity of 462 mAh/g. Herein, the synthesis and electrochemical performance of Li2VO2F are optimized. The thermal stability of Li2VO2F, which is related to the safety of a battery is studied bymore » thermal gravimetric analysis. The structure and vanadium oxidation state evolution along Li cycling are studied by ex-situ X-ray diffraction and absorption techniques. It is shown that the rock-salt structure of pristine Li2VO2F is stable up to at least 250°C, and is preserved upon Li cycling, which proceeds by the solid-solution mechanism. However, not all Li can be removed from the structure upon charge to 4.5 V, limiting the experimentally obtained capacity.« less

  18. Differentiating allotropic LiCoO2/Li2Co2O4: A structural and electrochemical study

    NASA Astrophysics Data System (ADS)

    Kan, Yongchun; Hu, Yuan; Ren, Yang; Bareño, Javier; Bloom, Ira; Sun, Yang-Kook; Amine, Khalil; Chen, Zonghai

    2014-12-01

    In situ high-energy X-ray diffraction was carried out to investigate the structural transformation of lithium cobalt oxides during the solid-state synthesis. Two allotropic phases were observed during the synthesis process; Li2Co2O4 with a spinel structure was formed within the temperature window between 450 °C and 650 °C, beyond which Li2Co2O4 was converted to its hexagonal counterpart, layered LiCoO2, through a cation exchange between Li and Co. In electrochemical tests, the Li2Co2O4 was estimated to have a very low reversible capacity, ∼20 mAh g-1, and a high initial irreversible capacity loss of about 80 mAh g-1. An interfacial phase between layered LiCoO2 domain and spinel Li2Co2O4 domain was also identified by ex situ high-resolution X-ray diffraction.

  19. Crystal structure and chemical bonding of novel Li-containing polar intermetallic compound La11Li12Ge16

    NASA Astrophysics Data System (ADS)

    Jung, Yaho; Nam, Gnu; Jeon, Jieun; Kim, Youngjo; You, Tae-Soo

    2012-12-01

    A novel Li-containing polar intermetallic compound La11Li12Ge16 has been synthesized using the high-temperature reaction method and characterized by both powder and single-crystal X-ray diffractions. The title compound crystallized in the orthorhombic crystal system (space group Immm, Z=2, Pearson symbol oI78) with fifteen crystallographically unique atomic positions in the asymmetric unit, and the lattice parameters are refined as a=4.5244(4) Å, b=6.9932(6) Å, and c=53.043(5) Å. The complex crystal structure of the title compound can be described as a 2:1 intergrowth of two closely related compounds: La2Li2Ge3 (Ce2Li2Ge3-type) and La3Li4Ge4 (Zr3Cu4Si4-type) acting like “building-blocks” along the c-axis. Six La sites are categorized into three distinct types based on the local coordination environment showing the coordination numbers of 12-14. Three unique Li sites are placed in the centers of local tetrahedra formed by four Ge atoms which eventually construct Ge2 dimers or 1-dimensional cis-/trans-Ge chains. Theoretical investigations using the tight-binding linear muffin-tin orbital (LMTO) method provide rationales for an improved structural stability and for unique local coordination geometries established by anionic elements including [LiGe4] tetrahedra, cis-/trans-Ge chain and Ge2 dimers.

  20. Solvothermal synthesis of Fe-doping LiMnPO4 nanomaterials for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Hu, Lingjun; Qiu, Bao; Xia, Yonggao; Qin, Zhihong; Qin, Laifen; Zhou, Xufeng; Liu, Zhaoping

    2014-02-01

    The Fe-doping LiMnPO4 (LiMn1-xFexPO4, x ≤ 0.5) nanomaterials are solvothermally synthesized in a mixed solvent of water and polyethylene glycol (PEG). The particle morphology can be controlled simply by adjusting the pH values of precursor suspensions. Electrochemical test shows that LiMn0.9Fe0.1PO4 nanoplates with a thickness of 20-30 nm could deliver the largest discharge capacity, which is attributed to the fast Li+ diffusion in the diffusion path of [010] crystallographic axis along the short radial direction of the nanoplates. It is demonstrated that Fe doping could significantly increase the initial reversible capacity, cycle performance and rate capability. The first discharge capacities of Fe-doped LiMnPO4 are all above 150 mAh g-1 at the discharge rate of 0.05 C. Especially, LiMn0.5Fe0.5PO4 delivers 100% capacity retention with the reversible capacity of 147 mAh g-1 at the discharge rate of 1 C, and losses only about 23.4% capacity with the discharge rate varying from 0.1 C to 5 C. The variation of energy density predicts that LiMn0.5Fe0.5PO4 shows the potential application for high-power devices.

  1. Novel Li₂MnO₃ nanowire anode with internal Li-enrichment for use in a Li-ion battery.

    PubMed

    Wang, Dandan; Zhao, Yunlong; Xu, Xu; Hercule, Kalele Mulonda; Yan, Mengyu; An, Qinyou; Tian, Xiaocong; Xu, Jiaming; Qu, Longbing; Mai, Liqiang

    2014-07-21

    Anode materials which undergo a conversion reaction can achieve larger specific capacities than conventional carbon-based materials. They can even achieve higher energy densities when used at low voltages. However, the large amounts of Li₂O generated in the interior of these structures when Li ions are inserted can cause volume expansion and mechanical fracturing from the inside out. This leads to a poor cycling performance and limits their commercial application. To overcome this limitation, we introduced Li ions into the interior of the cells of manganese oxide materials and successfully synthesized a novel Li-rich anode material (Li₂MnO₃). The reversible capacity reached 1279 mA h g(-1) after 500 cycles, much higher than that of pure MnO₂ or other commercial anodes. This optimization of the internal Li-enrichment and its application in Li₂MnO₃ nanowires used as low voltage anodes in Li-ion batteries have rarely been reported. Further investigations by X-ray diffraction and photoelectron spectroscopy suggested that the strategy of optimizing the internal Li-enrichment of this novel Li₂MnO₃ anode is a promising development for Li-ion batteries.

  2. Passivation of Lithium Metal Anode via Hybrid Ionic Liquid Electrolyte toward Stable Li Plating/Stripping.

    PubMed

    Li, Nian-Wu; Yin, Ya-Xia; Li, Jin-Yi; Zhang, Chang-Huan; Guo, Yu-Guo

    2017-02-01

    Hybrid electrolyte of ionic liquid and ethers is used to passivate the surface of Li metal surface via modification of the as-formed solid electrolyte interphase with N-propyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide (Py13TFSI), thereby reducing the side reactions between the Li metal and electrolyte, leading to remarkably suppressed Li dendrite growth and mitigating Li metal corrosion.

  3. Lithium and Isotopic Ratio Li6/Li7 in Magnetic roAp Stars as an Indicator of Active Processes

    NASA Astrophysics Data System (ADS)

    Polosukhina, N.; Shavrina, A.; Lyashko, D.; Nesvacil, N.; Drake, N.; Smirnova, M.

    2015-04-01

    The lines of lithium at 6708 Å and 6103 Å are analyzed in high resolution spectra of some sharp-lined and slowly rotating roAp stars. Three spectral synthesis codes— STARSP, ZEEMAN2, and SYNTHM—were used. New lines of rare earth elements (REE) from the DREAM database and the lines calculated on the basis of the NIST energy levels were included. Magnetic splitting and other line broadening processes were taken into account. For both lithium lines, the enhanced abundances of lithium in the atmospheres of the stars studied are obtained. The lithium abundance determined from the Li 6103 Å line is higher than that from the Li 6708 Å for all the stars. This may be evidence of vertical lithium stratification, abnormal temperature distribution, or unidentified blending of the 6103 Å line. Our work on two roAp stars, HD 83368 and HD 60435 (Shavrina et al. 2001) provides evidence of an enhanced lithium abundance near the magnetic-field poles. We can expect similar effects in the sharp-lined roAp stars. High lithium abundance for all the stars and the estimates of the 6Li/7Li ratio (0.2-0.5) can be explained by production of Li in the cosmic ray spallation reactions in the interstellar medium where the stars were born, and by preservation of the original 6Li and 7Li by strong magnetic fields of these stars. The values of the 6Li/7Li ratio expected from production by cosmic rays are about 0.5-0.8 (Knauth et al. 2003; Webber et al. 2002). New laboratory and theoretical gf-values for REE lines are necessary in order to refine our estimates of lithium abundances and the isotopic ratio.

  4. Y-doped Li8ZrO6: A Li-Ion Battery Cathode Material with High Capacity.

    PubMed

    Huang, Shuping; Wilson, Benjamin E; Wang, Bo; Fang, Yuan; Buffington, Keegan; Stein, Andreas; Truhlar, Donald G

    2015-09-02

    We study--experimentally and theoretically--the energetics, structural changes, and charge flows during the charging and discharging processes for a new high-capacity cathode material, Li8ZrO6 (LZO), which we study both pure and yttrium-doped. We quantum mechanically calculated the stable delithiated configurations, the delithiation energy, the charge flow during delithiation, and the stability of the delithiated materials. We find that Li atoms are easier to extract from tetrahedral sites than octahedral ones. We calculate a large average voltage of 4.04 eV vs Li/Li(+) for delithiation of the first Li atom in a primitive cell, which is confirmed by galvanostatic charge/discharge cycling data. Energy calculations indicate that topotactic delithiation is kinetically favored over decomposition into Li, ZrO2, and O2 during the charging process, although the thermodynamic energy of the topotactic reaction is less favorable. When one or two lithium atoms are extracted from a primitive cell of LZO, its volume and structure change little, whereas extraction of the third lithium greatly distorts the layered structure. The Li6ZrO6 and Li5ZrO6 delithiation products can be thermodynamically metastable to release of O2. Experimentally, materials with sufficiently small particle size for efficient delithiation and relithiation were achieved within an yttrium-doped LZO/carbon composite cathode that exhibited an initial discharge capacity of at least 200 mAh/g over the first 10 cycles, with 142 mAh/g maintained after 60 cycles. Computations predict that during the charging process, the oxygen ion near the Li vacancy is oxidized for both pure LZO and yttrium-doped LZO, which leads to a small-polaron hole.

  5. New insights into the modification mechanism of Li-rich Li1.2Mn0.6Ni0.2O2 coated by Li2ZrO3.

    PubMed

    Zhang, Jicheng; Zhang, Heng; Gao, Rui; Li, Zhengyao; Hu, Zhongbo; Liu, Xiangfeng

    2016-05-21

    Lithium-rich Mn-based layered cathode materials have attracted wide attention due to their high specific capacity for lithium-ion batteries. However, some critical issues i.e. poor rate capability and voltage fade have limited their practical applications. Herein, we propose a synchronous lithiation strategy to coat Li-rich Li1.2Mn0.6Ni0.2O2 (LMNO) with a thin layer of Li(+)-conductive Li2ZrO3. The obtained syn-Li2ZrO3@LMNO integrates the advantages of the Li2ZrO3 coating and Zr(4+) doping, and shows a much higher rate capability and cycling stability than those of the counterpart post-Li2ZrO3@LMNO fabricated by a post-coating method. More importantly, the average voltage of syn-Li2ZrO3@LMNO has been enhanced by 0.15 V and the voltage decay has also been mitigated. New insights into the synergetic modification mechanism of the Li2ZrO3 coating and Zr(4+) doping have been proposed. The coating layer of Li(+)-conductive Li2ZrO3 alleviates the surface side reactions, suppresses the transition metal dissolution and enhances the Li-ion conductivity. Meanwhile, the doping and incorporation of Zr(4+) into the host structure accompanied by the Li2ZrO3 coating expands the interplanar spacing and decreases Li/Ni mixing which facilitates Li(+) diffusion. In addition, the integration of the Li2ZrO3 coating and Zr(4+) doping also further enhances the layered structure stability and mitigates the voltage fade during lithiation/delithiation cycles. Moreover, the proposed synchronous lithiation coating route avoids the duplicated high-temperature calcinations and can also be widely used to modify some other cathode materials.

  6. Effect of Li3PO4 coating of layered lithium-rich oxide on electrochemical performance

    NASA Astrophysics Data System (ADS)

    Chen, Dongrui; Zheng, Feng; Li, Liu; Chen, Min; Zhong, Xiaoxin; Li, Weishan; Lu, Li

    2017-02-01

    A novel composite of layered lithium-rich oxide, Li-Rich@Li3PO4, coated with Li3PO4 is synthesized through polydopamine template method. Physical characterizations reveal that Li-Rich@Li3PO4 is composed of nanoparticles of 100-200 nm that are coated with a uniform Li3PO4 layer of about 5 nm in thickness. Galvanostatic charge/discharge tests demonstrate enhanced cycling stability and largely increased rate capability of the material after Li3PO4 coating.

  7. Self-assembled LiFePO4 nanowires with high rate capability for Li-ion batteries.

    PubMed

    Peng, Lele; Zhao, Yu; Ding, Yu; Yu, Guihua

    2014-08-28

    Controlling the dimensions in the nanometer scale of olivine-type LiFePO4 has been regarded as one of the most effective strategies to improve its electrochemical performance for Li-ion batteries. In this communication, we demonstrate a novel LiFePO4 nanoarchitecture, which is composed of self-assembled single-crystalline nanowires and exhibits good rate capability with a reversible capacity of ∼110 mA h g(-1) at a current rate of 30 C, and a stable capacity retention of ∼86% after 1000 cycles at a current rate of 10 C.

  8. Antiperovskite Li 3 OCl superionic conductor films for solid-state Li-ion batteries

    SciTech Connect

    Lü, Xujie; Howard, John W.; Chen, Aiping; Zhu, Jinlong; Li, Shuai; Wu, Gang; Dowden, Paul; Xu, Hongwu; Zhao, Yusheng; Jia, Quanxi

    2016-02-02

    We prepared antiperovskite Li3OCl superionic conductor films via pulsed laser deposition using a composite target. A significantly enhanced ionic conductivity of 2.0 × 10-4 S cm-1 at room temperature is achieved, and this value is more than two orders of magnitude higher than that of its bulk counterpart. Moreover, the applicability of Li3OCl as a solid electrolyte for Li-ion batteries is demonstrated.

  9. Solid-liquid phase epitaxial growth of Li4Ti5O12 thin film

    NASA Astrophysics Data System (ADS)

    Li, Ning; Katase, Takayoshi; Zhu, Yanbei; Matsumoto, Takao; Umemura, Tomonari; Ikuhara, Yuichi; Ohta, Hiromichi

    2016-12-01

    A thin film of Li4Ti5O12, a candidate anode material for solid-state Li-ion batteries, was heteroepitaxially grown on a (001) SrTiO3 substrate using solid-liquid phase epitaxy. An amorphous Li4Ti5O12 film deposited at room temperature was first heated with LiNO3 powder in air and then washed with distilled water. The Li4Ti5O12 epitaxial film was obtained by heating with molten LiNO3 at 600 °C the liquid LiNO3 completely covered the film, suppressing the formation of Li deficiencies and enhancing the low-temperature crystal growth. Solid-liquid phase epitaxy is a powerful approach to grow Li-containing-oxide films, which are difficult to fabricate because of the loss of Li species at high temperature.

  10. Towards an Understanding of Li2 O2 Evolution in Li-O2 Batteries: An In Operando Synchrotron X-ray Diffraction Study.

    PubMed

    Liu, Chenjuan; Brant, William R; Younesi, Reza; Dong, Yanyan; Edström, Kristina; Gustafsson, Torbjörn; Zhu, Jiefang

    2017-04-10

    One of the major challenges in developing high-performance Li-O2 batteries is to understand the Li2 O2 formation and decomposition during battery cycling. In this study, this issue was investigated by synchrotron radiation powder X-ray diffraction. The evolution of Li2 O2 morphology and structure was observed under actual electrochemical conditions of battery operation. By quantitatively tracking Li2 O2 during discharge and charge, a two-step process was suggested for both growth and oxidation of Li2 O2 owing to different mechanisms during two stages of both oxygen reduction reaction and oxygen evolution reaction. From an observation of the anisotropic broadening of Li2 O2 in XRD patterns, it was inferred that disc-like Li2 O2 grains are formed rapidly in the first step of discharge. These grains can stack together so that they facilitate the nucleation and growth of toroidal Li2 O2 particles with a LiO2 -like surface, which could cause parasitic reactions and hinder the formation of Li2 O2 . During the charge process, Li2 O2 is firstly oxidized from the surface, followed by a delithiation process with a faster oxidation of the bulk by stripping the interlayer Li atoms to form an off-stoichiometric intermediate. This fundamental insight brings new information on the working mechanism of Li-O2 batteries. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Composited reduced graphene oxide into LiFePO4/Li2SiO3 and its electrochemical impedance spectroscopy properties

    NASA Astrophysics Data System (ADS)

    Arifin, M.; Rus, Y. B.; Aimon, A. H.; Iskandar, F.; Winata, T.; Abdullah, M.; Khairurrijal, K.

    2017-03-01

    LiFePO4 is commonly used as cathode material for Li-ion batteries due to its stable operational voltage and high specific capacity. However, it suffers from certain disadvantages such as low intrinsic electronic conductivity and low ionic diffusion. This study was conducted to analyse the effect of reduced graphene oxide (rGO) on the electrochemical properties of LiFePO4/Li2SiO3 composite. This composite was synthesized by a hydrothermal method. Fourier transform infrared spectroscopy measurement identified the O–P–O, Fe–O, P–O, and O–Si–O‑ bands in the LiFePO4/Li2SiO3 composite. X-ray diffraction measurement confirmed the formation of LiFePO4. Meanwhile, Raman spectroscopy confirmed the number of rGO layers. Further, scanning electron microscopy images showed that rGO was distributed around the LiFePO4/Li2SiO3 particles. Finally, the electrochemical impedance spectroscopy results showed that the addition of 1 wt% of rGO to the LiFePO4/Li2SiO3 composite reduced charge transfer resistance. It may be concluded that the addition of 1 wt% rGO to LiFePO4/Li2SiO3 composite can enhance its electrochemical performance as a cathode material.

  12. Rate-dependent, Li-ion insertion/deinsertion behavior of LiFePO4 cathodes in commercial 18650 LiFePO4 cells.

    PubMed

    Liu, Qi; He, Hao; Li, Zhe-Fei; Liu, Yadong; Ren, Yang; Lu, Wenquan; Lu, Jun; Stach, Eric A; Xie, Jian

    2014-03-12

    We have performed operando synchrotron high-energy X-ray diffraction (XRD) to obtain nonintrusive, real-time monitoring of the dynamic chemical and structural changes in commercial 18650 LiFePO4/C cells under realistic cycling conditions. The results indicate a nonequilibrium lithium insertion and extraction in the LiFePO4 cathode, with neither the LiFePO4 phase nor the FePO4 phase maintaining a static composition during lithium insertion/extraction. On the basis of our observations, we propose that the LiFePO4 cathode simultaneously experiences both a two-phase reaction mechanism and a dual-phase solid-solution reaction mechanism over the entire range of the flat voltage plateau, with this dual-phase solid-solution behavior being strongly dependent on charge/discharge rates. The proposed dual-phase solid-solution mechanism may explain the remarkable rate capability of LiFePO4 in commercial cells.

  13. Design of surface protective layer of LiF/FeF 3 nanoparticles in Li-rich cathode for high-capacity Li-ion batteries

    SciTech Connect

    Zhao, Taolin; Li, Li; Chen, Renjie; Wu, Huiming; Zhang, Xiaoxiao; Chen, Shi; Xie, Man; Wu, Feng; Lu, Jun; Amine, Khalil

    2015-01-01

    Advanced lithium-ion batteries for renewable energy storage applications have become a major research interest in recent years. Much better performance can be realized by improvements in the material surface design, especially for the cathode materials. Here, we present a new design for a surface protective layer formed via a facile aqueous solution process in which a nano-architectured layer of LiF/FeF3 is epitaxially grown on bulk hierarchical Li-rich cathode Li[Li0.2Ni0.2Mn0.6]O2. Coin cell tests of this material in the voltage range of 2–4.8 V indicated a high reversible capacity (260.1 mA h g-1 at 0.1 C), superior rate performance (129.9 mA h g-1 at 20 C), and excellent capacity retention. Differential scanning calorimetry showed good thermal stability. The enhanced capacity and cycling stability are attributed to the suppression of interfacial side reactions as well as the conversion reaction resulting from the introduction of LiF/FeF3 as a surface protective layer.

  14. Emergence of Metallic Properties at LiFePO4 Surfaces and LiFePO4/Li2S Interfaces: An Ab Initio Study.

    PubMed

    Timoshevskii, Vladimir; Feng, Zimin; Bevan, Kirk H; Zaghib, Karim

    2015-08-26

    The atomic and electronic structures of the LiFePO4 (LFP) surface, both bare and reconstructed upon possible oxygenation, are theoretically studied by ab initio methods. On the basis of total energy calculations, the atomic structure of the oxygenated surface is proposed, and the effect of surface reconstruction on the electronic properties of the surface is clarified. While bare LFP(010) surface is insulating, adsorption of oxygen leads to the emergence of semimetallic behavior by inducing the conducting states in the band gap of the system. The physical origin of these conducting states is investigated. We further demonstrate that deposition of Li2S layers on top of oxygenated LFP(010) surface leads to the formation of additional conducting hole states in the first layer of Li2S surface because of the charge transfer from sulfur p-states to the gap states of LFP surface. This demonstrates that oxygenated LFP surface not only provides conducting layers itself, but also induces conducting channels in the top layer of Li2S. These results help to achieve further understanding of potential role of LFP particles in improving the performance of Li-S batteries through emergent interface conductivity.

  15. Viscosity and carbon dioxide solubility for LiPF6, LiTFSI, and LiFAP in alkyl carbonates: lithium salt nature and concentration effect.

    PubMed

    Dougassa, Yvon Rodrigue; Jacquemin, Johan; El Ouatani, Loubna; Tessier, Cécile; Anouti, Mérièm

    2014-04-10

    In this paper, we have reported the CO2 solubility in different pure alkyl carbonate solvents (EC, DMC, EMC, DEC) and their binary mixtures as EC/DMC, EC/EMC, and EC/DEC and for electrolytes [solvent + lithium salt] LiX (X = LiPF6, LiTFSI, or LiFAP) as a function of the temperature and salt concentration. To understand the parameters that influence the structure of the solvents and their ability to dissolve CO2, through the addition of a salt, we first analyzed the viscosities of EC/DMC + LiX mixtures by means of a modified Jones-Dole equation. The results were discussed considering the order or disorder introduced by the salt into the solvent organization and ion solvation sphere by calculating the effective solute ion radius, rs. On the basis of these results, the analysis of the CO2 solubility variations with the salt addition was then evaluated and discussed by determining specific ion parameters Hi by using the Setchenov coefficients in solution. This study showed that the CO2 solubility has been affected by the shape, charge density, and size of the ions, which influence the structuring of the solvents through the addition of a salt and the type of solvation of the ions.

  16. Tailoring Anisotropic Li-Ion Transport Tunnels on Orthogonally Arranged Li-Rich Layered Oxide Nanoplates Toward High-Performance Li-Ion Batteries.

    PubMed

    Xu, Ming; Fei, Linfeng; Zhang, Weibing; Li, Tao; Lu, Wei; Zhang, Nian; Lai, Yanqing; Zhang, Zhian; Fang, Jing; Zhang, Kai; Li, Jie; Huang, Haitao

    2017-03-08

    High-performance Li-rich layered oxide (LRLO) cathode material is appealing for next-generation Li-ion batteries owing to its high specific capacity (>300 mAh g(-1)). Despite intense studies in the past decade, the low initial Coulombic efficiency and unsatisfactory cycling stability of LRLO still remain as great challenges for its practical applications. Here, we report a rational design of the orthogonally arranged {010}-oriented LRLO nanoplates with built-in anisotropic Li(+) ion transport tunnels. Such a novel structure enables fast Li(+) ion intercalation and deintercalation kinetics and enhances structural stability of LRLO. Theoretical calculations and experimental characterizations demonstrate the successful synthesis of target cathode material that delivers an initial discharge capacity as high as 303 mAh g(-1) with an initial Coulombic efficiency of 93%. After 200 cycles at 1.0 C rate, an excellent capacity retention of 92% can be attained. Our method reported here opens a door to the development of high-performance Ni-Co-Mn-based cathode materials for high-energy density Li-ion batteries.

  17. Reprocessing of LiH in Molten Chlorides

    NASA Astrophysics Data System (ADS)

    Masset, Patrick J.; Gabriel, Armand; Poignet, Jean-Claude

    2008-06-01

    LiH was used as inactive material to stimulate the reprocessing of lithium tritiate in molten chlorides. The electrochemical properties (diffusion coefficients, apparent standard potentials) were measured by means of transient electrochemical techniques (cyclic voltammetry and chronopotentiometry). At 425 ºC the diffusion coefficient and the apparent standard potential were 2.5 · 10-5 cm2 s-1 and -1.8 V vs. Ag/AgCl, respectively. For the process design the LiH solubility was measured by means of DTA to optimize the LiH concentration in the molten phase. In addition electrolysis tests were carried out at 460 ºC with current densities up to 1 A cm-2 over 24 h. These results show that LiH may be reprocessed in molten chlorides consisting in the production of hydrogen gas at the anode and molten metallic lithium at the cathode.

  18. Stability of polymer binders in Li-O2 batteries

    SciTech Connect

    Nasybulin, Eduard N.; Xu, Wu; Engelhard, Mark H.; Nie, Zimin; Li, Xiaohong S.; Zhang, Jiguang

    2013-06-24

    A number of polymers with various chemical structures were studied as binders for air electrodes in Li-O2 batteries. The nature of the polymer significantly affects the binding properties in the carbon electrodes thus altering the discharge performance of Li-O2 batteries. Stability of polymers to the aggressive reduced oxygen species generated during discharge was tested by ball milling them with KO2 and Li2O2, respectively. Most of the polymers decomposed under these conditions and mechanisms of the decompositions are proposed for some of the polymers. Polyethylene was found to have excellent stability and is suggested as robust binder for air electrodes in Li-O2 batteries.

  19. Hollow Nanostructured Anode Materials for Li-Ion Batteries

    PubMed Central

    2010-01-01

    Hollow nanostructured anode materials lie at the heart of research relating to Li-ion batteries, which require high capacity, high rate capability, and high safety. The higher capacity and higher rate capability for hollow nanostructured anode materials than that for the bulk counterparts can be attributed to their higher surface area, shorter path length for Li+ transport, and more freedom for volume change, which can reduce the overpotential and allow better reaction kinetics at the electrode surface. In this article, we review recent research activities on hollow nanostructured anode materials for Li-ion batteries, including carbon materials, metals, metal oxides, and their hybrid materials. The major goal of this review is to highlight some recent progresses in using these hollow nanomaterials as anode materials to develop Li-ion batteries with high capacity, high rate capability, and excellent cycling stability. PMID:21076674

  20. Oxygen Selective Membranes for Li-Air (O2) Batteries

    PubMed Central

    Crowther, Owen; Salomon, Mark

    2012-01-01

    Lithium-air (Li-air) batteries have a much higher theoretical energy density than conventional lithium batteries and other metal air batteries, so they are being developed for applications that require long life. Water vapor from air must be prevented from corroding the lithium (Li) metal negative electrode during discharge under ambient conditions, i.e., in humid air. One method of protecting the Li metal from corrosion is to use an oxygen selective membrane (OSM) that allows oxygen into the cell while stopping or slowing the ingress of water vapor. The desired properties and some potential materials for OSMs for Li-air batteries are discussed and the literature is reviewed. PMID:24958173

  1. Anisotropic lithium ion migration in LiFePO4

    NASA Astrophysics Data System (ADS)

    Park, S. B.; Park, C. K.; Hwang, J. T.; Cho, W. I.; Jang, H.

    2011-12-01

    An anisotropic behavior of lithium ion migration in LiFePO4 is investigated using the cathode particles after chemical delithiation. A phase contrast of a LiFePO4 particle validating the directional property is also found. It suggests that the lithium ion migration path is limited to the [010] direction and the phase boundary between LiFePO4 and FePO4 is perpendicular [010]. The symmetric phase boundary inside the LiFePO4 particle is contrary to the non-directional core-shell model reported by others. The molecular dynamics simulation confirms the crystallographic direction with the lowest energy for lithium ion migration.

  2. 20-Gbps optical LiFi transport system.

    PubMed

    Ying, Cheng-Ling; Lu, Hai-Han; Li, Chung-Yi; Cheng, Chun-Jen; Peng, Peng-Chun; Ho, Wen-Jeng

    2015-07-15

    A 20-Gbps optical light-based WiFi (LiFi) transport system employing vertical-cavity surface-emitting laser (VCSEL) and external light injection technique with 16-quadrature amplitude modulation (QAM)-orthogonal frequency-division multiplexing (OFDM) modulating signal is proposed. Good bit error rate (BER) performance and clear constellation map are achieved in our proposed optical LiFi transport systems. An optical LiFi transport system, delivering 16-QAM-OFDM signal over a 6-m free-space link, with a data rate of 20 Gbps, is successfully demonstrated. Such a 20-Gbps optical LiFi transport system provides the advantage of a free-space communication link for high data rates, which can accelerate the visible laser light communication (VLLC) deployment.

  3. Characteristics of Li diffusion on silicene and zigzag nanoribbon

    NASA Astrophysics Data System (ADS)

    Yan-Hua, Guo; Jue-Xian, Cao; Bo, Xu

    2016-01-01

    We perform a density functional study on the adsorption and diffusion of Li atoms on silicene sheet and zigzag nanoribbons. Our results show that the diffusion energy barrier of Li adatoms on silicene sheet is 0.25 eV, which is much lower than on graphene and Si bulk. The diffusion barriers along the axis of zigzag silicene nanoribbon range from 0.1 to 0.25 eV due to an edge effect, while the diffusion energy barrier is about 0.5 eV for a Li adatom to enter into a silicene nanoribbon. Our calculations indicate that using silicene nanoribbons as anodes is favorable for a Li-ion battery. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074212 and 11204123) and the Natural Science Foundation of Jiangsu province, China (Grant No. BK20130945).

  4. LiCaAl/sub 6/:Cr/sup 3+/

    SciTech Connect

    Payne, S.A.; Chase, L.L.; Newkirk, H.W.; Smith, L.K.; Krupke, W.F. )

    1988-11-01

    The authors report the discovery of a new laser, LiCaAIF/sub 6/:Cr/sup 3/ (Cr/sup 3+/ :LiCAF). The intrinsic (extrapolated maximum) slope efficiency was found to be 67 percent. For comparison, they also measured the intrinsic slope efficiencies of BeAl/sub 2/O/sub 4/:Cr/sup 3+/ (alexandrite), Na/sub 3/Ga/sub 2/Li/sub 3/F/sub 12/:Cr/sup 3+/, and ScBO/sub 3/:Cr/sup 3+/, and obtained values of 65,28, and 26 percent, respectively. The tuning range of LiCaAIF/sub 6/:Cr/sup 3+/ was determined to be at least 720-840 nm. The conventional spectroscopic properties, such as the absorption, emission, and emission lifetimes as a function of temperature, are reported as well.

  5. Li-air batteries: Importance of singlet oxygen

    NASA Astrophysics Data System (ADS)

    Luntz, Alan C.; McCloskey, Bryan D.

    2017-04-01

    The deployment of Li-air batteries is hindered by severe parasitic reactions during battery cycling. Now, the reactive singlet oxygen intermediate is shown to substantially contribute to electrode and electrolyte degradation.

  6. Lead incorporation mechanism in LiF crystals

    NASA Astrophysics Data System (ADS)

    D'Acapito, F.; Pochet, P.; Somma, F.; Aloe, P.; Montereali, R. M.; Vincenti, M. A.; Polosan, S.

    2013-02-01

    The doping process of LiF with Pb has been described by using structural ab initio modeling and experimental results. The values of formation energy of several complexes involving Pb ions show that the presence of charge-balancing vacancies ease the metal incorporation in the crystal. The metal successively captures the vacancies to form a final stable complex PbLi•+VLi'. Experimental data from X-ray absorption spectroscopy confirm the presence of Pb in LiF crystals in this site revealing both Pb-F bonds and collinear Pb-F-Li atomic configurations. A maximum solubility of Pb in LiF of the order of 3×1020/cm3 can be estimated from these calculations.

  7. Automatic registration method for mobile LiDAR data

    NASA Astrophysics Data System (ADS)

    Wang, Ruisheng; Ferrie, Frank P.

    2015-01-01

    We present an automatic mutual information (MI) registration method for mobile LiDAR and panoramas collected from a driving vehicle. The suitability of MI for registration of aerial LiDAR and aerial oblique images has been demonstrated under an assumption that minimization of joint entropy (JE) is a sufficient approximation of maximization of MI. We show that this assumption is invalid for the ground-level data. The entropy of a LiDAR image cannot be regarded as approximately constant for small perturbations. Instead of minimizing the JE, we directly maximize MI to estimate corrections of camera poses. Our method automatically registers mobile LiDAR with spherical panoramas over an approximate 4-km drive, and is the first example we are aware of that tests MI registration in a large-scale context.

  8. Electrostatic model of the LiTaO3 ferroelectric

    NASA Astrophysics Data System (ADS)

    Yatsenko, A. V.

    2017-01-01

    Possible combinations of the electronic polarizability tensor components for oxygen and tantalum ions have been established based on the analysis of the refraction coefficients of LiTaO3 crystal in the far-IR region. The local electric field on structurally nonequivalent ions in the LiTaO3 unit cell was calculated within the modified point-multipole model. A combination of the electronic polarizability tensor components for oxygen and tantalum ions and their effective charges is established, which provides a good correspondence of the calculation results with the experimental data on LiTaO3 crystals obtained by 7Li nuclear magnetic resonance and 181Ta nuclear quadrupole resonance and with the known value of the crystal spontaneous polarization.

  9. The Li isotope composition of modern biogenic carbonates

    NASA Astrophysics Data System (ADS)

    Dellinger, M.; West, A. J.; Adkins, J. F.; Paris, G.; Eagle, R.; Freitas, P. S.; Bagard, M. L.; Ries, J. B.; Corsetti, F. A.; Pogge von Strandmann, P.; Ullmann, C. V.

    2015-12-01

    The lithium stable isotope composition (δ7Li) of sedimentary carbonates has great potential to unravel weathering rates and intensity in the past, with implications for understanding the carbon cycle over geologic time. However, so far very little is known about the potential influence of fractionation of the stable Li isotope composition of biogenic carbonates. Here, we investigate the δ7Li of various organisms (particularly mollusks, echinoderms and brachiopods) abundant in the Phanerozoic record, in order to understand which geologic archives might provide the best targets for reconstructing past seawater composition. The range of measured samples includes (i) modern calcite and aragonite shells from variable natural environments, (ii) shells from organisms grown under controlled conditions (temperature, salinity, pCO2), and (iii) fossil shells from a range of species collected from Miocene deposits. When possible, both the inner and outer layers of bivalves were micro-sampled to assess the intra-shell heterogeneity. For calcitic shells, the measured δ7Li of bivalve species range from +32 to +41‰ and is systematically enriched in the heavy isotope relative to seawater (31 ‰) and to inorganic calcite, which is characterized by Δ7Licalcite-seawater = -2 to -5‰ [1]. The Li isotope composition of aragonitic bivalves, ranging from +16 to +22‰, is slightly fractionated to both high and low δ7Li relative to inorganic aragonite. The largest intra-shell Li isotope variability is observed for mixed calcite-aragonite shells (more than 20‰) whereas in single mineralogy shells, intra-shell δ7Li variability is generally less than 3‰. Overall, these results suggest a strong influence of vital effects on Li isotopes during bio-calcification of bivalve shells. On the contrary, measured brachiopods systematically exhibit fractionation that is very similar to inorganic calcite, with a mean δ7Li of 27.0±1.5‰, suggesting that brachiopods may provide good

  10. An Iodide-Based Li 7 P 2 S 8 I Superionic Conductor

    DOE PAGES

    Rangasamy, Ezhiylmurugan; Liu, Zengcai; Gobet, Mallory; ...

    2015-01-20

    Stability from Instability: A Li7P2S8I solid state Li-ion conductor derived from -Li3PS4 and LiI demonstrates exceptional electrochemical stability. The oxidation instability of I is subverted nullified via its incorporation into the coordinated structure. The inclusion of I also creates stability with metallic Li anode while simultaneously improving the interfacial kinetics. Low temperature membrane processability enables facile fabrication of dense membranes, making it suitable for industrial adoption.

  11. The nature of sulfur formed in the Li/SOCl2 cell

    NASA Astrophysics Data System (ADS)

    Abraham, K. M.; Alamgir, M.; Willstaedt, E. B.

    1990-05-01

    The nature of sulfur formed as a discharge product of Li/SOCl2 cell was investigated. X-ray diffraction patterns of samples taken from the surface of the cathode of Li/SOCl2 cells and, for comparison, of orthorhombic sulfur, presented clear evidence of orthorhombic sulfur and, in case of Li/SOCl2 cells, of LiCl lines. It is concluded that the sulfur formed in Li/SOCl2 cells is, most probably, the orthorhombic allotrope.

  12. Molar conductivity calculation of Li-ion battery electrolyte based on mode coupling theory

    NASA Astrophysics Data System (ADS)

    Pu, Weihua; He, Xiangming; Lu, Jiufang; Jiang, Changyin; Wan, Chunrong

    2005-12-01

    A method is proposed to calculate molar conductivity based on mode coupling theory in which the ion transference number is introduced into the theory. The molar conductivities of LiPF6, LiClO4, LiBF4, LiAsF6 in PC (propylene carbonate) are calculated based on this method. The results fit well to the literature data. This presents a potential way to calculate the conductivities of Li-ion battery electrolytes.

  13. Molar conductivity calculation of Li-ion battery electrolyte based on mode coupling theory.

    PubMed

    Pu, Weihua; He, Xiangming; Lu, Jiufang; Jiang, Changyin; Wan, Chunrong

    2005-12-15

    A method is proposed to calculate molar conductivity based on mode coupling theory in which the ion transference number is introduced into the theory. The molar conductivities of LiPF6, LiClO4, LiBF4, LiAsF6 in PC (propylene carbonate) are calculated based on this method. The results fit well to the literature data. This presents a potential way to calculate the conductivities of Li-ion battery electrolytes.

  14. Security Analysis of Liu-Li Digital Signature Scheme

    NASA Astrophysics Data System (ADS)

    Liu, Chenglian; Zhang, Jianghong; Deng, Shaoyi

    In 2008, Liu and Li proposed a digital signature scheme without using one-way hash function and message redundancy. They claimed their scheme are more efficient in computation and communication for small device. In this paper, we will point out an new attack to certain the Liu-Li scheme is insecure. Then we give an improvement, this scheme is suitable for low power computation and mobile device.

  15. Shipborne LiDAR system for coastal change monitoring

    NASA Astrophysics Data System (ADS)

    Kim, chang hwan; Park, chang hong; Kim, hyun wook; hyuck Kim, won; Lee, myoung hoon; Park, hyeon yeong

    2016-04-01

    Coastal areas, used as human utilization areas like leisure space, medical care, ports and power plants, etc., are regions that are continuously changing and interconnected with oceans and land and the sea level has risen by about 8cm (1.9mm / yr) due to global warming from 1964 year to 2006 year in Korea. Coastal erosion due to sea-level rise has caused the problem of marine ecosystems and loss of tourism resources, etc. Regular monitoring of coastal erosion is essential at key locations with such volatility. But the survey method of land mobile LiDAR (light detection and ranging) system has much time consuming and many restrictions. For effective monitoring beach erosion, KIOST (Korea Institute of Ocean Science & Technology) has constructed a shipborne mobile LiDAR system. The shipborne mobile LiDAR system comprised a land mobile LiDAR (RIEGL LMS-420i), an INS (inertial navigation system, MAGUS Inertial+), a RTKGPS (LEICA GS15 GS25), and a fixed platform. The shipborne mobile LiDAR system is much more effective than a land mobile LiDAR system in the measuring of fore shore areas without shadow zone. Because the vessel with the shipborne mobile LiDAR system is continuously moved along the shoreline, it is possible to efficiently survey a large area in a relatively short time. Effective monitoring of the changes using the constructed shipborne mobile LiDAR system for seriously eroded coastal areas will be able to contribute to coastal erosion management and response.

  16. Li/SO2 Cell for Galileo. [process control

    NASA Technical Reports Server (NTRS)

    Blagdon, L. J.; Marcoux, L.

    1981-01-01

    Some information on the special process controls for lithium sulfur dioxide (Li/SO2) batteries is presented with reference to how those controls affected the Galileo probe program and the instrument test vehicle program. The general considerations that go into any application for basically any type of battery system are discussed. Particular emphasis is given to some of the design tradeoffs which resulted because of the addition of the safety characteristics of the Li/SO2 system.

  17. Modelling rating curves using remotely sensed LiDAR data

    USGS Publications Warehouse

    Nathanson, Marcus; Kean, Jason W.; Grabs, Thomas J.; Seibert, Jan; Laudon, Hjalmar; Lyon, Steve W.

    2012-01-01

    Accurate stream discharge measurements are important for many hydrological studies. In remote locations, however, it is often difficult to obtain stream flow information because of the difficulty in making the discharge measurements necessary to define stage-discharge relationships (rating curves). This study investigates the feasibility of defining rating curves by using a fluid mechanics-based model constrained with topographic data from an airborne LiDAR scanning. The study was carried out for an 8m-wide channel in the boreal landscape of northern Sweden. LiDAR data were used to define channel geometry above a low flow water surface along the 90-m surveyed reach. The channel topography below the water surface was estimated using the simple assumption of a flat streambed. The roughness for the modelled reach was back calculated from a single measurment of discharge. The topographic and roughness information was then used to model a rating curve. To isolate the potential influence of the flat bed assumption, a 'hybrid model' rating curve was developed on the basis of data combined from the LiDAR scan and a detailed ground survey. Whereas this hybrid model rating curve was in agreement with the direct measurements of discharge, the LiDAR model rating curve was equally in agreement with the medium and high flow measurements based on confidence intervals calculated from the direct measurements. The discrepancy between the LiDAR model rating curve and the low flow measurements was likely due to reduced roughness associated with unresolved submerged bed topography. Scanning during periods of low flow can help minimize this deficiency. These results suggest that combined ground surveys and LiDAR scans or multifrequency LiDAR scans that see 'below' the water surface (bathymetric LiDAR) could be useful in generating data needed to run such a fluid mechanics-based model. This opens a realm of possibility to remotely sense and monitor stream flows in channels in remote

  18. Repetitively pulsed Cr:LiSAF laser for lidar applications

    SciTech Connect

    Shimada, Tsutomu; Early, J.W.; Lester, C.S.; Cockroft, N.J.

    1994-03-01

    A Cr:LiSAF laser has been successfully operated at time averaged powers up to 11 W and at pulse repetition rates to 12 Hz. During Q-switch operation, output energy as high as 450 mJ (32 ns FWHM) was obtained. Finally, line narrowed Q-switched pulses (< 0.1 nm) from the Cr:LiSAF laser were successfully used as a tunable light source for lidar to measure atmospheric water content.

  19. New Anode Material for Rechargeable Li-ION Cells

    NASA Technical Reports Server (NTRS)

    Huang, C. -K.; Smart, M.; Halpert, G.; Surampudi, S.; Wolfenstine, J.

    1995-01-01

    Carbon materials, such as graphite, cokes, pitch and PAN fibers, are being evaluated in lithium batteries as alternate anode materials with some degree of success. There is an effort to look for other non-carbon anode materials which have larger Li capacity, higher rate capability, smaller first charge capacity loss and better mechanical stability during cycling. A Li-Mg-Si material is evaluated.

  20. Electrochemical performance of V-doped spinel Li4Ti5O12/C composite anode in Li-half and Li4Ti5O12/LiFePO4-full cell

    NASA Astrophysics Data System (ADS)

    Yang, Chun-Chen; Hu, Huai-Chou; Lin, S. J.; Chien, Wen-Chen

    2014-07-01

    This work reports the preparation of a V-doped Li4Ti5O12/C (donated as V-doped LTO/C) composite material, applying a solid-state method. Both metal doping and carbon coating are applied on the Li4Ti5O12 material, enhancing its rate capability and cycle stability. Furan polymer is used as a carbon source, and vanadium (V) is selected as a dopant. The properties of the materials are examined by X-ray diffraction (XRD), micro-Raman, scanning electron microscopy (SEM), high-resolution transmission microscopy (HR-TEM), the AC impedance method, and the galvanostatic charge/discharge method. For comparison, Li4Ti5O12/C composite materials with and without V doping are also examined. The Li4Ti4.90V0.10O12/C composite material achieves discharge capacities of 165.59 and 76.76 mAh g-1 at a 0.2/1C and 0.2/20C rate, respectively. A Li4Ti5O12/LiFePO4 full cell (LTO capacity-limited) is constructed and investigated. The full cell exhibits discharge capacities of 181, 178, 167, 142, 110, and 78 mAh g-1 at 0.2, 0.5, 1, 3, 5, and 10C, respectively. We determine that the Li4Ti4.95V0.05O12/C composite anode is an outstanding candidate for application in high-power Li-ion batteries.

  1. New Anode Material for Rechargeable Li-ION Cells

    NASA Technical Reports Server (NTRS)

    Huang, C. -K.; Smart, M.; Halpert, G.; Surampudi, S.; Wolfenstine, J.

    1995-01-01

    Carbon materials, such as graphite, cokes, pitch and PAN fibers, are being evaluated in lithium batteries as alternate anode materials with some degree of success. There is an effort to look for other non-carbon anode materials which have larger Li capacity, higher rate capability, smaller first charge capacity loss and better mechanical stability during cycling. A Li-Mg-Si material is evaluated.

  2. The Reaction Kinetics of LiD with Water Vapor

    SciTech Connect

    Balooch, M; Dinh, L N; Calef, D F

    2003-04-01

    The interaction of LiD with water vapor in the partial pressure range of 10{sup -7} Torr to 20 Torr has been investigated. The reaction probability of water with pure LiD cleaved in an ultra high vacuum environment was obtained using the modulated molecular beam technique. This probability was 0.11 and independent of LiD surface temperature suggesting a negligible activation energy for the reaction in agreement with quantum chemical calculations. The value gradually reduced, however, to .007 as the surface concentration of oxygen containing product (LiOH), which was monitored in-situ by Auger electron spectroscopy on the reaction zone, approached full coverage. As the hydroxide film grew beyond a monolayer, the phase lag of hydrogen product increased from zero to 20 degrees and the reaction probability reduced further until it approached our detection limit ({approx} 10{sup -4}). This phase lag was attributed to a diffusion limited process in this regime. In separate experiments, the film growth has been studied in nitrogen atmosphere with 100% relative humidity using thermogravimetric analysis (TGA) and in air with 50% relative humidity utilizing scanning electron microscopy (SEM). For exposures to environment with high water concentrations and for micrometer thick films, the reaction probability reduced to 4 x 10{sup -7} and was independent of exposure time, The lattice diffusion through the film was no longer controlling the transport of water to the LiD/LiOH interface. Microcracks generated in the film to release stress provided easier pathways to the interface. A modified microscope, capable of both atomic force microscopy (AFM) and nanoindentation, was employed to investigate the surface morphology of LiOH.H{sub 2}O grown on LiOH at high water vapor partial pressures and the kinetics of this growth.

  3. 7Li and 14N NMR studies of phase II-III transition in LiNH4SO4 single crystals

    NASA Astrophysics Data System (ADS)

    Lim, Ae Ran

    2016-12-01

    The NMR spectra of 7Li and 14N nuclei in LiNH4SO4 crystals were obtained near the phase transition temperature TC2=284.5 K. Below TC2, the two physically inequivalent Li groups in phase III were distinguished in 7Li NMR spectra. Meanwhile, the 14N NMR spectra in phase II above TC2 showed four pairs of lines, where as those in phase III showed eight pairs. These changes in the resonance frequencies near TC2 were attributed to the structural phase transition. The 7Li and 14N nuclei in the structure are coordinated through the Li-O-H-N skeleton. Therefore, changes in their NMR spectra with temperature are correlated. The displacements of 7Li and 14N in LiNH4SO4 crystals play important roles in the phase transition near TC2.

  4. Investigation of interfacial resistance between LiCoO 2 cathode and LiPON electrolyte in the thin film battery

    NASA Astrophysics Data System (ADS)

    Jeong, Eunkyung; Hong, Chan; Tak, Yongsug; Nam, Sang Cheol; Cho, Sungbaek

    All solid-state thin film battery was prepared with conventional sputtering technologies. Low conductivity of lithium phosphorus oxynitride (LiPON) electrolyte and higher resistance at the interface of LiCoO 2/LiPON was crucial for the development of thin film battery. Presence of thermally treated Al 2O 3 thin film at the interface of LiCoO 2/LiPON decreased the interfacial resistance and increased the discharge capacity with the better cycling behaviors. Surface analysis and electrochemical impedance measurement indicate the formation of solid solution LiCo 1- yAl yO 2 at the interface of LiCoO 2/LiPON.

  5. Fluoro-Carbonate Solvents for Li-Ion Cells

    SciTech Connect

    NAGASUBRAMANIAN,GANESAN

    1999-09-17

    A number of fluoro-carbonate solvents were evaluated as electrolytes for Li-ion cells. These solvents are fluorine analogs of the conventional electrolyte solvents such as dimethyl carbonate, ethylene carbonate, diethyl carbonate in Li-ion cells. Conductivity of single and mixed fluoro carbonate electrolytes containing 1 M LiPF{sub 6} was measured at different temperatures. These electrolytes did not freeze at -40 C. We are evaluating currently, the irreversible 1st cycle capacity loss in carbon anode in these electrolytes and the capacity loss will be compared to that in the conventional electrolytes. Voltage stability windows of the electrolytes were measured at room temperature and compared with that of the conventional electrolytes. The fluoro-carbon electrolytes appear to be more stable than the conventional electrolytes near Li voltage. Few preliminary electrochemical data of the fluoro-carbonate solvents in full cells are reported in the literature. For example, some of the fluorocarbonate solvents appear to have a wider voltage window than the conventional electrolyte solvents. For example, methyl 2,2,2 trifluoro ethyl carbonate containing 1 M LiPF{sub 6} electrolyte has a decomposition voltage exceeding 6 V vs. Li compared to <5 V for conventional electrolytes. The solvent also appears to be stable in contact with lithium at room temperature.

  6. Georeferenced LiDAR 3D Vine Plantation Map Generation

    PubMed Central

    Llorens, Jordi; Gil, Emilio; Llop, Jordi; Queraltó, Meritxell

    2011-01-01

    The use of electronic devices for canopy characterization has recently been widely discussed. Among such devices, LiDAR sensors appear to be the most accurate and precise. Information obtained with LiDAR sensors during reading while driving a tractor along a crop row can be managed and transformed into canopy density maps by evaluating the frequency of LiDAR returns. This paper describes a proposed methodology to obtain a georeferenced canopy map by combining the information obtained with LiDAR with that generated using a GPS receiver installed on top of a tractor. Data regarding the velocity of LiDAR measurements and UTM coordinates of each measured point on the canopy were obtained by applying the proposed transformation process. The process allows overlap of the canopy density map generated with the image of the intended measured area using Google Earth®, providing accurate information about the canopy distribution and/or location of damage along the rows. This methodology was applied and tested on different vine varieties and crop stages in two important vine production areas in Spain. The results indicate that the georeferenced information obtained with LiDAR sensors appears to be an interesting tool with the potential to improve crop management processes. PMID:22163952

  7. Anion-redox nanolithia cathodes for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Zhu, Zhi; Kushima, Akihiro; Yin, Zongyou; Qi, Lu; Amine, Khalil; Lu, Jun; Li, Ju

    2016-08-01

    The development of lithium-air batteries is plagued by a high potential gap (>1.2 V) between charge and discharge, and poor cyclability due to the drastic phase change of O2 (gas) and Ox- (condensed phase) at the cathode during battery operations. Here we report a cathode consisting of nanoscale amorphous lithia (nanolithia) confined in a cobalt oxide, enabling charge/discharge between solid Li2O/Li2O2/LiO2 without any gas evolution. The cathode has a theoretical capacity of 1,341 Ah kg-1, a mass density exceeding 2.2 g cm-3, and a practical discharge capacity of 587 Ah kg-1 at 2.55 V versus Li/Li+. It also displays stable cycling performance (only 1.8% loss after 130 cycles in lithium-matched full-cell tests against Li4Ti5O12 anode), as well as a round-trip overpotential of only 0.24 V. Interestingly, the cathode is automatically protected from O2 gas release and overcharging through the shuttling of self-generated radical species soluble in the carbonate electrolyte.

  8. Magnetic and Diffusive Nature of LiFePO4

    NASA Astrophysics Data System (ADS)

    Sugiyama, Jun; Nozaki, Hiroshi; Kamazawa, Kazuya; Ofer, Oren; Månsson, Martin; Ansaldo, Eduardo J.; Brewer, Jess H.; Chow, Kim H.; Watanabe, Isao; Ikedo, Yutaka; Miyake, Yasuhiro; Kobayashi, Genki; Kanno, Ryoji

    In order to elucidate the magnetism and Li diffusion in LiFePO4, we have measured muon-spin rotation and relaxation (μ+SR) spectra for a polycrystalline LiFePO4 sample in the temperature range between 1.8 and 500 K. Below TN ∼ 52 K, two oscillatory signals together with onefast relaxation signal were clearly found in the zero-field (ZF) μ+SR spectrum. The three signals are reasonably explained using an antiferromagnetic (AF) spin structure proposedby neutron measurements, because electrostatic potential calculations suggests multiple different muon sites in the LiFePO4 lattice. However, the AF ordered moment estimated from μ+SR was about 3/4 of that reported by neutron, probably due to a different time window between the two techniques. In the paramagnetic state, ZF-and longitudinal-field (LF-) μ+SR spectraexhibiteda dynamic nuclear field relaxation. From the temperature dependence of the field fluctuation rate, a diffusion coeffcient of Li+ ions (DLi) at300K was estimated about 3.6×10-10 cm2/s, assuming that diffusing Li+ ions jump between the regular site and interstitial sites.

  9. Te/C nanocomposites for Li-Te Secondary Batteries.

    PubMed

    Seo, Jeong-Uk; Seong, Gun-Kyu; Park, Cheol-Min

    2015-01-22

    New battery systems having high energy density are actively being researched in order to satisfy the rapidly developing market for longer-lasting mobile electronics and hybrid electric vehicles. Here, we report a new Li-Te secondary battery system with a redox potential of ~1.7 V (vs. Li(+)/Li) adapted on a Li metal anode and an advanced Te/C nanocomposite cathode. Using a simple concept of transforming TeO2 into nanocrystalline Te by mechanical reduction, we designed an advanced, mechanically reduced Te/C nanocomposite electrode material with high energy density (initial discharge/charge: 1088/740 mA h cm(-3)), excellent cyclability (ca. 705 mA h cm(-3) over 100 cycles), and fast rate capability (ca. 550 mA h cm(-3) at 5C rate). The mechanically reduced Te/C nanocomposite electrodes were found to be suitable for use as either the cathode in Li-Te secondary batteries or a high-potential anode in rechargeable Li-ion batteries. We firmly believe that the mechanically reduced Te/C nanocomposite constitutes a breakthrough for the realization and mass production of excellent energy storage systems.

  10. Synthesis and characterisation of copper doped Ca-Li hydroxyapatite

    NASA Astrophysics Data System (ADS)

    Pogosova, M. A.; Kazin, P. E.; Tretyakov, Y. D.

    2012-08-01

    Hydroxyapapites M10(PO4)6(OH)2 (MHAP), where M is an alkaline earth metal, colored by incorporation of copper ions substituting protons, were discovered recently [1]. Now this kind of apatite-type materials can be used as inorganic pigments. Until now blue (BaHAP), violet (SrHAP) and wine-red (CaHAP) colors were achieved by the copper ions introduction [2]. The task of the present work was to study possibility of further M-ion substitution to affect the color and shift it toward the red-orange tint. Polycrystalline hydroxyapatites Ca10-xLix+yCuz(PO4)6O2H2-y-z-σ (Ca-LiHAP) were synthesized by solid state reaction at 1150 °C (ceramic method) and studied by X-ray powder diffraction (XRD), infrared absorption and diffuse-reflectance spectroscopy. Refinement of the X-ray diffraction patterns by the Rietveld method shows that CaHAP unit cell parameters are a little bigger, than Ca-LiHAP ones. Small difference between unit cell parameters could be caused by two ways of the Li+ ions introduction: (1) at the Ca2+ sites (Ca-Li substitution); (2) into hexagonal channels (H-Li substitution). The Li ions doping changes the color of the copper doped CaHAP from wine-red to pink and red.

  11. Film formation in LiBOB-containing electrolytes

    NASA Astrophysics Data System (ADS)

    Panitz, Jan-Christoph; Wietelmann, Ulrich; Wachtler, Mario; Ströbele, Sandra; Wohlfahrt-Mehrens, Margret

    Lithium bis(oxalato)borate (LiBOB), a new electrolyte salt for lithium batteries, is actively involved in the formation of the solid electrolyte interphase (SEI) at the anode. Part of this formation is an irreversible reductive reaction taking place at potentials of around 1.75 V versus Li/Li + and contributing to the irreversible capacity of anode materials in the first cycle. Cyclic voltammetry has been performed on several carbon materials as well as on Li 4Ti 5O 12 and pre-treated glassy carbon electrodes in order to achieve a better understanding of the underlying processes. It is found that the intensity of the 1.75 V peak depends on the BET specific surface area and the surface chemistry of the active material and increases with the amount of oxygen-containing surface functionalities. It is not specific to carbonaceous materials but is also observed on carbon-free anodes like Li 4Ti 5O 12. In addition, the effect of several potential impurities and of film-forming additives on the filming behaviour of LiBOB-containing electrolytes has been investigated.

  12. Neutron scattering studies of the hydration structure of Li+.

    PubMed

    Mason, P E; Ansell, S; Neilson, G W; Rempe, S B

    2015-02-05

    New results derived from the experimental method of neutron diffraction and isotopic substitution (NDIS) are presented for the hydration structure of the lithium cation (Li(+)) in aqueous solutions of lithium chloride in heavy water (D2O) at concentrations of 6, 3, and 1 m and at 1.5 m lithium sulfate. By introducing new and more-accurate data reduction procedures than in our earlier studies (I. Howell and G. W. Neilson, J. Phys: Condens. Matter, 1996, 8, 4455-4463), we find, in the first hydration shell of Li(+), ∼4.3(2) water molecules at 6 m, 4.9(3) at 3 m, 4.8(3) at 1 m in the LiCl solutions, and 5.0(3) water molecules in the case of Li2SO4 solution. The general form of the first hydration shell is similar in all four solutions, with the correlations for Li-O and Li-D sited at 1.96 (0.02) Å and 2.58 (0.02) Å, respectively. The results resemble those presented in 1996, in terms of ion-water distances and local coordination, but the hydration number is significantly lower for the case at 1 m than the 6.5 (1.0) given at that time. Thus, experimental and theoretical results now agree that lithium is hydrated by a small number of water molecules (4-5) in the nearest coordination shell.

  13. Te/C nanocomposites for Li-Te Secondary Batteries

    NASA Astrophysics Data System (ADS)

    Seo, Jeong-Uk; Seong, Gun-Kyu; Park, Cheol-Min

    2015-01-01

    New battery systems having high energy density are actively being researched in order to satisfy the rapidly developing market for longer-lasting mobile electronics and hybrid electric vehicles. Here, we report a new Li-Te secondary battery system with a redox potential of ~1.7 V (vs. Li+/Li) adapted on a Li metal anode and an advanced Te/C nanocomposite cathode. Using a simple concept of transforming TeO2 into nanocrystalline Te by mechanical reduction, we designed an advanced, mechanically reduced Te/C nanocomposite electrode material with high energy density (initial discharge/charge: 1088/740 mA h cm-3), excellent cyclability (ca. 705 mA h cm-3 over 100 cycles), and fast rate capability (ca. 550 mA h cm-3 at 5C rate). The mechanically reduced Te/C nanocomposite electrodes were found to be suitable for use as either the cathode in Li-Te secondary batteries or a high-potential anode in rechargeable Li-ion batteries. We firmly believe that the mechanically reduced Te/C nanocomposite constitutes a breakthrough for the realization and mass production of excellent energy storage systems.

  14. Lithium hydroxide, LiOH, at elevated densities

    SciTech Connect

    Hermann, Andreas; Ashcroft, N. W.; Hoffmann, Roald

    2014-07-14

    We discuss the high-pressure phases of crystalline lithium hydroxide, LiOH. Using first-principles calculations, and assisted by evolutionary structure searches, we reproduce the experimentally known phase transition under pressure, but we suggest that the high-pressure phase LiOH-III be assigned to a new hydrogen-bonded tetragonal structure type that is unique amongst alkali hydroxides. LiOH is at the intersection of both ionic and hydrogen bonding, and we examine the various ensuing structural features and their energetic driving mechanisms. At P = 17 GPa, we predict another phase transition to a new phase, Pbcm-LiOH-IV, which we find to be stable over a wide pressure range. Eventually, at extremely high pressures of 1100 GPa, the ground state of LiOH is predicted to become a polymeric structure with an unusual graphitic oxygen-hydrogen net. However, because of its ionic character, the anticipated metallization of LiOH is much delayed; in fact, its electronic band gap increases monotonically into the TPa pressure range.

  15. Georeferenced LiDAR 3D vine plantation map generation.

    PubMed

    Llorens, Jordi; Gil, Emilio; Llop, Jordi; Queraltó, Meritxell

    2011-01-01

    The use of electronic devices for canopy characterization has recently been widely discussed. Among such devices, LiDAR sensors appear to be the most accurate and precise. Information obtained with LiDAR sensors during reading while driving a tractor along a crop row can be managed and transformed into canopy density maps by evaluating the frequency of LiDAR returns. This paper describes a proposed methodology to obtain a georeferenced canopy map by combining the information obtained with LiDAR with that generated using a GPS receiver installed on top of a tractor. Data regarding the velocity of LiDAR measurements and UTM coordinates of each measured point on the canopy were obtained by applying the proposed transformation process. The process allows overlap of the canopy density map generated with the image of the intended measured area using Google Earth(®), providing accurate information about the canopy distribution and/or location of damage along the rows. This methodology was applied and tested on different vine varieties and crop stages in two important vine production areas in Spain. The results indicate that the georeferenced information obtained with LiDAR sensors appears to be an interesting tool with the potential to improve crop management processes.

  16. Li+ ion transport studies in Li2O-Li2SO4-ZnO-B2O3 glass system

    NASA Astrophysics Data System (ADS)

    Kolavekar, Sangeeta B.; Lakshmikantha, R.; Ayachit, N. H.; Anavekar, R. V.

    2013-06-01

    Li+ ion transport studies have been carried in Li2O-Li2SO4-ZnO-B2O3 glass system. Electrical conductivity has been measured out over a wide range of temperature (450K-500K) and frequencies (40 Hz - 10 MHz). The dc conductivities show Arrhenius behavior and show compositional dependence. The ac conductivity behavior has been analyzed using Almond-West power law using a single exponent. The exponent `s' obtained from the power law fits is found to have values ranging from 0.36 - 0.45 in these glasses and shows temperature dependence, which is attributed to high degree of modification in the glass network.

  17. 6Li in metal-poor halo stars: real or spurious?

    NASA Astrophysics Data System (ADS)

    Steffen, M.; Cayrel, R.; Bonifacio, P.; Ludwig, H.-G.; Caffau, E.

    2010-03-01

    The presence of convective motions in the atmospheres of metal-poor halo stars leads to systematic asymmetries of the emergent spectral line profiles. Since such line asymmetries are very small, they can be safely ignored for standard spectroscopic abundance analysis. However, when it comes to the determination of the 6Li/7Li isotopic ratio, q(Li)=n(6Li)/n(7Li), the intrinsic asymmetry of the 7Li line must be taken into account, because its signature is essentially indistinguishable from the presence of a weak 6Li blend in the red wing of the 7Li line. In this contribution we quantity the error of the inferred 6Li/7Li isotopic ratio that arises if the convective line asymmetry is ignored in the fitting of the λ6707 Å lithium blend. Our conclusion is that 6Li/7Li ratios derived by Asplund et al. (2006), using symmetric line profiles, must be reduced by typically Δq(Li) ≈ 0.015. This diminishes the number of certain 6Li detections from 9 to 4 stars or less, casting some doubt on the existence of a 6Li plateau.

  18. Controllable synthesis, morphology evolution and electrochemical properties of LiFePO4 cathode materials for Li-ion batteries.

    PubMed

    Song, Jianjun; Wang, Lin; Shao, Guangjie; Shi, Meiwu; Ma, Zhipeng; Wang, Guiling; Song, Wei; Liu, Shuang; Wang, Caixia

    2014-05-07

    Monodispersed LiFePO4 nanocrystals with diverse morphologies were successfully synthesized via a mild and controllable solvothermal approach with a mixture of ethylene glycol and oleic acid as the solvent. Morphology evolution of LiFePO4 nanoparticles from nanoplates to nanorods can be simply realized by varying the volume ratio of oleic acid to ethylene glycol. Moreover, the mechanism of competitive adsorption between ethylene glycol and oleic acid was proposed for the formation of different morphologies. Electrochemical measurements show that the LiFePO4/C nanorods have an initial discharge capacity of 155 mA h g(-1) at 0.5 C with a capacity retention of 80% at a high rate of 5 C, which confirms that LiFePO4/C nanorods exhibit excellent rate capability and cycling stability.

  19. Microscopic analysis of 11 Li elastic scattering on protons and breakup processes within 9Li+2n cluster model

    NASA Astrophysics Data System (ADS)

    Spasova, K.; Lukyanov, V. K.; Kadrev, D. N.; Antonov, A. N.; Zemlyanaya, E. V.; Lukyanov, K. V.; Gaidarov, M. K.

    2014-09-01

    Theoretical analysis of the elastic scattering and breakup in interactions of the 11Li nucleus with protons are presented. The hybrid model of the microscopic optical potential (OP) is applied. The OP includes the single-folding real part, while its imaginary part is derived within the high-energy approximation (HEA) theory. The spin-orbit contribution to the OP is also included. The differential cross sections of 11Li+p elastic scattering and the total reaction cross sections are calculated at energies of 62, 68.4, and 75 MeV/nucleon and are compared with the available experimental data. The breakup cross sections at 62 MeV/nucleon and the momentum distributions of the fragments using a two cluster model of the 11 Li nucleus are obtained. An analysis of the single-particle density of 11Li is performed.

  20. Structural Evolution and Li Dynamics in Nanophase Li3PS4 by Solid-State and Pulsed Field Gradient NMR

    SciTech Connect

    Gobet, Mallory; Greenbaum, Steve; Sahu, Gayatri; Liang, Chengdu

    2014-01-01

    The ceramic lithium ion conductor -Li3PS4 has a disordered and nanoporous structure that leads to an enhancement in ionic conductivity by some three orders of magnitude compared to the crystalline phase. The phase is prepared by thermal treatment of an inorganic-organic complex based on Li3PS4 and THF. Multinuclear (1H, 6,7Li, 31P) solid state NMR spectroscopy is used to characterize the structural phase evolution of the starting material at various steps in the thermal treatment. The phase formed after high temperature treatment is recognized as spectroscopically distinct from the bulk -Li3PS4 compound. Also formed is an amorphous lithium thiophosphate phase that is metastable as verified by annealing over an extended period. Lithium ion self-diffusion coefficients are measurable by standard pulsed gradient NMR methods at 100oC and with values consistent with the high ionic conductivity previously reported for this material.