Study of the efficiency of AgCl, In2O3, Ga2O3, NaF, LiF and SrF2 as spectrographic carriers in the quantitative analysis of eighteen microcompound elements in uranium

International Nuclear Information System (INIS)

Gomes, R.P.; Lordello, A.R.; Abrao, A.

1977-01-01

A comparative study of the efficiency of some spectrochemical carriers (AgCl, In 2 O 3 , Ga 2 O 3 , NaF, LiF and SrF 2 ) is presented for the quantitative spectrographic analysis of Ag, Al, B, Bi, Cd, Cr, Cu, Fe, Mg, Mn, Mo, Ni, P, Pb, Si, Sn, V and Zn in uranium and its compounds. The volatility behaviour of the eighteen elements was verified by means of the moving plate technique for each of the mentioned carriers. The final aim was the selection of the carriers for the determination of trace amounts of the impurities. The best results were obtained with 4% In 2 O 3 , 6% AgCl and 6% NaF in a U 3 O 8 matrix. The sensitivities for some elements were extended to fractions of p.p.m. The precision, accuracy and acceptability of the method were calculated for all elements. The total error values are approximately in the range of 16-45% [pt

Dosimetric characteristics of Li2B4O7:Cu,Ag,P solid TL detectors

International Nuclear Information System (INIS)

Proki, M.

2002-01-01

The main dosimetric characteristics are presented of newly prepared tissue-equivalent, highly sensitive thermoluminescent detector, Li 2 B 4 O 7 :Cu,Ag,P in the form of sintered pellets, developed at the Institute of Nuclear Sciences, Vin a . As a result of an advancement in the preparation procedure by the sensitising of basic copper activated lithium borate TL material, significant improvement in the TL sensitivity of Li 2 B 4 O 7 :Cu,Ag,P was gained. The glow curve of Li 2 B 4 O 7 :Cu,Ag,P consists of well defined main dosimetric peak situated at about 185-190 deg. C with the TL sensitivity which is about four to five times higher than that of LiF:Mg,Ti (TLD-100). From the experimental results a very wide linear dose response range, up to 10 3 Gy is evident. Dosimetric characteristics make sintered solid Li 2 B 4 O 7 :Cu,Ag,P TL detectors very promising for different dosimetry applications particularly in medical dosimetry and also for individual monitoring. (author)

LiVO/sub 3/-Li/sub 2/Mo(W)O/sub 4/ and NaVO/sub 3/-Na/sub 2/Cr(Mo)O/sub 4/ systems

Energy Technology Data Exchange (ETDEWEB)

Belyaev, I N; Lupeiko, T G; Vyalikova, V I [Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

1975-09-01

The systems LiVO/sub 3/-Li/sub 2/MoO/sub 4/, LiVO/sub 3/-Li/sub 2/WO/sub 4/, NaNO/sub 3/-Na/sub 2/CrO/sub 4/, NaNO/sub 3/-Na/sub 2/MoO/sub 4/ were studied with thermographic and partially visual polythermal methods of physical and chemical analyses. Except NaVO/sub 3/-Na/sub 2/MoO/sub 4/ all investigated systems are eutectic ones with limited solid solutions on the basis of some component; the eutectics melt at 542, 544, 550/sup 0/C and contain 25, 20 and 26% of Li/sub 2/MoO/sub 4/, Li/sub 2/WO/sub 4/ and Na/sub 2/CrO/sub 4/ respectively. The system NaNO/sub 3/-Na/sub 2/MoO/sub 4/ contains compound 18 NaVO/sub 3/.11Na/sub 2/MoO/sub 4/ congruently melting at 570/sup 0/C. Two eutectics of the system have melting points at 542 and 548/sup 0/C and contain 47 and 67% of Na/sub 2/MoO/sub 4/.

Estudio del Sistema Li2SO4 – Na2SO4. Diagrama de fases y caracterización del LiNaSO4

Directory of Open Access Journals (Sweden)

Font-Bardia, M.

2004-08-01

Full Text Available An exhaustive study of the phase diagram of binary system Li2SO4-Na2SO4 is presented. Phase diagram was determined using thermo-X-ray diffraction in powder samples and calorimetry ATD. A new phase with formula Li2-xNaxSO4 has been obtained, with 1 ≤ x ≤ 1.22. The crystal structure of β-LiNaSO4 was determined from single-crystal X-ray diffraction. This study shows that the crystals usually become twinned when the growth is by solution; which explains the poor spontaneous polarization. The Raman dispersion of Li2SO4, Na2SO4 and LiNaSO4 compounds is explained from the structural data. The measurements have been made at different heating and cooling rate.Se presenta un estudio exhaustivo del diagrama de fase del sistema binario Li2SO4-Na2SO4. El diagrama de fases se determinó mediante termo-difractometría de rayos-X en muestras de polvo y calorimetría ATD. Se obtiene una nueva fase de fórmula Li2-xNaxSO4, con 1 ≤ x ≤ 1.22. La estructura cristalina de β-LiNaSO4 se determinó por difracción de rayos-X sobre un monocristal. Este estudio muestra que los cristales usualmente se maclan cuando el crecimiento es por solución, lo cual explica la baja polarización espontánea. Se explica la dispersión Raman de los compuestos Li2SO4, Na2SO4 y LiNaSO4, a partir de los datos estructurales. Las medidas experimentales se han efectuado a diferentes velocidades de calentamiento y enfriamiento.

Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

Science.gov (United States)

Umamaheswari, R.; Yogeswari, M.; Kalpana, G.

2013-02-01

Self-consistent scalar relativistic band structure calculations for AMO (A=Li, Na, K and Rb; M=Ag and Cu) compounds have been performed using the tight-binding linear muffin-tin orbital (TB-LMTO) method within the local density approximation (LDA). At ambient conditions, these compounds are found to crystallize in tetragonal KAgO-type structure with two different space group I-4m2 and I4/mmm. Nowadays, hypothetical structures are being considered to look for new functional materials. AMO compounds have stoichiometry similar to eight-electron half-Heusler materials of type I-I-VI which crystallizes in cubic (C1b) MgAgAs-type structure with space group F-43m. For all these compounds, by interchanging the positions of atoms in the hypothetical cubic structure, three phases (α, β and γ) are formed. The energy-volume relation for these compounds in tetragonal KAgO-type structure and cubic α, β and γ phases of related structure have been obtained. Under ambient conditions these compounds are more stable in tetragonal KAgO-type (I4/mmm) structure. The total energies calculated within the atomic sphere approximation (ASA) were used to determine the ground state properties such as equilibrium lattice parameters, c/a ratio, bulk modulus, cohesive energy and are compared with the available experimental results. The results of the electronic band structure calculations at ambient condition show that LiCuO and NaMO are indirect band gap semiconductors whereas KMO and RbMO are direct band gap semiconductors. At high pressure the band gap decreases and the phenomenon of band overlap metallization occur. Also these compounds undergo structural phase transition from tetragonal I-4m2 phase to cubic α-phase and transition pressures were calculated.

Ionic conductivity and Raman spectra of Na--Li, K--Li, and K--Sn β-Al2O3

International Nuclear Information System (INIS)

Kaneda, T.; Bates, J.B.; Wang, J.C.; Engstrom, H.

1979-01-01

The ionic conductivity and Raman spectra of Na, Na--Li, K, K--Li, and K--Sn β-Al 2 O 3 were measured in order to understand the mechanisms of mixed-ion conduction. It was observed that at 300 0 K, for example, the conductivity of a crystal with composition Na 0 . 82 Li 0 . 18 β-Al 2 O 3 was about one-fifth that of pure Na cyrstals, while the conductivity of K 0 . 80 Li 0 . 20 β-Al 2 O 3 was more than three orders of magnitude lower than that of pure K compounds. The results of a model calculation indicated that the Li + ions are the main carrier species in the Na--Li and K--Li mixed compounds. Features observed in the Raman spectra were attributed to paired- and single-ion vibrations. It is concluded that the K + ions which contribute to a band at 69 cm -1 in K β-Al 2 O 3 are the effective carriers for conduction

Thermoluminescent properties of LiF:NaF multilayers thin films

International Nuclear Information System (INIS)

Mauricio, Claudia Lucia P.; Mauricio, Marcos H.P.; Nunes, Raul A.

1996-01-01

LiF and NaF and LiF:NaF multilayer films were grown by the assisted physical deposition method of beam evaporation. All films were grown by the assisted physical deposition method of e-beam evaporation. All films were made with a deposition rate of 10 A/s on aluminium and stainless steel substrates. Both substrates were kept at room temperature, 150 deg C and 300 deg C. The films were irradiated with 10 Gy in a 60 Co source. The thermoluminescence (TL) glow curves are similar for both substrates, with only a small dislocation in temperature of about 10 deg C. This dislocation in temperature are supposed to be related with its different thermal conductivity. The TL glow curves of films grown on aluminium substrates are more intense. TL of LiF films are similar of the TL of LiF crystals. The TL glow curves of multilayer LiF:NaF films can not be explained as a simple superposition of the glow curves of individual LiF and NaF layers. Thin layers of NaF seems not change very much the glow peaks structure of LiF films. (author)

Optically stimulated luminescence (OSL) from Ag-doped Li{sub 2}B{sub 4}O{sub 7} crystals

Energy Technology Data Exchange (ETDEWEB)

Kananen, B.E.; Maniego, E.S.; Golden, E.M.; Giles, N.C.; McClory, J.W. [Department of Engineering Physics, Air Force Institute of Technology, Wright-Patterson Air Force Base, OH 45433 (United States); Adamiv, V.T.; Burak, Ya.V. [Vlokh Institute of Physical Optics, Dragomanov 23, L’viv 79005 (Ukraine); Halliburton, L.E., E-mail: Larry.Halliburton@mail.wvu.edu [Department of Physics and Astronomy, West Virginia University, Morgantown, WV 26506 (United States)

2016-09-15

Optically stimulated luminescence (CW-OSL) is observed from Ag-doped lithium tetraborate (Li{sub 2}B{sub 4}O{sub 7}) crystals. Photoluminescence, optical absorption, and electron paramagnetic resonance (EPR) are used to identify the defects participating in the OSL process. As-grown crystals have Ag{sup +} ions substituting for Li{sup +} ions. They also have Ag{sup +} ions occupying interstitial sites. During a room-temperature exposure to ionizing radiation, holes are trapped at the Ag{sup +} ions that replace Li{sup +} ions and electrons are trapped at the interstitial Ag{sup +} ions, i.e., the radiation forms Ag{sup 2+} (4d{sup 9}) ions and Ag{sup 0} (4d{sup 10}5s{sup 1}) atoms. These Ag{sup 2+} and Ag{sup 0} centers have characteristic EPR spectra. The Ag{sup 0} centers also have a broad optical absorption band peaking near 370 nm. An OSL response is observed when the stimulation wavelength overlaps this absorption band. Specifically, stimulation with 400 nm light produces an intense OSL response when emission is monitored near 270 nm. Electrons optically released from the Ag{sup 0} centers recombine with holes trapped at Ag{sup 2+} ions to produce the ultraviolet emission. The OSL response is progressively smaller as the stimulation light is moved to longer wavelengths (i.e., away from the 370 nm peak of the absorption band of the Ag{sup 0} electron traps). Oxygen vacancies are also present in the Ag-doped Li{sub 2}B{sub 4}O{sub 7} crystals, and their role in the OSL process as a secondary relatively short-lived electron trap is described.

Polycrystalline V2O5/Na0.33V2O5 electrode material for Li+ ion redox supercapacitor

International Nuclear Information System (INIS)

Manikandan, Ramu; Justin Raj, C.; Rajesh, Murugesan; Kim, Byung Chul; Park, Sang Yeup; Cho, Bo-Bae; Yu, Kook Hyun

2017-01-01

Highlights: • Different polycrystalline V 2 O 5 /Na 0.33 V 2 O 5 nanostructures were synthesized via simple co-precipitation technique. • The various molar ratios of NaOH precipitator determine the morphology, structural and electrochemical properties of V/Na. • The equimolar ratio of reactant and precipitator shows the formation of ∼96% of pure crystalline phase of V 2 O 5 . • Li + ions intercalation and deintercalation process enhanced the specific capacitance. - Abstract: This work essentially offers a new kind of V 2 O 5 /Na 0.33 V 2 O 5 as electrochemical active material for the development of Li + ion redox supercapacitors. Here, polycrystalline mixed phase of V 2 O 5 /Na 0.33 V 2 O 5 (V/Na) nanostructures are synthesized via simple co-precipitation technique. The various molar ratio of precipitator (NaOH) in the synthesis process displays different nanostructures of V/Na. The structural and morphological properties of V/Na samples are studied using physico-chemical analysis methods. The electrochemical properties of V/Na nanostructured samples are performed using cyclic voltammetry, galvanostatic charge/discharge test and electrochemical impedance spectroscopy techniques in 1 M LiClO 4 aqueous electrolyte. The sample V/Na synthesized using equimolar ratio of vanadium salt and precipitator displayed nanopellet morphology, which exhibited the highest capacitance value of 334 Fg −1 at 1 Ag −1 discharge current density. Moreover, these polycrystalline V/Na nanostructured electrodes show excellent electrochemical properties with comparable stability after 1000 charge/discharge cycles.

A Sensor Based on LiCl/NaA Zeolite Composites for Effective Humidity Sensing.

Science.gov (United States)

Zhang, Ying; Xiang, Hongyu; Sun, Liang; Xie, Qiuhong; Liu, Man; Chen, Yu; Ruan, Shengping

2018-03-01

LiCl/NaA zeolite composites were successfully prepared by doping 1 wt%, 2 wt%, 5 wt%, and 8 wt% of LiCl into NaA zeolite. The humidity sensing properties of LiCl/NaA composites were investigated among 11% 95% relative humidity (RH). The LiCl/NaA composites exhibited better humidity sensing properties than pure NaA zeolite. The sensor made by 2 wt% Li-doped NaA zeolite possesses the best linearly in the whole RH. These results demonstrate that the LiCl/NaA composites have the potential application in humidity sensing.

Coincidence Doppler broadening and 3DAP study of the pre-precipitation stage of an Al-Li-Cu-Mg-Ag alloy

International Nuclear Information System (INIS)

Honma, T.; Yanagita, S.; Hono, K.; Nagai, Y.; Hasegawa, M.

2004-01-01

Pre-precipitation solute clustering in Al-Li-Cu-Mg-Ag and Al-Cu-Mg-Ag alloys has been investigated by coincidence Doppler broadening (CDB) spectroscopy of positron annihilation and three-dimensional atom probe (3DAP) analysis. Although Ag-Mg co-clusters form in the Al-Cu-Mg-Ag alloy in the early stage of aging, no evidence for the co-cluster formation was obtained from the Li containing alloy using 3DAP. While CDB spectra indicated that vacancies are associated with Ag after aging for 15 s in the Al-Cu-Mg-Ag alloy, vacancy-Ag association is suppressed in the Li containing alloy. Based on the 3DAP and CDB results, the reasons for the completely different clustering behaviors observed in these two similar alloys are discussed

Enhancement of the optical, thermal and electrical properties of PEO/PAM:Li polymer electrolyte films doped with Ag nanoparticles

Science.gov (United States)

Morsi, M. A.; El-Khodary, Sherif A.; Rajeh, A.

2018-06-01

Both lithium bromide (LiBr) and biosynthesized silver nanoparticles (Ag NPs) with average size 2-30 nm have been incorporated into the polymeric matrix of polyethylene oxide and polyacrylamide (PEO/PAM) blend by the casting method. FT-IR analysis indicates the formation of hydrogen bond between the blend components. Also, LiBr and Ag NPs interact with the functional groups of PEO/PAM matrix. The results of XRD analysis depict the semi-crystalline nature of these polymer samples and the degree of crystallinity is decreased due to the addition process. The values of optical energy gap from UV-Vis. data are decreased from 3.55 eV for blend to 3.26 for the nanocomposite sample in the indirect transition. LiBr/Ag NPs assist the improvement of the thermal stability of the PEO/PAM blend, as evidenced by TGA and DTA techniques. Upon the addition of LiBr and Ag NPs, an improvement for the conductivity, dielectric permittivity (έ) and dielectric loss (ἕ) of PEO/PAM solid polymer electrolytes are observed. It's clear that the improvement of the electrical conductivity and dielectric parameters for PEO/PAM: Li+/Ag NPs polymer electrolyte system makes it as a promising candidate for solid-state Li battery applications.

Electronic structure and molecular dynamics of Na2Li

Science.gov (United States)

Malcolm, Nathaniel O. J.; McDouall, Joseph J. W.

Following the first report (Mile, B., Sillman, P. D., Yacob, A. R. and Howard, J. A., 1996, J. chem. Soc. Dalton Trans , 653) of the EPR spectrum of the mixed alkali-metal trimer Na2Li a detailed study has been made of the electronic structure and structural dynamics of this species. Two isomeric forms have been found: one of the type, Na-Li-Na, of C , symmetry and another, Li-Na-Na, of C symmetry. Also, there are two linear saddle points which correspond to 'inversion' transition structures, and a saddle point of C symmetry which connects the two minima. A molecular dynamics investigation of these species shows that, at the temperature of the reported experiments (170 K), the C minimum is not 'static', but undergoes quite rapid inversion. At higher temperatures the C minimum converts to the C form, but by a mechanism very different from that suggested by minimum energy path considerations. 2 2v s s 2v 2v s

Crystals structure of Na3Li(TiF6)2

International Nuclear Information System (INIS)

Popov, D.Yu.; Antokhina, T.F.; Gerasimenko, A.V.; Kajdalova, T.A.; Sergienko, V.I.

2004-01-01

Crystals of Na 3 Li(TiF 6 ) 2 (1) were synthesized in aqueous solution and characterized by the elementary and X-ray phase analysis methods. According to X-ray diffraction analysis data compound 1 is crystallized in a tetragonal crystal system with the following parameters: a=5.130(1), c=18.046(4) A, Z=2, space group P4-bar2 1 c. Alternating layers on the basis of dimers made up by octahedrons of TiF 6 and Na(1)F 6 constitute the frame of compound 1 crystal structure. The dimer layers are joined in a continuous frame by Na(2) and Li cations. Coordination polyhedron of Li atom is tetrahedron (Li-F 1.898(3) A) [ru

Cubic Crystal-Structured SnTe for Superior Li- and Na-Ion Battery Anodes.

Science.gov (United States)

Park, Ah-Ram; Park, Cheol-Min

2017-06-27

A cubic crystal-structured Sn-based compound, SnTe, was easily synthesized using a solid-state synthetic process to produce a better rechargeable battery, and its possible application as a Sn-based high-capacity anode material for Li-ion batteries (LIBs) and Na-ion batteries (NIBs) was investigated. The electrochemically driven phase change mechanisms of the SnTe electrodes during Li and Na insertion/extraction were thoroughly examined utilizing various ex situ analytical techniques. During Li insertion, SnTe was converted to Li 4.25 Sn and Li 2 Te; meanwhile, during Na insertion, SnTe experienced a sequential topotactic transition to Na x SnTe (x ≤ 1.5) and conversion to Na 3.75 Sn and Na 2 Te, which recombined into the original SnTe phase after full Li and Na extraction. The distinctive phase change mechanisms provided remarkable electrochemical Li- and Na-ion storage performances, such as large reversible capacities with high Coulombic efficiencies and stable cyclabilities with fast C-rate characteristics, by preparing amorphous-C-decorated nanostructured SnTe-based composites. Therefore, SnTe, with its interesting phase change mechanisms, will be a promising alternative for the oncoming generation of anode materials for LIBs and NIBs.

Synthesis and characterization of nano- and microcrystalline cubes of pure and Ag-doped LiF

Science.gov (United States)

Alharbi, Najlaa D.; Salah, Numan; Habib, Sami S.; Alarfaj, Esam

2013-01-01

Lithium fluoride (LiF) produced in single crystals and doped with proper activators is a highly sensitive phosphor used in several applications such as integrated optics, colour centre laser and radiation dosimetry. In this work, we have developed a new synthetic chemical co-precipitation route for the synthesis of well-crystallized micro- and nanocrystalline cubes of pure and silver (Ag)-doped LiF. The as-synthesized samples were characterized by x-ray diffraction (XRD), scanning electron microscopy, absorption spectrum, photoluminescence (PL) and Raman spectroscopy. Size of the produced cubes could be controlled in the range 10 µm-50 nm by varying the solvent : co-solvent ratio. Micro-sized cubes could be grown in the presence of water as a solvent, while ethanol, which acts as a co-solvent, is found to be effective in reducing the size to the nanoscale. XRD results show complete crystalline structures in a griceite phase. The PL result of pure nanocubes exhibits a broad band in the range 370-550 nm, while that doped with Ag shows a prominent band at 420 nm. Raman spectra of the pure and Ag-doped LiF samples display several bands located in the range 80-236 cm-1. These results show that pure nanocubes of LiF have active colour centres without irradiation, which could be enhanced/modified by Ag dopants. This implies that these nanocubes might be useful in the development of optical devices.

Synthesis and characterization of nano- and microcrystalline cubes of pure and Ag-doped LiF

International Nuclear Information System (INIS)

Alharbi, Najlaa D; Salah, Numan; Habib, Sami S; Alarfaj, Esam

2013-01-01

Lithium fluoride (LiF) produced in single crystals and doped with proper activators is a highly sensitive phosphor used in several applications such as integrated optics, colour centre laser and radiation dosimetry. In this work, we have developed a new synthetic chemical co-precipitation route for the synthesis of well-crystallized micro- and nanocrystalline cubes of pure and silver (Ag)-doped LiF. The as-synthesized samples were characterized by x-ray diffraction (XRD), scanning electron microscopy, absorption spectrum, photoluminescence (PL) and Raman spectroscopy. Size of the produced cubes could be controlled in the range 10 µm-50 nm by varying the solvent:co-solvent ratio. Micro-sized cubes could be grown in the presence of water as a solvent, while ethanol, which acts as a co-solvent, is found to be effective in reducing the size to the nanoscale. XRD results show complete crystalline structures in a griceite phase. The PL result of pure nanocubes exhibits a broad band in the range 370-550 nm, while that doped with Ag shows a prominent band at 420 nm. Raman spectra of the pure and Ag-doped LiF samples display several bands located in the range 80-236 cm -1 . These results show that pure nanocubes of LiF have active colour centres without irradiation, which could be enhanced/modified by Ag dopants. This implies that these nanocubes might be useful in the development of optical devices.

Nanoconfined NaAlH4 Conversion Electrodes for Li Batteries

DEFF Research Database (Denmark)

Huen, Priscilla; Peru, Filippo; Charalambopoulou, Georgia

2017-01-01

-Type anode in Li-ion batteries. Here, NaAlH4 nanoconfined in carbon scaffolds as an anode material for Li-ion batteries is reported for the first time. Nanoconfined NaAlH4 was prepared by melt infiltration into mesoporous carbon scaffolds. In the first cycle, the electrochemical reversibility of nanoconfined...

Microstructure-property relationships in Al-Cu-Li-Ag-Mg Weldalite (tm) alloys, part 2

Science.gov (United States)

Langan, T. J.; Pickens, J. R.

1991-01-01

The microstructure and mechanical properties of the ultrahigh strength Al-Cu-Li-Ag-Mg alloy, Weldalite (tm) 049, were studied. Specifically, the microstructural features along with tensile strength, weldability, Young's modulus and fracture toughness were studied for Weldalite (tm) 049 type alloys with Li contents ranging from 1.3 to 1.9 wt. pct. The tensile properties of Weldalite 049 and Weldalite 049 reinforced with TiB2 particles fabricated using the XD (tm) process were also evaluated at cryogenic, room, and elevated temperatures. In addition, an experimental alloy, similar in composition to Weldalite 049 but without the Ag+Mg, was fabricated. The microstructure of this alloy was compared with that of Weldalite 049 in the T6 condition to assess the effect of Ag+Mg on nucleation of strengthening phases in the absence of cold work.

Failure of the Hume-Rothery stabilization mechanism in the Ag5Li8 gamma-brass studied by first-principles FLAPW electronic structure calculations

International Nuclear Information System (INIS)

Mizutani, U; Asahi, R; Noritake, T; Sato, H; Takeuchi, T

2008-01-01

The first-principles FLAPW (full potential linearized augmented plane wave) electronic structure calculations were performed for the Ag 5 Li 8 gamma-brass, which contains 52 atoms in a unit cell and has been known for many years as one of the most structurally complex alloy phases. The calculations were also made for its neighboring phase AgLi B2 compound. The main objective in the present work is to examine if the Ag 5 Li 8 gamma-brass is stabilized at the particular electrons per atom ratio e/a = 21/13 in the same way as some other gamma-brasses like Cu 5 Zn 8 and Cu 9 Al 4 , obeying the Hume-Rothery electron concentration rule. For this purpose, the e/a value for the Ag 5 Li 8 gamma-brass as well as the AgLi B2 compound was first determined by means of the FLAPW-Fourier method we have developed. It proved that both the gamma-brass and the B2 compound possess an e/a value equal to unity instead of 21/13. Moreover, we could demonstrate why the Hume-Rothery stabilization mechanism fails for the Ag 5 Li 8 gamma-brass and proposed a new stability mechanism, in which the unique gamma-brass structure can effectively lower the band-structure energy by forming heavily populated bonding states near the bottom of the Ag-4d band

Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr systems

Directory of Open Access Journals (Sweden)

Hao D.

2012-01-01

Full Text Available The Na-X (X = Si, Ag, Cu, Cr systems have been critically reviewed and modeled by means of the CALPHAD approach. The two compounds, NaSi and Ag2Na, are treated as stoichiometric ones. By means of first-principles calculations, the enthalpies of formation at 0 K for the LT-NaSi (low temperature form of NaSi and Ag2Na have been computed to be -5210 and -29821.8 Jmol-1, respectively, with the desire to assist thermodynamic modeling. One set of self-consistent thermodynamic parameters is obtained for each of these binary systems. Comparisons between calculated and measured phase diagrams show that most of the experimental information can be satisfactorily accounted for by the present thermodynamic descriptions.

Modification of Ag shell on upconversion populating paths of NaYF4:Yb3+,Er3+@Ag nanocomposites

International Nuclear Information System (INIS)

Sun, Jiao; Liu, Haipeng; Wu, Di; Dong, Biao; Sun, Liankun

2013-01-01

NaYF 4 :Yb 3+ ,Er 3+ @Ag core–shell nanocomposites were prepared. Due to the outer shell of Ag, some modifications were found on the upconversion (UC) processes of NaYF 4 :Yb 3+ ,Er 3+ core nanoparticles (NPs) caused by the co-interaction of surface effect, surface plasma absorption effect and local thermal effect under infrared radiation. Upon 980 nm excitation, the relative UC intensity of the green ( 2 H 11/2 , 4 S 3/2 – 4 I 15/2 ) to red ( 4 F 9/2 – 4 I 15/2 ) and the slope of power-dependence increased intensively, and three-photon population process for the green level appeared. -- Highlights: ► NaYF 4 :Yb 3+ ,Er 3+ @Ag core/shell nanocomposites were fabricated. ► The coating of Ag outer shell leads to the increase of the green UCL. ► Three-photon population process for the green level appeared after Ag coating.

Tuning the Solid Electrolyte Interphase for Selective Li- and Na-Ion Storage in Hard Carbon

Energy Technology Data Exchange (ETDEWEB)

Soto, Fernando A. [Department of Chemical Engineering, Texas A& M University, College Station TX 77843-3122 USA; Yan, Pengfei [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Engelhard, Mark H. [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Marzouk, Asma [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, P.O. Box 5825 Doha Qatar; Wang, Chongmin [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Xu, Guiliang [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue Argonne IL 60439 USA; Chen, Zonghai [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue Argonne IL 60439 USA; Amine, Khalil [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue Argonne IL 60439 USA; Liu, Jun [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Sprenkle, Vincent L. [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; El-Mellouhi, Fedwa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, P.O. Box 5825 Doha Qatar; Balbuena, Perla B. [Department of Chemical Engineering, Texas A& M University, College Station TX 77843-3122 USA; Li, Xiaolin [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA

2017-03-07

Solid-electrolyte interphase (SEI) films with controllable properties are highly desirable for improving battery performance. In this paper, a combined experimental and theoretical approach is used to study SEI films formed on hard carbon in Li- and Na-ion batteries. It is shown that a stable SEI layer can be designed by precycling an electrode in a desired Li- or Na-based electrolyte, and that ionic transport can be kinetically controlled. Selective Li- and Na-based SEI membranes are produced using Li- or Na-based electrolytes, respectively. The Na-based SEI allows easy transport of Li ions, while the Li-based SEI shuts off Na-ion transport. Na-ion storage can be manipulated by tuning the SEI layer with film-forming electrolyte additives, or by preforming an SEI layer on the electrode surface. The Na specific capacity can be controlled to < 25 mAh g(-1); approximate to 1/10 of the normal capacity (250 mAh g(-1)). Unusual selective/ preferential transport of Li ions is demonstrated by preforming an SEI layer on the electrode surface and corroborated with a mixed electrolyte. This work may provide new guidance for preparing good ion-selective conductors using electrochemical approaches.

Integrated readout of organic scintillator and ZnS:Ag/6LiF for segmented antineutrino detectors

International Nuclear Information System (INIS)

Kiff, Scott D.; Reyna, David; Monahan, James; Bowden, Nathaniel S.

2010-01-01

Antineutrino detection using inverse beta decay conversion has demonstrated the capability to measure nuclear reactor power and fissile material content for nuclear safeguards. Current efforts focus on aboveground deployment scenarios, for which highly efficient capture and identification of neutrons is needed to measure the anticipated antineutrino event rates in an elevated background environment. In this submission, we report on initial characterization of a new scintillation-based segmented design that uses layers of ZnS:Ag/ 6 LiF and an integrated readout technique to capture and identify neutrons created in the inverse beta decay reaction. Laboratory studies with multiple organic scintillator and ZnS:Ag/ 6 LiF configurations reliably identify 6 Li neutron captures in 60 cm-long segments using pulse shape discrimination.

Catalyzed Na2LiAlH6 for hydrogen storage

International Nuclear Information System (INIS)

Ma, X.Z.; Martinez-Franco, E.; Dornheim, M.; Klassen, T.; Bormann, R.

2005-01-01

In the present study, the complex alanate Na 2 LiAlH 6 is synthesized by high-energy milling of powder blends containing NaH and LiAlH 4 . The related thermodynamics are determined. In addition, a comprehensive study was performed to investigate the influence of different oxide and halide catalysts on the kinetics of hydrogen absorption and desorption, as well as their general drawback to decrease storage capacity

Tuning the Solid Electrolyte Interphase for Selective Li- and Na-Ion Storage in Hard Carbon

Energy Technology Data Exchange (ETDEWEB)

Soto, Fernando A. [Department of Chemical Engineering, Texas A& M University, College Station TX 77843-3122 USA; Yan, Pengfei [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Engelhard, Mark H. [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Marzouk, Asma [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, P.O. Box 5825 Doha Qatar; Wang, Chongmin [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Xu, Guiliang [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue Argonne IL 60439 USA; Chen, Zonghai [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue Argonne IL 60439 USA; Amine, Khalil [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue Argonne IL 60439 USA; Liu, Jun [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; Sprenkle, Vincent L. [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA; El-Mellouhi, Fedwa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, P.O. Box 5825 Doha Qatar; Balbuena, Perla B. [Department of Chemical Engineering, Texas A& M University, College Station TX 77843-3122 USA; Li, Xiaolin [Pacific Northwest National Laboratory, 902 Battelle Boulevard Richland WA 99354 USA

2017-03-07

Solid-electrolyte interphase (SEI) with controllable properties are highly desirable to improve battery performance. In this paper, we use a combined experimental and simulation approach to study the SEI formation on hard carbon in Li and Na-ion batteries. We show that with proper additives, stable SEI can be formed on hard carbon by pre-cycling the electrode materials in Li or Na-ion electrolyte. Detailed mechanistic studies suggest that the ion transport in the SEI layer is kinetically controlled and can be tuned by the applied voltage. Selective Na and Li-ion SEI membranes are produced using the Na or Li-ion based electrolytes respectively. The large Na ion SEI allows easy transport of Li ions, while the small Li ion SEI shuts off the Na-ion transport. Na-ion storage can be manipulated by tuning the SEI with film-forming electrolyte additives or preforming a SEI on the electrodes’ surface. The Na specific capacity can be controlled to <25 mAh/g, ~1/10 of the normal capacity (250 mAh/g). Unusual selective/preferential transport of Li-ion is demonstrated by preforming a SEI on the electrode’s surface and corroborated with a mixed electrolyte. This work may provide new guidance for preparing good ion selective conductors using electrochemical approaches in the future.

Spontaneous nano-gap formation in Ag film using NaCl sacrificial layer for Raman enhancement

Science.gov (United States)

Min, Kyungchan; Jeon, Wook Jin; Kim, Youngho; Choi, Jae-Young; Yu, Hak Ki

2018-03-01

We report the method of fabrication of nano-gaps (known as hot spots) in Ag thin film using a sodium chloride (NaCl) sacrificial layer for Raman enhancement. The Ag thin film (20-50 nm) on the NaCl sacrificial layer undergoes an interfacial reaction due to the AgCl formed at the interface during water molecule intercalation. The intercalated water molecules can dissolve the NaCl molecules at interfaces and form the ionic state of Na+ and Cl-, promoting the AgCl formation. The Ag atoms can migrate by the driving force of this interfacial reaction, resulting in the formation of nano-size gaps in the film. The surface-enhanced Raman scattering activity of Ag films with nano-size gaps has been investigated using Raman reporter molecules, Rhodamine 6G (R6G).

Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation

International Nuclear Information System (INIS)

Mortazavi, Bohayra; Dianat, Arezoo; Cuniberti, Gianaurelio; Rabczuk, Timon

2016-01-01

Silicene, germanene and stanene likely to graphene are atomic thick material with interesting properties. We employed first-principles density functional theory (DFT) calculations to investigate and compare the interaction of Na or Li ions on these films. We first identified the most stable binding sites and their corresponding binding energies for a single Na or Li adatom on the considered membranes. Then we gradually increased the ions concentration until the full saturation of the surfaces is achieved. Our Bader charge analysis confirmed complete charge transfer between Li or Na ions with the studied 2D sheets. We then utilized nudged elastic band method to analyze and compare the energy barriers for Li or Na ions diffusions along the surface and through the films thicknesses. Our investigation findings can be useful for the potential application of silicene, germanene and stanene for Na or Li ion batteries.

Enhanced Electrochemical Performance of Electrospun Ag/Hollow Glassy Carbon Nanofibers as Free-standing Li-ion Battery Anode

International Nuclear Information System (INIS)

Shilpa; Sharma, Ashutosh

2015-01-01

Silver with a high theoretical capacity for lithium storage is an attractive alloy based anode for Li-ion batteries, but large volume changes associated with AgLi x alloy formation leads to electrode cracking, pulverization and rapid capacity fading. A buffer matrix, like the electrospun hollow carbon nanofibers, can reduce this problem to a great extent. Herein, we demonstrate the facile synthesis of a free-standing, binder free Ag-C hybrid electrode through co-axial electrospinning, where well dispersed Ag nanoparticles are embedded in hollow carbon nanofibers. Using this approach, the long cycle life of carbon is complemented with the high lithium storage capacity of Ag, resulting in a high performance anode. The Ag-C composite electrode delivers a capacity of 739 mAh g −1 (>conventional graphite anodes) at 50 mA g −1 , with ∼85% capacity retention after 100 cycles. In addition, the Ag-C composite nanofibers are highly porous and exhibit a large accessible surface area (∼726.9 m 2 g −1 ) with an average pore diameter of ∼6.07 nm. The encapsulation of Ag in the hollow interiors not only provides additional lithium storage sites but also enhances the electronic conductivity, which combined with the reduced lithium diffusion path lengths in the nanofibers result in faster charge-discharge kinetics and hence a high rate performance

Complex phosphates in the Li(Na)3PO4-InPO4 systems

International Nuclear Information System (INIS)

Potapova, A.M.; Zimina, G.V.; Smirnova, I.N.; Novoselov, A.V.; Spiridonov, F.M.; Stefanovich, S.Yu.

2008-01-01

Subsolidus sections in the systems Li 3 PO 4 -InPO 4 (950 deg C) and Na 3 PO 4 -InPO 4 (800, 900, and 1000 deg C) have been studied by X-ray powder diffraction. The compound Li 3 In(PO 4 ) 2 has been synthesized, and the NASICON-type solid solution Li 3(1-x) In 2+x (PO 4 ) 3 (0.67 ≤ x ≤ 0.80) has been found to exist. In the system Na 3 PO 4 -InPO 4 , the solid solution Na 3(1-x) In x/3 PO 4 (0 ≤ x ≤ 0.2) and two complex phosphates exist: Na 3 In(PO 4 ) 2 and Na 3 In 2 (PO 4 ) 3 . These complex phosphates are dimorphic, with the irreversible-transition temperature equal to 675 and 820 deg C, respectively. Na 3 In(PO 4 ) 2 degrades at 920 deg C. Ionic conductivity has been measured in some phases in the system [ru

Flame photometric determination of Na, K and Li in uranium compounds

International Nuclear Information System (INIS)

Sabato, S.F.; Lordello, A.R.

1985-01-01

A flame photometric method for the determination of Na, K and Li in uranium compounds is described. The uranium is separated by solvent extraction from hydrochloric acid medium with tri-butyl phosphate. Amounts of uranium in order of 20 μg/ml don't cause any interference in the photometric results. The element Na presents a residual concentration due to the contamination of the reagents. The relative standard deviation is about 10% for the three elements. The relative error varies with the concentration of the element and it is between 1 and 24% for Na, between O and 12% for K and between O and 33% for Li. (Author) [pt

Vrijeme latencije kao indikator iskrivljavanja odgovora na upitnicima ličnosti

OpenAIRE

Parmač, Maja; Galić, Zvonimir; Jerneić, Željko

2009-01-01

Cilj istraživanja bio je provjeriti model disimulacije na česticama upitnika ličnosti koji su postavili Holden, Kroner, Fakken i Popham (1992). Model objašnjava procese koji se nalaze u osnovi razlika u vremenima odgovaranja iskrenih ispitanika i ispitanika koji iskrivljavaju svoje odgovore. Temeljna je pretpostavka modela da ispitanici prilikom odgovaranja na upitnik ličnosti uspoređuju čestice upitnika s trenutnom kognitivnom shemom te da postoji interakcija te sheme i socijalne poželjnosti...

ITO-free flexible organic photovoltaics with multilayer MoO3/LiF/MoO3/Ag/MoO3 as the transparent electrode

International Nuclear Information System (INIS)

Chen, Shilin; Dai, Yunjie; Zhang, Hongmei; Zhao, Dewei

2016-01-01

We present efficient flexible organic photovoltaics (OPVs) with multiple layers of molybdenum oxide (MoO 3 )/LiF/MoO 3 /Ag/MoO 3 as the transparent electrode, where the thin Ag layer yields high conductivity and the dielectric layer MoO 3 /LiF/MoO 3 has high transparency due to optical interference, leading to improved power conversion efficiency compared with indium tin oxide (ITO) based devices. The MoO 3 contacting organic active layer is used as a buffer layer for good hole extraction. Thus, the multilayer MoO 3 /LiF/MoO 3 /Ag/MoO 3 can improve light transmittance and also facilitate charge carrier extraction. Such an electrode shows excellent mechanical bendability with a 9% reduction of efficiency after 1000 cycles of bending due to the ductile nature of the thin metal layer and dielectric layer used. Our results suggest that the MoO 3 /LiF/MoO 3 /Ag/MoO 3 multilayer electrode is a promising alternative to ITO as an electrode in OPVs. (paper)

Modification of Ag shell on upconversion populating paths of NaYF{sub 4}:Yb{sup 3+},Er{sup 3+}@Ag nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Sun, Jiao [Norman Bethune College of Medicine, Jilin University, Changchun, Jilin Province 130021 (China); Liu, Haipeng [Department of Plastic and Reconstructive Surgery, The First Hospital of JiLin University, Jilin Province 130021 (China); Wu, Di [Norman Bethune College of Medicine, Jilin University, Changchun, Jilin Province 130021 (China); Dong, Biao, E-mail: dongb@jlu.edu.cn [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Sun, Liankun [Norman Bethune College of Medicine, Jilin University, Changchun, Jilin Province 130021 (China)

2013-01-15

NaYF{sub 4}:Yb{sup 3+},Er{sup 3+}@Ag core-shell nanocomposites were prepared. Due to the outer shell of Ag, some modifications were found on the upconversion (UC) processes of NaYF{sub 4}:Yb{sup 3+},Er{sup 3+} core nanoparticles (NPs) caused by the co-interaction of surface effect, surface plasma absorption effect and local thermal effect under infrared radiation. Upon 980 nm excitation, the relative UC intensity of the green ({sup 2}H{sub 11/2}, {sup 4}S{sub 3/2}-{sup 4}I{sub 15/2}) to red ({sup 4}F{sub 9/2}-{sup 4}I{sub 15/2}) and the slope of power-dependence increased intensively, and three-photon population process for the green level appeared. -- Highlights: Black-Right-Pointing-Pointer NaYF{sub 4}:Yb{sup 3+},Er{sup 3+}@Ag core/shell nanocomposites were fabricated. Black-Right-Pointing-Pointer The coating of Ag outer shell leads to the increase of the green UCL. Black-Right-Pointing-Pointer Three-photon population process for the green level appeared after Ag coating.

New hydrogen titanium phosphate sulfate electrodes for Li-ion and Na-ion batteries

Science.gov (United States)

Zhao, Ran; Mieritz, Daniel; Seo, Dong-Kyun; Chan, Candace K.

2017-03-01

NASICON-type materials with general formula AxM2(PO4)3 (A = Li or Na, M = Ti, V, and Fe) are promising candidates for Li- and Na-ion batteries due to their open three-dimensional framework structure. Here we report the electrochemical properties of hydrogen titanium phosphate sulfate, H0.4Ti2(PO4)2.4(SO4)0.6 (HTPS), a new mixed polyanion material with NASICON structure. Micron-sized HTPS aggregates with crystallite grain size of ca. 23 nm are synthesized using a sol-gel synthesis in an acidic medium. The properties of the as-synthesized HTPS, ball-milled HTPS, and samples prepared as carbon composites using an in-situ glucose decomposition reaction are investigated. A capacity of 148 mAh g-1 corresponding to insertion of 2 Li+ per formula unit is observed in the ball-milled HTPS over the potential window of 1.5-3.4 V vs. Li/Li+. Lithiation at ca. 2.8 and 2.5 V is determined to occur through filling of the M1 and M2 sites, respectively. Powder X-ray diffraction (PXRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) are used characterize the HTPS before and after cycling. Evaluation of the HTPS in a Na-ion cell is also performed. A discharge capacity of 93 mAh g-1 with sodiation at ca. 2.9 and 2.2 V vs. Na/Na+ is observed.

Luminescent properties of UV excitable blue emitting phosphors MSr4(BO3)3:Ce3+ (M = Li and Na)

International Nuclear Information System (INIS)

Guo Chongfeng; Ding Xu; Seo, Hyo Jin; Ren Zhaoyu; Bai Jintao

2011-01-01

Research highlights: → Novel blue emitting phosphors borate MSr 4 (BO 3 ) 3 (M = Li or Na) were prepared first. → Luminescent properties of phosphors borate MSr 4 (BO 3 ) 3 (M = Li or Na) were investigated extensively as candidates of blue emitting phosphor used for UV excited LED. → The optimal concentrations of dopant Ce 3+ ions in compound MSr 4 (BO 3 ) 3 (M = Li or Na) were determined as 0.05 for Li and x = 0.09 for Na excited by UV light respectively. - Abstract: A series of Ce 3+ doped novel borate phosphors MSr 4 (BO 3 ) 3 (M = Li or Na) were successfully synthesized by traditional solid-state reaction. The crystal structures and the phase purities of samples were characterized by powder X-ray diffraction. The optimal concentrations of dopant Ce 3+ ions in compound MSr 4 (BO 3 ) 3 (M = Li or Na) were determined through the measurements of photoluminescence spectra of phosphors. Ce 3+ doped phosphors MSr 4 (BO 3 ) 3 (M = Li or Na) show strong broad band absorption in UV spectral region and bright blue emission under the excitation of 345 nm light. In addition, the temperature dependences of emission spectra of M 1+x Sr 4-2x Ce x (BO 3 ) 3 (M = Li or Na) phosphors with optimal composition x = 0.05 for Li and x = 0.09 for Na excited under 355 nm pulse laser were also investigated. The experimental results indicate that the M 1+x Sr 4-2x Ce x (BO 3 ) 3 (M = Li or Na) phosphors are promising blue emitting phosphors pumped by UV light.

Synchrotron-Radiation X-Ray Investigation of Li+/Na+ Intercalation into Prussian Blue Analogues

Directory of Open Access Journals (Sweden)

Yutaka Moritomo

2013-01-01

Full Text Available Prussian blue analogies (PBAs are promising cathode materials for lithium ion (LIB and sodium ion (SIB secondary batteries, reflecting their covalent and nanoporous host structure. With use of synchrotron-radiation (SR X-ray source, we investigated the structural and electronic responses of the host framework of PBAs against Li+ and Na+ intercalation by means of the X-ray powder diffraction (XRD and X-ray absorption spectroscopy (XAS. The structural investigation reveals a robust nature of the host framework against Li+ and Na+ intercalation, which is advantageous for the stability and lifetime of the batteries. The spectroscopic investigation identifies the redox processes in respective plateaus in the discharge curves. We further compare these characteristics with those of the conventional cathode materials, such as, LiCoO2, LiFePO4, and LiMn2O4.

Quantitative spectrographic analysis of Li, Na and Ca in uranium base materials, using the carrier distillation technique

International Nuclear Information System (INIS)

Gomes, R.P.; Brito, J. de.

1978-01-01

A spectrographic method for the quantitative determination of Ca, Li and Na in uranium base materials is described. The carrier destillation technique is used and a study is made for the selection of best carrier compounds. In U 3 O 8 matrix, the best results are obtained with 4% In 2 O 3 for the determination of Na and a 15% mixed carrier (3 NaCl + 1 Y 2 O 3 ) for the determination of Ca and Li. The minium determination limit for Ca and Li is 1 ppm while for Na it is 15 ppm. The precision of the method is calculated and the relative standard deviation is found to be 11, 16 and 6,5% for Ca, Li and Na respectively [pt

Excitation of Li and Na atoms in collisions with He and Ne

International Nuclear Information System (INIS)

Olsen, J.Oe.; Andersen, T.; Andersen, N.

1977-01-01

Total emission cross sections and polarizations have been measured for the 2 2 S - 2 2 P, 2 2 P - 3 2 D and 2 2 P - 3 2 S LiI multiplets in Li - He,Ne collisions, and the 3 2 S - 3 2 P and 3 2 P - 3 2 D NaI multiplets in Na - He,Ne collisions in the 0.6 - 60 keV energy range. The excitation of the alkali resonance multiplet is found to be the dominant inelastic process for all four collision systems. The behaviour is very similar to the previously investigated Be + - He,Ne and Mg + - He,Ne systems. The results are compared with recent calculations by Manique et al based on a quasi-one electron description using various model potentials. Good agreement is found for Li - He with a simple Hartree-Fock frozen-core potential. The agreement is fair for Li,Na - He calculations with a Baylis type potential but poor for calculations based on Bottcher model potentials. For Ne as target all three potentials by far overestimate the size of the cross section. (Auth.)

A first-principles study of hydrogen storage capacity based on Li-Na-decorated silicene.

Science.gov (United States)

Sheng, Zhe; Wu, Shujing; Dai, Xianying; Zhao, Tianlong; Hao, Yue

2018-05-23

Surface decoration with alkali metal adatoms has been predicted to be promising for silicene to obtain high hydrogen storage capacity. Herein, we performed a detailed study of the hydrogen storage properties of Li and Na co-decorated silicene (Li-Na-decorated silicene) based on first-principles calculations using van der Waals correction. The hydrogen adsorption behaviors, including the adsorption order, the maximum capacity, and the corresponding mechanism were analyzed in detail. Our calculations show that up to three hydrogen molecules can firmly bind to each Li atom and six for each Na atom, respectively. The hydrogen storage capacity is estimated to be as high as 6.65 wt% with a desirable average adsorption energy of 0.29 eV/H2. It is confirmed that both the charge-induced electrostatic interaction and the orbital hybridizations play a great role in hydrogen storage. Our results may enhance our fundamental understanding of the hydrogen storage mechanism, which is of great importance for the practical application of Li-Na-decorated silicene in hydrogen storage.

Effect of divalent impurities on some physical properties of LiF and NaF; Influence des impuretes divalentes sur quelques proprietes physiques du LiF et du NaF

Energy Technology Data Exchange (ETDEWEB)

Laj, C [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-05-01

The ionic thermo-currents technique is applied to the study of impurity vacancy dipoles in LiF and NaF doped with several divalent cations. In LiF only one ITC band is observed whatever the impurity studied. In NaF on the contrary two ITC bands are present, one corresponding to the one observed in LiF, the other one, intense in the case of small impurities, at lower temperature. A parallel EPR study in the case of Mn{sup 2+} doped samples shows that the band observed in LiF and the corresponding one in NaF are due to the relaxation of dipoles formed by the association of an impurity and a vacancy in the next nearest position. The knowledge of the properties of the dipoles allows to show that the room temperature ionic conductivity of LiF is conditioned by the equilibrium: M{sup ++} {open_square}+ {yields} M{sup ++} + {open_square}+. It is also shown that the isolated cation vacancy originating from this dissociation is responsible for the enhancement of {gamma}-ray coloration of LiF doped with divalent cation impurities. A paramagnetic center ascribed to the presence of Mn{sup 0} isolated in the lattice is also studied. The value of the hyperfine interaction and its temperature dependence are in good agreement with both the theory and the other experimental results. Finally it is shown that the disappearance of dipoles by annealing is related to the formation of complexes involving OH{sup -} ions, probably of the M(OH){sub 2} type, with the two OH{sup -} ions occupying a single fluorine site. (author) [French] La technique des thermocourants ioniques est appliquee a l'etude des dipoles lacune-impurete dans LiF et NaF dopes avec plusieurs cations divalents. Dans LiF on met en evidence un seul pic de thermocourant quelle que soit l'impurete consideree. Dans NaF au contraire deux pics de thermocourants sont presents, l'un correspondant a celui observe dans LiF, l'autre, dominant dans le cas des impuretes de petite taille, a plus basse temperature. Une etude parallelle

Effect of divalent impurities on some physical properties of LiF and NaF; Influence des impuretes divalentes sur quelques proprietes physiques du LiF et du NaF

Energy Technology Data Exchange (ETDEWEB)

Laj, C. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-05-01

The ionic thermo-currents technique is applied to the study of impurity vacancy dipoles in LiF and NaF doped with several divalent cations. In LiF only one ITC band is observed whatever the impurity studied. In NaF on the contrary two ITC bands are present, one corresponding to the one observed in LiF, the other one, intense in the case of small impurities, at lower temperature. A parallel EPR study in the case of Mn{sup 2+} doped samples shows that the band observed in LiF and the corresponding one in NaF are due to the relaxation of dipoles formed by the association of an impurity and a vacancy in the next nearest position. The knowledge of the properties of the dipoles allows to show that the room temperature ionic conductivity of LiF is conditioned by the equilibrium: M{sup ++} {open_square}+ {yields} M{sup ++} + {open_square}+. It is also shown that the isolated cation vacancy originating from this dissociation is responsible for the enhancement of {gamma}-ray coloration of LiF doped with divalent cation impurities. A paramagnetic center ascribed to the presence of Mn{sup 0} isolated in the lattice is also studied. The value of the hyperfine interaction and its temperature dependence are in good agreement with both the theory and the other experimental results. Finally it is shown that the disappearance of dipoles by annealing is related to the formation of complexes involving OH{sup -} ions, probably of the M(OH){sub 2} type, with the two OH{sup -} ions occupying a single fluorine site. (author) [French] La technique des thermocourants ioniques est appliquee a l'etude des dipoles lacune-impurete dans LiF et NaF dopes avec plusieurs cations divalents. Dans LiF on met en evidence un seul pic de thermocourant quelle que soit l'impurete consideree. Dans NaF au contraire deux pics de thermocourants sont presents, l'un correspondant a celui observe dans LiF, l'autre, dominant dans le cas des impuretes de petite taille, a plus basse temperature

The compressibility mechanism of Li3Na3In2F12 garnet

DEFF Research Database (Denmark)

Grzechnik, Andrzej; Balic Zunic, Tonci; Makovicky, Emil

2006-01-01

The high pressure behaviour of Li3Na3In2F12 garnet (Ia¯3d, Z = 8) is studied up to 9.2 GPa at room temperature in diamond anvil cells using xray diffraction. Its equation of state to 9.2 GPa and the pressure dependences of the structural parameters to 4.07 GPa are determined from synchrotron angle......-dispersive powder and laboratory single-crystal data, respectively. No indication of any structural phase transition in this material has been found up to 9.2 GPa. The fitting of the Murnaghan equation of state yields B0 = 36.2(5) GPa, B0 = 5.38(18), and V0 = 2051.76(0.69) °A 3. The compressibility mechanism of Li3......Na3In2F12 is attributed to the substantial bending of the In-F-Li angles linking the InF6 octahedra and LiF4 tetrahedra. The most compressible polyhedral units are the NaF8 triangulated dodecahedra. These results are discussed in relation to previous high pressure photoluminescence measurements...

Synthesis, crystal structure and electrochemical properties of the manganese-doped LiNaFe[PO{sub 4}]F materials

Energy Technology Data Exchange (ETDEWEB)

Ben Yahia, Hamdi, E-mail: benyahia.hamdi@aist.go.jp; Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp; Sakaebe, Hikari; Kobayashi, Hironori

2013-08-15

The new compounds LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F (x ≤ 1/4) were synthesized by a solid state reaction route. The crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F was determined from single crystal X-ray diffraction data. LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F crystallizes with the Li{sub 2}Ni[PO{sub 4}]F-type structure, space group Pnma, a = 10.9719(13), b = 6.3528(7), c = 11.4532(13) Å, V = 798.31(16) Å{sup 3}, and Z = 8. The structure consists of edge-sharing (Fe{sub 3/4}Mn{sub 1/4})O{sub 4}F{sub 2} octahedra forming (Fe{sub 3/4}Mn{sub 1/4})FO{sub 3} chains running along the b-axis. These chains are interlinked by PO{sub 4} tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The manganese-doped phases show poor electrochemical behavior comparing to the iron pure phase LiNaFe[PO{sub 4}]F. - Highlights: • We investigated the synthesis of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F by solid state reaction. • We demonstrated that a solid solution exist only for x ≤ 1/4. • We solved the crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F using single crystal data. • We studied the electrochemical performances of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F. • The Mn-doped phases have poor electrochemical performances comparing to LiNaFe[PO{sub 4}]F.

Velocity of sound in, and adiabatic compressibility of, Molten LiF-NaF, LiF-KF, NaF-KF mixtures

International Nuclear Information System (INIS)

Minchenko, V.I.; Konovalov, Y.V.; Smirnov, M.V.

1986-01-01

The authors measured the velocity of sound as a function of temperature at 1.5 zHM frequency in LiF-NaF, NaF-KF, LiF-KF melts over the entire range of their compositions. The measurements were made by comparison of the phases of a reference pulse signal and a signal reflected from the bottom of the crucible. The specified temperatures were maintained constant within plus or minus 1 degree. The sound conductor consisted of a cylindrical rod of sintered beryllium oxide, which does not interact with test melts. The study shows that the velocity of sound decreases linearly with increase of the temperature. The values of the constants of the empirical equations are presented in a table, with indication of the temperature range. The dependence of the velocity of sound on composition of the melts is shown, where isotherms for 1250 K are given as an example. Variation of the composition by 1-2 mole % leads to increase or decrease of the velocity of sound by 5-10 m

The different Li/Na ion storage mechanisms of nano Sb2O3 anchored on graphene

Science.gov (United States)

Li, Hai; Qian, Kun; Qin, Xianying; Liu, Dongqing; Shi, Ruiying; Ran, Aihua; Han, Cuiping; He, Yan-Bing; Kang, Feiyu; Li, Baohua

2018-05-01

The antimony oxide/reduced graphene oxide (Sb2O3/rGO) nanocomposites are used as anode of Li-ion and Na-ion batteries (LIBs and NIBs). However, it is unclear about Li-ion and Na-ion storage mechanism in Sb2O3/rGO nanocomposites. Herein, the conversion-alloying mechanisms of Sb2O3/rGO anodes for Na-ion and Li-ion storage are comparatively studied with a combined in-situ XRD and quasi in-situ XPS method. The distinct behaviours are monitored during (de)lithiation and (de)sodiation with respect to crystal structure and chemical composition evolution. It is evidenced that the Na-ion can be easily transported to the inner part of the Sb2O3, where the Li-ion almost cannot reach, leading to a fully transformation during sodiation. In addition, the conversion reaction product of amorphous Na2O display their better chemical stability than amorphous Li2O during electrochemical cycles, which contribute to a stable and long cycling life of NIBs. This work gain insight into the high-capacity anodes with conversation-alloying mechanism for NIBs.

Destabilized LiBH4-NaAlH4 Mixtures Doped with Titanium Based Catalysts

DEFF Research Database (Denmark)

Shi, Qing; Yu, Xuebin; Feidenhans'l, Robert

2008-01-01

We investigate the hydrogen storage properties of the mixed complex hydride LiBH4-NaAlH4 system, both undoped and doped with a TiCl3 additive. The mixed system is found to initiate a transformation to LiBH4-NaAlH4 after ball-milling, and the doped system is found to have a significant lower hydro...

Optimization of {sup 6}LiF:ZnS(Ag) Scintillator Light Yield Using Geant4

Energy Technology Data Exchange (ETDEWEB)

Yehuda-Zada, Y. [Nuclear Research Center Negev, Beer-Sheva (Israel); Ben-Gurion University (Israel); Pritchard, K.; Ziegler, J.B.; Cooksey, C.; Siebein, K. [National Institute of Standards and Technology, Gaithersburg, Maryland (United States); Jackson, M.; Hurlbut, C. [Eljen Technology, Sweetwater Texas (United States); Kadmon, Y.; Cohen, Y.; Maliszewskyj, N.C. [Nuclear Research Center Negev, Beer-Sheva (Israel); Ibberson, R.M.; Majkrzak, C.F. [National Institute of Standards and Technology, Gaithersburg, Maryland (United States); Orion, Y. [Ben-Gurion University (Israel); Osovizky, A. [National Institute of Standards and Technology, Gaithersburg, Maryland (United States); Rotem Industries Ltd, Rotem Industrial Park (Israel); University of Maryland (United States)

2015-07-01

Neutrons provide an effective tool to probe materials structure. Neutron diffraction is a method to determine the atomic and magnetic structure of a material based on neutron scattering. By this method a collimated incident beam of thermal neutrons heat the examined sample and based on the obtained diffraction pattern information on the structure of the material is provided. Research for developing a novel cold neutron detector for Chromatic Analysis Neutron Diffractometer Or Reflectometer (CANDOR) is underway at the NIST center for neutron research. The system unique design is aimed to provide over ten times fold faster analysis of materials than conventional system. In order to achieve the fast analysis a large number of neutron detectors is required. A key design constraint for this detector is the thickness of the neutron sensitive element. This is met using {sup 6}LiF:ZnS(Ag) scintillation material with embedded wavelength shifting (WLS) fibers conducting scintillation light to silicon photomultiplier photo-sensors. The detector sensitivity is determined by both the neutron capture probability ({sup 6}Li density) and the detectable light output produced by the ZnS(Ag) ionization, the latter of which is hindered by the fluorescence absorption of the scintillation light by the ZnS. Tradeoffs between the neutron capture probability, stimulated light production and light attenuation for determining the optimal stoichiometry of the {sup 6}LiF and ZnS(Ag) as well as the volume ratio of scintillator and fiber. Simulations performed using the GEANT4 Monte Carlo package were made in order to optimize the detector design. GEANT4 enables the investigation of the neutron interaction with the detector, the ionization process and the light transfer process following the nuclear process. The series of conversions required for this detector were modelled: - A cold neutron enters the sensor and is captured by {sup 6}Li in the scintillator mixture ({sup 6}Li (n,α) {sup 3}H

Synthesis of Hydroxysodalite From Paper Sludge Ash Using NaOH-LiOH Mixtures

Directory of Open Access Journals (Sweden)

Takaaki Wajima

2017-06-01

Full Text Available Hydroxysodalite zeolite was synthesized at 90 oC from paper sludge ash, which is industrial wastes in paper manufacturing, using NaOH-LiOH mixed solution. Paper sludge ash was discharged from paper making plant as industrial wastes, and the amount is increasing annually. The new utilization of paper sludge ash is desired. Hydroxysodalite can be used to remove HCl gas at high temperature, and there are papers for hydroxysodalite synthesis from various ashes, for example, coal fly ash. In my previous study, hydroxysodalite can be synthesized from paper sludge ash. However, little information can be available on the synthesis of hydroxysodalite from paper sludge ash. Therefore, we attempted to examine the synthesis of hydroxysodalite from paper sludge ash using NaOH-LiOH mixtures. Hydroxysodalite [Na6Al6Si6O24‧8H2O] was obtained in the mixed solution with Li / (Li + Na ratios smaller than 0.25, while katoite [Ca3Al2(SiO4(OH8] was formed in the mixed solutions with the other molar ratios, due to the dissolution of gehlenite [Ca2Al2SiO7]. The observed concentrations of Si and Al in the solution during the reaction explain the synthesis of reaction products, which depends on alkali species.

In Situ Tracking Kinetic Pathways of Li+/Na+ Substitution during Ion-Exchange Synthesis of LixNa1.5-xVOPO4F0.5.

Science.gov (United States)

Park, Young-Uk; Bai, Jianming; Wang, Liping; Yoon, Gabin; Zhang, Wei; Kim, Hyungsub; Lee, Seongsu; Kim, Sung-Wook; Looney, J Patrick; Kang, Kisuk; Wang, Feng

2017-09-13

Ion exchange is a ubiquitous phenomenon central to wide industrial applications, ranging from traditional (bio)chemical separation to the emerging chimie douce synthesis of materials with metastable structure for batteries and other energy applications. The exchange process is complex, involving substitution and transport of different ions under non-equilibrium conditions, and thus difficult to probe, leaving a gap in mechanistic understanding of kinetic exchange pathways toward final products. Herein, we report in situ tracking kinetic pathways of Li + /Na + substitution during solvothermal ion-exchange synthesis of Li x Na 1.5-x VOPO 4 F 0.5 (0 ≤ x ≤ 1.5), a promising multi-Li polyanionic cathode for batteries. The real-time observation, corroborated by first-principles calculations, reveals a selective replacement of Na + by Li + , leading to peculiar Na + /Li + /vacancy orderings in the intermediates. Contradicting the traditional belief of facile topotactic substitution via solid solution reaction, an abrupt two-phase transformation occurs and predominantly governs the kinetics of ion exchange and transport in the 1D polyanionic framework, consequently leading to significant difference of Li stoichiometry and electrochemical properties in the exchanged products. The findings may help to pave the way for rational design of ion exchange synthesis for making new materials.

Removal of SO42− from Li2CO3 by Recrystallization in Na2CO3 Solution

Directory of Open Access Journals (Sweden)

Wei Cai

2018-01-01

Full Text Available Li2CO3 with high purity is an important raw material for the fabrication of lithium rechargeable batteries. This paper reports a facile recrystallization way to produce Li2CO3 with high purity from commercial Li2CO3 containing 0.8 wt % of SO42− by the treatment of the commercial Li2CO3 in Na2CO3 solution. The increase of temperature from 30 °C to 90 °C favored the recrystallization of Li2CO3 in Na2CO3 solution and promoted the removal of SO42− adsorbed or doped on/in the commercial Li2CO3. The content of SO42− in Li2CO3 decreased to 0.08 wt % after the treatment of the commercial Li2CO3 in 1.0 mol·L−1 Na2CO3 solution at 90 °C for 10.0 h.

Conductivity and Structure of Superionic Composite (AgI0.6(NaPO30.4

Directory of Open Access Journals (Sweden)

E. Kartini

2005-01-01

Full Text Available Superionic conductors are of considerable interest from both application and fundamental points of view. Superionic solid electrolytes can be used for batteries, fuel cells and sensors. We have used melt quenching to make a new superionic composite (AgI0.6(NaPO30.4 which exhibits an ionic conductivity of about 2 x 10-4 S/cm at ambient temperature. The conductivity of crystalline AgI and NaPO3 glass are lower of orders of magnitude. (AgI0.6(NaPO30.4 is a composite material containing both crystalline and glass phases. The paper presents the conductivity as a function of temperature measured by impedance spectroscopy and the crystal structure performed by a high resolution powder diffractometer, VEGA at the Neutron Science Laboratory (KENS, KEK, Japan.

E.S.R. investigations of γ-irradiated AgNa-Y zeolites

International Nuclear Information System (INIS)

Abou-Kais, A.; Vedrine, J.C.; Naccache, C.

1978-01-01

Five different types of paramagnetic species related to silver nuclei were detected for γ-ray irradiated type Y zeolite in which Na + ions were exchanged by Ag + ions to different extents. One first species was identified as silver atoms almost freely diffusing in water contained in the zeolite cages. The second one corresponded to silver atoms interacting with lattice oxygens yet easily displaced to aluminium sites by slight warming. The unpaired spin delocalization to lattice nuclei was then rather significant at 36.3 and 21.2% respectively. The third species was assigned to Ag 2+ ions of d 9 character whose e.s.r. parameters reversibly depended on dehydration extent, confirming the dynamic properties of ions within zeolite material. The fourth species was attributed to AgH + arising from the action of liberated H atoms on Ag + . Finally, V- and F-type centres were observed, but could not be clearly identified. However, their parameters and their presence, compared to the case of non exchanged Na-Y zeolite sample, show that the electronic properties of framework nuclei are greatly perturbed by silver ions. For hydrated samples OH. radicals were also detected. (author)

Evaluation of the microstructure of Al-Cu-Li-Ag-Mg Weldalite (tm) alloys, part 4

Science.gov (United States)

Pickens, Joseph R.; Kumar, K. S.; Brown, S. A.; Gayle, Frank W.

1991-01-01

Weldalite (trademark) 049 is an Al-Cu-Li-Ag-Mg alloy designed to have ultrahigh strength and to serve in aerospace applications. The alloy displays significantly higher strength than competitive alloys in both naturally aged and artificially aged tempers. The strengthening phases in such tempers have been identified to, in part, explain the mechanical properties attained. In general, the alloy is strengthened by delta prime Al3Li and Guinier-Preston (GP) zones in the naturally aged tempers. In artificially aged tempers in slightly underaged conditions, strengthening is provided by several phases including GP zones, theta prime Al2Cu, S prime Al2CuMg, T(sub 1) Al2CuLi, and possibly a new phase. In the peak strength artificially aged tempers, T(sub 1) is the predominant strengthening phase.

Development and operation of a 6LiF:ZnS(Ag)-scintillating plastic capture-gated detector

Science.gov (United States)

Wilhelm, K.; Nattress, J.; Jovanovic, I.

2017-01-01

We report on the design, construction, and operation of a capture-gated neutron detector based on a heterogeneous scintillating structure comprising two scintillator types. A flat, 500 μm thick sheet composed of a mixture of lithium-6-fluoride capture agent, 6LiF, and zinc sulfide phosphor, ZnS(Ag), is wrapped around scintillating polyvinyl toluene (PVT) in a form of cylinder. The 6LiF: ZnS(Ag) sheet uses an aluminum foil backing as a support for the scintillating material and as an optical reflector, and its optical properties have been characterized independently. The composite scintillator was tested using 252Cf, DD fusion, 137Cs, and 60Co sources. The intrinsic detection efficiency for neutrons from an unmoderated 252Cf source and rejection of gammas from 137Cs were measured to be 3.6 % and 10-6, respectively. A figure of merit for pulse shape discrimination of 4.6 was achieved, and capture-gated spectroscopic analysis is demonstrated.

Loss-of-function and gain-of-function phenotypes of stomatocytosis mutant RhAG F65S

Science.gov (United States)

Stewart, Andrew K.; Shmukler, Boris E.; Vandorpe, David H.; Rivera, Alicia; Heneghan, John F.; Li, Xiaojin; Hsu, Ann; Karpatkin, Margaret; O'Neill, Allison F.; Bauer, Daniel E.; Heeney, Matthew M.; John, Kathryn; Kuypers, Frans A.; Gallagher, Patrick G.; Lux, Samuel E.; Brugnara, Carlo; Westhoff, Connie M.

2011-01-01

Four patients with overhydrated cation leak stomatocytosis (OHSt) exhibited the heterozygous RhAG missense mutation F65S. OHSt erythrocytes were osmotically fragile, with elevated Na and decreased K contents and increased cation channel-like activity. Xenopus oocytes expressing wild-type RhAG and RhAG F65S exhibited increased ouabain and bumetanide-resistant uptake of Li+ and 86Rb+, with secondarily increased 86Rb+ influx sensitive to ouabain and to bumetanide. Increased RhAG-associated 14C-methylammonium (MA) influx was severely reduced in RhAG F65S-expressing oocytes. RhAG-associated influxes of Li+, 86Rb+, and 14C-MA were pharmacologically distinct, and Li+ uptakes associated with RhAG and RhAG F65S were differentially inhibited by NH4+ and Gd3+. RhAG-expressing oocytes were acidified and depolarized by 5 mM bath NH3/NH4+, but alkalinized and depolarized by subsequent bath exposure to 5 mM methylammonium chloride (MA/MA+). RhAG F65S-expressing oocytes exhibited near-wild-type responses to NH4Cl, but MA/MA+ elicited attenuated alkalinization and strong hyperpolarization. Expression of RhAG or RhAG F65S increased steady-state cation currents unaltered by bath Li+ substitution or bath addition of 5 mM NH4Cl or MA/MA+. These oocyte studies suggest that 1) RhAG expression increases oocyte transport of NH3/NH4+ and MA/MA+; 2) RhAG F65S exhibits gain-of-function phenotypes of increased cation conductance/permeability, and loss-of-function phenotypes of decreased and modified MA/MA+ transport, and decreased NH3/NH4+-associated depolarization; and 3) RhAG transports NH3/NH4+ and MA/MA+ by distinct mechanisms, and/or the substrates elicit distinct cellular responses. Thus, RhAG F65S is a loss-of-function mutation for amine transport. The altered oocyte intracellular pH, membrane potential, and currents associated with RhAG or RhAG F65S expression may reflect distinct transport mechanisms. PMID:21849667

Photoionization of Li and Na in Debye plasma environments

International Nuclear Information System (INIS)

Sahoo, Satyabrata; Ho, Y.K.

2006-01-01

A calculation of the photoionization cross sections is presented for alkali-metal atoms such as Li and Na in plasma environments. The computational scheme is based on the complex coordinate rotation method. A model potential formalism has been used to simplify the computational complexity of the problems of making quantitative predictions of properties and interactions of many electron systems in Debye plasmas. The plasma environment is found to appreciably influence the photoionization cross sections. In this regard the photoionization cross sections of isolated atoms are also discussed that is found to be in good agreement with the previous theoretical results. It is observed that the strong plasma screening effect remarkably alters the photoionization cross sections near the ionization threshold. The Cooper minimum in the photoionization cross sections of Na shifts toward the higher energy as the plasma screening effect increases. For Li, the Cooper minimum is uncovered in strong plasma environments. This is the first time such structures have been determined

UV-VIS absorption spectra of molten AgCl and AgBr and of their mixtures with group I and II halide salts

Energy Technology Data Exchange (ETDEWEB)

Greening, Giorgio G.W. [Technische Universitaet Darmstadt (Germany). Eduard-Zintl-Institut fuer Anorganische und Physikalische Chemie

2015-07-01

The UV-VIS absorption spectra of (Ag{sub 1-X}[Li-Cs, Ba]{sub X})Cl and of (Ag{sub 1-X}[Na, K, Cs]{sub X})Br at 823 K at the concentrations X=0.0, 0.1, 0.2 have been measured. The findings show that on adding the respective halides to molten silver chloride and silver bromide, shifts of the fundamental absorption edge to shorter wavelengths result. A correlation between the observed shifts and the expansion of the silver sub-lattice is found, which is valid for both silver halide systems studied in this work.

Effect of annealing temperature and dopant concentration on the thermoluminescence sensitivity in LiF:Mg,Cu,Ag material.

Science.gov (United States)

Yahyaabadi, Akram; Torkzadeh, Falamarz; Rezaei Ochbelagh, Dariush; Hosseini Pooya, Seyed Mahdi

2018-04-24

LiF:Mg,Cu,Ag is a new dosimetry material that is similar to LiF:Mg,Cu,P in terms of dosimetric properties. The effect of the annealing temperature in the range of 200 to 350°C on the thermoluminescence (TL) sensitivity and the glow curve structure of this material at different concentrations of silver (Ag) was investigated. It has been demonstrated that the optimum values of the annealing temperature and the Ag concentration are 240°C and 0.1 mol% for better sensitivity, respectively. The TL intensity decreases at annealing temperatures lower than 240°C or higher than 240°C, reaching a minimum at 300°C and then again increases for various Ag concentrations. It was observed that the glow curve structure altered and the area under the low temperature peak as well as the area under the main dosimetric peak decreased with increasing annealing temperature. The position of the main dosimetric peak moved in the direction of higher temperatures, but at 320 and 350°C annealing temperatures, it shifted to lower temperatures. It was also observed that the TL sensitivity could partially be recovered by a combined annealing procedure. Copyright © 2018 John Wiley & Sons, Ltd.

Comparison of electrochemical performances of olivine NaFePO4 in sodium-ion batteries and olivine LiFePO4 in lithium-ion batteries.

Science.gov (United States)

Zhu, Yujie; Xu, Yunhua; Liu, Yihang; Luo, Chao; Wang, Chunsheng

2013-01-21

Carbon-coated olivine NaFePO(4) (C-NaFePO(4)) spherical particles with a uniform diameter of ∼80 nm are obtained by chemical delithiation and subsequent electrochemical sodiation of carbon-coated olivine LiFePO(4) (C-LiFePO(4)), which is synthesized by a solvothermal method. The C-NaFePO(4) electrodes are identical (particle size, particle size distribution, surface coating, and active material loading, etc.) to C-LiFePO(4) except that Li ions in C-LiFePO(4) are replaced by Na ions, making them ideal for comparison of thermodynamics and kinetics between C-NaFePO(4) cathode in sodium-ion (Na-ion) batteries and C-LiFePO(4) in lithium-ion (Li-ion) batteries. In this paper, the equilibrium potentials, reaction resistances, and diffusion coefficient of Na in C-NaFePO(4) are systematically investigated by using the galvanostatic intermittent titration technique (GITT), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV), and compared to those of the well-known LiFePO(4) cathodes in Li-ion batteries. Due to the lower diffusion coefficient of Na-ion and higher contact and charge transfer resistances in NaFePO(4) cathodes, the rate performance of C-NaFePO(4) in Na-ion batteries is much worse than that of C-LiFePO(4) in Li-ion batteries. However, the cycling stability of C-NaFePO(4) is almost comparable to C-LiFePO(4) by retaining 90% of its capacity even after 100 charge-discharge cycles at a charge-discharge rate of 0.1 C.

Endurance testing with Li/Na electrolyte

Energy Technology Data Exchange (ETDEWEB)

Ong, E.T.; Remick, R.J.; Sishtla, C.I. [Institute of Gas Technology, Des Plaines, IL (United States)

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.

Microstructural Analysis of the Effects of Thermal Runaway on Li-Ion and Na-Ion Battery Electrodes

Energy Technology Data Exchange (ETDEWEB)

Finegan, Donal [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Robinson, James B. [University College London; Heenan, Thomas M. M. [University College London; Smith, Katherine [Sharp Laboratories of Europe; Kendrick, Emma [Sharp Laboratories of Europe; University College London; Brett, Daniel J. L. [University College London; Shearing, Paul R. [University College London

2017-12-06

Thermal runaway is a phenomenon that occurs due to self-sustaining reactions within batteries at elevated temperatures resulting in catastrophic failure. Here, the thermal runaway process is studied for a Li-ion and Na-ion pouch cells of similar energy density (10.5 Wh, 12 Wh, respectively) using accelerating rate calorimetry (ARC). Both cells were constructed with a z-fold configuration, with a standard shutdown separator in the Li-ion and a low-cost polypropylene (PP) separator in the Na-ion. Even with the shutdown separator, it is shown that the self-heating rate and rate of thermal runaway in Na-ion cells is significantly slower than that observed in Li-ion systems. The thermal runaway event initiates at a higher temperature in Na-ion cells. The effect of thermal runaway on the architecture of the cells is examined using X-ray microcomputed tomography, and scanning electron microscopy (SEM) is used to examine the failed electrodes of both cells. Finally, from examination of the respective electrodes, likely due to the carbonate solvent containing electrolyte, it is suggested that thermal runaway in Na-ion batteries (NIBs) occurs via a similar mechanism to that reported for Li-ion cells.

Thermal expansion and temperature variation of elastic constants of Li(H,D) and Na(H,D) systems

International Nuclear Information System (INIS)

Islam, A.K.M.A.; Hoque, M.T.

1994-11-01

An analysis of thermal expansion of Li(H,D) systems up to melting temperature has been performed using the theory of anharmonic lattice. The study has for the first time been extended to Na(H,D) systems where very little or no data are available. The calculated lattice constants of Li(H,D) systems show quite good agreement with experiment. The success of the present calculation with Li(H,D) and room temperature lattice constant data for Na(H,D) given an indication of the reliability of the computed lattice constants and thermal expansion coefficients for Na(H,D) systems. The study also allows us to predict the hitherto unknown lattice constants of Na(H,D) crystal at 0K. The temperature dependence of elastic constants for Li(H,D) systems has also been evaluated. Comparison with measurements shows the reliability of the present calculations. (author). 45 refs, 4 figs

Electron transfer in keV Li+-Na*(3p) collisions: Pt.2. Molecular basis model

International Nuclear Information System (INIS)

Machholm, M.; Courbin, C.

1996-01-01

The velocity dependence of state-to-state integral cross sections for electron transfer and excitation in Li + -Na(3s, 3p) collisions is studied in the 0.05-0.3 au velocity range using the impact parameter semi-classical method and a 28-state molecular orbital basis model including a common translation factor. The initial orbital alignment dependence of electron transfer is in fair agreement with recent experiments and with atomic orbital model calculations. The main electron transfer channel from Na*(3p) is to the Li*(2p) states. The integral cross sections from an aligned or oriented Na*(3p) state to an aligned or oriented Li*(2p) state and vice versa and the corresponding alignment and orientation parameters are presented as a function of the impact velocity. (author)

Synthesis and visible-light-driven photocatalytic activity of p–n heterojunction Ag_2O/NaTaO_3 nanocubes

International Nuclear Information System (INIS)

Yang, Songbo; Xu, Dongbo; Chen, Biyi; Luo, Bifu; Yan, Xu; Xiao, Lisong; Shi, Weidong

2016-01-01

Highlights: • We firstly report a facile way to prepare the visible-light-driven Ag_2O/NaTaO_3p–n heterojunction by chemical precipitation method. • The Ag_2O/NaTaO_3 heterojunction shows the highest photocatalytic activity than the pure NaTaO_3 and Ag_2O nanoparticles under visible light. • The enhancement of the heterojunction photocatalytic activity was discussed and the photocatalytic mechanism was tested in our paper. • In summary, we think that the Ag_2O/NaTaO_3 heterojunction with the strong visible light absorption and efficient photocatalytic activity have been extended application in photocatalysis for organic dyes pollutants degradation and purification of water. - Abstract: The constructing of p–n heterojunction photocatalytic system has received much attention in environmental purification and hydrogen generation from water. In this study, an efficient visible-light-driven p–n heterojunction Ag_2O/NaTaO_3 was successfully prepared by chemical precipitation method at room temperature. It showed an enhanced photocatalytic activity for the degradation of rhodamine B (RhB) under visible-light irradiation, much higher than those of either individual Ag_2O or NaTaO_3. The reactive species scavenger results indicated the superoxide anion radicals (·O"2"−) played key roles in RhB decoloration. From the experimental results and the relative band gap position of these semiconductors, a detailed possible photocatalytic mechanism of the Ag_2O/NaTaO_3 heterojunction under visible light was proposed. The enhancement of the photocatalytic activity was attributed to the interfacial electronic interaction between NaTaO_3 and Ag_2O and the high migration efficiency of photogenerated carriers.

Structural and impurity phase transitions of LiNaSO4:RE probed using cathodo-thermoluminescence

Science.gov (United States)

Maghrabi, M.; Finch, A. A.; Townsend, P. D.

2008-11-01

Spectrally resolved cathodo-thermoluminescence spectra of rare earth (RE) doped LiNaSO4 measured from 20 to 673 K reveal several anomalies in the RE emission lines and intensities. The low (20-300 K) temperature data show a discontinuous change in intensity at ~170 K that is either a marked intensity enhancement or a drop truncating the entire spectrum. Such an effect on the host luminescence has previously been assigned to a transition between cubic and hexagonal polymorphs of ice nanoparticle inclusions. Similar, but less profound anomalies are seen above room temperature (300-673 K) where the changes take the form of either a discontinuity in intensity at ~480 K or reduced intensity in the range 430-530 K. There are changes in the relative intensities of different emission lines of the same dopant in this temperature range. Such high temperature variations are ascribed to structural phase changes within the LiNaSO4 crystals. The behaviours may result from Li-poor surfaces or twin boundaries behaving like Na2SO4. This phase change is suggested in the open literature for LiNaSO4 but not yet fully documented, perhaps because the effects span a wide range of temperatures or due to experimental features inherent in most luminescence facilities.

Effect of divalent impurities on some physical properties of LiF and NaF

International Nuclear Information System (INIS)

Laj, C.

1969-05-01

The ionic thermo-currents technique is applied to the study of impurity vacancy dipoles in LiF and NaF doped with several divalent cations. In LiF only one ITC band is observed whatever the impurity studied. In NaF on the contrary two ITC bands are present, one corresponding to the one observed in LiF, the other one, intense in the case of small impurities, at lower temperature. A parallel EPR study in the case of Mn 2+ doped samples shows that the band observed in LiF and the corresponding one in NaF are due to the relaxation of dipoles formed by the association of an impurity and a vacancy in the next nearest position. The knowledge of the properties of the dipoles allows to show that the room temperature ionic conductivity of LiF is conditioned by the equilibrium: M ++ □+ → M ++ + □+. It is also shown that the isolated cation vacancy originating from this dissociation is responsible for the enhancement of γ-ray coloration of LiF doped with divalent cation impurities. A paramagnetic center ascribed to the presence of Mn 0 isolated in the lattice is also studied. The value of the hyperfine interaction and its temperature dependence are in good agreement with both the theory and the other experimental results. Finally it is shown that the disappearance of dipoles by annealing is related to the formation of complexes involving OH - ions, probably of the M(OH) 2 type, with the two OH - ions occupying a single fluorine site. (author) [fr

Synthesis, structure and electrochemical properties of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F fluoride-phosphate

Energy Technology Data Exchange (ETDEWEB)

Fedotov, Stanislav S. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Skoltech Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology, 143026 Moscow (Russian Federation); Kuzovchikov, Sergey M.; Khasanova, Nellie R.; Drozhzhin, Oleg A.; Filimonov, Dmitriy S. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Karakulina, Olesia M.; Hadermann, Joke [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Abakumov, Artem M. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Skoltech Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology, 143026 Moscow (Russian Federation); EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Antipov, Evgeny V. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation)

2016-10-15

LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by {sup 57}Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F cathode material demonstrated a reversible activity of the Fe{sup 3+}/Fe{sup 2+} redox couple at the electrode potential near 3.4 V and minor activity of the Co{sup 3+}/Co{sup 2+} redox couple over 5 V vs Li/Li{sup +}. The material exhibited the discharge capacity of more than 82% (theo.) regarding Fe{sup 3+}/Fe{sup 2+} in the 2.4÷4.6 V vs Li/Li{sup +} potential range. - Graphical abstract: The ball-polyhedral representation of the LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F crystal structure. The MO{sub 4}F{sub 2} units are depicted as blue octahedra, PO{sub 4} units as orange tetrahedra, sodium atoms are designated as yellow (Na1), lithium – red and brown (Li2, Li3 resp.), fluorine – green, oxygen – violet spheres. - Highlights: • Freeze-drying method was successfully applied to the synthesis of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F. • The crystal structure of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F was refined based on NPD and validated by ED and HRTEM. • LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F demonstrated a reversible Li de/intercalation in the 2.5÷4.6 V vs Li/Li{sup +} range.

Raman spectra from very concentrated aqueous NaOH and from wet and dry, solid, and anhydrous molten, LiOH, NaOH, and KOH.

Science.gov (United States)

Walrafen, George E; Douglas, Rudolph T W

2006-03-21

High-temperature, high-pressure Raman spectra were obtained from aqueous NaOH solutions up to 2NaOHH2O, with X(NaOH)=0.667 at 480 K. The spectra corresponding to the highest compositions, X(NaOH)> or =0.5, are dominated by H3O2-. An IR xi-function dispersion curve for aqueous NaOH, at 473 K and 1 kbar, calculated from the data of Franck and Charuel indicates that the OH- ion forms H3O2- by preferential H bonding with nonhydrogen-bonded OH groups. Raman spectra from wet to anhydrous, solid LiOH, NaOH, and KOH yield sharp, symmetric OH- stretching peaks at 3664, 3633, and 3596 cm(-1), respectively, plus water-related, i.e., H3O2-, peaks near LiOH, 3562 cm(-1), NaOH, 3596 cm(-1), and, KOH, 3500 cm(-1). Absence of H3O2- peaks from the solid assures that the corresponding melt is anhydrous. Raman spectra from the anhydrous melts yield OH- stretching peak frequencies: LiOH, 3614+/-4 cm(-1), 873 K; NaOH, 3610+/-2 cm(-1), 975 K; and, KOH, 3607+/-2 cm(-1), 773 K, but low-frequency asymmetry due to ion-pair interactions is present which is centered near 3550 cm(-1). The ion-pair-related asymmetry corresponds to the sole IR maximum near 3550 cm(-1) from anhydrous molten NaOH, at 623 K. Bose-Einstein correction of published low-frequency Raman data from molten LiOH revealed an acoustic phonon, near 205 cm(-1), related to restricted translation of OH- versus Li+, and an optical phonon, at 625 cm(-1) and tau approximately 0.05 ps, due to protonic precession and/or pendular motion. Strong H bonding between water and the O atom of OH- forms H3O2-, but the proton of OH- does not bond with H significantly. Large Raman bandwidths (aqueous solutions) are explained in terms of inhomogeneous broadening due to proton transfer in a double well. Vibrational assignments are presented for H3O2-.

Some features and results of thermal neutron background measurements with the [ZnS(Ag)+{sup 6}LiF] scintillation detector

Energy Technology Data Exchange (ETDEWEB)

Kuzminov, V.V.; Alekseenko, V.V.; Barabanov, I.R.; Etezov, R.A.; Gangapshev, A.M.; Gavrilyuk, Yu.M.; Gezhaev, A.M.; Kazalov, V.V. [Institute for Nuclear Research, 117312 Moscow (Russian Federation); Khokonov, A.Kh. [Kh.M. Berbekov Kabardino-Balkarian State University, 360004 (Russian Federation); Panasenko, S.I. [V.N. Karazin Kharkiv National University, 61022 Kharkiv (Ukraine); Ratkevich, S.S., E-mail: ssratk@gmail.com [V.N. Karazin Kharkiv National University, 61022 Kharkiv (Ukraine)

2017-01-01

Features of a thermal neutron test detector with thin scintillator [ZnS(Ag)+{sup 6}LiF] are described. Background of the detector and its registration efficiency were defined as a result of measurements. The thermal neutron flux at different locations, and for different conditions around the Baksan Neutrino Observatory are reported. - Highlights: • This paper describes tests of a thermal neutron detector based on a thin scintillator ZnS(Ag) with {sup 6}LiF. • The results are a measurement of the background neutron flux from the detector and the detector's efficiency. • The thermal neutron flux at different locations, and for different conditions around the Baksan Neutrino Observatory are reported.

In-situ electrochemical coating of Ag nanoparticles onto graphite electrode with enhanced performance for Li-ion batteries

International Nuclear Information System (INIS)

Yun, Jiaojiao; Wang, Yan; Gao, Tian; Zheng, Huiyuan; Shen, Ming; Qu, Qunting; Zheng, Honghe

2015-01-01

The effects of silver hexafluorophosphate (AgPF 6 ) as an electrolyte additive on the electrochemical behaviors of graphite anode are systematically studied by cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy. The surface structure and composition of graphite electrode after electrochemical cycles are investigated through scanning electron microscopy, X-ray diffraction, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy. It is found that Ag nanoparticles derived from electrochemical reduction of Ag + are homogenously distributed on the graphite surface. Significant improvements on the discharge capacity, rate behavior, and low-temperature performance of graphite electrode are obtained. The reasons are associated with the decreased resistances of solid-electrolyte interface and charge-transfer process, which improve the electrode kinetics for Li + intercalation/deintercalation

Effect of Phosphate Salts (Na3PO4, Na2HPO4, and NaH2PO4) on Ag3PO4 Morphology for Photocatalytic Dye Degradation under Visible Light and Toxicity of the Degraded Dye Products

NARCIS (Netherlands)

Amornpitoksuk, P; Intarasuwan, K; Suwanboon, S; Baltrusaitis, Jonas

2013-01-01

Ag3PO4 was synthesized by the precipitation method using three different types of phosphate salts (Na3PO4, Na2HPO4, and NaH2PO4) as a precipitating agent. Hydrolysis of each phosphate salt gave a specific pH that affected the purity and morphology of the prepared Ag3PO4. The Ag3PO4 prepared from

Crystallization behavior of Li2O-SiO2, Na2O-SiO2 and Na2O-CaO-SiO2 glasses; Li2O-SiO2, Na2O-SiO2, Na2O-CaO-SiO2 kei glass no kessho sekishutsu kyodo

Energy Technology Data Exchange (ETDEWEB)

Tsutsumi, K.; Otake, J.; Nagasaka, T.; Hino, M. [Tohoku University, Sendai (Japan)

1998-06-01

It has been known that crystallization of mold powder is effective on the disturbance of heat transfer between mold and solidified shell in production of middle carbon steel slabs in continuous casting process. But it has not yet been made clear which composition of mold powder is the most suitable for crystallization. The crystallization behavior of Li2O-SiO2, Na2O-SiO2 and Na2O-CaO-SiO2 glasses was observed by differential thermal analysis (DTA) and hot-thermocouple methods with DTA in the present work. As a result, addition of alkaline metal and alkaline earth metal oxides to SiO2 increased the critical cooling rate for glass formation in binary system of Li2O-SiO2 and Na2O-SiO2 and Li2O-SiO2 system crystallized easier than Na2O-SiO2 system. In ternary system of Na2O-CaO-SiO2, addition of Na2O hurried the critical cooling rate at CaO/SiO2=0.93 mass ratio, but the rate was almost constant in the composition range of more than 15 mass% Na2O. The slag of CaO/SiO2=0.93 made the rate faster than the slag of CaO/SiO2=0.47 at constant content of 10mass% Na2O. 17 refs., 10 figs., 3 tabs.

Nano-glass ceramic cathodes for Li+/Na+ mixed-ion batteries

DEFF Research Database (Denmark)

He, Wen; Zhang, Xudong; Jin, Chao

2017-01-01

reactions, and the influences of molar ratio of Fe/V on the structure and electrochemical properties of NGCs. This nanoscale design offers a new possibility improved the electrochemical performances of Li+/Na+ mixed-ion batteries (LNMIBs). The NGCs-3 electrode exhibits a higher discharge capacity (145 mAh g...

Atomic scattering in the diffraction limit: electron transfer in keV Li+-Na(3s, 3p) collisions

DEFF Research Database (Denmark)

Poel, Mike van der; Nielsen, C.V.; Rybaltover, M.

2002-01-01

We measure angle differential cross sections (DCS) in Li+ + Na --> Li + Na+ electron transfer collisions in the 2.7-24 keV energy range. We do this with a newly constructed apparatus which combines the experimental technique of cold target recoil ion momentum spectroscopy with a laser-cooled target...... of the de Broglie wavelength lambda(dB) = 150 fm at a velocity v = 0.20 au and the effective atomic diameter for electron capture 2R = 20 au. Parallel AO and MO semiclassical coupled-channel calculations of the Na(3s, 3p) --> Li(2s, 2p) state-to-state collision amplitudes have been performed, and quantum...

Emission analysis of Tb3+ -and Sm3+ -ion-doped (Li2 O/Na2 O/K2 O) and (Li2 O + Na2 O/Li2 O + K2 O/K2 O + Na2 O)-modified borosilicate glasses.

Science.gov (United States)

Naveen Kumar Reddy, B; Sailaja, S; Thyagarajan, K; Jho, Young Dahl; Sudhakar Reddy, B

2018-05-01

Four series of borosilicate glasses modified by alkali oxides and doped with Tb 3+ and Sm 3+ ions were prepared using the conventional melt quenching technique, with the chemical composition 74.5B 2 O 3 + 10SiO 2 + 5MgO + R + 0.5(Tb 2 O 3 /Sm 2 O 3 ) [where R = 10(Li 2 O /Na 2 O/K 2 O) for series A and C, and R = 5(Li 2 O + Na 2 O/Li 2 O + K 2 O/K 2 O + Na 2 O) for series B and D]. The X-ray diffraction (XRD) patterns of all the prepared glasses indicate their amorphous nature. The spectroscopic properties of the prepared glasses were studied by optical absorption analysis, photoluminescence excitation (PLE) and photoluminescence (PL) analysis. A green emission corresponding to the 5 D 4 → 7 F 5 (543 nm) transition of the Tb 3+ ions was registered under excitation at 379 nm for series A and B glasses. The emission spectra of the Sm 3+ ions with the series C and D glasses showed strong reddish-orange emission at 600 nm ( 4 G 5/2 → 6 H 7/2 ) with an excitation wavelength λ exci = 404 nm ( 6 H 5/2 → 4 F 7/2 ). Furthermore, the change in the luminescence intensity with the addition of an alkali oxide and combinations of these alkali oxides to borosilicate glasses doped with Tb 3+ and Sm 3+ ions was studied to optimize the potential alkali-oxide-modified borosilicate glass. Copyright © 2017 John Wiley & Sons, Ltd.

Raman spectroscopy, dielectric properties and phase transitions of Ag{sub 0.96}Li{sub 0.04}NbO{sub 3} ceramics

Energy Technology Data Exchange (ETDEWEB)

Niewiadomski, Adrian, E-mail: aniewiadomski@us.edu.pl [A. Chelkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice (Poland); Kania, Antoni [A. Chelkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice (Poland); Kugel, Godefroy E. [LMPOS, University of Metz and Supelec Metz, 2 rue E. Belin, Metz 57070 (France); Hafid, Mustapha [LPGC Dept. of Physics BP 133, Faculty of Science, Ibn Tofail University, 14000 Kenitra (Morocco); Sitko, Dorota [Institute of Physics, Pedagogical University, ul. Podchorazych 2, PL 30-084 Krakow (Poland)

2015-05-15

Highlights: • First Raman scattering studies of Ag{sub 0.96}Li{sub 0.04}NbO{sub 3}, allowed us to correlate temperature evolution of relaxational frequency γ{sub R}(T) with the Nb-ion dynamics and showed its changes at freezing temperature and ferrielectric transition. - Abstract: Silver lithium niobates Ag{sub 1−x}Li{sub x}NbO{sub 3} are promising lead free piezoelectrics. Good quality Ag{sub 0.96}Li{sub 0.04}NbO{sub 3} ceramics were obtained. Dielectric and DSC studies showed that, in comparison to AgNbO{sub 3,} temperatures of phase transitions slightly decrease. Dielectric studies pointed to enhancement of polar properties. Remnant polarisations achieves value of 0.6 μC/cm{sup 2}. Maximum of ϵ(T) dependences related to the relaxor-like ferroelectric/ferrielectric M{sub 1}–M{sub 2} transition becomes higher and more frequency dependent. Analysis of Raman spectra showed that two modes at 50 and 194 cm{sup −1} exhibit significant softening. Low frequency part of the Raman spectra which involve central peak and soft mode were analysed using two models. CP was assumed as relaxational vibration and described by Debye function. The slope of temperature dependences of relaxational frequency γ{sub R}(T) changes at approximately 470 and 330 K, indicating that slowing down process of relaxational vibrations changes in the vicinity of partial freezing of Nb-ion dynamics T{sub f} and further freezing at ferroelectric/ferrielectric phase transition.

The effect of positronium formation in e+ -Li and e+ -Na scattering

International Nuclear Information System (INIS)

Adhikari, S.K.; Ghosh, A.S.; Ray, H.

1994-02-01

The e + -Li and e + -Na scattering are studied, using the close coupling approximation in the static and coupled static expansion schemes. The effect of the positronium formation on the elastic channel is found to be strong in both cases. In the case of the lithium atom the effect is dramatic; the inclusion of the positronium formation channels transforms the purely repulsive effective e + -Li S wave (static) potential to a predominantly attractive (coupled static) potential. In this case, in the static model δ(0) - δ(∞) = π. According to Levinson's theorem this suggests the presence of a S wave bound or continuum bound state in the e + -Li system. (author)

Synthesis and visible-light-driven photocatalytic activity of p–n heterojunction Ag{sub 2}O/NaTaO{sub 3} nanocubes

Energy Technology Data Exchange (ETDEWEB)

Yang, Songbo [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Xu, Dongbo [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); School of Energy and Power Engineering, Jiangsu University, Zhenjiang 212013 (China); Chen, Biyi; Luo, Bifu [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Yan, Xu [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); School of Energy and Power Engineering, Jiangsu University, Zhenjiang 212013 (China); Xiao, Lisong, E-mail: xiaolisong123@sina.com [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Shi, Weidong, E-mail: swd1978@ujs.edu.cn [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China)

2016-10-15

Highlights: • We firstly report a facile way to prepare the visible-light-driven Ag{sub 2}O/NaTaO{sub 3}p–n heterojunction by chemical precipitation method. • The Ag{sub 2}O/NaTaO{sub 3} heterojunction shows the highest photocatalytic activity than the pure NaTaO{sub 3} and Ag{sub 2}O nanoparticles under visible light. • The enhancement of the heterojunction photocatalytic activity was discussed and the photocatalytic mechanism was tested in our paper. • In summary, we think that the Ag{sub 2}O/NaTaO{sub 3} heterojunction with the strong visible light absorption and efficient photocatalytic activity have been extended application in photocatalysis for organic dyes pollutants degradation and purification of water. - Abstract: The constructing of p–n heterojunction photocatalytic system has received much attention in environmental purification and hydrogen generation from water. In this study, an efficient visible-light-driven p–n heterojunction Ag{sub 2}O/NaTaO{sub 3} was successfully prepared by chemical precipitation method at room temperature. It showed an enhanced photocatalytic activity for the degradation of rhodamine B (RhB) under visible-light irradiation, much higher than those of either individual Ag{sub 2}O or NaTaO{sub 3}. The reactive species scavenger results indicated the superoxide anion radicals (·O{sup 2−}) played key roles in RhB decoloration. From the experimental results and the relative band gap position of these semiconductors, a detailed possible photocatalytic mechanism of the Ag{sub 2}O/NaTaO{sub 3} heterojunction under visible light was proposed. The enhancement of the photocatalytic activity was attributed to the interfacial electronic interaction between NaTaO{sub 3} and Ag{sub 2}O and the high migration efficiency of photogenerated carriers.

Recent Progress in Graphite Intercalation Compounds for Rechargeable Metal (Li, Na, K, Al)-Ion Batteries.

Science.gov (United States)

Xu, Jiantie; Dou, Yuhai; Wei, Zengxi; Ma, Jianmin; Deng, Yonghong; Li, Yutao; Liu, Huakun; Dou, Shixue

2017-10-01

Lithium-ion batteries (LIBs) with higher energy density are very necessary to meet the increasing demand for devices with better performance. With the commercial success of lithiated graphite, other graphite intercalation compounds (GICs) have also been intensively reported, not only for LIBs, but also for other metal (Na, K, Al) ion batteries. In this Progress Report, we briefly review the application of GICs as anodes and cathodes in metal (Li, Na, K, Al) ion batteries. After a brief introduction on the development history of GICs, the electrochemistry of cationic GICs and anionic GICs is summarized. We further briefly summarize the use of cationic GICs and anionic GICs in alkali ion batteries and the use of anionic GICs in aluminium-ion batteries. Finally, we reach some conclusions on the drawbacks, major progress, emerging challenges, and some perspectives on the development of GICs for metal (Li, Na, K, Al) ion batteries. Further development of GICs for metal (Li, Na, K, Al) ion batteries is not only a strong supplement to the commercialized success of lithiated-graphite for LIBs, but also an effective strategy to develop diverse high-energy batteries for stationary energy storage in the future.

Organic anodes and sulfur/selenium cathodes for advanced Li and Na batteries

Science.gov (United States)

Luo, Chao

To address energy crisis and environmental pollution induced by fossil fuels, there is an urgent demand to develop sustainable, renewable, environmental benign, low cost and high capacity energy storage devices to power electric vehicles and enhance clean energy approaches such as solar energy, wind energy and hydroenergy. However, the commercial Li-ion batteries cannot satisfy the critical requirements for next generation rechargeable batteries. The commercial electrode materials (graphite anode and LiCoO 2 cathode) are unsustainable, unrenewable and environmental harmful. Organic materials derived from biomasses are promising candidates for next generation rechargeable battery anodes due to their sustainability, renewability, environmental benignity and low cost. Driven by the high potential of organic materials for next generation batteries, I initiated a new research direction on exploring advanced organic compounds for Li-ion and Na-ion battery anodes. In my work, I employed croconic acid disodium salt and 2,5-Dihydroxy-1,4-benzoquinone disodium salt as models to investigate the effects of size and carbon coating on electrochemical performance for Li-ion and Na-ion batteries. The results demonstrate that the minimization of organic particle size into nano-scale and wrapping organic materials with graphene oxide can remarkably enhance the rate capability and cycling stability of organic anodes in both Li-ion and Na-ion batteries. To match with organic anodes, high capacity sulfur and selenium cathodes were also investigated. However, sulfur and selenium cathodes suffer from low electrical conductivity and shuttle reaction, which result in capacity fading and poor lifetime. To circumvent the drawbacks of sulfur and selenium, carbon matrixes such as mesoporous carbon, carbonized polyacrylonitrile and carbonized perylene-3, 4, 9, 10-tetracarboxylic dianhydride are employed to encapsulate sulfur, selenium and selenium sulfide. The resulting composites exhibit

Bibliographical review about Na/Li geo-thermometry and lithium isotopes applied to worldwide geothermal waters. Final report

International Nuclear Information System (INIS)

Sanjuan, B.; Millot, R.

2009-09-01

This study is performed within the framework of the FP6 European project HITI (High Temperature Instruments for supercritical geothermal reservoir characterization and exploitation). This research project, co-funded by EU and the different partners, aims to provide geophysical and geochemical sensors and methods to evaluate deep geothermal wells up to supercritical conditions (T > 370 deg. C), which are more cost-effective than those of the conventional wells. A deep geothermal well is currently being drilled for this purpose into the Krafla area, Iceland, as part of the IDDP ('Iceland Deep Drilling Project') and with joint funding from Icelandic industry and science Institutes. Another deep well will be drilled in the Reykjanes peninsula, Iceland, within the framework of the same project. This study, a bibliographical review about the Na/Li geo-thermometer and lithium isotopes applied on the world geothermal waters, is the first step of the task envisaged by BRGM to use and validate the sodium-lithium (Na-Li) chemical geo-thermometer on Icelandic geothermal waters at temperatures ranging from 25 to 500 deg. C. In this study, more than 120 temperature and chemical data from world geothermal and oil-fields, sedimentary basins, oceanic ridges, emerged rifts and island arcs have been collected and investigated. These additional data have allowed to confirm and refine the three existing Na/Li thermometric relationships. Moreover, a new Na/Li thermometric relationship relative to the processes of seawater or dilute seawater-basalt interaction occurring in the oceanic ridges and emerged rifts is proposed. Even if the running of Na/Li is still poorly understood, the existence of a new thermometric relationship confirms that the Na/Li ratios not only depend on the temperature but also on other parameters such as the fluid salinity and origin, or the nature of the reservoir rocks in contact with the geothermal fluids. For most of the geothermal waters in contact with

Terahertz reflection spectroscopy of aqueous NaCl and LiCl solutions

DEFF Research Database (Denmark)

Jepsen, Peter Uhd; Merbold, Hannes

2010-01-01

frequencies. Whereas both the real and imaginary part of the permittivity of NaCl increases with concentration,we see that the imaginary part of the permittivity of LiCl (related to the absorption)decreases with increasing salt concentration. We relate these changes to the behavior...

Electrokinetic properties of tantalum oxide deposited on model substrate in NaCl and LiCl solutions

International Nuclear Information System (INIS)

Sidorova, M.P.; Bogdanova, N.F.; Ermakova, L.Eh.; Bobrov, P.V.

1997-01-01

Electrokinetic characteristics of tantalum oxide have been studied using a model system - a plane-parallel capillary in chloride solutions containing monocharge (H + , Na + , Li + ) counterions in a wide range of pH and concentrations. It is shown that position of isoelectric point (IEP) of Ta 2 O 5 depends on concentration and type of counterion, moreover, the dependence is not explained in the framework of classical notions of the influence of counterion specific adsorption on IEP position. Electrokinetic potential of Ta 2 O-5 surface at the background of diluted LiCl solutions is higher in its absolute value, than at the background of NaCl solutions according to direct lyotropic series. The results of measurements of the capillary resistance dependence on pH at the background of NaCl and LiCl solutions 10 -3 -10 -1 M are used for the calculation of efficiency and specific surface conductivity factors

Microstructure and Mechanical Properties of Mg-11Li-6Zn-0.6Zr-0.4Ag-0.2Ca-x Y Alloys.

Science.gov (United States)

Kim, Yong-Ho; Yoo, Hyo-Sang; Son, Hyeon-Taek

2018-09-01

Magnesium and its alloys are potential candidates for many automotive and aerospace applications due to their low density and high specific strength. However, the use of magnesium as wrought products is limited because of its poor workability at ambient temperatures. Mg-Li alloys containing 5-11 wt.% Li exhibit a two-phase structure consisting of a α (hcp) Mg-rich phase and a β (bcc) Li-rich phase. Mg-Li alloys with Li content greater than 11 wt.% exhibit a single-phase structure consisting of only the β phase. In the present study, we studied the effects of Y addition on the microstructure and mechanical properties of Mg-11Li-6Zn-0.6Zr-0.4Ag-0.2Ca based alloys. The melt was maintained at 720 °C for 20 min and poured into a mold. Then, the as-cast Mg alloys were homogenized at 350 °C for 4 h and were hot-extruded onto a 4-mm-thick plate with a reduction ratio of 14:1. The as-cast Mg-11Li-6Zn-0.6Zr-0.4Ag-0.2Ca-xY (x 0, 1, 3, and 5 wt.%) alloys were composed of α-Mg, β-Li, γ-Mg2Zn3Li, I-Mg3YZn6, W-Mg3Y2Zn3, and X-Mg12YZn phases. By increasing the Y content from 0 to 5 wt.%, the composition of the W-Mg3Y2Zn3 phase increased. With increasing Y content, from 0 to 1, 3, and 5 wt.%, the average grain size and ultimate tensile of the as-extruded Mg alloys decreased slightly, from 8.4, to 3.62, 3.56, and 3.44 μm and from 228.92 to 215.57, 187.47, and 161.04 MPa, respectively, at room temperature.

Synthesis and visible-light-driven photocatalytic activity of p-n heterojunction Ag2O/NaTaO3 nanocubes

Science.gov (United States)

Yang, Songbo; Xu, Dongbo; Chen, Biyi; Luo, Bifu; Yan, Xu; Xiao, Lisong; Shi, Weidong

2016-10-01

The constructing of p-n heterojunction photocatalytic system has received much attention in environmental purification and hydrogen generation from water. In this study, an efficient visible-light-driven p-n heterojunction Ag2O/NaTaO3 was successfully prepared by chemical precipitation method at room temperature. It showed an enhanced photocatalytic activity for the degradation of rhodamine B (RhB) under visible-light irradiation, much higher than those of either individual Ag2O or NaTaO3. The reactive species scavenger results indicated the superoxide anion radicals (rad O2-) played key roles in RhB decoloration. From the experimental results and the relative band gap position of these semiconductors, a detailed possible photocatalytic mechanism of the Ag2O/NaTaO3 heterojunction under visible light was proposed. The enhancement of the photocatalytic activity was attributed to the interfacial electronic interaction between NaTaO3 and Ag2O and the high migration efficiency of photogenerated carriers.

Ag-Decorated ATaO3 (A = K, Na) Nanocube Plasmonic Photocatalysts with Enhanced Photocatalytic Water-Splitting Properties.

Science.gov (United States)

Xu, Dongbo; Yang, Songbo; Jin, Yu; Chen, Min; Fan, Weiqiang; Luo, Bifu; Shi, Weidong

2015-09-08

Tantalate semiconductor nanocrystals have been at the forefront of the photocatalytic conversion of solar energy to supply hydrogen owing to their favorable and tunable optical and electronic properties as well as advances in their synthesis. However, a narrow band gap is required for response to improve the efficiency of the photocatalysts. Here we propose an efficient enhancement of the H2 generation under simulated sunlight and visible light irradiation by a dispersion of Ag-decorated KTaO3 and NaTaO3 nanocubes. X-ray diffraction and UV-vis diffuse reflectance spectra are used to characterize the products. Transmission electron microscope (TEM) and high-resolution high-angle annular dark-field scanning TEM (HAADF-STEM) images show that the Ag nanoparticles (NPs) are uniformly loaded on the surfaces of KTaO3 and NaTaO3. The photocatalytic water-splitting results over Ag-decorated KTaO3 and NaTaO3 show that the rate for H2 evolution from aqueous CH3OH solutions is up to 185.60 and 3.54 μmol/h·g under simulated sunlight and the rate for H2 evolution is more than 2 times than that of pure NaTaO3 and KTaO3 materials. However, under purely visible light illumination the highest H2 evolution of 25.94 and 0.83 μmol/h·g is observed in the case of Ag-decorated KTaO3 and NaTaO3 nanocubes. To the best of our knowledge, this is the first time that the photocatalytic water-splitting activity of the prepared Ag-decorated KTaO3 and NaTaO3 nanocubes has been reported.

Effect of Li.sup.+./sup. ions co-doping on luminescence, scintillation properties and defects characteristics of LuAG:Ce ceramics

Czech Academy of Sciences Publication Activity Database

Liu, S.-P.; Feng, X. Q.; Mareš, Jiří A.; Babin, Vladimir; Hu, C.; Kou, H.; D'Ambrosio, C.; Li, J.; Pan, Y.; Nikl, Martin

2017-01-01

Roč. 64, Feb (2017), s. 245-249 ISSN 0925-3467 R&D Projects: GA ČR GA16-15569S Grant - others:AV ČR(CZ) CAS-17-02 Program:Bilaterální spolupráce Institutional support: RVO:68378271 Keywords : LuAG:Ce * Li ceramic s * scintillator * Li + codoping * Ce 4+ and Ce 3+ centers Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.238, year: 2016

Studies on Al-Cu-Li-Mg-Ag-Zr alloy processed through vacuum induction melting (VIM) technique

International Nuclear Information System (INIS)

Nayan, Niraj; Govind; Nair, K. Suseelan; Mittal, M.C.; Sudhakaran, K.N.

2007-01-01

A new technique of lithium addition has been adapted for the processing of Al-Cu-Li-Ag-Mg-Zr alloy, which gives more than 90% recovery of lithium throughout the billet. Processing studies on this alloy include casting, three step homogenization, to avoid incipient melting, and mechanical working particularly forging and rolling. The products in the form of sheets were subjected to various T6 (solution treatment + water quenching + aging) tempers. Mechanical properties were evaluated at room temperature and correlated with microstructure. Characterizations using optical microscope and post-fracture analysis have been carried out using Scanning electron microscope (SEM). Experimental investigation shows highest mechanical properties for the Al-1.3%Li alloy in T6 (500 deg. C/1 h + WQ + 190 deg. C/24 h) condition

Density functional theory studies on theelectronic, structural, phonon dynamicaland thermo-stability properties of bicarbonates MHCO3, M D Li, Na, K

Energy Technology Data Exchange (ETDEWEB)

Duan, Yuhua; Zhang, Bo; Sorescu, Dan C.; Johnson, Karl; Majzoub, Eric H; Luebke, David R.

2012-07-01

The structural, electronic, phonon dispersion and thermodynamic properties of MHCO3 (M D Li, Na, K) solids were investigated using density functional theory. The calculated bulk properties for both their ambient and the high-pressure phases are in good agreement with available experimental measurements. Solid phase LiHCO3 has not yet been observed experimentally. We have predicted several possible crystal structures for LiHCO3 using crystallographic database searching and prototype electrostatic ground state modeling. Our total energy and phonon free energy .FPH/ calculations predict that LiHCO3 will be stable under suitable conditions of temperature and partial pressures of CO2 and H2O. Our calculations indicate that the HCO 3 groups in LiHCO3 and NaHCO3 form an infinite chain structure through O H O hydrogen bonds. In contrast, the HCO 3 anions form dimers, .HCO 3 /2, connected through double hydrogen bonds in all phases of KHCO3. Based on density functional perturbation theory, the Born effective charge tensor of each atom type was obtained for all phases of the bicarbonates. Their phonon dispersions with the longitudinal optical–transverse optical splitting were also investigated. Based on lattice phonon dynamics study, the infrared spectra and the thermodynamic properties of these bicarbonates were obtained. Over the temperature range 0–900 K, the FPH and the entropies (S) of MHCO3 (M D Li, Na, K) systems vary as FPH.LiHCO3/ > FPH.NaHCO3/ > FPH.KHCO3/ and S.KHCO3/ > S.NaHCO3/ > S.LiHCO3/, respectively, in agreement with the available experimental data. Analysis of the predicted thermodynamics of the CO2 capture reactions indicates that the carbonate/bicarbonate transition reactions for Na and K could be used for CO2 capture technology, in agreement with experiments.

The kinetic and mechanistic aspects of the oxidative dehydrogenation of ethane over Li/Na/MgO catalysts

NARCIS (Netherlands)

Swaan, H.M.; Swaan, H.M.; Toebes, A.; Toebes, A.; van Ommen, J.G.; Seshan, Kulathuiyer; Ross, J.R.H.; Ross, J.R.H.

1992-01-01

Kinetic and mechanistic aspects of the oxidative dehydrogenation of ethane catalysed by Li/MgO and Li/Na/MgO have been investigated. Initial rate measurements at 600°C; revealed that the Li/MgO catalyst produced C2H4, CO2, CO and H2 by parallel reactions whereas the sodium-promoted catalyst produced

Nuclear spin polarized alkali beams (Li and Na): Production and acceleration

International Nuclear Information System (INIS)

Jaensch, H.; Becker, K.; Blatt, K.; Leucker, H.; Fick, D.

1987-01-01

Recent improvements of the Heidelberg source for polarized heavy ions (PSI) are described. By means of optical pumping in combination with the existing multipole separation magnet the beam figure of merit (polarization 2 x intensity) was doubled. 7 Li and 23 Na atomic beams can now be produced in pure hyperfine magnetic substates. Fast switching of the polarization is achieved by an adiabatic medium field transition. The hyperfine magnetic substate population is determined by laser-induced fluorescence spectroscopy. In routine operation atomic beams with nuclear polarization p α ≥0.85 (α=z, zz) are obtained. The acceleration of polarized 23 Na - ions by a 12 MV tandem accelerator introduces a new problem: the energy at the terminal stripper foil is not sufficient to produce a usable yield of naked ions. For partially stripped ions hyperfine interaction of the remaining electrons with the nuclear spin reduces the nuclear polarization. Using in addition the Heidelberg postaccelerator 23 Na 9+ beams of energies between 49 and 184 MeV were obtained with an alignment on target of P zz ≅0.45. 7 Li beams have also been accelerated up to 45 MeV with an alignment of P zz =0.69. (orig.)

Recent Progress in Graphite Intercalation Compounds for Rechargeable Metal (Li, Na, K, Al)‐Ion Batteries

Science.gov (United States)

Xu, Jiantie; Dou, Yuhai; Wei, Zengxi; Li, Yutao; Liu, Huakun; Dou, Shixue

2017-01-01

Abstract Lithium‐ion batteries (LIBs) with higher energy density are very necessary to meet the increasing demand for devices with better performance. With the commercial success of lithiated graphite, other graphite intercalation compounds (GICs) have also been intensively reported, not only for LIBs, but also for other metal (Na, K, Al) ion batteries. In this Progress Report, we briefly review the application of GICs as anodes and cathodes in metal (Li, Na, K, Al) ion batteries. After a brief introduction on the development history of GICs, the electrochemistry of cationic GICs and anionic GICs is summarized. We further briefly summarize the use of cationic GICs and anionic GICs in alkali ion batteries and the use of anionic GICs in aluminium‐ion batteries. Finally, we reach some conclusions on the drawbacks, major progress, emerging challenges, and some perspectives on the development of GICs for metal (Li, Na, K, Al) ion batteries. Further development of GICs for metal (Li, Na, K, Al) ion batteries is not only a strong supplement to the commercialized success of lithiated‐graphite for LIBs, but also an effective strategy to develop diverse high‐energy batteries for stationary energy storage in the future. PMID:29051856

Transport properties of molten-salt reactor fuel mixtures: the case of Na, Li, Be/F and Li, Be, Th/F salts

International Nuclear Information System (INIS)

Ignatiev, V.; Merzlyakov, A.; Afonichkin, V.; Khokhlov, V.; Salyulev, A.

2003-01-01

In this paper we have compiled transport properties information, available, on two types of FLiBe based salt mixtures (Na,Li,Be/F and Li,Be,Th/F) that are presently of importance in the design of innovative molten-salt burner reactors. Estimated and/or experimental values measured (particularly, from prior US and Russian studies, as well our recent studies) are given for the following properties: viscosity, thermal conductivity, phase transition behaviour, heat capacity, density and thermal expansion. (author)

Transport properties of molten-salt reactor fuel mixtures: the case of Na, Li, Be/F and Li, Be, Th/F salts

Energy Technology Data Exchange (ETDEWEB)

Ignatiev, V; Merzlyakov, A [Kurchatov Institute - KI (Russian Federation); Afonichkin, V; Khokhlov, V; Salyulev, A [Institute of High Temperature Electrochemisty (IHTE), RF Yuri Golovatov, Konstantin Grebenkine, Vladimir Subbotin Institute of Technical Physics (VNIITF) (Russian Federation)

2003-07-01

In this paper we have compiled transport properties information, available, on two types of FLiBe based salt mixtures (Na,Li,Be/F and Li,Be,Th/F) that are presently of importance in the design of innovative molten-salt burner reactors. Estimated and/or experimental values measured (particularly, from prior US and Russian studies, as well our recent studies) are given for the following properties: viscosity, thermal conductivity, phase transition behaviour, heat capacity, density and thermal expansion. (author)

Thermal analysis and phase diagrams of the LiF BiF{sub 3} e NaF BiF{sub 3} systems; Analise termica e diagramas de fase dos sistemas LiF-BiF{sub 3} e NaF-BiF{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Nakamura, Gerson Hiroshi de Godoy

2013-07-01

Investigations of the binary systems LiF-BiF{sub 3} and NaF-BiF{sub 3} were performed with the objective of clarifying the thermal behavior and phase equilibria of these systems and their intermediary phases, an important requisite for high-quality crystal growth. Several samples in the entire range of compositions (0 to 100 mol% BiF{sub 3}) of both systems were subjected to experiments of differential thermal analysis (DTA) and thermogravimetry (TG), and also of differential scanning calorimetry (DSC). A few specific compositions were selected for X-ray diffraction to supplement the experimental data. Due to the high vulnerability of BiF{sub 3} to oxygen contamination, its volatility and propensity to destroy metal parts upon heating, it was necessary to determine the optimal conditions for thermal analysis before investigating the systems themselves. Phase relations in the system LiF-BiF{sub 3} were completely clarified and a phase diagram was calculated and evaluated via the commercial software Factsage. The diagram itself consists in a simple peritectic system in which the only intermediary compound, LiBiF{sub 4}, decomposes into LiF and a liquid phase. The NaF-BiF{sub 3} system could not be completely elucidated and the phase relations in the NaF poor side (> 50% BiF{sub 3}) are still unknown. In the NaF rich side, however, the possible peritectoid decomposition of the compound NaBiF{sub 4} was identified. In both systems X-ray diffraction yielded crystal structures discrepant with the literature for the intermediary phases, LiBiF{sub 4}, NaBiF{sub 4} and a solid solution of NaF and BiF{sub 3} called {sup I.} The observed structures remain unknown and explanations for the discrepancies were proposed. (author)

The electronic structure and optical properties of ABP 2O 7 ( A = Na, Li) double phosphates

Science.gov (United States)

Hizhnyi, Yu. A.; Oliynyk, A.; Gomenyuk, O.; Nedilko, S. G.; Nagornyi, P.; Bojko, R.; Bojko, V.

2008-01-01

Partial densities of states and reflection spectra of NaAlP 2O 7, KAlP 2O 7 and LiInP 2O 7 double phosphate crystals are calculated by the full-potential linear-augmented-plane-wave (FLAPW) method. Experimental reflection spectra of KAlP 2O 7, CsAlP 2O 7 and NaInP 2O 7 are measured in the 4-20 eV energy range. The values of band gaps, Eg, are found from a comparison of experiment and calculations to be 6.0 eV for NaAlP 2O 7 and KAlP 2O 7, and 4.6 eV for LiInP 2O 7.

Selective sodium intercalation into sodium nickel-manganese sulfate for dual Na-Li-ion batteries.

Science.gov (United States)

Marinova, Delyana M; Kukeva, Rosica R; Zhecheva, Ekaterina N; Stoyanova, Radostina K

2018-04-26

Double sodium transition metal sulfates combine in themselves unique intercalation properties with eco-compatible compositions - a specific feature that makes them attractive electrode materials for lithium and sodium ion batteries. Herein, we examine the intercalation properties of novel double sodium nickel-manganese sulfate, Na2Ni1/2Mn1/2(SO4)2, having a large monoclinic unit cell, through electrochemical and ex situ diffraction and spectroscopic methods. The sulfate salt Na2Ni1/2Mn1/2(SO4)2 is prepared by thermal dehydration of the corresponding hydrate salt Na2Ni1/2Mn1/2(SO4)2·4H2O having a blödite structure. The intercalation reactions on Na2Ni1-xMnx(SO4)2 are studied in two model cells: half-ion cell versus Li metal anode and full-ion cell versus Li4Ti5O12 anode by using lithium (LiPF6 dissolved in EC/DMC) and sodium electrolytes (NaPF6 dissolved in EC:DEC). Based on ex situ XRD and TEM analysis, it is found that sodium intercalation into Na2Ni1/2Mn1/2(SO4)2 takes place via phase separation into the Ni-rich monoclinic phase and Mn-rich alluaudite phase. The redox reactions involving participation of manganese and titanium ions are monitored by ex situ EPR spectroscopy. It has been demonstrated that manganese ions from the sulfate salt are participating in the electrochemical reaction, while the nickel ions remain intact. As a result, a reversible capacity of about 65 mA h g-1 is reached. The selective intercalation properties determine sodium nickel-manganese sulfate as a new electrode material for hybrid lithium-sodium ion batteries that is thought to combine the advantages of individual lithium and sodium batteries.

Bibliographical review about Na/Li geo-thermometry and lithium isotopes applied to worldwide geothermal waters. Final report

Energy Technology Data Exchange (ETDEWEB)

Sanjuan, B.; Millot, R.

2009-09-15

This study is performed within the framework of the FP6 European project HITI (High Temperature Instruments for supercritical geothermal reservoir characterization and exploitation). This research project, co-funded by EU and the different partners, aims to provide geophysical and geochemical sensors and methods to evaluate deep geothermal wells up to supercritical conditions (T > 370 deg. C), which are more cost-effective than those of the conventional wells. A deep geothermal well is currently being drilled for this purpose into the Krafla area, Iceland, as part of the IDDP ('Iceland Deep Drilling Project') and with joint funding from Icelandic industry and science Institutes. Another deep well will be drilled in the Reykjanes peninsula, Iceland, within the framework of the same project. This study, a bibliographical review about the Na/Li geo-thermometer and lithium isotopes applied on the world geothermal waters, is the first step of the task envisaged by BRGM to use and validate the sodium-lithium (Na-Li) chemical geo-thermometer on Icelandic geothermal waters at temperatures ranging from 25 to 500 deg. C. In this study, more than 120 temperature and chemical data from world geothermal and oil-fields, sedimentary basins, oceanic ridges, emerged rifts and island arcs have been collected and investigated. These additional data have allowed to confirm and refine the three existing Na/Li thermometric relationships. Moreover, a new Na/Li thermometric relationship relative to the processes of seawater or dilute seawater-basalt interaction occurring in the oceanic ridges and emerged rifts is proposed. Even if the running of Na/Li is still poorly understood, the existence of a new thermometric relationship confirms that the Na/Li ratios not only depend on the temperature but also on other parameters such as the fluid salinity and origin, or the nature of the reservoir rocks in contact with the geothermal fluids. For most of the geothermal waters in contact

Thermal analysis and phase diagrams of the LiF BiF3 e NaF BiF3 systems

International Nuclear Information System (INIS)

Nakamura, Gerson Hiroshi de Godoy

2013-01-01

Investigations of the binary systems LiF-BiF 3 and NaF-BiF 3 were performed with the objective of clarifying the thermal behavior and phase equilibria of these systems and their intermediary phases, an important requisite for high-quality crystal growth. Several samples in the entire range of compositions (0 to 100 mol% BiF 3 ) of both systems were subjected to experiments of differential thermal analysis (DTA) and thermogravimetry (TG), and also of differential scanning calorimetry (DSC). A few specific compositions were selected for X-ray diffraction to supplement the experimental data. Due to the high vulnerability of BiF 3 to oxygen contamination, its volatility and propensity to destroy metal parts upon heating, it was necessary to determine the optimal conditions for thermal analysis before investigating the systems themselves. Phase relations in the system LiF-BiF 3 were completely clarified and a phase diagram was calculated and evaluated via the commercial software Factsage. The diagram itself consists in a simple peritectic system in which the only intermediary compound, LiBiF 4 , decomposes into LiF and a liquid phase. The NaF-BiF 3 system could not be completely elucidated and the phase relations in the NaF poor side (> 50% BiF 3 ) are still unknown. In the NaF rich side, however, the possible peritectoid decomposition of the compound NaBiF 4 was identified. In both systems X-ray diffraction yielded crystal structures discrepant with the literature for the intermediary phases, LiBiF 4 , NaBiF 4 and a solid solution of NaF and BiF 3 called I. The observed structures remain unknown and explanations for the discrepancies were proposed. (author)

Characterization of silver colloids formed in LiBbO3 by Ag and O implantation at room and elevated temperatures

International Nuclear Information System (INIS)

Williams, E.K.; Ila, D.; Darwish, A.; Poker, D.B.; Sarkisov, S.S.; Curley, M.J.; Wang, J.-C.; Svetchnikov, V.L.; Zandbergen, H.W.

1999-01-01

To address the issue of dispersion of Ag colloids in LiNbO 3 at heat treatment temperatures of 400-500 deg. C, Ag and O were implanted at energies of 160 and 35 keV, respectively, at room temperature (Rt) and at 500 deg. C. Fluences were 4x10 16 and 8x10 16 /cm 2 and the order of the Ag and O implants was varied. Electron paramagnetic resonance spectra indicated that only O followed by Ag implantation of 500 deg. C produced silver oxide. Optical absorption spectrometry and RBS showed significant differences in the dispersion of the colloids with implant temperature and implant order. Implantation of Ag at 1.5 MeV to a fluence of 2x10 16 /cm 2 followed by heat treatment at 500 deg. C for 1 h produced nonlinear optical waveguides with a nonlinear index of the order of 10 -10 cm 2 /W at 532 nm

On the roles of the dopants in LiF: Mg,Cu,Na,Si thermoluminescent material

International Nuclear Information System (INIS)

Lee, J. I.; Kim, J. L.; Chang, S. Y.; Chung, K. S.; Choe, H. S.

2005-01-01

In this paper, some results of the study on the roles of the dopants in the LiF:Mg,Cu,Na,Si thermoluminescent (TL) material that was developed at the Korea Atomic Energy Research Inst. for radiation protection are presented. Although there have been many studies to investigate the roles of the dopants in LiF:Mg,Cu,P TL material in the TL process, there are some discrepancies in the understanding of the roles of Cu and P between various researchers. In case of LiF:Mg,Cu,Na,Si TL material, there are a few studies on the roles of the dopants. Three kinds of samples in each of which one dopant is excluded, and the optimised sample, were prepared for this study. The measurements and analysis of the three-dimensional TL spectra, based on the temperature, wavelength and intensity, and the glow curves for those samples are used in this study. The results show that Mg plays a role in the trapping of the charge carriers and Cu plays a role in the luminescence recombination process; however, the effect of Na and Si on the glow curve structure and the TL emission spectra is much less than that of Mg and Cu. It is considered that Na and Si each plays a role in the improvement of the luminescence efficiency. (authors)

Cation incorporation into zirconium oxide in LiOH, NaOH, and KOH solutions

International Nuclear Information System (INIS)

Jeong, Y.H.; Kim, K.H.; Baek, J.H.

1999-01-01

To investigate the cation incorporation into zirconium oxide, SIMS analysis was performed on the specimens prepared to have an equal oxide thickness in LiOH, NaOH, and KOH solutions. Even though they have an equal oxide thickness in LiOH, NaOH, and KOH solutions, the penetration depth of cation into the oxide decreased with an increase in the ionic radius of cation. The cation is considered to control the corrosion in alkali hydroxide solutions and its effect is dependent on the concentration of alkali and the oxide thickness. The slight enhancement of the corrosion rate at a low concentration is thought to be caused by cation incorporation into oxide, while the significant acceleration at a high concentration is due to the transformation of oxide microstructures that would be also induced by cation incorporation into oxide. (orig.)

Hydrogen storage properties of Na-Li-Mg-Al-H complex hydrides

International Nuclear Information System (INIS)

Tang Xia; Opalka, Susanne M.; Laube, Bruce L.; Wu Fengjung; Strickler, Jamie R.; Anton, Donald L.

2007-01-01

Lightweight complex hydrides have attracted attention for their high storage hydrogen capacity. NaAlH 4 has been widely studied as a hydrogen storage material for its favorable reversible operating temperature and pressure range for automotive fuel cell applications. The increased understanding of NaAlH 4 has led to an expanded search for high capacity materials in mixed alkali and akali/alkaline earth alanates. In this study, promising candidates in the Na-Li-Mg-Al-H system were evaluated using a combination of experimental chemistry, atomic modeling, and thermodynamic modeling. New materials were synthesized using solid state and solution based processing methods. Their hydrogen storage properties were measured experimentally, and the test results were compared with theoretical modeling assessments

The influence of post-annealing treatment on the wettability of Ag+/Na+ ion-exchanged soda-lime glasses

International Nuclear Information System (INIS)

Razzaghi, Ahmad; Maleki, Maniya; Azizian-Kalandaragh, Yashar

2013-01-01

In this paper, the effect of thermal annealing and the duration of ion-exchange on the wetting parameters of the Ag + /Na + ion-exchanged glasses have been reported. The analysis of wetting angle in different post-annealing temperatures shows that the wetting angle is increased by increasing the annealing temperature. The wetting parameters of Ag + /Na + ion-exchanged glasses at different ion-exchanged periods of time have been also investigated. Scanning electron microscopy (SEM), UV–Visible spectroscopy and Fourier transform infrared (FTIR) spectroscopy have been used for determination of surface morphology and composition analysis of the prepared samples. The results of SEM show changes in the surface of the samples for different post-annealing temperatures. The optical characterization using UV–Vis spectroscopy shows an increase in the intensity of the absorption peak with increasing the ion-exchange duration. The FTIR spectroscopy confirms the formation of silver oxide material on the surface of Ag + /Na + ion-exchanged glasses.

The ion exchange properties and equilibrium constants of Li+, Na+ and K+ on zirconium phosphate highly dispersed on a cellulose acetate fibers surface

Directory of Open Access Journals (Sweden)

Borgo Claudemir Adriano

2004-01-01

Full Text Available Highly dispersed zirconium phosphate was prepared by reacting celullose acetate/ZrO2 (ZrO2 = 11 wt%, 1.0 mmol g-1 of zirconium atom per gram of the material with phosphoric acid. High power decoupling magic angle spinning (HPDEC-MAS 31P NMR and X-ray photoelectron spectroscopy data indicated that HPO4(2- is the species present on the membrane surface. The specific concentration of acidic centers, determined by ammonia gas adsorption, is 0.60 mmol g-1. The ion exchange capacities for Li+, Na+ and K+ ions were determined from ion exchange isotherms at 298 K and showed the following values (in mmol g-1: Li+= 0.05, Na+= 0.38 and K+= 0.57. Due to the strong cooperative effect, the H+/Na+ and H+/K+ ion exchange is of non ideal nature. These ion exchange equilibria were treated with the use of models of fixed tridentate centers, which consider the surface of the sorbent as polyfunctional sorption centers. Both the observed ion exchange capacities with respect to the alkaline metal ions and the equilibrium constants are discussed by taking into consideration the sequence of the ionic hydration radii for Li+, Na+ and K+. The matrix affinity for the ions decreases with increasing the cations hydration radii from K+ to Li+. The high values of the separation factors S Na+/Li+ and S K+/Li+ (up to several hundreds support the application of this material for the quantitative separation of Na+ and K+ from Li+ from a mixture containing these three ions.

Circular magnetic dichroism of the Fa center adsorption in KCl doped with Li and Na

International Nuclear Information System (INIS)

Baldacchini, G.; Botti, S.; Grassano, U.M.

1990-01-01

The spin-orbit structure of F A in KCl:Li and KCl:Na have been studied by means of the magnetic circular dichroism. Due to their C 4V , symmetry the F A centers have two different spin-orbit parameters, Δ * and Δ * , which only in the KCl:Li case follow the relation: Δ * F A centers have been determined using the method of moment

Knight shift of 23Na and 7Li nuclei in liquid sodium-lithium alloys

International Nuclear Information System (INIS)

Feitsma, P.D.

1977-01-01

The Knight shift of 23 Na and 7 Li nuclei in liquid sodium-lithium alloys has been measured. Some aspects of the theoretical interpretation of the Knight shift within the diffraction model, are clarified

Gallium oxide nanorods as novel, safe and durable anode material for Li- and Na-ion batteries

International Nuclear Information System (INIS)

Meligrana, Giuseppina; Lueangchaichaweng, Warunee; Colò, Francesca; Destro, Matteo; Fiorilli, Sonia; Pescarmona, Paolo P.; Gerbaldi, Claudio

2017-01-01

Highlights: • Gallium oxide nanorods applied for the first time as anode material for Li-/Na-ion batteries. • Durable ambient temperature cycling (400 cycles) was observed in Li-based cells. • Stable reversible cycling (> 200 mAh g"−"1) was achieved for the first time in Na-based cells. - Abstract: Gallium oxide nanorods prepared by template-free synthesis are reported for the first time as safe and durable anode material for lithium- and sodium-ion batteries. The ambient temperature electrochemical response of the nanorods, tested by cyclic voltammetry and constant-current reversible cycling, is highly satisfying in terms of remarkable stability and capacity retention upon long-term operation (400 cycles), even at high current densities. The newly proposed application of gallium oxide nanorods as electrode material is notable also because this material can preserve the electrical pathway without the need of any “buffer matrix” to compensate for the expansion upon lithium or sodium reversible storage. The highly promising electrochemical performance is attributed to the high aspect ratio and high surface area that stem from the nanorod morphology and which can lead to short diffusion path and fast kinetics of both cations (Li"+ or Na"+) and electrons.

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

International Nuclear Information System (INIS)

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

2011-01-01

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

Efeito da adição de Na2O na viscosidade e devitrificação do vidro obtido a partir de cinzas volantes e Li2O Influence of Na2O on the viscosity and devitrification behavior of glasses obtained from fly ashes and Li2O

Directory of Open Access Journals (Sweden)

Etney Neves

1998-07-01

Full Text Available Glass-ceramic materials can be produced by the addition of LiO2 to fly ashes disposible in Southern Brazil. These glass-ceramics are based on the Al2O3-SiO2-Li 2O system. The high viscosity of the obtained glasses, however, makes forming useful articles with these materials difficult. In this study we investigate the effect of adding low cost Na2CO3 on the melt viscosity and on the nature of the developed crystalline phases. It was intended that the ultimate crystalline phase (LiAlSi3O8 should not be altered. With additions up to 3 wt. % Na2CO3, the viscosity was apparently lowered and no new crystalline phase were detected.

Textured and tungsten-bronze-niobate-doped (K,Na,Li)(Nb,Ta)O3 piezoceramic materials

International Nuclear Information System (INIS)

Soller, Thomas; Bathelt, Robert; Benkert, Katrin; Bodinger, Hermann; Schuh, Carsten; Schlenkrich, Falko

2010-01-01

In this study, the effects of an alkaline-earth niobate doping in tungsten-bronze (TB) stoichiometry on the piezoelectric properties and the phase transition temperatures of lead-free (K,Na,Li)(Nb,Ta)O 3 ceramics were investigated. In particular, the TB compounds barium niobate (BN), barium sodium niobate (BNN) and strontium calcium sodium niobate (SCNN) were investigated. The TB-modified ceramics show promising piezoelectric properties with large-signal piezo coefficients, d 33 * lose to 400 pm/V, planar coupling coefficients, k p , up to 0.45 and Curie temperatures of approximately 310 .deg. C. In addition, the effect of texturing on the undoped (K,Na,Li)(Nb,Ta)O 3 base composition via templated grain growth (TGG) with microcrystalline NaNbO 3 templates was examined. Lotgering factors up to 81% and strain enhancements by a factor 1.5 with large-signal values of d 33 * up to 550 pm/V could be achieved in the textured samples.

Functionalized NbS2 as cathode for Li- and Na-ion batteries

KAUST Repository

Zhu, Jiajie

2017-07-27

Cathodes of Li- and Na-ion batteries usually have capacities <200 mAh/g, significantly less than the anodes. Two-dimensional materials can overcome this limitation but suffer from low voltages. In this context, we investigate NbS2 functionalized by O, F, and Cl as a cathode material by first-principles calculations, considering both the conversion and intercalation mechanisms. NbS2O2 shows a higher voltage than NbS2 for both Li and Na, but the voltage decreases drastically for increasing ion coverage. Even higher voltages and favorable dependences on the ion coverage are achieved by F and Cl functionalization. We obtain NbS2F2 and NbS2Cl2 energy densities of 1223 mW h/g and 823 mW h/g for lithiation and 1086 mW h/g and 835 mW h/g for sodiation, respectively. These values are higher than those for most state-of-the-art cathode materials (∼600 mW h/g). In addition, low diffusion barriers enable high cycling rates.

Functionalized NbS2 as cathode for Li- and Na-ion batteries

KAUST Repository

Zhu, Jiajie; Alshareef, Husam N.; Schwingenschlö gl, Udo

2017-01-01

Cathodes of Li- and Na-ion batteries usually have capacities <200 mAh/g, significantly less than the anodes. Two-dimensional materials can overcome this limitation but suffer from low voltages. In this context, we investigate NbS2 functionalized by O, F, and Cl as a cathode material by first-principles calculations, considering both the conversion and intercalation mechanisms. NbS2O2 shows a higher voltage than NbS2 for both Li and Na, but the voltage decreases drastically for increasing ion coverage. Even higher voltages and favorable dependences on the ion coverage are achieved by F and Cl functionalization. We obtain NbS2F2 and NbS2Cl2 energy densities of 1223 mW h/g and 823 mW h/g for lithiation and 1086 mW h/g and 835 mW h/g for sodiation, respectively. These values are higher than those for most state-of-the-art cathode materials (∼600 mW h/g). In addition, low diffusion barriers enable high cycling rates.

Theoretical Study on Cyclopeptides as the Nanocarriers for Li+, Na+, K+ and F−, Cl−, Br−

Directory of Open Access Journals (Sweden)

Lili Liu

2015-01-01

Full Text Available The interaction process between a series of cyclopeptide compounds cyclo(Glyn  (n=4,6,8 and monovalent ions (Li+, Na+, K+, F−, Cl−, and Br− was studied using theoretical calculation. The mechanism of combination between the cyclo(Glyn and ions was discussed through binding energy, Mulliken electron population, and hydrogen bond. It was found that for the same cyclopeptide the binding energy has the order of cyclo(Glyn–Li+ > cyclo(Glyn–Na+ > cyclo(Glyn–K+ and cyclo(Glyn–F− > cyclo(Glyn–Br− > cyclo(Glyn–Cl−. The binding energy manifests the stable complex of cyclo(Glyn and ions can be formed, and the different energy shows the potential use of cyclo(Glyn as nanocarriers for metal ions or the extractant for ions separation.

Structure factors and phonon dispersion in liquid Li0.61Na0.39 alloy

International Nuclear Information System (INIS)

Pratap, Arun; Lad, Kirit N.; Raval, K.G.

2004-01-01

The phonon spectra for liquid Li and Na have been computed through the phenomenological model of Bhatia and Singh for disordered systems like liquids and glasses and the obtained results have been compared with the available data obtained by inelastic neutron scattering (INS) and inelastic X-ray scattering (IXS) experiments. The effective pair potentials and their space derivatives are important ingredients in the computation of the dispersion curves. The pair potentials are obtained using the pseudo-potential theory. The empty core model proposed by Ashcroft is widely used for pseudo-potential calculations for alkali metals. But, it is thought to be unsuitable for Li because of its simple 1s electronic structure. However, it can be used with an additional term known as Born-Mayer (BM) core term. The influence of the BM core term on the phonon dispersion is discussed. The same pseudo-potential formalism has been employed to obtain the dispersion relation in liquid Li 0.61 Na 0.39 alloy. Apart from the phonon spectra, the Ashcroft-Langreth structure factors in the alloy are derived in the Percus-Yevick approximation. (author)

New thermally stable red-emitting phosphors Pr{sup 3+}, M{sup +}:SrB{sub 4}O{sub 7} (M=Li, Na, K)

Energy Technology Data Exchange (ETDEWEB)

Xiong, F.B., E-mail: fbxiong@xmut.edu.cn [Department of Optoelectronics, Xiamen University of Technology, Xiamen 361024 (China); Fujian Provincial Key Laboratory of Optoelectronic Information Materials and Devices, Xiamen University of Technology, Xiamen 361024 (China); Lin, H.F.; Xu, Y.C.; Shen, H.X. [Department of Optoelectronics, Xiamen University of Technology, Xiamen 361024 (China); Zhu, W.Z. [Department of Optoelectronics, Xiamen University of Technology, Xiamen 361024 (China); Fujian Provincial Key Laboratory of Optoelectronic Information Materials and Devices, Xiamen University of Technology, Xiamen 361024 (China)

2016-09-15

New red-emitting phosphors Pr{sup 3+}, M{sup +}:SrB{sub 4}O{sub 7} (M=Li, Na, K) in pure phase were synthesized via high-temperature solid-state reaction. Luminescent properties of those phosphors were characterized in detail. Pr{sup 3+}, M{sup +}:SrB{sub 4}O{sub 7} (M=Li, Na, K) can be excited under the range of 430–500 nm excitation, which covers the emission spectra of blue InGaN chip, exhibits pure red emission bands centered at 605 and 662 nm. The alkali-metal Li{sup +}, Na{sup +}, or K{sup +} acting as charge compensators can improve fluorescent emission intensities of Pr{sup 3+} ions, and Pr{sup 3+}, Na{sup +}:SrB{sub 4}O{sub 7} shows the strongest emission intensities among those phosphors. Concentration quenching could be attributed to electric dipole–dipole interaction among Pr{sup 3+} ions. The temperature-dependent luminescence indicated Pr{sup 3+}, Na{sup +}:SrB{sub 4}O{sub 7} shows highly thermal stability. Those work suggests that Pr{sup 3+}, M{sup +}:SrB{sub 4}O{sub 7} (M=Li, Na, K) as thermally stable red-emitting phosphor might be potentially applied in WLED.

Improved the lithium storage capability of BaLi2Ti6O14 by electroless silver coating

International Nuclear Information System (INIS)

Lin, Xiaoting; Wang, Pengfei; Li, Peng; Yu, Haoxiang; Qian, Shangshu; Shui, Miao; Wang, Dongjie; Long, Nengbing; Shu, Jie

2015-01-01

Highlights: • BaLi 2 Ti 6 O 14 /Ag is fabricated via a facile electroless deposition. • Highly dispersed Ag nanoparticles are successively coated on BaLi 2 Ti 6 O 14 . • BaLi 2 Ti 6 O 14 /Ag is used as anode material for lithium storage. • BaLi 2 Ti 6 O 14 /Ag exhibits improved lithium storage capability. - Abstract: To form BaLi 2 Ti 6 O 14 /Ag, highly dispersed Ag nanoparticles are successfully deposited on the surface of BaLi 2 Ti 6 O 14 by a simple chemical deposition method. The morphology, quantity and size of Ag nanoparticles in BaLi 2 Ti 6 O 14 /Ag composites are significantly influenced by the Ag coating contents. Electrochemical results show that Ag nanoparticles play a positive role in reducing redox polarization and improving electrical conductivity of BaLi 2 Ti 6 O 14 during lithiation/delithiation processes. Among all the as-obtained products, 6 wt.% Ag coated BaLi 2 Ti 6 O 14 shows the highest initial charge specific capacity of 160 mAh g −1 at the current density of 100 mA g −1 (1C), which is much higher than the 149.1 mAh g −1 for bare BaLi 2 Ti 6 O 14 . After 100 charge/discharge cycles, the reversible capacity can be maintained at 117.0 mAh g −1 . Moreover, this sample also shows excellent rate performance with high reversible charge capacities of 147.5, 139.7, 132.6, and 126.7 mAh g −1 at the rates of 2C, 3C, 4C and 5C, respectively. Compared with bare BaLi 2 Ti 6 O 14 , the superior electrochemical performance indicates that BaLi 2 Ti 6 O 14 /Ag can be a good anode material in lithium ion batteries.

Lithium Insertion in LiCr3O8, NaCr3O8, and KCr3O8 at Room Temperature and at 125°C

DEFF Research Database (Denmark)

Koksbang, R.; Fauteux, D.; Norby, P.

1989-01-01

Lithium insertion and deinsertion reactions have been carried out with LiCr3O8, NaCr3O8, and KCr3O8 chemically andelectrochemically at room temperature and at 125°C. The electrochemical experiments were performed with a nonaqueousliquid electrolyte at room temperature and with a polymer electroly...... is close to 4Li/NaCr3O8 and 1.3Li/KCr3O8.Lithium ion diffusion coefficients are similar for the two compounds in the comparable composition range.Thermally, the fully lithiated compounds appear to be as stable as the pristine materials.......Lithium insertion and deinsertion reactions have been carried out with LiCr3O8, NaCr3O8, and KCr3O8 chemically andelectrochemically at room temperature and at 125°C. The electrochemical experiments were performed with a nonaqueousliquid electrolyte at room temperature and with a polymer electrolyte....... At elevated temperatures, the isostructural compounds NaCr3O8 and KCr3O8 are able to accommodate morethan 4Li/MCr3O8. During this process, minor structural changes are observed. At room temperature, NaCr3O8 and KCr3O8also accommodate Li topotactically, but the maximum number of Li inserted per formula...

Porous-Nickel-Scaffolded Tin-Antimony Anodes with Enhanced Electrochemical Properties for Li/Na-Ion Batteries.

Science.gov (United States)

Li, Jiachen; Pu, Jun; Liu, Ziqiang; Wang, Jian; Wu, Wenlu; Zhang, Huigang; Ma, Haixia

2017-08-02

The energy and power densities of rechargeable batteries urgently need to be increased to meet the ever-increasing demands of consumer electronics and electric vehicles. Alloy anodes are among the most promising candidates for next-generation high-capacity battery materials. However, the high capacities of alloy anodes usually suffer from some serious difficulties related to the volume changes of active materials. Porous supports and nanostructured alloy materials have been explored to address these issues. However, these approaches seemingly increase the active material-based properties and actually decrease the electrode-based capacity because of the oversized pores and heavy mass of mechanical supports. In this study, we developed an ultralight porous nickel to scaffold with high-capacity SnSb alloy anodes. The porous-nickel-supported SnSb alloy demonstrates a high specific capacity and good cyclability for both Li-ion and Na-ion batteries. Its capacity retains 580 mA h g -1 at 2 A g -1 after 100 cycles in Li-ion batteries. For a Na-ion battery, the composite electrode can even deliver a capacity of 275 mA h g -1 at 1 A g -1 after 1000 cycles. This study demonstrates that combining the scaffolding function of ultralight porous nickel and the high capacity of the SnSb alloy can significantly enhance the electrochemical performances of Li/Na-ion batteries.

Magnetoplastic effect in irradiated NaCl and LiF crystals

International Nuclear Information System (INIS)

Al'shitz, V.I.; Darinskaya, E.V.; Kazakova, O.L.

1997-01-01

The effect of low x-ray irradiation doses (≅10 2 rad) on the magnetoplastic effect - the detachment of dislocations from paramagnetic centers under the action of an external magnetic field B - in alkali-halide crystals has been investigated. The measurements were performed on LiF crystals and three types of NaCl crystals, differing in impurity content. The dependence of the mean free path l of the dislocations on the rotational frequency ν of a sample in a magnetic field was especially sensitive to low irradiation doses. In unirradiated crystals this dependence is a single-step dependence and is characterized by a critical frequency ν c ∝B 2 above which the magnetoplastic effect is not observed. The frequency ν c depends only on the type of paramagnetic centers, and not on their density. Even the lowest irradiation dose employed ( c2 , that is insensitive to the irradiation dose, and that corresponds to the appearance of magnetically sensitive stoppers of a new type under irradiation. The initial critical frequency ν c1 , as a rule, also varies with the dose, reflecting the change in state of the impurity complexes (Ca in NaCl and Mg in LiF). Specifically, it is shown for NaCl(Ca) crystals that as the irradiation dose increases, the frequency ν c1 increases, gradually approaching the value ν c2 , so that by the time the dose is ≅300 rad, the dependence l(ν) once again becomes a single-step dependence, dropping sharply only for ν≥ν c2 . It is shown that the addition of a small number of Ni atoms to a NaCl crystal makes the Ca complexes radiation resistant, and the critical frequency ν c1 corresponding to them initially equals ν c2 for crystals with no Ni. The recombination kinetics of radiation defects in the case in which the samples are irradiated under a tungsten lamp was investigated. A possible physical model of the observed dependences is discussed

Nanosized {alpha}-LiFeO{sub 2} as electrochemical supercapacitor electrode in neutral sulfate electrolytes

Energy Technology Data Exchange (ETDEWEB)

Santos-Pena, J., E-mail: iq2sanpe@uco.e [Departamento de Quimica Inorganica e Ingenieria Quimica, Edificio Marie Curie, Campus de Rabanales, Universidad de Cordoba, 14071 Cordoba (Spain); Crosnier, O.; Brousse, T. [Laboratoire de Genie des Materiaux et Procedes Associes, Ecole Polytechnique de l' Universite de Nantes, Site de la Chantrerie, rue Christian Pauc s/n, 44376 Nantes Cedex 3 (France)

2010-10-30

In this work we have explored the electrochemical properties of two lithiated iron oxide powders for supercapacitor purposes. These samples mainly consisted of {alpha}-LiFeO{sub 2} in nanosized or micrometric form. Electrolyte was an aqueous 0.5 M Li{sub 2}SO{sub 4} solution and voltage range studied was between 0 and -0.7 V vs. a Ag/AgCl reference electrode. As expected, electrochemical performance was dependent on the particle size. When electrolyte was deaerated a stable capacitance of {approx}50 F g{sup -1} is provided by the nanosized sample for several hundred cycles. Other sulfate based salts (Na{sub 2}SO{sub 4}, K{sub 2}SO{sub 4}, Cs{sub 2}SO{sub 4}) were investigated as electrolytes but only Li{sub 2}SO{sub 4} leads to a stable capacitance upon cycling, probably due to lithium intercalation. An hybrid cell consisting of this sample and MnO{sub 2} as negative and positive electrodes, respectively, delivered 0.3 F cm{sup -2} (10 F g{sup -1}). Although these values are lower than reported for other aqueous hybrid cell, {alpha}-LiFeO{sub 2}/MnO{sub 2} asymmetric capacitor is interesting from both, an economic and an environmental point of view.

Anode property of carbon coated LiFePO4 nanocrystals

Science.gov (United States)

Ni, Jiangfeng; Jiang, Jiaxing; Savilov, S. V.; Aldoshin, S. M.

2016-10-01

Nanostructured LiFePO4 is appealing cathode material for rechargeable lithium batteries. Herein, however, we report the intriguing anode properties of carbon coated LiFePO4 nanocrystals. In the potential range of 0-3.0 V, the LiFePO4 nanocrystal electrodes afford high reversible capacity of 373 mAhg-1 at a current rate of 0.05 Ag-1 and retains 239 mAhg-1 at a much higher rate of 1.25 Ag-1. In addition, it is capable of sustaining 1000 cycles at 1.25 Ag-1 without any capacity fading. Such superior properties indicate that nanostructured LiFePO4 could also be promising anode for rechargeable battery applications.

Lithium fluxes indicate presence of Na-Cl cotransport (NCC) in human lens epithelial cells.

Science.gov (United States)

Lauf, Peter K; Chimote, Ameet A; Adragna, Norma C

2008-01-01

During regulatory volume decrease (RVD) of human lens epithelial cells (hLECs) by clotrimazole (CTZ)-sensitive K fluxes, Na-K-2Cl cotransport (NKCC) remains active and K-Cl cotransport (KCC) inactive. To determine whether such an abnormal behavior was caused by RVD-induced cell shrinkage, NKCC was measured in the presence of either CTZ or in high K media to prevent RVD. NKCC transports RbCl + NaCl, and LiCl + KCl; thus ouabain-insensitive, bumetanide-sensitive (BS) or Cl-dependent (ClD) Rb and Li fluxes were determined in hyposmotic high NaCl media with CTZ, or in high KCl media alone, or with sulfamate (Sf) or nitrate as Cl replacement at varying Rb, Li or Cl mol fractions (MF). Unexpectedly, NKCC was inhibited by 80% with CTZ (IC(50) = 31 microM). In isosmotic (300 mOsM) K, Li influx was approximately 1/3 of Rb influx in Na, 50% lower in Sf, and bumetanide-insensitive (BI). In hypotonic (200 mOsM) K, only the ClD but not BS Li fluxes were detected. At Li MFs from 0.1-1, Li fluxes fitted a bell-shaped curve maxing at approximately 0.6 Li MF, with the BS fluxes equaling approximately 1/4 of the ClD-Li influx. The difference, i.e. the BI/ClD Li influx, saturated with increasing Li and Cl MFs, with K(ms) for Li of 11 with, and 7 mM without K, and of approximately 46 mM for Cl. Inhibition of this K-independent Li influx by thiazides was weak whilst furosemide (<100 microM) was ineffective. Reverse transcription polymerase chain reaction and Western blots verified presence of both NKCC1 and Na-Cl cotransport (NCC). In conclusion, in hyposmotic high K media, which prevents CTZ-sensitive K flux-mediated RVD in hLECs, NKCC1, though molecularly expressed, was functionally silent. However, a K-independent and moderately thiazide-sensitive ClD-Li flux, i.e. LiCC, likely occurring through NCC was detected operationally and molecularly. (c) 2008 S. Karger AG, Basel.

Antibacterial Ag/a-C nanocomposite coatings: The influence of nano-galvanic a-C and Ag couples on Ag ionization rates

Energy Technology Data Exchange (ETDEWEB)

Manninen, N.K., E-mail: nora.sousa@dem.uc.pt [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); GRF-CFUM, Physics Department, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); Calderon, S. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); GRF-CFUM, Physics Department, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); Carvalho, I. [GRF-CFUM, Physics Department, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); CEB—Centre of Biological Engineering, LIBRO-Laboratório de Investigação em Biofilmes Rosário Oliveira, University of Minho, 4710-057 Braga (Portugal); Henriques, M. [CEB—Centre of Biological Engineering, LIBRO-Laboratório de Investigação em Biofilmes Rosário Oliveira, University of Minho, 4710-057 Braga (Portugal); Cavaleiro, A. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Carvalho, S. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); GRF-CFUM, Physics Department, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal)

2016-07-30

Highlights: • Amorphous carbon (a-C), Ag/a-C and Ag coatings were deposited by magnetron sputtering. • a-C/Ag coating shows antibacterial activity against S. epidermidis. • The formation of nano-galvanic couples in a-C/Ag enhances the Ag{sup +} ionization rate. • The Ag{sup +} ionization occurs along with Ag nanoparticles agglomeration in 0.9% NaCl. - Abstract: Biofilm formation has been pointed as a major concern in different industrial applications, namely on biomedical implants and surgical instruments, which has prompted the development of new strategies for production of efficient antimicrobial surfaces. In this work, nano-galvanic couples were created to enhance the antibacterial properties of silver, by embedding it into amorphous carbon (a-C) matrix. The developed Ag/a-C nanocomposite coatings, deposited by magnetron sputtering, revealed an outstanding antibacterial activity against Staphylococcus epidermidis, promoting a total reduction in biofilm formation with no bacteria counts in all dilution. The open circuit potential (OCP) tests in 0.9% NaCl confirmed that a-C shows a positive OCP value, in contrast to Ag coating, thus enhancing the ionization of biocidal Ag{sup +} due to the nano-galvanic couple activation. This result was confirmed by the inductively coupled plasma-optical emission spectroscopy (ICP-OES), which revealed a higher Ag ionization rate in the nanocomposite coating in comparison with the Ag coating. The surface of Ag/a-C and Ag coatings immersed in 0.9% NaCl were monitored by scanning electron microscopy (SEM) over a period of 24 h, being found that the Ag ionization determined by ICP-OES was accompanied by an Ag nanoparticles coalescence and agglomeration in Ag/a-C coating.

Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

Science.gov (United States)

Mortazavi, Bohayra; Dianat, Arezoo; Rahaman, Obaidur; Cuniberti, Gianaurelio; Rabczuk, Timon

2016-10-01

Borophene, the boron atom analogue to graphene, being atomic thick have been just recently experimentally fabricated. In this work, we employ first-principles density functional theory calculations to investigate the interaction of Ca, Mg, Na or Li atoms with single-layer and free-standing borophene. We first identified the most stable binding sites and their corresponding binding energies as well and then we gradually increased the ions concentration. Our calculations predict strong binding energies of around 4.03 eV, 2.09 eV, 2.92 eV and 3.28 eV between the borophene substrate and Ca, Mg, Na or Li ions, respectively. We found that the binding energy generally decreases by increasing the ions content. Using the Bader charge analysis, we evaluate the charge transfer between the adatoms and the borophene sheet. Our investigation proposes the borophene as a 2D material with a remarkably high capacity of around 800 mA h/g, 1960 mA h/g, 1380 mA h/g and 1720 mA h/g for Ca, Mg, Na or Li ions storage, respectively. This study can be useful for the possible application of borophene for the rechargeable ion batteries.

Crystallization behavior of (1 - x)Li2O.xNa2O.Al2O3.4SiO2 glasses

International Nuclear Information System (INIS)

Wang, Moo-Chin; Cheng, Chih-Wei; Chang, Kuo-Ming; Hsi, Chi-Shiung

2010-01-01

The crystallization behavior of the (1 - x)Li 2 O.xNa 2 O.Al 2 O 3 .4SiO 2 glasses has been investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron diffraction (ED) and energy dispersive spectroscopy (EDS). The crystalline phase was composed of β-spodumene. The isothermal crystallization kinetics of β-spodumene from the (1 - x)Li 2 O.xNa 2 O.Al 2 O 3 .4SiO 2 glasses has also been studied by a quantitative X-ray diffraction method. The activation energy of β-spodumene formation decreases from 359.2 to 317.8 kJ/mol when the Na 2 O content increases from 0 to 0.4 mol and it increases from 317.8 to 376.9 kJ/mol when the Na 2 O content increases from 0.4 to 0.6 mol. The surface nucleation and plate-like growth were dominant in the crystallization of the (1 - x)Li 2 O.xNa 2 O.Al 2 O 3 .4SiO 2 glasses.

Pressure-composition isotherms and thermodynamic properties of TiF3-enhanced Na2LiAlH6

International Nuclear Information System (INIS)

Fossdal, A.; Brinks, H.W.; Fonnelop, J.E.; Hauback, B.C.

2005-01-01

The mixed alanate Na 2 LiAlH 6 was prepared by ball-milling and subsequent heat-treatment under H 2 pressure. After the synthesis, 2 mol% TiF 3 was added by ball-milling. Pressure-composition isotherms were measured for the Ti-enhanced material in the temperature range of 170-250 deg C. A van't Hoff plot was constructed using the equilibrium desorption plateau pressures. From this plot, a dissociation enthalpy of 56.4 ± 0.4 kJ/mol H 2 and a corresponding entropy of 137.9 ± 0.7 J/K mol H 2 was found for Na 2 LiAlH 6

{sup 6}LiF:ZnS(Ag) Neutrons Scintillator Detector Configuration for Optimal Readout

Energy Technology Data Exchange (ETDEWEB)

Osovizky, A. [NIST Center for Neutron Research, Gaithersburg, Maryland (United States); Rotem Industries Ltd, Rotem Industrial Park (Israel); University of Maryland, College park, Maryland (United States); Yehuda-Zada, Y.; Ghelman, M.; Tsai, P.; Thompson, A.K. [Nuclear Research Center Negev, Beer-Sheva (Israel); Pritchard, K.; Ziegler, J.B.; Ibberson, R.M.; Majkrzak, C.F.; Maliszewskyj, N.C. [NIST Center for Neutron Research, Gaithersburg, Maryland (United States)

2015-07-01

A Chromatic Analysis Neutron Diffractometer Or Reflectometer (CANDOR) is under development at the NIST Center for Neutron Research (NCNR). The CANDOR neutron sensor will rely on scintillator material for detecting the neutrons scattered by the sample under test. It consists of {sup 6}LiF:ZnS(Ag) scintillator material into which wavelength shifting (WLS) fibers have been embedded. Solid state photo-sensors (silicon photomultipliers) coupled to the WLS fibers are used to detect the light produced by the neutron capture event ({sup 6}Li (n,α) {sup 3}H reaction) and ionization of the ZnS(Ag). This detector configuration has the potential to accomplish the CANDOR performance requirements for efficiency of 90% for 5 A (3.35 meV) neutrons with high gamma rejection (10{sup 7}) along with compact design, affordable cost and materials availability. However this novel design includes challenges for precise neutron detection. The recognizing of the neutron signature versus the noise event produce by gamma event cannot be easy overcome by pulse height discrimination obstacle as can be achieved with {sup 3}He gas tube. Furthermore the selection of silicon photomultipliers (SiPM) as the light sensor maintains the obstacle of dark noise that does not exist when a photomultiplier tube is coupled to the scintillator. A proper selection of SiPM should focus on increasing the output signal and reducing the dark noise in order to optimize the detection sensitivity and to provide a clean signal pulse shape discrimination. The main parameters for evaluation are: - Quantum Efficiency (QE) - matching the SiPM peak QE with the peak transmission wavelength emission of the WLS. - Recovery time - a short recovery time is preferred to minimize the pulse width beyond the intrinsic decay time of the scintillator crystal (improves the gamma rejection based output pulse shape (time)). - Diode dimensions -The dark noise is proportional to the diode active area while the signal is provided by the

Preparation and electrochemical performance of AgxLi1-xV3O8

International Nuclear Information System (INIS)

Sun Junli; Jiao Lifang; Yuan Huatang; Liu Li; Wei Xin; Miao Yanli; Yang Lin; Wang Yongmei

2009-01-01

We report here the preparation of Ag-doped LiV 3 O 8 for use as a cathode material in rechargeable lithium ion batteries. Synthesis was carried out by sol-gel methods and low temperature calcination using V 2 O 5 wet gel, LiOH.H 2 O, and AgNO 3 as raw materials. The product was characterized by X-ray diffraction (XRD), and its electrochemical behavior as a cathode material was studied by galvanostatic charge-discharge, cyclic voltammetry, and ac impedance techniques. The experimental results show that Ag-doped LiV 3 O 8 cathodes have greater initial discharge capacity than undoped cathode. And those Ag-doped LiV 3 O 8 electrodes, especially Ag 0.04 Li 0.96 V 3 O 8 , show the best long-life cycling performance. All of the doped powders show better stability at the 2.6 V plateau efficiency, due to their more stable cell impedance

Double molybdates in Li2MoO4 - Na2MoO4 - H2O system at 25 grad C

International Nuclear Information System (INIS)

Karov, Z.G.; Mirzoev, R.S.; Makitova, D.D.; Zhilova, S.B.; Podnek, A.G.; Urusova, R.Kh.

1989-01-01

Solubility in Li 2 MoO 4 - Na 2 MoO 4 - H 2 O system at 25 deg C is first stuied. Formation of two Li 2 MoO 4 · Na 2 MoO 4 · 4H 2 O and Li 2 MoO 4 · 3Na 2 MoO 4 · 12H 2 O compounds in a system is ascertained. Density, refractive index, viscosity, surface tension, electric conductivity and pH of saturated solutions are determined. Isothermes of mole volume, equivalent and reduced electric conductivity and seeming mole volume of salts sum in solutions are calculated. All these properties adequtely confirm the character of components interaction in a system determined by solubility method. Crystallhydrates of binary molybdates are separated, indentified and studied

Calculation of vibrational spectra of complex hydrides, LiBeH/sub 3/, NaBeH/sub 3/ and LiMgH/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Sukhanov, L P; Boldyrev, A I [AN SSSR, Chernogolovka. Inst. Novykh Khimicheskikh Problem

1984-03-01

The non-empirical Hartree-Fock-Ruthan method with a two-exponent Ros-Zigban basis has been used to calculate the coefficients of harmonic force field, frequency and intensity of normal vibrations of the LiBeH/sub 3/, NaBeH/sub 3/ and LiMgH/sub 3/ complex hydrides. Attribution of vibrational types is conducted. Isotope shifts for different isotope substitutions in the L(MH/sub 3/) are calculated. The effect of the nature of both the outer-spherical cation L/sup +/ and central atom M on the vibrational spectrum is discussed.

TL and OSL studies on lithium borate single crystals doped with Cu and Ag

International Nuclear Information System (INIS)

Rawat, N.S.; Kulkarni, M.S.; Tyagi, M.; Ratna, P.; Mishra, D.R.; Singh, S.G.; Tiwari, B.; Soni, A.; Gadkari, S.C.; Gupta, S.K.

2012-01-01

Lithium borate (LBO) single crystals doped with Cu and Ag (0.25 mol% each) (Li 2 B 4 O 7 :Cu,Ag) are grown by the Czochralski method. The thermoluminescence readout on Li 2 B 4 O 7 :Cu,Ag crystals showed three glow peaks at∼375, 441 and 516 K for the heating rate of 1 K/s. The thermoluminescence sensitivity of the grown Li 2 B 4 O 7 :Cu,Ag single crystals is found to be 5 times TLD-100 and a linear dose response in the range 1 mGy to 1 kGy. The glow curve deconvolution reveals nearly first order kinetics for all the three peaks with trap depths 0.77, 1.25 and 1.34 eV respectively and corresponding frequency factors 1.6×10 9 , 1.3×10 13 and 6.8×10 11 s −1 . The continuous wave optically stimulated luminescence (CW-OSL) measurements were performed on the LBO:Cu,Ag single crystals using blue light stimulation. The traps responsible for the three thermoluminescence peaks in Li 2 B 4 O 7 :Cu,Ag are found to be OSL sensitive. The qualitative correlation between TL peaks and CW-OSL response is established. The photoluminescence studies show that in case of co-doping of Ag in LBO:Cu the emission at 370 nm in Cu states dominates over the transitions in Ag states implying doping of Ag plays a role as sensitizer when co-doped with Cu and increases overall emission. - Highlights: ► Growth of crack free single crystals of Li2B4O7 :Cu and Ag. ► Study of TL and OSL parameters for Li2B4O7 :Cu and Ag. ► Correlation of OSL with TL peaks. ► Optimization of OSL readout time with respect to residual TL.

Synthesis and structure of Na-Li-Si-Al-P-O-N glasses prepared by melt nitridation using NH3

International Nuclear Information System (INIS)

Kidar, A.; Pomeroy, M.J.; Hampshire, S.; Mercier, C.; Leriche, A.; Revel, B.

2012-01-01

Na-Li-Si-Al-P-O-N glasses have been prepared by nitridation of a pre-synthesized Na 2 O-Li 2 O-SiO 2 -P 2 O 5 -Al 2 O 3 glass under anhydrous ammonia. Nitrogen for oxygen substitution increases the network connectivity leading to increases in microhardness and glass transition temperature. Raman and 31 P MAS-NMR spectroscopy indicate sequential nitridation reactions forming PO 3 N and PO 2 N 2 species. The data collected so far show no evidence of N/O substitutions in the silicate sub-network. (authors)

Ionic ASi{sub 2}N{sub 3} (A=Li, Na, K and Rb) stabilized by the covalent Si–N bonding: First-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Zhang, Huijun [College of Information Science and Engineering, Yanshan University, Qinhuangdao 066004 (China); Ren, Jiadong, E-mail: jdren@ysu.edu.cn [College of Information Science and Engineering, Yanshan University, Qinhuangdao 066004 (China); Wu, Lailei [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China); Zhang, Jingwu, E-mail: zjw@ysu.edu.cn [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China)

2017-01-15

The structural, elastic and electronic properties of LiSi{sub 2}N{sub 3} and its substitutions by Na, K and Rb were investigated through first-principles computations. The expansion of lattice parameters of ASi{sub 2}N{sub 3} from Li, Na, K to Rb is found to be determined by the bond angle of Si–N1–Si, which suggests a possible way to improve the lithium ionic conductivity by substitutions. ASi{sub 2}N{sub 3} (A=Li, Na, K and Rb) shows the similar elastic behaviors, while the electronic band gap gradually decreases from 5.1 to 3.4 eV from LiSi{sub 2}N{sub 3} to RbSi{sub 2}N{sub 3}. Interestingly, the analysis of electronic structure, crystal orbital Hamiltonian populations and Bader charges shows that the covalence of Si–N bonding is critical for the stability of ASi{sub 2}N{sub 3} phase. Among ASi{sub 2}N{sub 3} phases, there is a relatively high ionicity in NaSi{sub 2}N{sub 3}; the Si–N bond strength in [Si{sub 2}N{sub 3}]{sup −} net for KSi{sub 2}N{sub 3} and RbSi{sub 2}N{sub 3} is comparable to LiSi{sub 2}N{sub 3}, but stronger than NaSi{sub 2}N{sub 3}. - Graphic abstract: Universal trend of structural and electronic properties in alkaline metal silicon nitrides, ASi{sub 2}N{sub 3}, A=Li, Na, K and Rb. - Highlights: • Trend in structure, electronic and mechanical properties of ASi{sub 2}N{sub 3} (A=Li-Rb) were predicted. • Lattice expansion of ASi{sub 2}N{sub 3} induced by the bond angle of Si–N1–Si was found. • Calculated band gap decreases from 5.1 to 3.4 eV from LiSi{sub 2}N{sub 3} to RbSi{sub 2}N{sub 3}. • Covalent Si–N bonding is critical for the stability of ASi{sub 2}N{sub 3}.

A comparative structural and electrochemical study of monoclinic Li3V2(PO4)3/C and rhombohedral Li2.5Na0.5V(2−2x/3)Nix(PO4)3/C

International Nuclear Information System (INIS)

Wang, Wenhui; Chen, Zhenyu; Zhang, Jiaolong; Dai, Changsong; Li, Jiajie; Ji, Dalong

2013-01-01

In order to synthesize pure derivative of rhombohedral Li 3 V 2 (PO 4 ) 3 (LVP), lithium-ion batteries materials Li 2.5 Na 0.5 V (2−2x/3) Ni x (PO 4 ) 3 /C (x = 0.03, 0.06, 0.09) and its control, monoclinic Li 3 V 2 (PO 4 ) 3 /C (LVP/C), were prepared by sol–gel method. The samples were investigated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) spectroscopy, scanning electron microscopy (SEM), Raman spectroscopy, and electrochemical methods. The XRD patterns of Li 2.5 Na 0.5 V (2−2x/3) Ni x (PO 4 ) 3 /C are in good agreement with that of rhombohedral LVP, which indicates that the Na + –Ni 2+ composite doping can change the structure of monoclinic LVP. All the composite doping samples displayed a single flat plateau at 3.7 V in the charge/discharge voltage profile, which is caused by transformation of multi-phase mechanism to single-phase mechanism. For Li 2.5 Na 0.5 V 1.98 Ni 0.03 (PO 4 ) 3 /C, a specific discharge capacity of 108 mAh g −1 was achieved at a 0.5 C charge rate and a 1 C discharge rate, and a 99.0% retention rate of the initial capacity was obtained after 50 cycles

Investigations into the fast ionic conductors γ-CuBr, Li2S, Na2S, Ba2NH, NaTaN2 and Li3HoCl6 by means of neutron scattering

International Nuclear Information System (INIS)

Altorfer, F.

1994-01-01

The main topic of this work was the investigation of ionic diffusion in solids by means of neutron scattering. Experiments were carried out on the antifluorites Li 2 S, Na 2 S and γ-CuBr (zinc-blende type) as well as on Barium-Nitride-Hydride Ba 2 NH, NaTaN 2 and Li 3 HoCl 6 which represent three-and two-dimensional ionic conductors, respectively. In the sulphur based antifluorites Li 2 S and Na 2 S the occupation of the interstitial empty cube site by cations occurs at elevated temperatures. The temperature-dependence of the diffusion process has been investigated by quasielastic, incoherent neutron scattering. The cations hop between their regular lattice sites and the interstitial empty cube site, whereas the sulphur ions vibrate in good approximation harmonically even at high temperatures. The jump vectors define a three-dimensional net of possible cation paths through the crystal. The analysis of quasielastic scattering experiments on a Li 2 S single crystal enabled us to determine the jump vectors and the jump rates 1/τ. The temperature dependence of the anharmonic contributions to the copper structure factor was the main point in our neutron diffraction experiments on γ-CuBr. It could be shown that the copper density function deviates strongly from the isotropic form with increasing temperature. Barium-Nitride-Hydride is one of the few documented H - -ionic conductors. The electronic part of the ds-conductivity is only 1/10000 of the ionic contribution. Since Ba 2 NH is a layer compound, where H - and N 3- layers alternate along the c-axis, the probability of jumps out of the plane is suppressed in favour of in plane jumps. This compound is therefore a model system in which two-dimensional diffusion can be studied and in fact the analysis of the quasielastic data proved that the H-diffusion is caused by jumps between regular H - lattice sites. (author) figs., tabs., refs

Nematic fluctuations in iron arsenides NaFeAs and LiFeAs probed by 75As NMR

Science.gov (United States)

Toyoda, Masayuki; Kobayashi, Yoshiaki; Itoh, Masayuki

2018-03-01

75As NMR measurements have been made on single crystals to study the nematic state in the iron arsenides NaFeAs, which undergoes a structural transition from a high-temperature (high-T ) tetragonal phase to a low-T orthorhombic phase at Ts=57 K and an antiferromagnetic transition at TN=42 K, and LiFeAs having a superconducting transition at Tc=18 K. We observe the in-plane anisotropy of the electric field gradient η even in the tetragonal phase of NaFeAs and LiFeAs, showing the local breaking of tetragonal C4 symmetry. Then, η is found to obey the Curie-Weiss (CW) law as well as in Ba (Fe1-xCox) 2As2 . The good agreement between η and the nematic susceptibility obtained by electronic Raman spectroscopy indicates that η is governed by the nematic susceptibility. From comparing η in NaFeAs and LiFeAs with η in Ba (Fe1-xCox) 2As2 , we discuss the carrier-doping dependence of the nematic susceptibility. The spin contribution to nematic susceptibility is also discussed from comparing the CW terms in η with the nuclear spin-lattice relaxation rate divided by temperature 1 /T1T . Finally, we discuss the nematic transition in the paramagnetic orthorhombic phase of NaFeAs from the in-plane anisotropy of 1 /T1T .

Accumulation of Cs, Sr into leaves and grain of winter wheat under act of N, Zn, Li, Na

International Nuclear Information System (INIS)

Grodzinsky, D.; Tkatchuk, K.; Zhmurko, N.; Bogdan, T.; Guralchuk, Zh.

1998-01-01

The experiments were carried out on cv Lutencens 7 winter wheat grown on grey forest soil. In order to study the influence of nitrogen on Cs and Sr accumulation, a background of P60 K60 added in autumn different doses of nitrogen (30, 60, 120 kg/ha) were applied in spring. The influence of micronutrients on Cs and Sr accumulation was studied by adding 3 kg/ha Zn and 2 kg/ha Li to the soil under ploughing on background of N60 P60 K60. Besides the foliar application with 0.05% Na 2 SO 4 was carried out. Cation content (Cs, Sn, Zn, Li, Na) in soil and plant organs was determined by atomic absorption spectrophotometry. The Cs, Sr content in control plant leaves made up 15.0 and 21.0 mg per g of dry matter at the early stages of plant development. As the plants aged, the content of those elements in the leaves decreased strongly (3-4 times). At early stages of plant development, nitrogen caused an 8.9-11% increase in the Cs content of the leaves. At the stages of heading to grain filling, the Cs content increase was only observed at a high nitrogen dose, whereas low nitrogen doses had no effected on Cs accumulation in leaves. In should be noted that nitrogen (N60 and N120) decreased the Cs content in grain by 32-33%. As for the Sr content of grain, this was 3 to 4-fold less than that of Cs. Nitrogen had no effected on the Sr content of grain. Zn and Li addition to soil as well as foliar nutrition with Na had a different effect on the Cs and Sr content of winter wheat leaves and grain. Addition of Li decreased the Cs and Sr content of old leaves by 13% and 25% respectively. Addition of Zn and Na decreased the Sr content of old leaves but had no effect on the Cs content. Zn, Na and Li reduced the Sr content in grain also, viz. by 16,11 and 7% respectively. Thus the research has demonstrated the possibility of regulating Cs and Sr accumulation in the above-ground organs of winter wheat plants

Atomic scattering in the diffraction limit: electron transfer in keV Li+-Na(3s, 3p) collisions

International Nuclear Information System (INIS)

Poel, M van der; Nielsen, C V; Rybaltover, M; Nielsen, S E; Machholm, M; Andersen, N

2002-01-01

We measure angle differential cross sections (DCS) in Li + + Na → Li + Na + electron transfer collisions in the 2.7-24 keV energy range. We do this with a newly constructed apparatus which combines the experimental technique of cold target recoil ion momentum spectroscopy with a laser-cooled target. This setup yields a momentum resolution of 0.12 au, an order of magnitude better angular resolution than previous measurements on this system. This enables us to clearly resolve Fraunhofer-type diffraction patterns in the angle DCS. In particular, the angular width of the ring structure is given by the ratio of the de Broglie wavelength λ dB = 150 fm at a velocity v = 0.20 au and the effective atomic diameter for electron capture 2R = 20 au. Parallel AO and MO semiclassical coupled-channel calculations of the Na(3s, 3p) → Li(2s, 2p) state-to-state collision amplitudes have been performed, and quantum scattering amplitudes are derived by the eikonal method. The resulting angle-differential electron transfer cross sections and their diffraction patterns agree with the experimental level-to-level results over most scattering angles in the energy range

Enhanced Lithium Ion Transport by Superionic Pathways Formed on the Surface of Two-dimensional Structured Li0.85Na0.15V3O8 for High-Performance Lithium Ion Batteries

International Nuclear Information System (INIS)

Lu, Xuena; Shang, Yu; Zhang, Sen; Deng, Chao

2015-01-01

Highlights: • Li 0.85 Na 0.15 V 3 O 8 nanosheet with superionic conductive layer was constructed. • Li x V 2 O 5 surface layer provides facile pathways for lithium migration. • Li x V 2 O 5 -Li 0.85 Na 0.15 V 3 O 8 composite displays good high rate capability. - Abstract: Poor ion transport and rate capability are the main challenges for LiV 3 O 8 as cathode material for lithium ion batteries. Here we report a novel strategy for enhancing lithium ion transport by building superionic pathways on the surface of Li 0.85 Na 0.15 V 3 O 8 nanosheet. The two-dimensional Li 0.85 Na 0.15 V 3 O 8 nanoparticle with an ion conductive layer of Li x V 2 O 5 on its surface is constructed by a modified sol–gel strategy with carefully controlled sodium incorporation and elements stoichiometry. Ultrathin Li x V 2 O 5 surface layer not only provides facile pathways for lithium migration, but also increases the structure stability during cycling. The Li x V 2 O 5 -Li 0.85 Na 0.15 V 3 O 8 composite displays good high rate capability of 172.3 mAh g −1 at 5C and excellent cycling stability of 98.9% over fifty cycles. This superior electrochemical property is attributed to the occupation of lithium site by Na + in LiV 3 O 8 host crystals and the surface superionic pathways of Li x V 2 O 5 phase. Therefore, the advantages of both high ion transport and the structure stabilization in present study put forward a new strategy for achieving high-performance LiV 3 O 8 electrode material with tailored nanoarchitecture

(Cu,C)Ba2Ca3Cu4Ox (LiF)y: addition of LiF—an effective way to synthesize overdoped superconductor

Science.gov (United States)

Badica, P.; Iyo, A.; Aldica, G.; Kito, H.; Crisan, A.; Tanaka, Y.

2004-03-01

(Cu,C)Ba2Ca3Cu4Ox superconductor with addition of y mol LiF has been synthesized by a high-pressure method. For the same synthesis conditions it was found that (almost) single-phase Cu, C-1234 samples can be synthesized for yLiF = 0-0.1 if the amount of z mol AgO oxidizer is increased linearly from zAgO = 0.45 to 0.73 and for yLiF = 0.1-0.2 if zAgO = 0.73 = constant. Transport measurements (rgr(T) and room-temperature Seebeck coefficient) have shown that these samples are overdoped: LiF is an effective addition for synthesis of overdoped Cu, C-1234 with a controlled level of carriers. LiF addition continuously decreases Tc. The critical point at yLiF = 0.1 is discussed as the solubility limit of LiF and/or the point where the doping mechanism changes. It is proposed that the reason is the reaction of extra Li with C and O to form Li2CO3, inducing a lower concentration of C in Cu, C-1234/LiF crystals, and at the same time a possible substitution of Li not only for the Cu site but also for the Ca site, resulting in formation of a higher amount of residual Ca0.828CuO2 (for yLiF>0.1). LiF induces the formation of a liquid phase and acts as a flux promoting the formation of Cu,C-12 (n-1)n with n \\ge 4 . LiF modifies to some degree the grain growth from a 3D to a 2D type (thinner platelike grains have been observed in the LiF added samples).

(Cu,C)Ba2Ca3Cu4Ox-(LiF)y: addition of LiF-an effective way to synthesize overdoped superconductor

International Nuclear Information System (INIS)

Badica, P; Iyo, A; Aldica, G; Kito, H; Crisan, A; Tanaka, Y

2004-01-01

(Cu,C)Ba 2 Ca 3 Cu 4 O x superconductor with addition of y mol LiF has been synthesized by a high-pressure method. For the same synthesis conditions it was found that (almost) single-phase Cu, C-1234 samples can be synthesized for y LiF = 0-0.1 if the amount of z mol AgO oxidizer is increased linearly from z AgO = 0.45 to 0.73 and for y LiF 0.1-0.2 if z AgO = 0.73 constant. Transport measurements (ρ(T) and room-temperature Seebeck coefficient) have shown that these samples are overdoped: LiF is an effective addition for synthesis of overdoped Cu, C-1234 with a controlled level of carriers. LiF addition continuously decreases T c . The critical point at y LiF = 0.1 is discussed as the solubility limit of LiF and/or the point where the doping mechanism changes. It is proposed that the reason is the reaction of extra Li with C and O to form Li 2 CO 3 , inducing a lower concentration of C in Cu, C-1234/LiF crystals, and at the same time a possible substitution of Li not only for the Cu site but also for the Ca site, resulting in formation of a higher amount of residual Ca 0.828 CuO 2 (for y LiF >0.1). LiF induces the formation of a liquid phase and acts as a flux promoting the formation of Cu,C-12 (n-1)n with n ≥ 4. LiF modifies to some degree the grain growth from a 3D to a 2D type (thinner platelike grains have been observed in the LiF added samples)

Bifunctional Ag@Pd-Ag Nanocubes for Highly Sensitive Monitoring of Catalytic Reactions by Surface-Enhanced Raman Spectroscopy.

Science.gov (United States)

Li, Jumei; Liu, Jingyue; Yang, Yin; Qin, Dong

2015-06-10

We report a route to the facile synthesis of Ag@Pd-Ag nanocubes by cotitrating Na2PdCl4 and AgNO3 into an aqueous suspension of Ag nanocubes at room temperature in the presence of ascorbic acid and poly(vinylpyrrolidone). With an increase in the total titration volume, we observed the codeposition of Pd and Ag atoms onto the edges, corners, and side faces of the Ag nanocubes in a site-by-site fashion. By maneuvering the Pd/Ag ratio, we could optimize the SERS and catalytic activities of the Ag@Pd-Ag nanocubes for in situ SERS monitoring of the Pd-catalyzed reduction of 4-nitrothiophenol by NaBH4.

Structural, morphological and optical properties of LiCo0.5Ni0.45Ag0.05O2 thin films

Science.gov (United States)

Haider, Adawiya J.; AL-Rsool, Rusul Abed; AL-Tabbakh, Ahmed A.; Al-Gebori, Abdul Nasser M.; Mohamed, Aliaa

2018-05-01

Pulsed Laser Deposition (PLD) method has been successfully used for the synthesized of nano-crystalline cathode m aterial LiCo0.5Ni0.45Ag0.05O2 (LCNAO) thin film. LCNAO Ferromagnetic using pulsed Nd-YAG laser with wavelength (λ = 532 nm) and duration (10 ns) and energy fluence (1.4 J/cm2) with different substrate temperature (100, 200, 300) ˚C and O2 pressure at 10 mbar. The structural, morphological and optical properties of the films were determined by X-ray Diffraction (XRD), Scan Electron Microscopy (SEM), Atomic Force microscope (AFM) and UV-VIS spectroscopy respectively. It is observed that partial layer to spinel transformation takes place during post annealing and the average particle size of the LiCo0.5Ni0.45Ag0.05O2 is found to be (1-12) nm from SEM measurement. Finally the optical properties of the thin films have been studied at different Substrate temperature. It found the energy gap decreases from 4.2 to 3.8 eV when the substrate's temperature increasing from 100° C into 300 °C of the LCNAO films. These mean that the optical quality of LCNAO films is improved due to the increase in crystalline size and reduction of defect sites.

Plasmon response in K, Na and Li clusters: systematics using the separable random-phase approximation with pseudo-Hamiltonians

International Nuclear Information System (INIS)

Kleinig, W.; Nesterenko, V.O.; Reinhard, P.-G.; Serra, Ll.

1998-01-01

The systematics of the plasmon response in spherical K, Na and Li clusters in a wide size region (8≤N≤440) is studied. We have considered two simplifying approximations whose validity has been established previously. First, a separable approach to the random-phase approximation is used. This involves an expansion of the residual interaction into a sum of separable terms until convergence is reached. Second, the electron-ion interaction is modelled by using the pseudo-Hamiltonian jellium model (MHJM) which includes nonlocal effects by means of realistic atomic pseudo-Hamiltonians. In cases where nonlocal effects are negligible the Structure Averaged Jellium Model (SAJM) has been used. Good agreement with available experimental data is achieved for K, Na (using the SAJM) and small Li clusters (invoking the PHJM). The trends for peak position and width are generally well reproduced, even up to details of the Landau fragmentation in several clusters. Less good agreement, however, is found for large Li clusters. This remains an open question

High-precision calculation of loosely bound states of LiPs+ and NaPs+

International Nuclear Information System (INIS)

Yamashita, Takuma; Kino, Yasushi

2015-01-01

A positronic alkali atom would be the first step to investigate behavior of a positronium(Ps) in an external field from atoms/molecules because the system can be regarded as a simple three-body system using model potentials reflecting electron orbitals of the ion core. In order to precisely determine binding energies and structures of positronic alkali atoms (LiPs + and NaPs + ), we improve the model potential so as to reproduce highly excited atomic energy levels of alkali atoms (Li and Na). The polarization potential included by the model potential is expanded in terms of Gaussian functions to finely determine a short range part of the potential which has been assumed to be a simple form. We find better reproducibility not only of atomic levels of the alkali atoms but also of the dipole polarizability of the core ion than previous works. We construct a model potential between a positron and an ion core based on the model potential between the valence electron and ion core. Binding energies associated with a dissociation of the alkali ion core and positronium, and interparticle distances are recalculated. Our results show slightly deeper bound than other previous studies. (paper)

Structure and properties during aging of an ultra-high strength Al-Cu-Li-Ag-Mg alloy

Science.gov (United States)

Gayle, Frank W.; Heubaum, Frank H.; Pickens, Joseph R.

1990-01-01

The structure and properties of the strengthening phases formed during aging in an Al-Cu-Li-Ag-Mg alloy (Weldalite 049) were elulcidated, by following the development of the microstructure by means of TEM. The results of observations showed that the Weldalite 049 alloy has a series of unusual and technologically useful combinations of mechanical properties in different aging conditions, such as natural aging without prior cold work to produce high strengths, a reversion temper of lower yield strength and unusually high ductility, a room temperature reaging of the reversion temper eventually leading to the original T4 hardness, and ultrahigh-strength T6 properties.

Diffusion phenomena of fluorine and cations in molten Li2BeF4, LiBeF3 and NaBeF3

International Nuclear Information System (INIS)

Ohno, Hideo

1984-03-01

Self-diffusion coefficients of fluorine and cations in molten LiF-BeF 2 and NaF-BeF 2 systems were summarized by the capillary reservoir technique. The diffusion coefficients and the activation energies of cations in these molten salts follow a similar behavior with those of cations in molten alkali halides. On the other hand, self-diffusion of fluorine have unusually high diffusion coefficients and activation energies. The characteristic diffusion phenomena of fluorine in these molten alkali fluoroberyllates are very similar to those of oxygen in molten CaO-SiO 2 and CaO-SiO 2 -Al 2 O 3 slag. The dynamical behavior of Li and F in molten Li 2 BeF 4 was also analyzed by NMR technique. According to both these experiments, most probable mechanism of characteristic diffusion of fluorine in these molten systems could be dissociation of F atom from complex anion and long distance diffusion. (author)

Effect of silver addition on the properties of combustion synthesized nanocrystalline LiCoO2

International Nuclear Information System (INIS)

Ghosh, Paromita; Mahanty, S.; Basu, R.N.

2008-01-01

Nanocrystalline (∼50 nm) LiCoO 2 powders containing 0-10 mol% of Ag have been prepared by combustion synthesis using citrate-nitrate combustion route. Thermal analyses show a sharp decomposition of the gel at ∼177 deg. C for pristine LiCoO 2 . With addition of silver, the decomposition becomes sluggish and it completes only above 430 deg. C. X-ray powder diffraction analyses show an increase in lattice parameter, c, with increasing Ag content suggesting the occupation of Ag within LiCoO 2 interlayer spacings. Transmission electron microscopy indicates diffusion of Ag into LiCoO 2 grains. It has been observed that adding 1.0 mol% silver increases the room temperature electrical conductivity by more than two orders of magnitude (1.5 x 10 -3 S cm -1 ). Galvanostatic charge-discharge profiles of coin cells fabricated with the synthesized powders show a two-fold enhancement in the discharge capacity for 1.0 mol% Ag-added LiCoO 2 cathode (140 mAh g -1 ) compared to that for pristine LiCoO 2 (70 mAh g -1 )

Thermal stability of LiNaR2F8 compounds (R=Ho-Lu, Y)

International Nuclear Information System (INIS)

Fedorov, P.P.; Medvedeva, L.V.; Bondareva, O.S.; Sobolev, B.P.

1990-01-01

Monoclinic pseudorhombic compound mentioned in the title are investigated. It is determined, that the compounds are stable within temperature narrow range: Ho - 575-693 degC, Er - 566-712deg C, Tm - 560-710 deg C, Yb - less than 685 deg C, Y - 580-712 deg C. Triangulation of LiF-NaF-YF 3 system is carried out

Vacancy formation energy of Li(H,D) and Na(H,D) systems

International Nuclear Information System (INIS)

Islam, A.K.M.A.

1993-06-01

Vacancy defect formation energy (Schottky defect) of lighter hydrides and deuterides of alkali metals are discussed with reference to conductivity measurements and the recent computer simulation calculations. An empirical relation with Debye temperature is found to yield values of Schottky defect formation energies of Li(H,D) systems in agreement with experiments. The relationship is also utilized to obtain the formation energies for Na(H,D) systems for which experimental values are available in the literature. (author). 37 refs, 1 fig., 1 tab

Superconducting instabilities and quasipartical interference in the LiFeAs and Co-doped NaFeAs iron-based superconductors

Energy Technology Data Exchange (ETDEWEB)

Altenfeld, Dustin; Ahn, Felix; Eremin, Ilya [Institut fuer Theoretische Physik III, Ruhr-Universitaet Bochum, D-44801 Bochum (Germany); Borisenko, Sergey [Leibniz-Institute for Solid State Research, IFW-Dresden, D-01171 Dresden (Germany)

2015-07-01

We analyze and compare the structure of the pairing interaction and superconducting gaps in LiFeAs and Co-doped NaFeAs by using the ten-orbital tight-binding model, derived from ab initio LDA calculations with hopping parameters extracted from the fit to ARPES experiments. We discuss the phase diagram and experimental probes to determine the structure of the superconducting gap in these systems with special emphasis on the quasiparticle interference, computed using the T-matrix approximation. In particular, we analyze how the superconducting state with opposite sign of the gaps on the two inner hole pockets in LiFeAs evolve upon changing the parameters towards NaFeAs compound.

Na1.25Ni1.25Fe1.75(PO4)3 nanoparticles as a janus electrode material for Li-ion batteries

Science.gov (United States)

Karegeya, Claude; Mahmoud, Abdelfattah; Hatert, Frédéric; Vertruyen, Bénédicte; Cloots, Rudi; Lippens, Pierre-Emmanuel; Boschini, Frédéric

2018-06-01

A solvothermal method was used to prepare Na1.25Ni1.25Fe1.75(PO4)3 nanoparticles, a new promising electrode material for lithium-ion batteries. The composition and the crystal structure were determined by 57Fe Mössbauer spectroscopy and powder X-ray diffraction Rietveld refinements and confirmed by magnetic measurements. The structural formula □0.75Na1.25Ni1.25Fe1.75(PO4)3 was obtained showing a significant amount of Na vacancies, which enhances Li diffusion. Na1.25Ni1.25Fe1.75(PO4)3 was used as negative and positive electrode material and shows excellent electrochemical performances. As negative electrode in the voltage range 0.03-3.5 V vs. Li+/Li, the first discharge at current density of 40 mA g-1 delivers a specific capacity of 1186 mAh g-1, which is almost three times its theoretical capacity (428 mAh g-1). Then, reversible capacity of 550 mAh g-1 was obtained at 50 mA g-1 with high rate capability (150 mAh g-1 at 500 mA g-1) and capacity retention of 350 cycles. As positive electrode material, specific capacities of about 145 and 99 mAh g-1 were delivered at current densities of 5 and 50 mA g-1, respectively, in the voltage range of 1.5-4.5 V vs. Li+/Li. In addition, we show that the use of solvothermal synthesis contributes to the synthesis of small sized particles leading to good electrochemical performances.

Group 1B organometallic chemistry XXIX. Synthetic and structural aspects of polynuclear arylcopperlithium compounds Ar4Cu2Li2 ('arylcuprates') and interaggregate exchange phenomena in Ar4Cu4/Ar4Li4/Ar4Cu2Li2 systems

NARCIS (Netherlands)

Koten, G. van; Noltes, J.G.

1979-01-01

The thermally stable arylmetal-IB-lithium compounds (2-Me{2}NCHZC{6}H{4}){4}M{2}Li{2} (M = Cu, Ag or Au; Z = H or Me) and (2-Me{2}NC{6}H{4}){4}M{2}Li{2} have been prepared by a 21 molar reaction of the aryllithium compounds with the corresponding metal-IB halide (Cu or Ag) or metal-lB halide

Orientation and alignment of the first excited p state in Li+He and Na+He scattering

International Nuclear Information System (INIS)

Archer, B.J.; Lane, N.F.; Kimura, M.

1990-01-01

Orientation and alignment parameters for the first excited p state of Li and Na in collisions with He through direct excitation from the ground state are studied theoretically in the energy region up to E c.m. =100 keV by using a quasi-one-electron theory. Scattering states are expanded in terms of molecular orbitals, which are calculated by using the pseudopotential method and include electron translation factors. The approach appears to work well for Li+He, giving good agreement for the 2p excitation probability and orientation. For alignment, the situation is less clear because of difficulty in experimental measurement. Two-electron effects and cascades from more highly excited states cause our description of Na+He collisions to be less satisfactory. However, agreement with the experimental 3p excitation probability and orientation parameters where all data are available is fairly good at lower energies (E c.m. 1.25 a.u.)

Li diffusion in NbSe/sub 2/ and Ag/sub 0.25/NbSe/sub 2/ single crystals

International Nuclear Information System (INIS)

Folinsbee, J.T.; Simpson, A.M.; Jericho, M.H.

1986-01-01

Measurements are reported of the diffusion of Lithium into NbSe/sub 2/ and into NbSe/sub 2/ preintercalated with silver. Diffusion parallel to the layers is found to be at least 2 orders of magnitude greater than perpendicular to the layers, but not to be greatly affected by the presence of intercalated silver. The activation energy for Li hopping in NbSe/sub 2/ is estimated to be 520 meV. The staging structure of Ag/sub x/NbSe/sub 2/ is also reported. These results have implications for the characterization of cathode materials in intercalation batteries

Density of Na2O-Li2O-SiO2-B2O3 Molten Slag at 1 803-1 873 K

Institute of Scientific and Technical Information of China (English)

XIAO Feng; FANG Liang

2004-01-01

The density of three kinds of molten slags was measured by modified sessile drop method at 1 803-1 873 K. The density of molten slag is found to decrease with increasing temperature. The temperature coefficients of Na2O-Li2O-SiO2 and Li2O-SiO2-B2O3 slag are smaller than that of Na2O-B2O3 slag. The molar volume of slags increases with increasing temperature.

AgSbSe2 and AgSb(S,Se)2 thin films for photovoltaic applications

International Nuclear Information System (INIS)

Garza, J.G.; Shaji, S.; Rodriguez, A.C.; Das Roy, T.K.; Krishnan, B.

2011-01-01

Silver antimony selenide (AgSbSe 2 ) thin films were prepared by heating sequentially deposited multilayers of antimony sulphide (Sb 2 S 3 ), silver selenide (Ag 2 Se), selenium (Se) and silver (Ag). Sb 2 S 3 thin film was prepared from a chemical bath containing SbCl 3 and Na 2 S 2 O 3 , Ag 2 Se from a solution containing AgNO 3 and Na 2 SeSO 3 and Se thin films from an acidified solution of Na 2 SeSO 3 , at room temperature on glass substrates. Ag thin film was deposited by thermal evaporation. The annealing temperature was 350 deg. C in vacuum (10 -3 Torr) for 1 h. X-ray diffraction analysis showed that the thin films formed were polycrystalline AgSbSe 2 or AgSb(S,Se) 2 depending on selenium content in the precursor films. Morphology and elemental analysis of these films were done using scanning electron microscopy and energy dispersive X-ray spectroscopy. Optical band gap was evaluated from the UV-visible absorption spectra of these films. Electrical characterizations were done using Hall effect and photocurrent measurements. A photovoltaic structure: glass/ITO/CdS/AgSbSe 2 /Al was formed, in which CdS was deposited by chemical bath deposition. J-V characteristics of this structure showed V oc = 435 mV and J sc = 0.08 mA/cm 2 under illumination using a tungsten halogen lamp. Preparation of a photovoltaic structure using AgSbSe 2 as an absorber material by a non-toxic selenization process is achieved.

Spin response in LiFeAs and NaFeAs iron-pnictides superconductors

Energy Technology Data Exchange (ETDEWEB)

Lochner, Felix; Ahn, Felix; Eremin, Ilya [Ruhr-Universitaet Bochum, Bochum (Germany)

2016-07-01

We analyze the spin susceptibility in LiFeAs and NaFeAs by using the ten-orbital tight-binding model that we fitted to the electronic band structure measured by recent ARPES experiments. We identify an effective five-band model for a weak k{sub z}-dependence. Besides we present the bare and RPA-susceptibility and its q{sub z} dependencies to study the magnetic instabilities and estimate the strength of intra-orbital and inter-orbital nesting.

Observation of superconductivity at 30∼46K in AxFe2Se2 (A = Li, Na, Ba, Sr, Ca, Yb, and Eu)

OpenAIRE

Ying, T. P.; Chen, X. L.; Wang, G.; Jin, S. F.; Zhou, T. T.; Lai, X. F.; Zhang, H.; Wang, W. Y.

2012-01-01

New iron selenide superconductors by intercalating smaller-sized alkali metals (Li, Na) and alkaline earths using high-temperature routes have been pursued ever since the discovery of superconductivity at about 30 K in KFe2Se2, but all have failed so far. Here we demonstrate that a series of superconductors with enhanced Tc=30~46 K can be obtained by intercalating metals, Li, Na, Ba, Sr, Ca, Yb, and Eu in between FeSe layers by the ammonothermal method at room temperature. Analysis on their p...

Pressure-composition isotherms and thermodynamic properties of TiF{sub 3}-enhanced Na{sub 2}LiAlH{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Fossdal, A. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway)]. E-mail: anita.fossdal@ife.no; Brinks, H.W. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway); Fonnelop, J.E. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway); Hauback, B.C. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway)

2005-07-19

The mixed alanate Na{sub 2}LiAlH{sub 6} was prepared by ball-milling and subsequent heat-treatment under H{sub 2} pressure. After the synthesis, 2 mol% TiF{sub 3} was added by ball-milling. Pressure-composition isotherms were measured for the Ti-enhanced material in the temperature range of 170-250 deg C. A van't Hoff plot was constructed using the equilibrium desorption plateau pressures. From this plot, a dissociation enthalpy of 56.4 {+-} 0.4 kJ/mol H{sub 2} and a corresponding entropy of 137.9 {+-} 0.7 J/K mol H{sub 2} was found for Na{sub 2}LiAlH{sub 6}.

Thioaluminogermanate M(AlS2)(GeS2)4 (M = Na, Ag, Cu): Synthesis, Crystal Structures, Characterization, Ion-Exchange and Solid-State 27Al and 23Na NMR Spectroscopy

KAUST Repository

Alahmary, Fatimah S.

2018-03-14

The new thioaluminogermanate Na(AlS2)(GeS2)4 (1) was successfully synthesized by a direct combination reaction. The compound crystallizes in the monoclinic space group P21/n (no. 14) with unit cell parameters a = 6.803(3) Å, b = 38.207(2) Å, c = 6.947(4) Å, and β = 119.17(3)°. The crystal structure is composed of a [(AlS2)(GeS2)4]− 3D polyanionic network, in which Al and Ge atoms share the atomic positions and Na cations occupy the channels and voids formed by the connection of (Ge/Al)S4 tetrahedra. The title compound shows a cation-exchange property with monovalent Ag+ and Cu+ ions at room temperature in solvent media, resulting in the formation of the isostructural compounds Ag(AlS2)(GeS2)4 (2) and Cu(AlS2)(GeS2)4 (3), respectively. The ion-exchange products Ag(AlS2)(GeS2)4 (2) and Cu(AlS2)(GeS2)4 (3) show higher air stability and narrower bandgap energies compared to those of the parent compound Na(AlS2)(GeS2)4 (1).

Thioaluminogermanate M(AlS2)(GeS2)4 (M = Na, Ag, Cu): Synthesis, Crystal Structures, Characterization, Ion-Exchange and Solid-State 27Al and 23Na NMR Spectroscopy

KAUST Repository

Alahmary, Fatimah S.; Davaasuren, Bambar; Emwas, Abdul-Hamid M.; Rothenberger, Alexander

2018-01-01

The new thioaluminogermanate Na(AlS2)(GeS2)4 (1) was successfully synthesized by a direct combination reaction. The compound crystallizes in the monoclinic space group P21/n (no. 14) with unit cell parameters a = 6.803(3) Å, b = 38.207(2) Å, c = 6.947(4) Å, and β = 119.17(3)°. The crystal structure is composed of a [(AlS2)(GeS2)4]− 3D polyanionic network, in which Al and Ge atoms share the atomic positions and Na cations occupy the channels and voids formed by the connection of (Ge/Al)S4 tetrahedra. The title compound shows a cation-exchange property with monovalent Ag+ and Cu+ ions at room temperature in solvent media, resulting in the formation of the isostructural compounds Ag(AlS2)(GeS2)4 (2) and Cu(AlS2)(GeS2)4 (3), respectively. The ion-exchange products Ag(AlS2)(GeS2)4 (2) and Cu(AlS2)(GeS2)4 (3) show higher air stability and narrower bandgap energies compared to those of the parent compound Na(AlS2)(GeS2)4 (1).

Structural and spectroscopic properties of MITh2(PO4)32 (M = Cu+, Ag+, Na+, K+)

International Nuclear Information System (INIS)

Arsalane, S.; Ziyad, M.

1996-01-01

Phosphates of general formulae M I Th 2 (PO 4 ) 3 where M = Cu + and Ag + were synthesized using sol-gel type methods and Cu + /Ag + ion exchange. Their structures were investigated by X-ray diffraction, FTIR, and 31 P MAS NMR spectroscopies. AgTh 2 (PO 4 ) 3 and NaTh 2 (PO 4 ) 3 were found to be isostructural. Their 31 P NMR spectra exhibit three resonances agreeing with the noncentrosymmetric space group Cc to which they belong. On the other hand, CuTh 2 (PO 4 ) 3 does not show a real crystallographic resemblance with the other M I Th 2 (PO 4 ) 3 phosphates of this family. Its 31 P NMR spectrum is similar to that of KTh 2 (PO 4 ) 3 and exhibits two sharp resonances in good agreement with the C2/c space group. Nevertheless, the [PO 4 ] groups in this phosphate are highly distorted because of the linear coordination of the Cu + copper ions

Silver-coated LiVPO4F composite with improved electrochemical performance as cathode material for lithium-ion batteries

Science.gov (United States)

Yang, Bo; Yang, Lin

2015-12-01

Nano-structured LiVPO4F/Ag composite cathode material has been successfully synthesized via a sol-gel route. The structural and physical properties, as well as the electrochemical performance of the material are compared with those of the pristine LiVPO4F. X-ray diffraction (XRD) and scanning electron microscopy (SEM) reveal that Ag particles are uniformly dispersed on the surface of LiVPO4F without destroying the crystal structure of the bulk material. An analysis of the electrochemical measurements show that the Ag-modified LiVPO4F material exhibits high discharge capacity, good cycle performance (108.5 mAh g-1 after 50th cycles at 0.1 C, 93% of initial discharge capacity) and excellent rate behavior (81.8 mAh g-1 for initial discharge capacity at 5 C). The electrochemical impedance spectroscopy (EIS) results reveal that the adding of Ag decreases the charge-transfer resistance (Rct) of LiVPO4F cathode. This study demonstrates that Ag-coating is a promising way to improve the electrochemical performance of the pristine LiVPO4F for lithium-ion batteries cathode material.

Neutron Signal and Noise Separation of the {sup 6}Li-ZnS(Ag) scintillator (BC702) Using Flash ADC

Energy Technology Data Exchange (ETDEWEB)

Shin, S. G.; Kye, Y. U. [POSTECH, Pohang (Korea, Republic of); Cho, M. H.; Namkung, W. [Pohang Accelerator Laboratory, Pohang (Korea, Republic of); Kim, G. N. [Kyungpook National Univ., Daegu (Korea, Republic of); Lee, M. W. [Dongnam Inst. of radiological and Medical Science, Daejeon (Korea, Republic of)

2013-10-15

This study will apply to nuclear data experiments and improve the quality of nuclear data measured at PNF. We also briefly discuss the future plan to apply our research to different kinds of neutron detectors. The parameters to separate the neutron signals and noises of the {sup 6}Li.ZnS(Ag) scintillator are determined through the upper processes. Three kinds of noise are determined by the parameters as shown in figure.5. The signals at the green (pedestal), red (gamma flash), and blue (gamma flash with big signal area) region are subtracted from the total amount of the counted signals. These algorithms will be applied to next neutron TOF experiments. Two additional neutron detectors will be introduced for neutron TOF experiment. These will measure the neutron flux to get the normalization factor. We will also conduct signal and noise separation of these neutron detectors. Neutron total cross-sections have been measured by using the time-of-flight (TOF) method at Pohang Neutron Facility (PNF). A {sup 6}Li.ZnS(Ag) scintillator BC702 from Bicron (Newbury, OH) with a diameter of 127 mm and a thickness of 6.35 mm mounted on an EMI-93090 photomultiplier was used as a detector for the neutron TOF spectrum measurement. This detector is sensitive to thermal and epithermal neutrons and insensitive to gamma radiation. However, it is required to more accurately separate neutron signal and noise. In the present work, we studied neutron signal and noise separation of the BC702 scintillator to measure the accurate neutron TOF data.

Thermoluminescence of LiNaSo4: TI after exposure to radiation doses from electrons of different energies

International Nuclear Information System (INIS)

El-Kolaly, M.A.

2002-01-01

Lithium sodium sulphate doped by rare impurities (LiNaSO 4 : TI) has been locally prepared. Its Thermoluminescence properties (TL) have been performed from room temperature up to 300 degree C. The used heating rate was 5 degree C/sec. The samples were irradiated by electrons of different energies (5, 7, 9 and 13 MeV.). These samples were exposed to different duration to attain different radiation doses. It has been observed that the glow curves are consisted of four glow peaks at 75, 125, 225 and 250 degree C respectively. The first peak showed a linear dependence with electron radiation doses and can be used in radiation measurement. The irradiated impurities LiNaSO 4 : TI with energies higher than 5 MeV showed no appreciable change in the TL peak height. The obtained results will explore the probability of using such system (double sulphates doped by rare earth impurities) in the field of radiation measurements

Site-Selective Carving and Co-Deposition: Transformation of Ag Nanocubes into Concave Nanocrystals Encased by Au-Ag Alloy Frames.

Science.gov (United States)

Ahn, Jaewan; Wang, Daniel; Ding, Yong; Zhang, Jiawei; Qin, Dong

2018-01-23

We report a facile synthesis of Ag nanocubes with concave side faces and Au-Ag alloy frames, namely Ag@Au-Ag concave nanocrystals, by titrating HAuCl 4 solution into an aqueous mixture of Ag nanocubes, ascorbic acid (H 2 Asc), NaOH, and cetyltrimethylammonium chloride (CTAC) at an initial pH of 11.6 under ambient conditions. Different from all previous studies involving poly(vinylpyrrolidine), the use of CTAC at a sufficiently high concentration plays an essential role in carving away Ag atoms from the side faces through galvanic replacement. Concurrent co-deposition of Au and Ag atoms via chemical reduction at orthogonal sites on the surface of Ag nanocubes leads to the generation of Ag@Au-Ag concave nanocrystals with well-defined and controllable structures. Specifically, in the presence of CTAC-derived Cl - ions, the titrated HAuCl 4 is maintained in the AuCl 4 - species, enabling its galvanic replacement with the Ag atoms located on the side faces of nanocubes. The released Ag + ions can be retained in the soluble form of AgCl 2 - by complexing with the Cl - ions. Both the AuCl 4 - and AgCl 2 - in the solution are then reduced by ascorbate monoanion, a product of the neutralization reaction between H 2 Asc and NaOH, to Au and Ag atoms for their preferential co-deposition onto the edges and corners of the Ag nanocubes. Compared with Ag nanocubes, the Ag@Au-Ag concave nanocrystals exhibit much stronger SERS activity at an excitation of 785 nm, making it feasible to monitor the Au-catalyzed reduction of 4-nitrothiophenol by NaBH 4 in situ. When the Ag cores are removed, the concave nanocrystals evolve into Au-Ag nanoframes with controllable ridge thicknesses.

Effects of the co-addition of LiSbO3-LiTaO3 on the densification of (Na1/2K1/2)NbO3 lead free ceramics by atmosphere sintering

International Nuclear Information System (INIS)

Jiang Na; Fang Bijun; Wu Jian; Du Qingbo

2011-01-01

Research highlights: → This manuscript shows a synthesis method that can easily obtain excellent lead-free samples, which is valuable for industrial production. → Pure phase perovskite 0.94(Na 1/2 K 1/2 )NbO 3 -0.03LiSbO 3 -0.03LiTaO 3 (0.94NKN-0.03LS-0.03LT) lead-free piezoelectric ceramics with high relative density, being 94.73%, and excellent integral electrical properties, piezoelectric constant d 33 being 228 pC/N, were prepared by atmosphere sintering method. Which can be attributed to the co-doping of LiSbO 3 -LiTaO 3 . - Abstract: Pure phase perovskite 0.94(Na 1/2 K 1/2 )NbO 3 -0.03LiSbO 3 -0.03LiTaO 3 (0.94NKN-0.03LS-0.03LT) lead-free piezoelectric ceramics were prepared by the conventional solid-state reaction method. Due to the co-addition of LiSbO 3 -LiTaO 3 , the 0.94NKN-0.03LS-0.03LT ceramics prepared by atmosphere sintering at 1040 deg. C exhibit high relative density, being 94.73%, and rather homogenous microstructure. X-ray diffraction (XRD) measurement confirmed that the sintered ceramics exhibit pure tetragonal perovskite structure. The 0.94NKN-0.03LS-0.03LT ceramics exhibit excellent integral electrical properties, in which the value of piezoelectric constant d 33 is 228 pC/N, the electromechanical coupling factors K p and K t are 0.220 and 0.230, respectively, the mechanical quality factor Q m is 32.19, and the remnant polarization P r is 23.06 μC/cm 2 . Such excellent electrical properties are considered as correlating with the high relative density of the synthesized ceramics induced by the co-doping of LiSbO 3 -LiTaO 3 .

Concentration dependence of physical properties of liquid NaF–LiF–NdF{sub 3} alloys

Energy Technology Data Exchange (ETDEWEB)

Bulavin, L. [Kyiv National Taras Shevchenko University, Faculty of Physics, 2 Glushkova Ave., 03022 Kyiv (Ukraine); Plevachuk, Yu., E-mail: plevachuk@mail.lviv.ua [Ivan Franko National University, Department of Metal Physics, 8 Kyrylo and Mephodiy Street, 79005 Lviv (Ukraine); Sklyarchuk, V. [Ivan Franko National University, Department of Metal Physics, 8 Kyrylo and Mephodiy Street, 79005 Lviv (Ukraine); Omelchuk, A.; Faidiuk, N.; Savchuk, R. [V.I. Vernadsky Institute of General and Inorganic Chemistry, 32/34 prosp. Akad. Palladina, 03680 Kyiv (Ukraine); Shtablavyy, I.; Vus, V. [Ivan Franko National University, Department of Metal Physics, 8 Kyrylo and Mephodiy Street, 79005 Lviv (Ukraine); Yakymovych, A. [Department of Inorganic Chemistry (Materials Chemistry), University of Vienna, Währinger Str. 42, A-1090 Vienna (Austria)

2014-04-01

Highlights: • Molten NaF–LiF–NdF{sub 3} eutectic and peritectic alloys can be used in liquid salt reactors. • A stepped dissociation exists well above melting in the both alloys. • Anomalous properties behaviour proves that a short-range order persists after melting. • Transformation of structure spread to a wide temperature range in the liquid phase. - Abstract: Experimental studies of viscosity, thermoelectric power and electrical conductivity of the ionic liquid alloys NaF–LiF–NdF{sub 3} were carried out in the wide temperature intervals above the melting points. Similar temperature dependences of these properties for different melt compositions have been revealed. The alloy composition has a significant influence on the interval of melt homogeneity and behaviour of the thermoelectric power temperature coefficient. It was found that a small shift from the peritectic to eutectic composition increases considerable the viscosity. A correlation between the structure and thermophysical properties has been analyzed. The results can be used in modelling a blanket for the liquid salt reactor.

Density and adiabatic compressibility of the immiscible molten AgBr+LiCl mixture

Energy Technology Data Exchange (ETDEWEB)

Stepanov, Victor P. [Russian Academy of Sciences, Yekaterinburg (Russian Federation). Inst. of High-Temperature Electrochemistry; Ural Federal Univ., Yekaterinburg (Russian Federation); Kulik, Nina P. [Russian Academy of Sciences, Yekaterinburg (Russian Federation). Inst. of High-Temperature Electrochemistry

2017-07-01

The adiabatic compressibility, β, of the immiscible liquid mixture 0.52 LiCl+0.48 AgBr (the top of the miscibility gap) was experimentally investigated in the temperature range from the melting point to the critical mixing temperature using the sound velocity values, u, measured by the pulse method, and the density quantities, ρ, which were determined using the hydrostatic weight procedure based on the relationship β = u{sup -2}ρ{sup -1}. It is shown that the coefficients of the temperature dependencies for the compressibility and density of the upper and lower equilibrium phases have opposite signs because of the superposition of the intensity of the thermal motion of the ions and the change in the composition of the phases. The differences, Δβ and Δρ, in the magnitudes of the compressibility and density for the equilibrium phases decrease with temperature elevation. The temperature dependencies of the compressibility and density difference are described using the empirical equations Δβ ∼ (T{sub c}-T){sup 0.438} and Δρ ∼ (T{sub c}-T){sup 0.439}.

Band gap modification and ferroelectric properties of Bi{sub 0.5}(Na,K){sub 0.5}TiO{sub 3}-based by Li substitution

Energy Technology Data Exchange (ETDEWEB)

Quan, Ngo Duc [Department of General Physics, School of Engineering Physics, Ha Noi University of Science and Technology, 1 Dai Co Viet road, Ha Noi (Viet Nam); International Training Institute for Materials Science, Hanoi University of Science and Technology, 1 Dai Co Viet road, Hanoi (Viet Nam); Hung, Vu Ngoc [International Training Institute for Materials Science, Hanoi University of Science and Technology, 1 Dai Co Viet road, Hanoi (Viet Nam); Quyet, Nguyen Van [Hanautech Co., Ltd., 832, Tamnip-dong, Yuseong-gu, Daejeon (Korea, Republic of); Chung, Hoang Vu [Institute of Materials Science, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet street, Hanoi (Viet Nam); Dung, Dang Duc, E-mail: dung.dangduc@hust.edu.vn [Department of General Physics, School of Engineering Physics, Ha Noi University of Science and Technology, 1 Dai Co Viet road, Ha Noi (Viet Nam)

2014-01-15

We report on the reduction of band gap in Bi{sub 0.5}(Na{sub 0.82-x}Li{sub x}K{sub 0.18}){sub 0.5}(Ti{sub 0.95}Sn{sub 0.05})O{sub 3} from 2.99 eV to 2.84 eV due to the substitutions of Li{sup +} ions to Na{sup +} sites. In addition, the lithium substitution samples exhibit an increasing of the maximal polarizations from 21.8 to 25.7 μC/cm{sup 2}. The polarization enhancement of ferroelectric and reduction of the band gaps are strongly related to the Li substitution concentration as evaluated via the electronegative between A-site and oxygen and tolerance factor. The results are promising for photovoltaic and photocatalytic applications.

Excitation functions and isomeric ratios for the isomeric pair sup(106m)Ag and sup(106g)Ag in the 107Ag (d,t) reaction

International Nuclear Information System (INIS)

Lalli, M.E.; Wasilevsky de Lammirato, C.; Herreros, O.R.; Nassiff, S.J.

1976-09-01

Excitation functions and isomeric cross section ratios have been measured for the 107 Ag (d,t), reaction in which the isomeric pair sup(106m/106g)Ag is produced. Thick-target yields have been determined for different irradiation times and as a function of deuteron energy. Stacked silver foils with aluminium foils as monitors were bombarded with deuterons up to 27 MeV and the activities of products measured with a calibrated Ge(Li) counter. (author) [es

Estudo dos efeitos do LiNO3 na reação Álcali-Sílica e comparação com os efeitos da cinza volante na reação

Directory of Open Access Journals (Sweden)

D. J. F. Silva

Full Text Available Várias pesquisas realizadas com compostos a base de lítio tem mostrado resultados satisfatórios na redução da expansão associada à reação álcali-sílica (RAS, mas ainda existem muitas dúvidas sobre seus mecanismos de ação. A presente pesquisa avaliou os efeitos de uma adição química a base de nitrato de lítio (LiNO 3, utilizando várias dosagens, com o objetivo de entender seus mecanismos de ação sobre a expansão associada a RAS. O estudo dos efeitos do LiNO3 na RAS foi feito pelo método acelerado das barras de argamassa (ASTM C-1260, utilizando dois tipos de agregado reativo, levando o ensaio até 30 dias. Foram moldadas também barras de argamassa com uma adição mineral a base de cinza volante com o objetivo de comparar os efeitos de uma adição mineral com uma química na expansão devido a RAS. Os resultados do en- saio da ASTM C-1260 indicaram que as adições de lítio foram efetivas na redução da expansão, mas apresentaram valores de adição diferentes para o limite aceitável de 0.10% aos 14 dias para cada tipo de agregado. Foi observado também que as misturas contendo LiNO3 reduziram a expansão ao longo dos 30 dias, enquanto nas misturas contendo cinza volante a expansão continuou a aumentar ao longo do teste. O ensaio indicou que as dosagens de adição do lítio (Li2O/Na2Oeq eficazes na redução da expansão foram muito elevado em relação aos encontrados na literatura, mostrando que segundo Folliard et al. (2003, o uso de cimento com elevado teor de álcalis (Na2Oeq= 0.9 ± 1.0% e a modificação da ASTM C-1260, seria a melhor solução para obter valores de adição de lítio compatíveis com o de uso em campo.

Band gap modification and ferroelectric properties of Bi0.5(Na,K0.5TiO3-based by Li substitution

Directory of Open Access Journals (Sweden)

Ngo Duc Quan

2014-01-01

Full Text Available We report on the reduction of band gap in Bi0.5(Na0.82-xLixK0.180.5(Ti0.95Sn0.05O3 from 2.99 eV to 2.84 eV due to the substitutions of Li+ ions to Na+ sites. In addition, the lithium substitution samples exhibit an increasing of the maximal polarizations from 21.8 to 25.7 μC/cm2. The polarization enhancement of ferroelectric and reduction of the band gaps are strongly related to the Li substitution concentration as evaluated via the electronegative between A-site and oxygen and tolerance factor. The results are promising for photovoltaic and photocatalytic applications.

Direct preparation of Al-base alloys from their oxides/metal precursors in the eutectic LiCl–KCl melt

International Nuclear Information System (INIS)

Gao, Bingliang; Zhu, Hao; Xia, Yuxiang; Shi, Zhongning; Hu, Xianwei; Wang, Zhaowen

2016-01-01

A study was carried out on the preparation of Al–Cu–Li alloy from their oxides/metal precursors using the method of electro-deoxidation in the eutectic LiCl–KCl melt at 648 K. Cyclic voltammetry was used to characterize the system. The samples were prepared by potentiostatic electrolysis at −1.0 V to −2.0 V (vs. Ag + /Ag) for 5 h. XRD analysis shows that Li 2 O is not electrochemically reduced to Li at −1.0 V (vs. Ag + /Ag) or more negative potential. During the preparation process of Al–Cu–Li alloy, lithium peroxide is formed as an intermediate compound. Al–Cu–Li alloy is chemically prepared through the reaction between aluminum and lithium peroxide by heating of Al–Cu–Li 2 O precursors in KCl–LiCl–LiF melt at 1023 K. Eelectro-deoxidation in LiCl–KCl melt can increase the lithium content in the final alloy product. Al–Mg and Al–Nd alloy were also prepared by using the same method from their mixture of aluminum and corresponding oxide, respectively. Al–Nd alloy can only be obtained at the temperature above 773 K. Al–Li alloy could not be obtained in eutectic CaCl 2 –LiCl melt because of formation of calcium aluminates. - Highlights: • Al–Cu–Li alloy was prepared using electrochemical deoxidation of Al–Cu–Li 2 O precursor in eutectic KCl–LiCl melt at 648 K. • Al–Nd alloy was successfully produced by the same method at 773 K. • CaCl 2 –LiCl melt is not a good choice for preparing Al–Li alloy because of formation of calcium aluminate.

Direct preparation of Al-base alloys from their oxides/metal precursors in the eutectic LiCl–KCl melt

Energy Technology Data Exchange (ETDEWEB)

Gao, Bingliang, E-mail: blgao@mail.neu.edu.cn; Zhu, Hao; Xia, Yuxiang; Shi, Zhongning; Hu, Xianwei; Wang, Zhaowen

2016-04-25

A study was carried out on the preparation of Al–Cu–Li alloy from their oxides/metal precursors using the method of electro-deoxidation in the eutectic LiCl–KCl melt at 648 K. Cyclic voltammetry was used to characterize the system. The samples were prepared by potentiostatic electrolysis at −1.0 V to −2.0 V (vs. Ag{sup +}/Ag) for 5 h. XRD analysis shows that Li{sub 2}O is not electrochemically reduced to Li at −1.0 V (vs. Ag{sup +}/Ag) or more negative potential. During the preparation process of Al–Cu–Li alloy, lithium peroxide is formed as an intermediate compound. Al–Cu–Li alloy is chemically prepared through the reaction between aluminum and lithium peroxide by heating of Al–Cu–Li{sub 2}O precursors in KCl–LiCl–LiF melt at 1023 K. Eelectro-deoxidation in LiCl–KCl melt can increase the lithium content in the final alloy product. Al–Mg and Al–Nd alloy were also prepared by using the same method from their mixture of aluminum and corresponding oxide, respectively. Al–Nd alloy can only be obtained at the temperature above 773 K. Al–Li alloy could not be obtained in eutectic CaCl{sub 2}–LiCl melt because of formation of calcium aluminates. - Highlights: • Al–Cu–Li alloy was prepared using electrochemical deoxidation of Al–Cu–Li{sub 2}O precursor in eutectic KCl–LiCl melt at 648 K. • Al–Nd alloy was successfully produced by the same method at 773 K. • CaCl{sub 2}–LiCl melt is not a good choice for preparing Al–Li alloy because of formation of calcium aluminate.

Crystallization behavior of (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses

Energy Technology Data Exchange (ETDEWEB)

Wang, Moo-Chin [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Cheng, Chih-Wei; Chang, Kuo-Ming [Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Hsi, Chi-Shiung, E-mail: chsi@nuu.edu.t [Department of Materials Science and Engineering, National United University, 1 Lien-Da, Kung-Ching Li, Miao-Li 36003, Taiwan (China)

2010-07-02

The crystallization behavior of the (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses has been investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron diffraction (ED) and energy dispersive spectroscopy (EDS). The crystalline phase was composed of {beta}-spodumene. The isothermal crystallization kinetics of {beta}-spodumene from the (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses has also been studied by a quantitative X-ray diffraction method. The activation energy of {beta}-spodumene formation decreases from 359.2 to 317.8 kJ/mol when the Na{sub 2}O content increases from 0 to 0.4 mol and it increases from 317.8 to 376.9 kJ/mol when the Na{sub 2}O content increases from 0.4 to 0.6 mol. The surface nucleation and plate-like growth were dominant in the crystallization of the (1 - x)Li{sub 2}O.xNa{sub 2}O.Al{sub 2}O{sub 3}.4SiO{sub 2} glasses.

Effect of growth in lithium on ouabain binding, Na-K-ATPase and Na and K transport in hela cells.

Science.gov (United States)

Boardman, L J; Hume, S P; Lamb, J F; Polson, J

1975-01-01

1. HeLa cells were grown for 24 hr in growth medium in which part of the Na was replaced with Li. Ion contents, cell volumes and numbers, Na-K-ATPase and specific ouabain binding were measured. In some experiments the Na efflux and net Na transport was also measured. 2. Growth in Li caused a rise in the specific ouabain binding and membrane Na-K-ATPase of these cells. The Li concentrations in the cells necessary to produce this effect ranged up to 50 mM. 3. It is suggested that Li, like Na, acts on the genetic material of the cells to cause the production of more Na pumps within the membrane. PMID:124350

Study on lithium extraction from brines based on LiMn2O4/Li1-xMn2O4 by electrochemical method

International Nuclear Information System (INIS)

Zhao, Meng-Yao; Ji, Zhi-Yong; Zhang, Yong-Guang; Guo, Zhi-Yuan; Zhao, Ying-Ying; Liu, Jie; Yuan, Jun-Sheng

2017-01-01

Highlights: •A recovery system with LiMn 2 O 4 /Li 1-x Mn 2 O 4 as electrodes was used to extract lithium. •The influence sequence of coexisting ions on lithium extraction was Mg 2+ > Na + > Ca 2+ > K + . •The values of α Li-Na , α Li-Mg and α Li-Ca were more than 300, 70 and 110, respectively. •The specific energy consumption was between 18 and 19 W h·mol −1 . -- Abstract: Lithium rechargeable batteries have been used for lithium extraction in recent years. Here, we report on a highly selective lithium recovery system that consists of a LiMn 2 O 4 positive electrode, a Li 1-x Mn 2 O 4 negative electrode and a monovalent selective anion-exchange membrane. The effect of potential, temperature and coexisting ions on lithium extraction were investigated in this paper, and the lithium recovery system was applied to extract lithium from brine and concentrated seawater. The extraction capacity of Li + reached 34.31 mg· (1 g LiMn 2 O 4 ) −1 at 1.2 V. With higher reaction rate and lower energy consumption, 25 °C (room temperature) was considered as the appropriate temperature. The system still remained high selective for Li + even in the presence of impurity ions (K + , Na + , Mg 2+ , Ca 2+ ). With simulated brine and concentrated seawater as source solutions, the concentrations of Na + , Mg 2+ and Ca 2+ were reduced more than 300, 70 and 100 times, consuming 18–19 W h per mole of lithium recovered. And the electrodes still had high separation coefficients of Li + and Me n+ (Na + , Mg 2+ , Ca 2+ ) after five cycles although a slight drop was existing.

Partial exchange of the Li+, Na+ and K+ alkaline cations in the HNi(PO4).H2O layered compound

International Nuclear Information System (INIS)

Escobal, Jaione; Mesa, Jose; Pizarro, Jose; Bazan, Begona; Arriortua, Maria; Rojo, Teofilo

2006-01-01

The exchange of the Li + (1), Na + (2) and K + (3) alkaline cations in the layered HNi(PO 4 ).H 2 O was carried out starting from a methanolic solution containing the Li(OH).H 2 O hydroxide for (1) and the M(OH) (M=Na and K) hydroxides together with the (C 6 H 13 NH 2 ) 0.75 HNiPO 4 .H 2 O phases for (2) and (3). The compounds are stable until, approximately, 280 o C for (1) and 400 deg. C for phases (2) and (3), respectively. The IR spectra show the bands belonging to the water molecule and the (PO 4 ) 3- oxoanion. The diffuse reflectance spectra indicate the existence of Ni(II), d 8 , cations in slightly distorted octahedral geometry. The calculated Dq and Racah (B and C) parameters have a mean value of Dq=765, B=905 and C=3895cm -1 , respectively, in accordance with the values obtained habitually for this octahedral Ni(II) cation. The study of the exchange process performed by X-ray powder diffraction indicates that the exchange of the Li + cation in the lamellar HNi(PO 4 ).H 2 O phase is the minor rapid reaction, whereas the exchange of the Na + and K + cations needs the presence of the intermediate (C 6 H 13 NH 2 ) 0.75 HNiPO 4 .H 2 O intercalate in order to obtain the required product with the sodium and potassium ions. The Scanning electronic microscopy (SEM) images show a mean size of particle of 5μm. The Li + exchanged compound exhibits small ionic conductivity (Ωcm -1 is in the 10 -8 -10 -9 range) probably restrained by the methanol solvent. Magnetic measurements carried out from 5K to room temperature indicate antiferromagnetic coupling as the major interaction in the three phases. Notwithstanding the Li and K phases show a weak ferromagnetism at low temperatures

Influence of alternative cations distribution in AgxLi96-x-LSX on dehydration kinetics and its selective adsorption performance for N2 and O2

Science.gov (United States)

Panezai, Hamida; Sun, Jihong; Jin, Xiaoqi

2016-12-01

Adsorption characteristics of pure gases N2 and O2 on various silver exchanged low silica X-type (AgxLi96-x-LSX) zeolites were investigated. The equilibrium adsorption isotherms of N2 and O2 were measured at 273 and 298 K. Textual and structural properties of parent and resultant AgxLi96-x-LSX were characterized by XRD, BET surface area, and SEM techniques. Kinetics of their thermal dehydration were studied by exploiting thermogravimetric and differential data (TG-DTG) obtained at three heating rates (5, 10 and 15 K) using two model-free (Kissinger and Flynn-Wall-Ozawa) and one model fitting (Coats-Redfern) methods. Forty one mechanism functions were used to evaluate kinetic triplet (activation energy, frequency factor, and most probable mechanism/model) for different stages of dehydration. Results revealed that the impact of very small content of silver on the adsorption of N2 is pronounced and attributed to weak chemical bonds formed between N2 and Ag+ clusters due to strong adsorption of N2 at low pressure, whereas O2 adsorption is affected to a negligible extent. In addition, the N2/O2 adsorption selectivity shows unexpected low values for Ag87.08Li7.94Na0.98-LSX with higher Ag+ content (91.00 %), which might be due to low crystalline water content as well as Ag+ clusters located at SIII sites. N2 adsorption strongly depends on temperature as higher adsorption occurs at low temperature 273 K as compared to 298 K.

Na insertion into nanocrystalline Li4Ti5O12 spinel: An electrochemical study

Czech Academy of Sciences Publication Activity Database

Zukalová, Markéta; Pitňa Lásková, Barbora; Klementová, Mariana; Kavan, Ladislav

2017-01-01

Roč. 245, AUG 2017 (2017), s. 505-511 ISSN 0013-4686 R&D Projects: GA ČR GA15-06511S; GA MŠk LM2015087 Institutional support: RVO:61388955 ; RVO:68378271 Keywords : Na insertion * Li4Ti5O12 * nanocrystalline Subject RIV: CG - Electrochemistry; BM - Solid Matter Physics ; Magnetism (FZU-D) OBOR OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis); Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D) Impact factor: 4.798, year: 2016

Thermodynamic assessment of EuBr2 unary and LiBr-EuBr2 and NaBr-EuBr2 binary systems

International Nuclear Information System (INIS)

Gong, Weiping; Gaune-Escard, Marcelle

2009-01-01

As a basis for the design and development of molten salt mixtures, thermodynamic calculations of the phase diagrams and thermodynamic properties were carried out on the EuBr 2 unary and LiBr-EuBr 2 and NaBr-EuBr 2 binary systems over a wide temperature and composition range, respectively. The Gibbs energy of EuBr 2 was evaluated using an independent polynomial to fit the experimental heat capacity, the thermodynamic parameters for each phase in the LiBr-EuBr 2 and NaBr-EuBr 2 systems were optimized by using available experimental information on phase diagrams. A regular substitutional solution model for the liquid phase and Neumann-Kopp rule for the stoichiometric compound LiEu 2 Br 5 were adopted to reproduce the experimental data with reasonable excess Gibbs energy. Comparisons between the calculated phase diagrams and thermodynamic quantities show that all reliable experimental information is satisfactorily accounted for by the present thermodynamic description. Some thermodynamic properties were predicted to check the suitability of the present calculation.

Sodium storage capability of spinel Li4Mn5O12

International Nuclear Information System (INIS)

Zhang, Jiaolong; Wang, Wenhui; Li, Yingshun; Yu, Denis Y.W.

2015-01-01

Highlights: • Electrochemical behavior of spinel Li 4 Mn 5 O 12 is examined in Na-ion battery. • A capacity of 120.7 mAh g −1 is obtained during the first sodiation process. • Na storage performance is found to be strongly dependent on particle size. • Ion-exchange between Li ions and Na ions occurs in Li 4 Mn 5 O 12 structure upon cycling. • Loss of crystallinity with cycling, leading to capacity fading. - Abstract: Spinel Li 4 Mn 5 O 12 , a well-known 3 V Li-ion battery (LIB) material with excellent cycling stability and good rate capability, is examined as Na-ion battery (NIB) cathode for the first time. Electrochemical studies clearly show that Na ions can be reversibly inserted into and extracted from the three-dimensional spinel structure. However, unlike in LIB, the available capacity in NIB is strongly dependent on the particle size and current rate due to the sluggish Na-ion transport in solid phase. Cycle performance of Li 4 Mn 5 O 12 in NIB is also inferior to that in LIB. Ex-situ X-ray diffraction study indicates a gradual loss of crystallinity with cycling, and that the crystal lattice undergoes an irreversible expansion during the initial 20 cycles. Inductively coupled plasma spectroscopy shows a decrease of Li/Mn ratio in Li 4 Mn 5 O 12 with cycling. The results suggest that Li ions are removed from the material during the charging process. The charge-discharge mechanism is also discussed in the paper.

A Comparison of Modifications Induced by Li3+ and Ag14+ Ion Beam in Spectroscopic Properties of Bismuth Alumino-Borosilicate Glass Thin Films

Directory of Open Access Journals (Sweden)

Ravneet Kaur

2013-01-01

Full Text Available Ion irradiation effects on the glass network and structural units have been studied by irradiating borosilicate glass thin film samples with 50 MeV Li3+ and 180 MeV Ag14+ swift heavy ions (SHI at different fluence rates ranging from 1012 ions/cm2 to 1014 ions/cm2. Glass of the composition (65-x Bi2O3-10Al2O3-(65-y B2O3-25SiO2 (x = 45, 40; y = 20, 25 has been prepared by melt quench technique. To study the effects of ionizing radiation, the glass thin films have been prepared from these glasses and characterized using XRD, FTIR, and UV-Vis spectroscopic techniques. IR spectra are used to study the structural arrangements in the glass before and after irradiation. The values of optical band gap, Urbach energy, and refractive index have been calculated from the UV-Vis measurements. The variation in optical parameters with increasing Bi2O3 content has been analyzed and discussed in terms of changes occurring in the glass network. A comparative study of the influence of Li3+ ion beam on structural and optical properties of the either glass system with Ag14+ ion is done. The results have been explained in the light of the interaction that SHI undergo on entering the material.

In situ visualization of Li/Ag2VP2O8 batteries revealing rate-dependent discharge mechanism

Science.gov (United States)

Kirshenbaum, Kevin; Bock, David C.; Lee, Chia-Ying; Zhong, Zhong; Takeuchi, Kenneth J.; Marschilok, Amy C.; Takeuchi, Esther S.

2015-01-01

The functional capacity of a battery is observed to decrease, often quite dramatically, as discharge rate demands increase. These capacity losses have been attributed to limited ion access and low electrical conductivity, resulting in incomplete electrode use. A strategy to improve electronic conductivity is the design of bimetallic materials that generate a silver matrix in situ during cathode reduction. Ex situ x-ray absorption spectroscopy coupled with in situ energy-dispersive x-ray diffraction measurements on intact lithium/silver vanadium diphosphate (Li/Ag2VP2O8) electrochemical cells demonstrate that the metal center preferentially reduced and its location in the bimetallic cathode are rate-dependent, affecting cell impedance. This work illustrates that spatial imaging as a function of discharge rate can provide needed insights toward improving realizable capacity of bimetallic cathode systems.

AgSbSe{sub 2} and AgSb(S,Se){sub 2} thin films for photovoltaic applications

Energy Technology Data Exchange (ETDEWEB)

Garza, J.G. [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Shaji, S. [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Facultad de Ingenieria Mecanica y Electrica, CIIDIT - Universidad Autonoma de Nuevo Leon, Apodaca, Nuevo Leon (Mexico); Rodriguez, A.C.; Das Roy, T.K. [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Krishnan, B., E-mail: kbindu_k@yahoo.com [Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza, Nuevo Leon (Mexico); Facultad de Ingenieria Mecanica y Electrica, CIIDIT - Universidad Autonoma de Nuevo Leon, Apodaca, Nuevo Leon (Mexico)

2011-10-01

Silver antimony selenide (AgSbSe{sub 2}) thin films were prepared by heating sequentially deposited multilayers of antimony sulphide (Sb{sub 2}S{sub 3}), silver selenide (Ag{sub 2}Se), selenium (Se) and silver (Ag). Sb{sub 2}S{sub 3} thin film was prepared from a chemical bath containing SbCl{sub 3} and Na{sub 2}S{sub 2}O{sub 3}, Ag{sub 2}Se from a solution containing AgNO{sub 3} and Na{sub 2}SeSO{sub 3} and Se thin films from an acidified solution of Na{sub 2}SeSO{sub 3}, at room temperature on glass substrates. Ag thin film was deposited by thermal evaporation. The annealing temperature was 350 deg. C in vacuum (10{sup -3} Torr) for 1 h. X-ray diffraction analysis showed that the thin films formed were polycrystalline AgSbSe{sub 2} or AgSb(S,Se){sub 2} depending on selenium content in the precursor films. Morphology and elemental analysis of these films were done using scanning electron microscopy and energy dispersive X-ray spectroscopy. Optical band gap was evaluated from the UV-visible absorption spectra of these films. Electrical characterizations were done using Hall effect and photocurrent measurements. A photovoltaic structure: glass/ITO/CdS/AgSbSe{sub 2}/Al was formed, in which CdS was deposited by chemical bath deposition. J-V characteristics of this structure showed V{sub oc} = 435 mV and J{sub sc} = 0.08 mA/cm{sup 2} under illumination using a tungsten halogen lamp. Preparation of a photovoltaic structure using AgSbSe{sub 2} as an absorber material by a non-toxic selenization process is achieved.

Synthesis and thin film growth of alkaline cobaltates Na{sub x}CoO{sub 2} and Li{sub x}CoO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Hildebrandt, Sandra

2013-02-18

In this study sol-gel synthesis was used to fabricate Na{sub x}CoO{sub 2}, LiNi{sub 1/2}Co{sub 1/2}O{sub 2} and LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2}. By using acetate precursors a lower process temperature was accessible, which has a positive effect on the sodium and lithium loss during synthesis. The lithium based powders were single phase and kept cation stoichiometry after sintering. A small grain size is favourable for battery applications. Sodium content was slightly reduced after temperature treatment compared to the initial cation mixture, due to the high volatility of Na. To fabricate thin films PLD was used for deposition. All films were deposited on SrTiO{sub 3} substrates. The growth mechanism of Na{sub x}CoO{sub 2} on SrTiO{sub 3} was investigated and an in-plane and out-of-plane relation between film an substrate was found. The films grow 15 and 45 rotated with respect to the ab-plane of the substrate and grow in c-axis direction out-of-plane. The sodium content and the crystallinity of the Na{sub x}CoO{sub 2} was investigated as a function of the post deposition treatment. A change of x between 0.38 and 0.84 can be achieved. The γ-phase was preserved in all films despite of the change of the sodium content. The in-situ variation of sodium stoichiometry, allows to tune the film properties in a wide range. This feature is an advantage compared to bulk Na{sub x}CoO{sub 2}, in which only certain stoichiometries can be stabilized. Fabrication of superconducting thin films Na{sub 0.33}CoO{sub 2}.1.3H{sub 2}O was challenging, since the superconducting phase is metastable and hardly to stabilize as a thin film. LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} and LiNi{sub 1/2}Co{sub 1/2}O{sub 2} thin films were grown by PLD in (104)-orientation. These thin film materials are promising candidates as cathode materials for the development of thin film batteries.

Introducing a Hydrogen-Bond Donor into a Weakly Nucleophilic Brønsted Base: Alkali Metal Hexamethyldisilazides (MHMDS, M=Li, Na, K, Rb and Cs) with Ammonia.

Science.gov (United States)

Neufeld, Roman; Michel, Reent; Herbst-Irmer, Regine; Schöne, Ralf; Stalke, Dietmar

2016-08-22

Alkali metal 1,1,1,3,3,3-hexamethyldisilazide (MHMDSs) are one of the most utilised weakly nucleophilic Brønsted bases in synthetic chemistry and especially in natural product synthesis. Like lithium organics, they aggregate depending on the employed donor solvents. Thus, they show different reactivity and selectivity as a function of their aggregation and solvation state. To date, monomeric LiHMDS with monodentate donor bases was only characterised in solution. Since the first preparation of LiHMDS in 1959 by Wannagat and Niederprüm, all efforts to crystallise monomeric LiHMDS in the absence of chelating ligands failed. Herein, we present ammonia adducts of LiHMDS, NaHMDS, KHMDS, RbHMDS and CsHMDS with unprecedented aggregation motifs: 1) The hitherto missing monomeric key compound in the LiHMDS aggregation architectures. Monomeric crystal structures of trisolvated LiHMDS (1) and NaHMDS (2), showing unique intermolecular hydrogen bonds, 2) the unprecedented tetrasolvated KHMDS (3) and RbHMDS (4) dimers and 3) the disolvated CsHMDS (5) dimer with very close intermolecular Si-CH3 ⋅⋅⋅Cs s-block "agostic" interactions have been prepared and characterised by single-crystal X-ray structure analysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electrochemical studies on the redox behavior of zirconium in the LiF-NaF eutectic melt

Energy Technology Data Exchange (ETDEWEB)

Xu, Liang [School of Metallurgy, Northeastern University, Shenyang 110004 (China); Xiao, Yanping [School of Metallurgical Engineering, Anhui University of Technology, Ma' anshan 243002 (China); Zr-Hf-Ti Metallurgie B.V., Den Haag 2582 SB (Netherlands); Xu, Qian, E-mail: qianxu@shu.edu.cn [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Sandwijk, Anthonie van [Zr-Hf-Ti Metallurgie B.V., Den Haag 2582 SB (Netherlands); Zhao, Zhuo [School of Metallurgical Engineering, Anhui University of Technology, Ma' anshan 243002 (China); Song, Qiushi; Cai, Yanqing [School of Metallurgy, Northeastern University, Shenyang 110004 (China); Yang, Yongxiang [School of Metallurgical Engineering, Anhui University of Technology, Ma' anshan 243002 (China); Department of Materials Science and Engineering, Delft University of Technology, 2628 CD Delft (Netherlands)

2017-05-15

In the present paper, a detailed study of the redox behavior of zirconium in the eutectic LiF-NaF system was carried out on an inert molybdenum electrode at 750 °C. Several transient electrochemical methods were used such as cyclic voltammetry, square wave voltammetry, chronopotentiometry, and open circuit voltammetry. The reduction of Zr (IV) was found to follow a two-step mechanism of Zr (IV)/Zr (II) and Zr (II)/Zr at the potentials of about −1.10 and −1.50 V versus Pt, respectively. The theoretical evaluations of the number of transferred electrons according to both cyclic voltammetry and square wave voltammetry further confirmed the Zr reduction mechanism. The estimations of Zr (IV) diffusion coefficient in the LiF-NaF eutectic melt at 750 °C through cyclic voltammetry and chronopotentiometry are in fair agreement, as to be approximately 1.13E-5 and 2.42E-5 cm{sup 2}/s, respectively. - Highlights: •The redox mechanism of zirconium in a fluoride salt system was investigated. •A multi-step redox process of Zr was found with various electrochemical methods. •Perspectives on zirconium electro-refining process were proposed.

Characterization and antibacterial activity of silver exchanged regenerated NaY zeolite from surfactant-modified NaY zeolite

Energy Technology Data Exchange (ETDEWEB)

Salim, Mashitah Mad; Malek, Nik Ahmad Nizam Nik, E-mail: niknizam@fbb.utm.my

2016-02-01

The antibacterial activity of regenerated NaY zeolite (thermal treatment from cetyltrimethyl ammonium bromide (CTAB)-modified NaY zeolite and pretreatment with Na ions) loaded with silver ions were examined using the broth dilution minimum inhibitory concentration (MIC) method against Escherichia coli (E. coli ATCC 11229) and Staphylococcus aureus (S. aureus ATCC 6538). X-ray diffraction (XRD), attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and chemical elemental analyses were used to characterize the regenerated NaY and AgY zeolites. The XRD patterns indicated that the calcination and addition of silver ions on regenerated NaY zeolite did not affect the structure of the regenerated NaY zeolite as the characteristic peaks of the NaY zeolite were retained, and no new peaks were observed. The regenerated AgY zeolite showed good antibacterial activity against both bacteria strains in distilled water, and the antibacterial activity of the samples increased with increasing Ag loaded on the regenerated AgY zeolite; the regenerated AgY zeolite was more effective against E. coli than S. aureus. However, the antibacterial activity of the regenerated AgY was not effective in saline solution for both bacteria. The study showed that CTAB-modified NaY zeolite materials could be regenerated to NaY zeolite using thermal treatment (550 °C, 5 h) and this material has excellent performance as an antibacterial agent after silver ions loading. - Highlights: • Thermal treatment was used to regenerate surfactant modified zeolite. • The regenerated NaY zeolite formed was added with different silver loadings. • Regenerated AgY zeolite was tested for antibacterial activity on E. coli and S. aureus. • The antibacterial activity increased with increased of the amount of silver loadings. • The zeolite structure did not change with thermal and modification

Characterization and antibacterial activity of silver exchanged regenerated NaY zeolite from surfactant-modified NaY zeolite

International Nuclear Information System (INIS)

Salim, Mashitah Mad; Malek, Nik Ahmad Nizam Nik

2016-01-01

The antibacterial activity of regenerated NaY zeolite (thermal treatment from cetyltrimethyl ammonium bromide (CTAB)-modified NaY zeolite and pretreatment with Na ions) loaded with silver ions were examined using the broth dilution minimum inhibitory concentration (MIC) method against Escherichia coli (E. coli ATCC 11229) and Staphylococcus aureus (S. aureus ATCC 6538). X-ray diffraction (XRD), attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and chemical elemental analyses were used to characterize the regenerated NaY and AgY zeolites. The XRD patterns indicated that the calcination and addition of silver ions on regenerated NaY zeolite did not affect the structure of the regenerated NaY zeolite as the characteristic peaks of the NaY zeolite were retained, and no new peaks were observed. The regenerated AgY zeolite showed good antibacterial activity against both bacteria strains in distilled water, and the antibacterial activity of the samples increased with increasing Ag loaded on the regenerated AgY zeolite; the regenerated AgY zeolite was more effective against E. coli than S. aureus. However, the antibacterial activity of the regenerated AgY was not effective in saline solution for both bacteria. The study showed that CTAB-modified NaY zeolite materials could be regenerated to NaY zeolite using thermal treatment (550 °C, 5 h) and this material has excellent performance as an antibacterial agent after silver ions loading. - Highlights: • Thermal treatment was used to regenerate surfactant modified zeolite. • The regenerated NaY zeolite formed was added with different silver loadings. • Regenerated AgY zeolite was tested for antibacterial activity on E. coli and S. aureus. • The antibacterial activity increased with increased of the amount of silver loadings. • The zeolite structure did not change with thermal and modification

Thermodynamic properties and behaviour of A2[(UO2)(MoO4)2] compounds with A = Li, Na, K, Rb, and Cs

International Nuclear Information System (INIS)

Lelet, Maxim I.; Suleimanov, Evgeny V.; Golubev, Aleksey V.; Geiger, Charles A.; Depmeier, Wulf; Bosbach, Dirk; Alekseev, Evgeny V.

2014-01-01

Highlights: • Low temperature heat capacity of A 2 [(UO 2 )(MoO 4 ) 2 ] (A = Li, Na, K, Rb, and Cs) series was determined. • Enthalpy of formation of Li 2 [(UO 2 )(MoO 4 ) 2 ] was determined by HF solution calorimetry. • Δ f G° (T = 298 K) of all phases from studied series were calculated. - Abstract: A thermodynamic investigation of five alkali-metal uranyl molybdates of the general formula A 2 [(UO 2 )(MoO 4 ) 2 ], where A = Li, Na, K, Rb, and Cs, was undertaken. The various phases were synthesized by solid-state reaction of ANO 3, with A = Li, Na, K, Rb, or Cs, MoO 3 and γ-UO 3 . The synthetic products were characterized by X-ray powder diffraction and X-ray fluorescence methods. The low-temperature heat capacity, S r °, was measured using adiabatic calorimetry from T = (6 to 335) K. Based on these data, the third law entropy at T = 298.15 K, S°, is (345 ± 1) J · K −1 · mol −1 for Li 2 [(UO 2 )(MoO 4 ) 2 ], (373 ± 1) J · K −1 · mol −1 for Na 2 [(UO 2 )(MoO 4 ) 2 ], (390 ± 1) J · K −1 · mol −1 for K 2 [(UO 2 )(MoO 4 ) 2 ], (377 ± 1) J · K −1 · mol −1 for Rb 2 [(UO 2 )(MoO 4 ) 2 ] and (394 ± 1) J · K −1 · mol −1 for Cs 2 [(UO 2 )(MoO 4 ) 2 ]. The enthalpy of formation of Li 2 [(UO 2 )(MoO 4 ) 2 ] was determined using HF solution calorimetry giving Δ f H°(T = 298 K, Li 2 [(UO 2 )(MoO 4 ) 2 ], cr) = −(3456 ± 9) kJ · mol −1 . Using these new experimental results, together with literature data, the Gibbs free energy of formation of each compound was calculated, giving: Δ f G°(T = 298 K, Li 2 [(UO 2 )(MoO 4 ) 2 ], cr) = −(3204 ± 9) kJ · mol −1 , Δ f G°(T = 298 K, Na 2 [(UO 2 )(MoO 4 ) 2 ], cr) = −(3243 ± 2) kJ · mol −1 , Δ f G°(T = 298 K, K 2 [(UO 2 )(MoO 4 ) 2 ], cr) = −(3269 ± 3) kJ · mol −1 , Δ f G°(T = 298 K, Rb 2 [(UO 2 )(MoO 4 ) 2 ], cr) = −(3262 ± 3) kJ · mol −1 , and Δ f G°(T = 298 K, Cs 2 [(UO 2 )(MoO 4 ) 2 ], cr) = −(3259 ± 3) kJ · mol −1 . Smoothed S r °(T) values

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

Science.gov (United States)

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

2006-06-01

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

Use and imaging performance of CMOS flat panel imager with LiF/ZnS(Ag) and Gadox scintillation screens for neutron radiography

Science.gov (United States)

Cha, B. K.; kim, J. Y.; Kim, T. J.; Sim, C.; Cho, G.; Lee, D. H.; Seo, C.-W.; Jeon, S.; Huh, Y.

2011-01-01

In digital neutron radiography system, a thermal neutron imaging detector based on neutron-sensitive scintillating screens with CMOS(complementary metal oxide semiconductor) flat panel imager is introduced for non-destructive testing (NDT) application. Recently, large area CMOS APS (active-pixel sensor) in conjunction with scintillation films has been widely used in many digital X-ray imaging applications. Instead of typical imaging detectors such as image plates, cooled-CCD cameras and amorphous silicon flat panel detectors in combination with scintillation screens, we tried to apply a scintillator-based CMOS APS to neutron imaging detection systems for high resolution neutron radiography. In this work, two major Gd2O2S:Tb and 6LiF/ZnS:Ag scintillation screens with various thickness were fabricated by a screen printing method. These neutron converter screens consist of a dispersion of Gd2O2S:Tb and 6LiF/ZnS:Ag scintillating particles in acrylic binder. These scintillating screens coupled-CMOS flat panel imager with 25x50mm2 active area and 48μm pixel pitch was used for neutron radiography. Thermal neutron flux with 6x106n/cm2/s was utilized at the NRF facility of HANARO in KAERI. The neutron imaging characterization of the used detector was investigated in terms of relative light output, linearity and spatial resolution in detail. The experimental results of scintillating screen-based CMOS flat panel detectors demonstrate possibility of high sensitive and high spatial resolution imaging in neutron radiography system.

Effect of MnO doping on the structure, microstructure and electrical properties of the (K,Na,Li)(Nb,Ta,Sb)O3 lead-free piezoceramics

International Nuclear Information System (INIS)

Rubio-Marcos, F.; Marchet, P.; Vendrell, X.; Romero, J.J.; Remondiere, F.; Mestres, L.; Fernandez, J.F.

2011-01-01

Highlights: · MnO doping effects on structure and properties of (K,Na,Li)(Nb,Ta,Sb)O 3 piezoceramics. · The structure changes towards an orthorhombic symmetry for higher MnO concentrations. · High doping levels induce a tetragonal tungsten-bronze secondary phase. · Mn 2+ doping modifies the phase transition temperature and the piezoelectric properties. · Manganese doping increases the mechanical quality factor Q m . - Abstract: Mn 2+ -doped (K,Na,Li)(Nb,Ta,Sb)O 3 lead-free piezoelectric ceramics have been prepared by a conventional sintering technique. The effects of Mn 2+ doping on the phase structure, microstructure and ferro-piezoelectric properties of the ceramics have been evaluated. MnO doping modifies the (K,Na,Li)(Nb,Ta,Sb)O 3 structure, giving rise to the appearance of a TTB-like secondary phase and to changes on the orthorhombic to tetragonal phase transition temperature. The modification of this temperature induces a reduction of the piezoelectric constants, which is accompanied by an increase on the mechanical quality factor. Mn 2+ ions incorporate into the perovskite structure in different off ways depending on their concentration.

Characterization and antibacterial activity of silver exchanged regenerated NaY zeolite from surfactant-modified NaY zeolite.

Science.gov (United States)

Salim, Mashitah Mad; Malek, Nik Ahmad Nizam Nik

2016-02-01

The antibacterial activity of regenerated NaY zeolite (thermal treatment from cetyltrimethyl ammonium bromide (CTAB)-modified NaY zeolite and pretreatment with Na ions) loaded with silver ions were examined using the broth dilution minimum inhibitory concentration (MIC) method against Escherichia coli (E. coli ATCC 11229) and Staphylococcus aureus (S. aureus ATCC 6538). X-ray diffraction (XRD), attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and chemical elemental analyses were used to characterize the regenerated NaY and AgY zeolites. The XRD patterns indicated that the calcination and addition of silver ions on regenerated NaY zeolite did not affect the structure of the regenerated NaY zeolite as the characteristic peaks of the NaY zeolite were retained, and no new peaks were observed. The regenerated AgY zeolite showed good antibacterial activity against both bacteria strains in distilled water, and the antibacterial activity of the samples increased with increasing Ag loaded on the regenerated AgY zeolite; the regenerated AgY zeolite was more effective against E. coli than S. aureus. However, the antibacterial activity of the regenerated AgY was not effective in saline solution for both bacteria. The study showed that CTAB-modified NaY zeolite materials could be regenerated to NaY zeolite using thermal treatment (550°C, 5h) and this material has excellent performance as an antibacterial agent after silver ions loading. Copyright © 2015 Elsevier B.V. All rights reserved.

Laponite Na+0.7[(Si8Mg5.5Li0.3)O20(OH)4]–0.7

Indian Academy of Sciences (India)

Si8Mg5.5Li0.3)O20(OH)4]–0.7. Negative charges are counterbalanced by Na+ ions present in the interlayer. Electrostatic screening length at pH 10 ≈30 nm. Effective maximum volume increases by a factor of 60. Thus, for less than 1 volume ...

Vapor Pressure Measurements of LiBH4, NaBH 4 and Ca(BH4)2 using Knudsen Torsion Effusion Gravimetric Method

Science.gov (United States)

Danyan, Mohammad Masoumi

Hydrogen storage is one of the critical technologies needed on the path towards commercialization for mobile applications. In the past few years, a range of new light weight hydrogen containing material has been discovered with good storage properties. Among them, lithium borohydride (LiBH 4) sodium borohydride (NaBH4) and calcium borohydride (Ca(BH 4)2) have shown promising results to be used as solid state hydrogen storage material. In this work, we have determined equilibrium vapor pressures of LiBH 4 NaBH4 and Ca(BH4)2 obtained by Torsion effusion thermogravimetric method. Results for all the three hydrides exhibited that a small fraction of the materials showed congruency, and sublimed as gaseous compound, but the majority of the material showed incongruent vaporization. Two Knudsen cells of 0.3 and 0.6mm orifice size was employed to measure the total vapor pressures. A Whitman-Motzfeldt method is used to extrapolate the measured vapor pressures to zero orifice size to calculate the equilibrium vapor pressures. In the case of LiBH4 we found that 2% of the material evaporated congruently (LiBH4(s) → LiBH4(g)) according to the equation: logPLiBH4/P 0 =-3263.5 +/-309/T + (1.079 +/-0.69) and rest as incongruent vaporization to LiH, B, and hydrogen gas according to the equation logPeq/P0 =(-3263.5 +/-309)/T+ (2.458 +/-0.69) with DeltaH evap.= 62.47+/-5.9 kJ/mol of H2, DeltaSevap. = 47.05+/-13 J/mol of H2.K. The NaBH4 also had somewhat similar behavior, with 9% congruent evaporation and equilibrium vapor pressure equation of logPLiBH4=-7700+/-335/ T+ (6.7+/-1.5) and 91% incongruent decomposition to Na and Boron metal, and hydrogen gas. The enthalpy of vaporization; DeltaHevap. = 147.2+/-6.4kJ/molH2 and DeltaSevap.= 142 +/-28 kJ/molH2.K (550-650K). The Ca(BH4) 2 exhibited similar vaporization behavior with congruency of 3.2%. The decomposition products are CaH2 and Boron metal with evolution of hydrogen gas varying with the pressure equation as logPeq /P0 =(-1562

Li-promoted sodium zirconate as a CO{sub 2} absorbent at high temperatures; Zirconato de sodio promovido con Li como absorbente de CO{sub 2} a alta temperatura

Energy Technology Data Exchange (ETDEWEB)

Guzman Velderrain, V.; Barraza Jimenez, D.; Lardizabal Gutierrez, D.; Delgado Vigil, D.; Salinas Gutierrez, J.; Lopez Ortiz, A.; Collins-Martinez, V. [Centro de Investigacion en Materiales Avanzados S. C., Chihuahua, Chihuahua (Mexico)]. E-mail: virginia.collins@cimav.edu.mx

2009-09-15

In processes to produce hydrogen from fossil fuels, CO{sub 2} capture at high temperatures has played a crucial role in their conversion into energy-efficient processes. One example is steam reformer methane improved with absorption (SER), where CO{sub 2} capture at high temperatures (600 degrees Celsius) provides an energy savings of {approx_equal} 23% over conventional reformer processes (SMR). An important part of this concept is solid CO{sub 2} absorption, which must have adequate absorption capacity and rapid absorption/regeneration kinetics. Recently, synthetic CO{sub 2} absorbents have been developed that consist of mixed Li oxides. Previous studies conducted in our laboratory report that the absorption/regeneration properties of sodium zirconate (Na{sub 2}ZrO{sub 3}) are higher than Li-oxides. The objective of the present work is to increase the absorption capacity of Na{sub 2}ZrO{sub 3} at high temperatures without significantly affecting the kinetics of its absorption and regeneration, with Li promotion. The Na{sub 2}ZrO{sub 3} was synthesized by reaction in a solid state and impregnated with LiNO{sub 3} at different Li/Na ratios: 0, 0.03, 0.05, 0.1 and 0.25 (NZ, NZL3, NZL5, NZL10, NZL25). The characterization consisted of XRD and SEM. The evaluation as an absorbent was performed with TGA at 600 degrees Celsius in 80% CO{sub 2} (absorption) and 800 degrees Celsius in air (regeneration). While XRD shows only the Na{sub 2}ZrO{sub 3} structure in all the samples, the promoted samples present a signal shift with respect to Na{sub 2}ZrO{sub 3}, which is attributed to the substitution of Na atoms with Li. The TGA results indicate that the addition of Li to the Na{sub 2}ZrO{sub 3} structure does not significantly modify the absorption or regeneration kinetics. As the Li contents in the Na{sub 2}ZrO{sub 3} increase, the amount of CO{sub 2} capture increases up to a limit between 10 and 25% mol of Li. This is due to the displaced sodium presumably tending to form

NMR study of the paramagnetic state of low-dimensional magnets LiCu{sub 2}O{sub 2} and NaCu{sub 2}O{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Piskunov, Yu. V.; Gerashchenko, A. P.; Ogloblichev, V. V.; Smol’nikov, A. G.; Verkhovskii, S. V.; Arapova, I. Yu.; Volkova, Z. N.; Mikhalev, K. N. [Russian Academy of Sciences, Mikheev Institute of Metal Physics, Ural Branch (Russian Federation); Bush, A. A. [Moscow State Technical University of Radio Engineering, Electronics, and Automation (Russian Federation)

2017-02-15

A comprehensive NMR study of the magnetic properties of single crystal LiCu{sub 2}O{sub 2} (LCO) and NaCu{sub 2}O{sub 2} (NCO) is carried out in the paramagnetic region of the compounds for various orientations of single crystals in an external magnetic field. The values of the electric-field gradient (EFG) tensor, as well as the dipole and transferred hyperfine magnetic fields for {sup 63,65}Cu, {sup 7}Li, and {sup 23}Na nuclei are determined. The results are compared with the data obtained in previous NMR studies of the magnetically ordered state of LCO/NCO cuprates.

Structural transformation during Li/Na insertion and theoretical cyclic voltammetry of the δ-NH4V4O10 electrode: a first-principles study.

Science.gov (United States)

Sarkar, Tanmay; Kumar, Parveen; Bharadwaj, Mridula Dixit; Waghmare, Umesh

2016-04-14

A double layer δ-NH4V4O10, due to its high energy storage capacity and excellent rate capability, is a very promising cathode material for Li-ion and Na-ion batteries for large-scale renewable energy storage in transportation and smart grids. While it possesses better stability, and higher ionic and electronic conductivity than the most widely explored V2O5, the mechanisms of its cyclability are yet to be understood. Here, we present a theoretical cyclic voltammetry as a tool based on first-principles calculations, and uncover structural transformations that occur during Li(+)/Na(+) insertion (x) into (Lix/Nax)NH4V4O10. Structural distortions associated with single-phase and multi-phase structural changes during the insertion of Li(+)/Na(+), identified through the analysis of voltage profile and theoretical cyclic voltammetry are in agreement with the reported experimental electrochemical measurements on δ-NH4V4O10. We obtain an insight into its electronic structure with a lower band gap that is responsible for the high rate capability of (Lix/Nax) δ-NH4V4O10. The scheme of theoretical cyclic voltammetry presented here will be useful for addressing issues of cyclability and energy rate in other electrode materials.

(1−x)[(K$_{0.5}$Na$_{0.5}$)NbO$_3$–LiSbO$_3

Indian Academy of Sciences (India)

Lead-free piezoelectric ceramics ( 1 − x ) [0.95(K 0.5 Na 0.5 )NbO 3 –0.05LiSbO 3 ]– x BiFe 0.8 Co 0.2 O 3 (KNN–LS– x BFC) were prepared by a conventional sintering technique. The effect of BFC content on the structure, piezoelectricand electrical properties of KNN–LS ceramics was investigated. The results reveal that ...

Influence of the composition to the physical properties of NaF-LiF-LaF3 melt liquid systems

Directory of Open Access Journals (Sweden)

L. A. Bulavin

2013-06-01

Full Text Available Influence of the chemical composition of NaF-LiF-LaF3 system on temperature dependence of electrical con-ductivity, viscosity and thermoelectric power has been studied in a wide temperature range between 600 and 1500 К. The obtained results could help in design of the molten salt reactor blanket.

Evaluation of structure, dielectric and electrical properties of (Li/Ta/Sb modified (Na, K NbO3 lead-free ceramics with excess Na concentration

Directory of Open Access Journals (Sweden)

Md. Kashif Shamim

2017-12-01

Full Text Available Polycrystalline perovskite structured (Li0.04 (Na0.54+x K0.460.96 (Nb0.81Ta0.15 Sb0.04 O3 ceramics with x=0.00, 0.005 and 0.01 mole excess Na concentration were prepared by solid state sintering method. The present study relates the role of excess Na addition with the stoichiometry, density, structure, dielectric and ferroelectric properties of the samples. X-ray diffraction (XRD pattern exhibits single phase orthorhombic structure. The characteristic Raman modes were observed due to translational modes of cations and vibrational modes of NbO6 octahedra and no structural phase transition were observed. This confirms the formation of single phase perovskite structure and is consistent with XRD results. The dielectric permittivity increases about two times, while dielectric loss decreases by four times for x=0.01 composition. The electrical measurements carried by Complex Impedance spectroscopic analysis suggest negative temperature coefficient of resistance (NTCR behavior.

Pt@Ag and Pd@Ag core/shell nanoparticles for catalytic degradation of Congo red in aqueous solution

Science.gov (United States)

Salem, Mohamed A.; Bakr, Eman A.; El-Attar, Heba G.

2018-01-01

Platinum/silver (Pt@Ag) and palladium/silver (Pd@Ag) core/shell NPs have been synthesized in two steps reaction using the citrate method. The progress of nanoparticle formation was followed by the UV/Vis spectroscopy. Transmission electron microscopy revealed spherical shaped core/shell nanoparticles with average particle diameter 32.17 nm for Pt@Ag and 8.8 nm for Pd@Ag. The core/shell NPs were further characterized by FT-IR and XRD. Reductive degradation of the Congo red dye was chosen to demonstrate the excellent catalytic activity of these core/shell nanostructures. The nanocatalysts act as electron mediators for the transfer of electrons from the reducing agent (NaBH4) to the dye molecules. Effect of reaction parameters such as nanocatalyst dose, dye and NaBH4 concentrations on the dye degradation was investigated. A comparison between the catalytic activities of both nanocatalysts was made to realize which of them the best in catalytic performance. Pd@Ag was the higher in catalytic activity over Pt@Ag. Such greater activity is originated from the smaller particle size and larger surface area. Pd@Ag nanocatalyst was catalytically stable through four subsequent reaction runs under the utilized reaction conditions. These findings can thus be considered as possible economical alternative for environmental safety against water pollution by dyes.

Advancement of technology towards developing Na-ion batteries

Science.gov (United States)

Jamesh, Mohammed Ibrahim; Prakash, A. S.

2018-02-01

The Na-ion-batteries are considered much attention for the next-generation power-sources due to the high abundance of Na resources that lower the cost and become the alternative for the state of the art Li-ion batteries in future. In this review, the recently reported potential cathode and anode candidates for Na-ion-batteries are identified in-light-of-their high-performance for the development of Na-ion-full-cells. Further, the recent-progress on the Na-ion full-cells including the strategies used to improve the high cycling-performance (stable even up-to 50000 cycles), operating voltage (even ≥ 3.7 V), capacity (>350 mAhg-1 even at 1000 mAg-1 (based-on-mass-of-the-anode)), and energy density (even up-to 400 Whkg-1) are reviewed. In addition, Na-ion-batteries with the electrodes containing reduced graphene oxide, and the recent developments on symmetric Na-ion-batteries are discussed. Further, this paper identifies the promising Na-ion-batteries including the strategies used to assemble full-cell using hard-carbon-anodes, Na3V2(PO4)3 cathodes, and other-electrode-materials. Then, comparison between aqueous and non-aqueous Na-ion-batteries in terms of voltage and energy density has been given. Later, various types of electrolytes used for Na-ion-batteries including aqueous, non-aqueous, ionic-liquids and solid-state electrolytes are discussed. Finally, commercial and technological-developments on Na-ion-batteries are provided. The scientific and engineering knowledge gained on Na-ion-batteries afford conceivable development for practical application in near future.

Development of Sulfide Solid Electrolytes and Interface Formation Processes for Bulk-Type All-Solid-State Li and Na Batteries

Energy Technology Data Exchange (ETDEWEB)

Hayashi, Akitoshi, E-mail: hayashi@chem.osakafu-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan); Sakuda, Atsushi [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan); Department of Energy and Environment, Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka (Japan); Tatsumisago, Masahiro [Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka (Japan)

2016-07-15

All-solid-state batteries with inorganic solid electrolytes (SEs) are recognized as an ultimate goal of rechargeable batteries because of their high safety, versatile geometry, and good cycle life. Compared with thin-film batteries, increasing the reversible capacity of bulk-type all-solid-state batteries using electrode active material particles is difficult because contact areas at solid–solid interfaces between the electrode and electrolyte particles are limited. Sulfide SEs have several advantages of high conductivity, wide electrochemical window, and appropriate mechanical properties, such as formability, processability, and elastic modulus. Sulfide electrolyte with Li{sub 7}P{sub 3}S{sub 11} crystal has a high Li{sup +} ion conductivity of 1.7 × 10{sup −2} S cm{sup −1} at 25°C. It is far beyond the Li{sup +} ion conductivity of conventional organic liquid electrolytes. The Na{sup +} ion conductivity of 7.4 × 10{sup −4} S cm{sup −1} is achieved for Na{sub 3.06}P{sub 0.94}Si{sub 0.06}S{sub 4} with cubic structure. Moreover, formation of favorable solid–solid interfaces between electrode and electrolyte is important for realizing solid-state batteries. Sulfide electrolytes have better formability than oxide electrolytes. Consequently, a dense electrolyte separator and closely attached interfaces with active material particles are achieved via “room-temperature sintering” of sulfides merely by cold pressing without heat treatment. Elastic moduli for sulfide electrolytes are smaller than that of oxide electrolytes, and Na{sub 2}S–P{sub 2}S{sub 5} glass electrolytes have smaller Young’s modulus than Li{sub 2}S–P{sub 2}S{sub 5} electrolytes. Cross-sectional SEM observations for a positive electrode layer reveal that sulfide electrolyte coating on active material particles increases interface areas even with a minimum volume of electrolyte, indicating that the energy density of bulk-type solid-state batteries is enhanced. Both surface coating

Speciation analysis of 129I in seawater by carrier-free AgI-AgCl coprecipitation and accelerator mass spectrometric measurement

DEFF Research Database (Denmark)

Luo, Maoyi; Hou, Xiaolin; He, Chaohui

2013-01-01

A rapid and simple method was developed for speciation analysis of 129I in seawater by selective coprecipitation of carrier-free iodide and accelerator mass spectrometry (AMS) measurement of 129I. Iodide was separated from seawater and other species of iodine by coprecipitation of AgI with Ag2SO3......, AgCl, and AgBr by addition of only 100 mg/L Ag+ and 0.3 mmol/L NaHSO3 at pH 4.2-5.5. The separation efficiency of iodide was more than 95%, and crossover between 129IO3- and 129I- fractions is less than 3%. Iodate and total inorganic iodine were converted to iodide by use of NaHSO3 at pH 1......-2 and then separated by the same method as for iodide. Ag2SO3 in the coprecipitate was removed by washing with 3 mol/L HNO3 and the excess AgCl and AgBr was removed by use of diluted NH3, and finally a 1-3 mg precipitate was obtained for AMS measurement of 129I. The recovery of iodine species in the entire procedure...

Etched colloidal LiFePO4 nanoplatelets toward high-rate capable Li-ion battery electrodes.

Science.gov (United States)

Paolella, Andrea; Bertoni, Giovanni; Marras, Sergio; Dilena, Enrico; Colombo, Massimo; Prato, Mirko; Riedinger, Andreas; Povia, Mauro; Ansaldo, Alberto; Zaghib, Karim; Manna, Liberato; George, Chandramohan

2014-12-10

LiFePO4 has been intensively investigated as a cathode material in Li-ion batteries, as it can in principle enable the development of high power electrodes. LiFePO4, on the other hand, is inherently "plagued" by poor electronic and ionic conductivity. While the problems with low electron conductivity are partially solved by carbon coating and further by doping or by downsizing the active particles to nanoscale dimensions, poor ionic conductivity is still an issue. To develop colloidally synthesized LiFePO4 nanocrystals (NCs) optimized for high rate applications, we propose here a surface treatment of the NCs. The particles as delivered from the synthesis have a surface passivated with long chain organic surfactants, and therefore can be dispersed only in aprotic solvents such as chloroform or toluene. Glucose that is commonly used as carbon source for carbon-coating procedure is not soluble in these solvents, but it can be dissolved in water. In order to make the NCs hydrophilic, we treated them with lithium hexafluorophosphate (LiPF6), which removes the surfactant ligand shell while preserving the structural and morphological properties of the NCs. Only a roughening of the edges of NCs was observed due to a partial etching of their surface. Electrodes prepared from these platelet NCs (after carbon coating) delivered a capacity of ∼ 155 mAh/g, ∼ 135 mAh/g, and ∼ 125 mAh/g, at 1 C, 5 C, and 10 C, respectively, with significant capacity retention and remarkable rate capability. For example, at 61 C (10.3 A/g), a capacity of ∼ 70 mAh/g was obtained, and at 122 C (20.7 A/g), the capacity was ∼ 30 mAh/g. The rate capability and the ease of scalability in the preparation of these surface-treated nanoplatelets make them highly suitable as electrodes in Li-ion batteries.

Comparative Study of Antimicrobial Activity of AgBr and Ag Nanoparticles (NPs)

Science.gov (United States)

Suchomel, Petr; Kvitek, Libor; Panacek, Ales; Prucek, Robert; Hrbac, Jan; Vecerova, Renata; Zboril, Radek

2015-01-01

The diverse mechanism of antimicrobial activity of Ag and AgBr nanoparticles against gram-positive and gram-negative bacteria and also against several strains of candida was explored in this study. The AgBr nanoparticles (NPs) were prepared by simple precipitation of silver nitrate by potassium bromide in the presence of stabilizing polymers. The used polymers (PEG, PVP, PVA, and HEC) influence significantly the size of the prepared AgBr NPs dependently on the mode of interaction of polymer with Ag+ ions. Small NPs (diameter of about 60–70 nm) were formed in the presence of the polymer with low interaction as are PEG and HEC, the polymers which interact with Ag+ strongly produce nearly two times bigger NPs (120–130 nm). The prepared AgBr NPs were transformed to Ag NPs by the reduction using NaBH4. The sizes of the produced Ag NPs followed the same trends – the smallest NPs were produced in the presence of PEG and HEC polymers. Prepared AgBr and Ag NPs dispersions were tested for their biological activity. The obtained results of antimicrobial activity of AgBr and Ag NPs are discussed in terms of possible mechanism of the action of these NPs against tested microbial strains. The AgBr NPs are more effective against gram-negative bacteria and tested yeast strains while Ag NPs show the best antibacterial action against gram-positive bacteria strains. PMID:25781988

Electron transfer in keV Li+-Na(3s, 3p) collisions: I. Atomic basis coupled-channel calculations

International Nuclear Information System (INIS)

Nielsen, S.E.; Dubois, A.

1995-01-01

Integral cross sections for electron capture from the ground state Na(3s) and excited states Na(3p) to Li(nlm), n = 2, 3, are calculated by the semiclassical impact-parameter method, using a two-centre atomic basis expansion. In the impact energy range 1-50 keV, results are analysed with particular emphasis on the alignment and orientation of initial and final p-states. At intermediate velocities opposite initial alignment effects are found for capture to n = 2 and n = 3 states, respectively. Orientation effects in state-to-state capture cross sections are predicted from oriented and tilted aligned initial states. (Author)

Silicene for Na-ion battery applications

KAUST Repository

Zhu, Jiajie; Schwingenschlö gl, Udo

2016-01-01

Na-ion batteries are promising candidates to replace Li-ion batteries in large scale applications because of the advantages in natural abundance and cost of Na. Silicene has potential as the anode in Li-ion batteries but so far has not received

Synthesis and photoluminescence of Sm3+ doped alkali alkaline earth borate hosts NaBa4 (BO3)3 and LiSr4(BO3)3

International Nuclear Information System (INIS)

Chauhan, A.V.; Nagpure, P.A.; Omanwar, S.K.

2012-01-01

In this paper we report the photoluminescence of Sm 3+ doped alkali alkaline borate hosts NaBa 4 (BO 3 ) 3 and LiSr 4 (BO 3 ) 3 . For the synthesis of alkali alkaline borate hosts NaBa 4 (BO 3 ) 3 and LiSr 4 (BO 3 ) 3 doped with different concentrations of Sm 3+ ions, we used the novel combustion technique. The phase purity of the hosts was confirmed by the powder XRD technique. The photoluminescence of the phosphors were carried out within 300 to 700 nm wavelength range. The phosphor shows intense orange red (602 nm) emission for near UV excitation. The FTIR spectra of the phase pure hosts have also been reported. (author)

The phase transformation and crystallization kinetics of (1 - x)Li2O-xNa2O-Al2O3-4SiO2 glasses

International Nuclear Information System (INIS)

Wang, Moo-Chin; Li, Wang-Long; Cheng, Chih-Wei; Chang, Kuo-Ming; Chen, Yong-Feng; Hsi, Chi-Shiung

2010-01-01

The phase transformation and crystallization kinetics of (1 - x)Li 2 O-xNa 2 O-Al 2 O 3 -4SiO 2 glasses have been studied by using differential thermal analysis (DTA), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron diffraction (ED) analysis. The crystallization temperature at the exothermic peak increases from 1171 to 1212 K when the Na 2 O content increases from 0 to 0.6 mol. The crystalline phase is composed of spodumene crystallization when the Na 2 O content increases from 0 to 0.6 mol. The activation energy of spodumene crystallization decreases from 444.0 ± 22.2 to 284.0 ± 10.8 kJ mol -1 when the Na 2 O content increases from 0 to 0.4 mol. Moreover, the activation energy increases from 284.0 ± 10.8 to 446.0 ± 23.2 kJ mol -1 when the Na 2 O content increases from 0.4 to 0.6 mol. The crystallization parameters m and n approach 2, indicating that the surface nucleation and two-dimensional growth are dominant in (1 - x)Li 2 O-xNa 2 O-Al 2 O 3 -4SiO 2 glasses.

K0.78Na0.22MoO2AsO4

Directory of Open Access Journals (Sweden)

Ahmed Driss

2013-08-01

Full Text Available The title compound, potassium sodium dioxidomolybdenum(VI arsenate, K0.78Na0.22MoO2AsO4, was synthesized by a solid-state reaction route. The structure is built up from corner-sharing MoO6 octahedra and AsO4 tetrahedra, creating infinite [MoAsO8]∞ chains running along the b-axis direction. As, Mo and all but one O atom are on special positions (4c with m symmetry and K (occupancy 0.78 is on a position (4a of -1 in the tunnels. The possible motion of the alkali cations has been investigated by means of the bond-valance sum (BVS model. The simulation shows that the Na+ motion appears to be easier mainly along the b-axis direction. Structural relationships between the different compounds of the AMoO2AsO4 (A = Ag, Li, Na, K, Rb series and MXO8 (M = V; X = P, As chains are discussed.

Production of Ag Nanocubes on a Scale of 0.1 g per Batch by Protecting the NaHS-Mediated Polyol Synthesis with Argon

OpenAIRE

Zhang, Qiang; Cobley, Claire; Au, Leslie; McKiernan, Maureen; Schwartz, Andrea; Wen, Long-Ping; Chen, Jingyi; Xia, Younan

2009-01-01

Gold nanocages synthesized from Ag nanocubes via the galvanic replacement reaction are finding widespread use in a range of applications due to their tunable optical properties. Most of these applications require the use of nanocages with a uniform size and in large quantities. This requirement translates into a demand for scaling up the production of Ag nanocubes with uniform, well-controlled sizes. Here we report such a method based on the modification of NaHS-mediated polyol synthesis with...

Reduction of Nitroarenes into Aryl Amines and N-Aryl hydroxylamines via Activation of NaBH4 and Ammonia-Borane Complexes by Ag/TiO2 Catalyst

Directory of Open Access Journals (Sweden)

Dimitrios Andreou

2016-03-01

Full Text Available In this study, we report the fabrication of mesoporous assemblies of silver and TiO2 nanoparticles (Ag/MTA and demonstrate their catalytic efficiency for the selective reduction of nitroarenes. The Ag/TiO2 assemblies, which show large surface areas (119–128 m2·g−1 and narrow-sized mesopores (ca. 7.1–7.4 nm, perform as highly active catalysts for the reduction of nitroarenes, giving the corresponding aryl amines and N-aryl hydroxylamines with NaBH4 and ammonia-borane (NH3BH3, respectively, in moderate to high yields, even in large scale reactions (up to 5 mmol. Kinetic studies indicate that nitroarenes substituted with electron-withdrawing groups reduced faster than those with electron-donating groups. The measured positive ρ values from the formal Hammett-type kinetic analysis of X-substituted nitroarenes are consistent with the proposed mechanism that include the formation of possible [Ag]-H hybrid species, which are responsible for the reduction process. Because of the high observed chemo selectivities and the clean reaction processes, the present catalytic systems, i.e., Ag/MTA-NaBH4 and Ag/MTA-NH3BH3, show promise for the efficient synthesis of aryl amines and N-aryl hydroxylamines at industrial levels.

Coupling of Ag Nanoparticle with Inverse Opal Photonic Crystals as a Novel Strategy for Upconversion Emission Enhancement of NaYF4: Yb(3+), Er(3+) Nanoparticles.

Science.gov (United States)

Shao, Bo; Yang, Zhengwen; Wang, Yida; Li, Jun; Yang, Jianzhi; Qiu, Jianbei; Song, Zhiguo

2015-11-18

Rare-earth-ion-doped upconversion (UC) nanoparticles have generated considerable interest because of their potential application in solar cells, biological labeling, therapeutics, and imaging. However, the applications of UC nanoparticles were still limited because of their low emission efficiency. Photonic crystals and noble metal nanoparticles are applied extensively to enhance the UC emission of rare earth ions. In the present work, a novel substrate consisting of inverse opal photonic crystals and Ag nanoparticles was prepared by the template-assisted method, which was used to enhance the UC emission of NaYF4: Yb(3+), Er(3+) nanoparticles. The red or green UC emissions of NaYF4: Yb(3+), Er(3+) nanoparticles were selectively enhanced on the inverse opal substrates because of the Bragg reflection of the photonic band gap. Additionally, the UC emission enhancement of NaYF4: Yb(3+), Er(3+) nanoparticles induced by the coupling of metal nanoparticle plasmons and photonic crystal effects was realized on the Ag nanoparticles included in the inverse opal substrate. The present results demonstrated that coupling of Ag nanoparticle with inverse opal photonic crystals provides a useful strategy to enhance UC emission of rare-earth-ion-doped nanoparticles.

Selectivity of crystalline Cesup(IV) phosphate sulphate hydrates for Li+, Na+, K+, Rb+ Cs+, and NH4+ in absolute methanol and absolute dimethylsulphoxide

International Nuclear Information System (INIS)

Koenig, K.H.; Psotta, L.

1978-01-01

The sequence of exchange capacities of Cerium(IV) phosphate sulphate hydrate (CePO 4 ) 2 (HPO 4 )sub(0.74(SO 4 )sub(0.26) . 4.74 H 2 O for alkalimetal ions and ammoniumions in absolute methanol at 25 0 C for the case of a small excess of the exchanger (in relation to the equivalent amount) is given by K + > Rb + >= NH 4 + > Cs + > Na + > Li + . Between the exchange capacity A of these cations and their ionic radii r (given by Ladd) exists the simple relation A = const./r. For Na + the radius of the inner hydration shell must be considered. In absolute dimethyl-sulphoxide under the same conditions the sequence is K + >= NH 4 + > Rb + > Na + > Cs + > Li + . For K + , NH 4 + , Rb + and Cs + the exchange capacity is given by A = const./r. + const. . r 4 . The sequences of the alkali ions in both solvents are among the group of 13 sequences which are physicaly significant according to Eisenmann's theory. The results are compared with the observations made with water as solvent. (author)

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Scalable synthesis of nano-silicon from beach sand for long cycle life Li-ion batteries.

Science.gov (United States)

Favors, Zachary; Wang, Wei; Bay, Hamed Hosseini; Mutlu, Zafer; Ahmed, Kazi; Liu, Chueh; Ozkan, Mihrimah; Ozkan, Cengiz S

2014-07-08

Herein, porous nano-silicon has been synthesized via a highly scalable heat scavenger-assisted magnesiothermic reduction of beach sand. This environmentally benign, highly abundant, and low cost SiO₂ source allows for production of nano-silicon at the industry level with excellent electrochemical performance as an anode material for Li-ion batteries. The addition of NaCl, as an effective heat scavenger for the highly exothermic magnesium reduction process, promotes the formation of an interconnected 3D network of nano-silicon with a thickness of 8-10 nm. Carbon coated nano-silicon electrodes achieve remarkable electrochemical performance with a capacity of 1024 mAhg(-1) at 2 Ag(-1) after 1000 cycles.

Hydrothermal synthesis of Li4-xNaxTi5O12 and Li4-xNaxTi5O12/graphene composites as anode materials for lithium-ion batteries

Directory of Open Access Journals (Sweden)

Zhu Jiping

2016-01-01

Full Text Available A potential Lithium-ion battery anode material Li4-xNaxTi5O12 (0≤x≤0.15 has been synthesized via a facile hydrothermal method with short processing time and low temperature. The XRD and FE-SEM results indicate that samples with Na-doped are well-crystallized and have more homogeneous particle distributions with smaller overall particle size in the range of 300-600nm. Electrochemical tests reveal that Na-doped samples exhibit impressive specific capacity and cycle stability compared to pristine Li4Ti5O12 at high rate. The Li3.9Na0.1Ti5O12 electrode deliver an initial specific discharge capacity of 169mAh/g at 0.5C and maintained at 150.4mAh/g even after 40 cycles with the reversible retention of 88.99%. Finally, a simple solvothermal reduction method was used to fabricate Li3.9Na0.1Ti5O12/graphene(Li3.9Na0.1Ti5O12/G composite. Galvanostatic charge-discharge tests demonstrate that this sample has remarkable capacities of 197.4mAh/g and 175.5mAh/g at 0.2C and 0.5C rate, respectively. This indicates that the Li3.9Na0.1Ti5O12/G composite is a promising anode material for using in lithium-ion batteries.

Mixed-Alkali Effect in Li2O-Na2O-K2O-B2O3 Glasses: Infrared and Optical Absorption Studies

Science.gov (United States)

Samee, M. A.; Edukondalu, A.; Ahmmad, Shaik Kareem; Taqiullah, Sair Md.; Rahman, Syed

2013-08-01

The mixed-alkali effect (MAE) has been investigated in the glass system (40 - x)Li2O- xNa2O-10K2O-50B2O3 (0 mol% ≤ x ≤ 40 mol%) through density, modulated differential scanning calorimetry (DSC), and optical absorption studies. From the absorption studies, the values of the optical band gap ( E opt) for direct transition and Urbach energy (Δ E) have been evaluated. The values of E opt and Δ E show nonlinear behavior with the compositional parameter. The density and glass-transition temperature of the present glasses also show nonlinear variation, supporting the existence of MAE. The infrared (IR) spectra of the glasses reveal the presence of three- and four-coordinated boron atoms. The specific vibrations of Li-O, Na-O, and K-O bonds were observed in the present IR study.

Calculations of the optical properties for FA1:Ag+ centers and CN interactions at the regular and defect sites of the LiI (0 0 1) surface: First principle calculations

International Nuclear Information System (INIS)

Abdel Aal, S.

2007-01-01

The optical properties of the F A1 :Ag + color centers and CN interactions at the flat, edge and corner surfaces of LiI (0 0 1) were investigated by using quantum mechanical configuration interaction singles (CIS) and density functional theory (DFT) ab initio methods. Clusters of variable sizes were embedded in the simulated Coulomb fields that closely approximate the Madelung fields of the host surfaces, and the nearest-neighbor ions to the defect site were allowed to relax to equilibrium in order to calculate the optical properties. The sensitivity of the calculated transition energies (Stokes shifts) of F A1 :Ag + centers as well as related optical properties such as optical-optical conversion efficiency, relaxed excited states of the defect-containing surface, orientational destruction of the point defect, recording sensitivity, and the Glasner-Tompkins empirical rule, to the coordination number of the surface ion and artificial polarization were examined. The dependance of the adsorption energies of CN at LiI (0 0 1) surface, the coadsorption of CN, and the charge transfer reactions between CN and the paramagnetic iodine vacancy on the coordination number and artificial polarization effects were also clarified

Na/K pump inactivation, subsarcolemmal Na measurements, and cytoplasmic ion turnover kinetics contradict restricted Na spaces in murine cardiac myocytes.

Science.gov (United States)

Lu, Fang-Min; Hilgemann, Donald W

2017-07-03

Decades ago, it was proposed that Na transport in cardiac myocytes is modulated by large changes in cytoplasmic Na concentration within restricted subsarcolemmal spaces. Here, we probe this hypothesis for Na/K pumps by generating constitutive transsarcolemmal Na flux with the Na channel opener veratridine in whole-cell patch-clamp recordings. Using 25 mM Na in the patch pipette, pump currents decay strongly during continuous activation by extracellular K (τ, ∼2 s). In contradiction to depletion hypotheses, the decay becomes stronger when pump currents are decreased by hyperpolarization. Na channel currents are nearly unchanged by pump activity in these conditions, and conversely, continuous Na currents up to 0.5 nA in magnitude have negligible effects on pump currents. These outcomes are even more pronounced using 50 mM Li as a cytoplasmic Na congener. Thus, the Na/K pump current decay reflects mostly an inactivation mechanism that immobilizes Na/K pump charge movements, not cytoplasmic Na depletion. When channel currents are increased beyond 1 nA, models with unrestricted subsarcolemmal diffusion accurately predict current decay (τ ∼15 s) and reversal potential shifts observed for Na, Li, and K currents through Na channels opened by veratridine, as well as for Na, K, Cs, Li, and Cl currents recorded in nystatin-permeabilized myocytes. Ion concentrations in the pipette tip (i.e., access conductance) track without appreciable delay the current changes caused by sarcolemmal ion flux. Importantly, cytoplasmic mixing volumes, calculated from current decay kinetics, increase and decrease as expected with osmolarity changes (τ >30 s). Na/K pump current run-down over 20 min reflects a failure of pumps to recover from inactivation. Simulations reveal that pump inactivation coupled with Na-activated recovery enhances the rapidity and effectivity of Na homeostasis in cardiac myocytes. In conclusion, an autoregulatory mechanism enhances cardiac Na/K pump activity when

Ozone decomposition on Ag/SiO2 and Ag/clinoptilolite catalysts at ambient temperature

International Nuclear Information System (INIS)

Nikolov, Penko; Genov, Krassimir; Konova, Petya; Milenova, Katya; Batakliev, Todor; Georgiev, Vladimir; Kumar, Narendra; Sarker, Dipak K.; Pishev, Dimitar; Rakovsky, Slavcho

2010-01-01

Silver modified zeolite (Bulgarian natural clinoptilolite) and Ag/silica catalysts were synthesized by ion exchange and incipient wet impregnation method respectively and characterized by different techniques. DC arc-AES was used for Ag detection. XRD spectra show that Ag is loaded over the surface of the SiO 2 sample and that after the ion-exchange process the HEU type structure of clinoptilolite is retained. UV-VIS (specific reflection at 310 nm) and IR (band at 695 cm -1 ) spectroscopy analysis proved that silver is loaded as a T-atom into zeolite channels as Ag + , instead of Na + , Ca 2+ , or K + ions, existing in the natural clinoptilolite form. The samples Ag/SiO 2 and Ag-clinoptilolite were tested as catalysts for decomposition of gas phase ozone. Very high catalytic activity (up to 99%) was observed and at the same time the catalysts remained active over time at room temperature.

Effects of Li and Na intercalation on electronic, bonding and thermoelectric transport properties of MX{sub 2} (M = Ta; X = S or Se) dichalcogenides – Ab initio investigation

Energy Technology Data Exchange (ETDEWEB)

Meziane, Souheyr; Feraoun, Houda [Unité de Recherche Matériaux et Energies Renouvelables – URMER, Université de Tlemcen (Algeria); Ouahrani, Tarik [Laboratoire de Physique Théorique, Ecole Préparatoire en Sciences et Techniques, B.P. 230, 13000 Tlemcen (Algeria); Esling, Claude, E-mail: claude.esling@univ-lorraine.fr [Laboratoire d’Etude des Microstructures et de Mécanique des Matériaux, LEM3 UMR CNRS 7239, Université de Lorraine UL, Metz 57045 (France); Laboratoire d’Excellence “DAMAS”: Design of Metal Alloys for low-mAss Structures, Université de Lorraine – Metz, Ile du Saulcy, 57045 Metz Cedex 01 (France)

2013-12-25

Highlights: •Topological method is used to analyze the chemical bonding in Li(Na)TaX{sub 2} dichalcogenide compounds. •For the first time, Seebeck coefficient, electrical resistivity and thermal conductivity were estimated. •The best figure of merit is established for 2H-LiTaS{sub 2}. •Some new thermoelectric compounds are found. -- Abstract: Using the pseudo-potential method and semi-classical Boltzmann theory, electronic, chemical bonding and thermoelectric transport properties of sample and Li or Na intercalated Ta(S, Se){sub 2} dichalcogenides have been reported. The chemical bonding is studied using the Quantum Theory of Atoms in Molecules (QTAIM). Then, the Seebeck coefficient, electrical resistivity, electrical conductivity, thermal conductivity and figure of merit have been calculated in the temperature range 100–700 K. It was shown that the thermoelectric transport properties strongly depend on the Alkali metals doping and the two main structures 1T- or 2H- as well as the temperature. 2H-LiTaS{sub 2} have been selected as the best candidate for thermoelectrical applications with zT = 1.1.

Effect of MnO doping on the structure, microstructure and electrical properties of the (K,Na,Li)(Nb,Ta,Sb)O{sub 3} lead-free piezoceramics

Energy Technology Data Exchange (ETDEWEB)

Rubio-Marcos, F., E-mail: fernando.rubio-marcos@unilim.fr [Laboratoire de Science des Procedes Ceramiques et de Traitements de Surface, UMR 6638 CNRS, Universite de Limoges, Centre Europeen de la Ceramique, 12, rue Atlantis, 87068 Limoges Cedex (France); Marchet, P. [Laboratoire de Science des Procedes Ceramiques et de Traitements de Surface, UMR 6638 CNRS, Universite de Limoges, Centre Europeen de la Ceramique, 12, rue Atlantis, 87068 Limoges Cedex (France); Vendrell, X. [Grup de Quimica de l' Estat Solid, Departament de Quimica Inorganica, Universitat de Barcelona, 08028 Barcelona (Spain); Romero, J.J. [Electroceramic Department, Instituto de Ceramica y Vidrio, CSIC, Kelsen 5, 28049 Madrid (Spain); Remondiere, F. [Laboratoire de Science des Procedes Ceramiques et de Traitements de Surface, UMR 6638 CNRS, Universite de Limoges, Centre Europeen de la Ceramique, 12, rue Atlantis, 87068 Limoges Cedex (France); Mestres, L. [Grup de Quimica de l' Estat Solid, Departament de Quimica Inorganica, Universitat de Barcelona, 08028 Barcelona (Spain); Fernandez, J.F. [Electroceramic Department, Instituto de Ceramica y Vidrio, CSIC, Kelsen 5, 28049 Madrid (Spain)

2011-09-01

Highlights: {center_dot} MnO doping effects on structure and properties of (K,Na,Li)(Nb,Ta,Sb)O{sub 3} piezoceramics. {center_dot} The structure changes towards an orthorhombic symmetry for higher MnO concentrations. {center_dot} High doping levels induce a tetragonal tungsten-bronze secondary phase. {center_dot} Mn{sup 2+} doping modifies the phase transition temperature and the piezoelectric properties. {center_dot} Manganese doping increases the mechanical quality factor Q{sub m}. - Abstract: Mn{sup 2+}-doped (K,Na,Li)(Nb,Ta,Sb)O{sub 3} lead-free piezoelectric ceramics have been prepared by a conventional sintering technique. The effects of Mn{sup 2+} doping on the phase structure, microstructure and ferro-piezoelectric properties of the ceramics have been evaluated. MnO doping modifies the (K,Na,Li)(Nb,Ta,Sb)O{sub 3} structure, giving rise to the appearance of a TTB-like secondary phase and to changes on the orthorhombic to tetragonal phase transition temperature. The modification of this temperature induces a reduction of the piezoelectric constants, which is accompanied by an increase on the mechanical quality factor. Mn{sup 2+} ions incorporate into the perovskite structure in different off ways depending on their concentration.

Synthesis and characterization of Ag/AgBrO{sub 3} photocatalyst with high photocatalytic activity

Energy Technology Data Exchange (ETDEWEB)

Song, Limin, E-mail: songlmnk@sohu.com [College of Environment and Chemical Engineering & State Key Laboratory of Hollow-Fiber Membrane Materials and Membrane Processes, Tianjin Polytechnic University, Tianjin, 300387 (China); Li, Tongtong [College of Environment and Chemical Engineering & State Key Laboratory of Hollow-Fiber Membrane Materials and Membrane Processes, Tianjin Polytechnic University, Tianjin, 300387 (China); Zhang, Shujuan [College of Science, Tianjin University of Science & Technology, Tianjin, 300457 (China)

2016-10-01

A new Ag/AgBrO{sub 3} photocatalyst was prepared by mixing aqueous solutions of AgNO{sub 3} and NaBrO{sub 3}. The catalyst’s structure and performance were investigated with X-ray powder diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy. The UV–vis absorption spectrum of Ag/AgBrO{sub 3} exhibits a band gap of 3.97 eV. The results show that the Ag/AgBrO{sub 3} semiconductor can be excited by ultraviolet–visible light. The photodegradation of Rhodamine B displayed much higher photocatalytic activity than that of N-doped TiO{sub 2} under the same experimental conditions. Moreover, ·OH and ·O{sub 2}{sup −} generated in the photocatalysis played a key role of the photodegradation of Rhodamine B. - Highlights: • Ag/AgBrO{sub 3} with higher photodegradation ability was synthesized. • ·OH and ·O{sub 2}{sup −} radicals were the main active species in the oxidation of RhB. • The possible reaction mechanism was discussed in details.

Tug of war between AO-hybridization and aromaticity in dictating structures of Li-doped alkali clusters

Science.gov (United States)

Alexandrova, Anastassia N.

2012-04-01

Hybridization of atomic orbitals is a widely appreciated phenomenon in organic chemistry. Here, we demonstrate that hybridization also can dramatically impact the shapes of small all-alkali metal clusters, and oppose σ-aromaticity in defining cluster shapes. The valence-iso-electronic LiNa4- and LiK4- clusters adopt different global minimum structures: LiNa4- is a planar C2v (1A1) species distorted from the perfect pentagon, and LiK4- is a planar square D4h (1A1g) species with Li being in the centre. This effect is rooted in the different degrees of the 2s-2p hybridization in Li in response to binding to Na versus K.

Selectivity of crystalline Ce(IV)-phosphate-sulphate hydrates for Li+, Na+, K+, Rb+, Cs+, and NH4+ in aqueous medium

International Nuclear Information System (INIS)

Koenig, K.H.; Psotta, L.

1978-01-01

The sequence of exchange-capacities of Cerium(IV)-phosphate-sulphate hydrate (CePO 4 ) 2 (HPO 4 )sub(0.74)(SO 4 )sub(0.26) . 4.74 H 2 O concerning the alkaline ions and the ammonium ion in water at 25 0 C for the case of a small excess of the exchanger (in relation to the equivalent amount) is given by Na + > K + > Rb + > NH 4 + > Cs + > Li + . The simple relation A const/r was found between the exchange-capacity A of these cations and their ionic radii r (given by Ladd); only for Li + the radius of the inner hydration-shell must be considered. The observations are consistent with Eisenmann's theory. (author)

Thermodynamic assessment of the LiF–NaF–BeF{sub 2}–ThF{sub 4}–UF{sub 4} system

Energy Technology Data Exchange (ETDEWEB)

Capelli, E.; Beneš, O., E-mail: ondrej.benes@ec.europa.eu; Konings, R.J.M.

2014-06-01

The present study describes the full thermodynamic assessment of the LiF–NaF–BeF{sub 2}–ThF{sub 4}–UF{sub 4} system which is one of the key systems considered for a molten salt reactor fuel. The work is an extension of the previously assessed LiF–NaF–ThF{sub 4}–UF{sub 4} system with addition of BeF{sub 2} which is characterized by very low neutron capture cross section and a relatively low melting point. To extend the database the binary BeF{sub 2}–ThF{sub 4} and BeF{sub 2}–UF{sub 4} systems were optimized and the novel data were used for the thermodynamic assessment of BeF{sub 2} containing ternary systems for which experimental data exist in the literature. The obtained database is used to optimize the molten salt reactor fuel composition and to assess its properties with the emphasis on the melting behaviour.

A Ge(Li)-NaI(Tl) Compton-suppression spectrometer for in-beam γ-ray spectroscopy, ch. 2

International Nuclear Information System (INIS)

Driel, M.A. van; Hoogenboom, A.M.

1976-01-01

A Compton-suppression spectrometer has been constructed for in-beam γ-ray work. It consists of a closed-end Ge(Li) detector with an efficiency of 21% and a resolution of 2.0 keV for 1.33 MeV γ-rays surrounded by a NaI(Tl) shield (dia. 230 mm, length 280 mm). The overall Compton-suppression factor for a 60 Co spectrum is 10. Details of the construction are discussed and experimental properties are compared with design calculations

Simultaneous microwave-assisted synthesis, characterization, thermal stability, and antimicrobial activity of cellulose/AgCl nanocomposites

International Nuclear Information System (INIS)

Li, Shu-Ming; Fu, Lian-Hua; Ma, Ming-Guo; Zhu, Jie-Fang; Sun, Run-Cang; Xu, Feng

2012-01-01

By means of a simultaneous microwave-assisted method and a simple chemical reaction, cellulose/AgCl nanocomposites have been successfully synthesized using cellulose solution and AgNO 3 in N,N-dimethylacetamide (DMAc) solvent. The cellulose solution was firstly prepared by the dissolution of the microcrystalline cellulose and lithium chloride (LiCl) in DMAc. DMAc acts as both a solvent and a microwave absorber. LiCl was used as the reactant to fabricate AgCl crystals. The effects of the heating time and heating temperature on the products were studied. This method is based on the simultaneous formation of AgCl nanoparticles and precipitation of the cellulose, leading to a homogeneous distribution of AgCl nanoparticles in the cellulose matrix. The experimental results confirmed the formation of cellulose/AgCl nanocomposites with high-purity, good thermal stability and antimicrobial activity. This rapid, green and environmentally friendly microwave-assisted method opens a new window to the high value-added applications of biomass. -- Highlights: ► Cellulose/AgCl nanocomposites have been synthesized by microwave method. ► Effect of heating temperature on the nanocomposites was researched. ► Thermal stability of the nanocomposites was investigated. ► Cellulose/AgCl nanocomposites had good antimicrobial activity. ► This method is based on the simultaneous formation of AgCl and cellulose.

MeB5O8(Me-Li, Na, K, NH4)-H2NCONHCOCH3-H2O system at 25 deg C

International Nuclear Information System (INIS)

Skvortsov, V.G.; Fedorov, Yu.A.; Molodkin, A.K.; Tsekhanskij, R.S.

1986-01-01

Using the methods of isothermal solubility, densi- and refractometry, systems MB 5 O 8 (M-Li, Na, K, NH 4 )-acetylcarbamide - H 2 O at 25 deg C have been studied. It is ascertained, that the systems investigated are of simple eutonic type

Digital signal processing for a thermal neutron detector using ZnS(Ag):{sup 6}LiF scintillating layers read out with WLS fibers and SiPMs

Energy Technology Data Exchange (ETDEWEB)

Mosset, J.-B., E-mail: jean-baptiste.mosset@psi.ch; Stoykov, A.; Greuter, U.; Hildebrandt, M.; Schlumpf, N.

2016-07-11

We present a digital signal processing system based on a photon counting approach which we developed for a thermal neutron detector consisting of ZnS(Ag):{sup 6}LiF scintillating layers read out with WLS fibers and SiPMs. Three digital filters have been evaluated: a moving sum, a moving sum after differentiation and a digital CR-RC{sup 4} filter. The performances of the detector with these filters are presented. A full analog signal processing using a CR-RC{sup 4} filter has been emulated digitally. The detector performance obtained with this analog approach is compared with the one obtained with the best performing digital approach. - Highlights: • Application of digital signal processing for a SiPM-based ZnS:6LiF neutron detector. • Optimisation of detector performances with 3 different digital filters. • Comparison with detector performances with a full analog signal processing.

Production of Ag nanocubes on a scale of 0.1 g per batch by protecting the NaHS-mediated polyol synthesis with argon.

Science.gov (United States)

Zhang, Qiang; Cobley, Claire; Au, Leslie; McKiernan, Maureen; Schwartz, Andrea; Wen, Long-Ping; Chen, Jingyi; Xia, Younan

2009-09-01

Au nanocages synthesized from Ag nanocubes via the galvanic replacement reaction are finding widespread use in a range of applications because of their tunable optical properties. Most of these applications require the use of nanocages with a uniform size and in large quantities. This requirement translates into a demand for scaling up the production of Ag nanocubes with uniform, well-controlled sizes. Here we report such a method based on the modification of NaHS-mediated polyol synthesis with argon protection for fast reduction, which allows for the production of Ag nanocubes on a scale of 0.1 g per batch. The Ag nanocubes had an edge length tunable from 25 to 45 nm together with a size variation within +/-5 nm. The use of argon protection was the key to the success of this scale-up synthesis, suggesting the importance of controlling oxidative etching during synthesis.

Solid Sulphate Electrolytes The First Examples of a Strange Ion Transport Mechanism

DEFF Research Database (Denmark)

Aronsson, R.; Knape, H. E. G.; Lunden, A.

1983-01-01

Neutron and X-ray diffraction studies reveal that fcc Li//2SO//4, bcc LiNaSO//4, and bcc LiAgSO//4 are characterized by a strong rotational disorder of the sulfate ions which strongly enhances the mobility of the cations. Single crystal neutron scattering studies have been performed on fcc Li//2S...... of lithium ions in fcc Li//2SO//4 supports earlier conclusions from conductivity measurements.......Neutron and X-ray diffraction studies reveal that fcc Li//2SO//4, bcc LiNaSO//4, and bcc LiAgSO//4 are characterized by a strong rotational disorder of the sulfate ions which strongly enhances the mobility of the cations. Single crystal neutron scattering studies have been performed on fcc Li//2SO......//4 and the quasielastic scattering supports the previous conclusions, and more detailed information should be obtinable by this technique. The elastic constants of fcc Li//2SO//4 have been determined by Brillouin scattering. The information obtained so far by Raman scattering concerning the motion...

Thermodynamic assessment of the LiF-NaF-ThF4-UF4 system

International Nuclear Information System (INIS)

Benes, O.; Beilmann, M.; Konings, R.J.M.

2010-01-01

A thermodynamic assessment of the LiF-NaF-ThF 4 -UF 4 system is presented in this study. The binary phase diagrams are optimized based on the known experimental data and the excess Gibbs energies of liquid and solid solutions are described using a modified quasi chemical model and polynomial formalism respectively. The higher order systems are extrapolated according to asymmetric Toop mathematical formalism. Based on the developed thermodynamic database the fuel composition of the molten salt fast reactor is optimized. In total three different fuel compositions are identified. Properties of these fuel compositions such as melting point, vapour pressure and the boiling temperature are derived from the obtained thermodynamic assessment and are presented in this study.

Murmanite and lomonosovite as Ag-selective ionites: kinetics and products of ion exchange in aqueous AgNO3 solutions

Science.gov (United States)

Lykova, Inna S.; Chukanov, Nikita V.; Kazakov, Anatoliy I.; Tarasov, Viktor P.; Pekov, Igor V.; Yapaskurt, Vasiliy O.; Chervonnaya, Nadezhda A.

2013-09-01

Products and kinetics of ion exchange of heterophyllosilicate minerals lomonosovite and murmanite with aqueous AgNO3 solutions under low-temperature conditions have been studied using scanning electron microscopy, electron microprobe analysis, single-crystal X-ray diffraction, infrared spectroscopy, 23Na nuclear magnetic resonance spectroscopy and dynamic calorimetry. Both minerals show strong affinity for silver in cation exchange. Simplified formulae of Ag-exchanged forms of murmanite and lomonosovite are (Ag3.0Ca0.5Na0.5) (Ti,Nb,Mn,Fe)3.7-4 (Si2O7)2O4·4(H2O,OH) and (Ag8.2Na1.2Ca0.3) (Ti,Nb,Mn,Fe)3.9-4 (Si2O7)2 (PO4)1.9O4· xH2O, respectively. The reaction of ion exchange for murmanite follows the first-order kinetic model up to ca. 70-80 % conversion. The rate of the process is described by the equation k(h-1) = 107.64±0.60 exp[-(12.2 ± 0.9)·103/RT]. The average heat release value in the temperature range 39.4-72 °C is 230 J g-1. The cation exchange is limited by processes in solid state, most probably binding of silver.

Increase of ionic conductivity in the microporous lithosilicate RUB-29 by Na-ion exchange processes

International Nuclear Information System (INIS)

Park, S.-H.; Senyshyn, A.; Paulmann, C.

2007-01-01

The ionic conductivity in the zeolite-like lithosilicate RUB-29 (Cs 14 Li 24 [Li 18 Si 72 O 172 ].14H 2 O [S.-H. Park, J.B. Parise, H. Gies, H. Liu, C.P. Grey, B.H. Toby, J. Am. Chem. Soc. 122 (2000) 11023-11024]) increases via simple ion-exchange processes, in particular when Na cations replace a part of Cs + and Li + of the material. The resulting ionic conductivity value of 3.2x10 -3 S cm -1 at 885 K is about two orders higher than that for the original material [S.-H. Park, J.B. Parise, M.E. Franke, T. Seydel, C. Paulmann, Micropor. Mesopor. Mater., in print ( (doi:10.1016/j.micromeso.2007.03.040) available online since April 19, 2007)]. The structural basis of a Na + -exchanged RUB-29 sample (Na-RUB-29) at 673 K could be elucidated by means of neutron powder diffraction. Rietveld refinements confirmed the replacement of Na + for both parts of Cs and Li cations, agreeing with idealized cell content, Na 8 Cs 8 Li 40 Si 72 O 172 . As a result of the incorporation of Na + in large pores, the number of Li + vacancies in dense Li 2 O-layers of the structure could increase. This can be one of the main reasons for the improved conductivity in Na-RUB-29. In addition, mobile Na cations may also contribute to the conductivity in Na-RUB-29 as continuous scattering length densities were found around the sites for Na in difference Fourier map. - Graphical abstract: Li 2 O-layers formed by edge- and corner-sharing LiO 4 - and LiO 3 -moieties in the zeolite-like lithosilicate RUB-29 provide optimal pathways for conducting Li + . The number of empty Li sites in this layer-like configuration could increase via 'simple' Na + -exchange processes, promoting fast Li motions

Na-ion capacitor using sodium pre-doped hard carbon and activated carbon

International Nuclear Information System (INIS)

Kuratani, Kentaro; Yao, Masaru; Senoh, Hiroshi; Takeichi, Nobuhiko; Sakai, Tetsuo; Kiyobayashi, Tetsu

2012-01-01

We assembled a sodium-ion capacitor (Na-IC) by combining sodium pre-doped hard carbon (HC) as the negative- and activated carbon (AC) as the positive-electrode. The electrochemical properties were compared with two lithium-ion capacitors (Li-ICs) in which the negative electrodes were prepared with Li pre-doped HC and mesocarbon microbeads (MCMB). The positive and negative electrodes were prepared using the established doctor blade method. The negative electrodes were galvanostatically pre-doped with Na or Li to 80% of the full capacity of carbons. The potential of the negative electrodes after pre-doping was around 0.0 V vs. Na/Na + or Li/Li + , which resulted in the higher output potential difference of the Na-IC and Li-ICs than that of the conventional electrochemical double-layer capacitors (EDLCs) because AC positive electrode works in the same principle both in the ion capacitors and in the EDLC. The state-of-charge of the negative electrode varied 80 ± 10% during the electrochemical charging and discharging. The capacity of the cell was evaluated using galvanostatic charge–discharge measurement. At the discharge current density of 10 mA cm −2 , the Na-IC maintained 70% of the capacity that obtained at the current density of 0.5 mA cm −2 , which was comparable to the Li-ICs. At 50 mA cm −2 , the capacities of the Li-IC(MCMB) and the Na-IC dropped to 20% whereas the Li-IC(HC) retained 30% of the capacity observed at 0.5 mA cm −2 . The capacities of the Na-IC and Li-ICs decreased by 9% and 3%, respectively, after 1000 cycles of charging and discharging.

Análisis por activación neutrónica de Ag, Ca, Co, K, Mn, Na, P, Th y U en muestras geológicas del Perú

OpenAIRE

Tenorio de la Cruz, Favio; Cohen, Marcos

1982-01-01

Se ha realizado el análisis de Ag, Ca, Co, K, Mn, Na, P, Th y U empleando técnicas de activación neutrónica, en muestras minerales procedentes del Distrito de Macusani, Departamento de Puno, Perú. El procedimiento experimental consistió en la determinación de Ca, K, Mn, Na, Th y U en forma no destructiva, mediante una irradiación de 10 minutos con neutrones epitermicos y medición posterior de los productos de activación; Ag, Co y P fueron analizados irradiando las muestras durante 10 h en un ...

First analysis of AGS0, LT2 and E9 CABRI tests with the new SFR safety code ASTEC-Na

International Nuclear Information System (INIS)

Perez-Martin, Sara; Bandini, Giacomino; Matuzas, Vaidas; Buck, Michael; Girault, Nathalie

2015-01-01

Within the framework of the European JASMIN project, the ASTEC-Na code is being developed for safety analysis of severe accidents in SFR. In the first phase of validation of the ASTEC-Na fuel thermo-mechanical models three in-pile tests conducted in the CABRI experimental reactor have been selected to be analysed. We present here the preliminary results of the simulation of two Transient Over Power tests and one power ramp test (AGS0, LT2 and E9, respectively) where no pin failure occurred during the transient. We present the comparison of ASTEC-Na results against experimental data and other safety code results for the initial steady state conditions prior to the transient onset as well as for the fuel pin behaviour during the transients. (author)

Photocatalytic hydrogen generation with Ag-loaded LiNbO3

Indian Academy of Sciences (India)

Administrator

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

Ozone decomposition on Ag/SiO{sub 2} and Ag/clinoptilolite catalysts at ambient temperature

Energy Technology Data Exchange (ETDEWEB)

Nikolov, Penko, E-mail: penmail@mail.bg [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Genov, Krassimir; Konova, Petya [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Milenova, Katya; Batakliev, Todor; Georgiev, Vladimir [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Kumar, Narendra [Laboratory of Industrial Chemistry, Process Chemistry Centre, Abo Akademi University, Biskopsgatan 8, 20500 Abo/Turku (Finland); Sarker, Dipak K. [School of Pharmacy and Biomolecular Sciences, University of Brighton, Lewes Road, Brighton BN2 4GJ (United Kingdom); Pishev, Dimitar [University of Chemical Technology and Metallurgy, 1756 Sofia (Bulgaria); Rakovsky, Slavcho [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)

2010-12-15

Silver modified zeolite (Bulgarian natural clinoptilolite) and Ag/silica catalysts were synthesized by ion exchange and incipient wet impregnation method respectively and characterized by different techniques. DC arc-AES was used for Ag detection. XRD spectra show that Ag is loaded over the surface of the SiO{sub 2} sample and that after the ion-exchange process the HEU type structure of clinoptilolite is retained. UV-VIS (specific reflection at 310 nm) and IR (band at 695 cm{sup -1}) spectroscopy analysis proved that silver is loaded as a T-atom into zeolite channels as Ag{sup +}, instead of Na{sup +}, Ca{sup 2+}, or K{sup +} ions, existing in the natural clinoptilolite form. The samples Ag/SiO{sub 2} and Ag-clinoptilolite were tested as catalysts for decomposition of gas phase ozone. Very high catalytic activity (up to 99%) was observed and at the same time the catalysts remained active over time at room temperature.

Li3-xNaxV2(PO4)3 (0≤x≤3): Possible anode materials for rechargeable lithium-ion batteries

International Nuclear Information System (INIS)

Wang, Pengfei; Shao, Lianyi; Qian, Shangshu; Yi, Ting-Feng; Yu, Haoxiang; Yan, Lei; Li, Peng; Lin, Xiaoting; Shui, Miao; Shu, Jie

2016-01-01

Highlights: • Li 3-x Na x V 2 (PO 4 ) 3 (0 ≤ x ≤ 3) series are firstly evaluated as anode materials. • Li 3-x Na x V 2 (PO 4 ) 3 anodes show lithium storage activity in 1.0–3.0 V. • The lithium storage capability of different Li 3-x Na x V 2 (PO 4 ) 3 is compared. • Structural reversibility of Li 3-x Na x V 2 (PO 4 ) 3 is studied by in-situ XRD. - Abstract: In this paper, a series of Li 3-x Na x V 2 (PO 4 ) 3 (0 ≤ x ≤ 3) are prepared by a solid state reaction and systematically evaluated as anode materials for lithium-ion batteries. Structural analysis shows that the phase structure of Li 3-x Na x V 2 (PO 4 ) 3 changes along with the evolution of Na content. Charge-discharge tests exhibit that Li 3 V 2 (PO 4 ) 3 shows the highest initial charge specific capacity as high as 88.3 mAh g −1 among all the seven samples, and the reversible capacity is kept at 68.3 mAh g −1 after 45 cycles, corresponding to 77.3% of the initial charge capacity. With increasing of Na content in Li 3-x Na x V 2 (PO 4 ) 3 , the as-obtained sample show poorer lithium storage capability than Li 3 V 2 (PO 4 ) 3 . As a result, Na 3 V 2 (PO 4 ) 3 shows the inferior cycling performance than other Li 3-x Na x V 2 (PO 4 ) 3 . It can only deliver a reversible capacity of 20.9 mAh g −1 after 45 cycles, corresponding to 45.9% of the initial charge capacity. In-situ X-ray diffraction observations demonstrate that the poor electrochemical property of Na 3 V 2 (PO 4 ) 3 anode is due to the irreversible structural evolution during charge-discharge process. Therefore, reducing the Na 3 V 2 (PO 4 ) 3 phase in as-obtained sample is a feasible route to improve the lithium storage capability of Li 3-x Na x V 2 (PO 4 ) 3 .

Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.

Science.gov (United States)

Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S; Jing, Xiping

2015-11-07

Double molybdate scheelite-type solid-solution phosphors Li1-xAgxLu1-y(MoO4)2:yEu(3+) were synthesized by the solid state reaction method, and their crystal structures and luminescence properties were investigated in detail. The composition modulation and structural evolution of this series of samples were studied and the selected AgEu(MoO4)2, AgLu(MoO4)2, LiLu(MoO4)2 and LiEu(MoO4)2 phases were analyzed based on the Rietveld refinement. Depending on the variation of the Li/Ag ratio in Li1-xAgxLu1-y(MoO4)2:yEu(3+) phosphors, the difference in the luminescence properties of Li1-xAgxLu1-y(MoO4)2:yEu(3+) phosphors was ascribed to two factors, one reason could be assigned to the coupling effect and the nonradiative transition between the energy levels of LixAg1-xLu(MoO4)2 matrices and the activator Eu(3+), another could be due to the near ultraviolet energy absorption and transmission efficiency between the charge-transfer (CT) band of O(2-)-Mo(6+) and the 4f → 4f emissive transitions of Eu(3+). The ultraviolet-visible diffuse reflection spectra (UV-vis DRS) and Raman spectra analysis were also used to verify the above mechanism.

Silicene for Na-ion battery applications

KAUST Repository

Zhu, Jiajie

2016-08-19

Na-ion batteries are promising candidates to replace Li-ion batteries in large scale applications because of the advantages in natural abundance and cost of Na. Silicene has potential as the anode in Li-ion batteries but so far has not received attention with respect to Na-ion batteries. In this context, freestanding silicene, a graphene-silicene-graphene heterostructure, and a graphene-silicene superlattice are investigated for possible application in Na-ion batteries, using first-principles calculations. The calculated Na capacities of 954mAh/g for freestanding silicene and 730mAh/g for the graphenesilicene superlattice (10% biaxial tensile strain) are highly competitive and potentials of >0.3 V against the Na/Na potential exceed the corresponding value of graphite. In addition, the diffusion barriers are predicted to be <0.3 eV.

Silicon Framework Allotropes for Li-ion and Na-ion Batteries: New Insight for a Reversible Capacity.

Science.gov (United States)

Marzouk, Asma; Soto, Fernando; Burgos, Juan; Balbuena, Perla; El-Mellouhi, Fadwa

Silicon has the capacity to host a large amount of Li which makes it an attractive anode material despite suffering from swelling problem leading to irreversible capacity loss. The possibility of an easy extraction of Na atoms from Si24Na4 inspired us to adopt the Si24 as an anode material for Lithium-ion and sodium-ion Batteries. Using DFT, we evaluate the specific capacity and the intercalation potential of Si24 allotrope. Enhanced capacities are sought by designing a new silicon allotrope. We demonstrated that these Si24 allotropes show a negligible volume expansion and conserve their periodic structures after the maximum insertion/disinsertion of the ions which is crucial to prevent the capacity loss during cycling. DFT and ab-initio molecular dynamics (AIMD) studies give insights on the most probable surface adsorption and reaction sites, lithiation and sodiation, as well as initial stages of SEI formation and ionic diffusion. Qatar National Research Fund (QNRF) (NPRP 7-162-2-077).

Texturization of diamond-wire-sawn multicrystalline silicon wafer using Cu, Ag, or Ag/Cu as a metal catalyst

Science.gov (United States)

Wang, Shing-Dar; Chen, Ting-Wei

2018-06-01

In this work, Cu, Ag, or Ag/Cu was used as a metal catalyst to study the surface texturization of diamond-wire-sawn (DWS) multi-crystalline silicon (mc-Si) wafer by a metal-assisted chemical etching (MACE) method. The DWS wafer was first etched by standard HF-HNO3 acidic etching, and it was labeled as AE-DWS wafer. The effects of ratios of Cu(NO3)2:HF, AgNO3:HF, and AgNO3:Cu(NO3)2 on the morphology of AE-DWS wafer were investigated. After the process of MACE, the wafer was treated with a NaF/H2O2 solution. In this process, H2O2 etched the nanostructure, and NaF removed the oxidation layer. The Si {1 1 1} plane was revealed by etching the wafer in a mixture of 0.03 M Cu(NO3)2 and 1 M HF at 55 °C for 2.5 min. These parallel Si {1 1 1} planes replaced some parallel saw marks on the surface of AE-DWS wafers without forming a positive pyramid or an inverted pyramid structure. The main topography of the wafer is comprised of silicon nanowires grown in direction when Ag or Ag/Cu was used as a metal catalyst. When silicon is etched in a mixed solution of Cu(NO3)2, AgNO3, HF and H2O2 at 55 °C with a concentration ratio of [Cu2+]/[Ag+] of 50 or at 65 °C with a concentration ratio of [Cu2+]/[Ag+] of 33, a quasi-inverted pyramid structure can be obtained. The reflectivity of the AE-DWS wafers treated with MACE is lower than that of the multiwire-slurry-sawn (MWSS) mc-Si wafers treated with traditional HF + HNO3 etching.

Density functional study of electronic structure, elastic and optical properties of MNH2 (M=Li, Na, K, Rb)

International Nuclear Information System (INIS)

Babu, K Ramesh; Vaitheeswaran, G

2014-01-01

We report a systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH 2 , NaNH 2 , KNH 2 , and RbNH 2 . The ground state structural properties are calculated by using standard density functional theory, and also dispersion corrected density functional theory. We find that van der Waals interactions are dominant in LiNH 2 whereas they are relatively weak in other alkali metal amides. The calculated elastic constants show that all the compounds are mechanically stable and LiNH 2 is found to be a stiffer material among the alkali metal amides. The melting temperatures are calculated and follow the order RbNH 2 2 2 2 . The electronic band structure is calculated by using the Tran–Blaha modified Becke–Johnson potential and found that all the compounds are insulators, with a considerable band gap. The [NH 2 ] − derived states completely dominate in the entire valence band region while the metal atom states occupy the conduction band. The calculated band structure is used to analyze the different interband optical transitions occurring between valence and conduction bands. Our calculations show that these materials have considerable optical anisotropy. (paper)

Hydrothermal preparation of zeolite Li-A and ion exchange properties of Cs and Sr in salt waste

International Nuclear Information System (INIS)

Lee, S. H.; Kim, J. G.; Lee, J. H.; Kim, J. H.

2005-01-01

An advanced spent fuel management process that were based on Li reduction of the oxide spent fuel to a metallic form will generate a LiCl waste. Zeolite A has been reported as a promising immobilization medium for waste salt with CsCl and SrCl 2 . However, Sodium is accumulated as an ionic form (Na + -ion) in molten salt during ion exchange step between Na + -ion in zeolite A and Li + -ion in the molten salt. Therefore, zeolite Na-A need to be replaced by the Li-type zeolite for recycling the salt waste by removing the Cs and Sr ions. In this study, the hydrothermal preparation of zeolite Li-A was performed in 350ml pressure vessel by P. Norby method. The preparation characteristics of zeolite Li-A was investigated. And the ion exchange properties of Cs and Sr in molten LiCl salt were investigated under the condition of 923K using zeolite 4A and prepared zeolite Li-A

Na{sub 2}EDTA-assisted hydrothermal synthesis and electrochemical performance of LiFePO{sub 4} powders with rod-like and block-like morphologies

Energy Technology Data Exchange (ETDEWEB)

Wang, Juan, E-mail: juanwang168@gmail.com [Shaanxi Key Laboratory of Nanomaterials and Nanotechnology, Xi' an University of Architecture and Technology, Xi' an 710055 (China); Zheng, Siqi; Yan, Hao; Zhang, Haipeng [Shaanxi Key Laboratory of Nanomaterials and Nanotechnology, Xi' an University of Architecture and Technology, Xi' an 710055 (China); Hojamberdiev, Mirabbos [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama, Kanagawa 226-8503 (Japan); Ren, Bing; Xu, Yunhua [Shaanxi Key Laboratory of Nanomaterials and Nanotechnology, Xi' an University of Architecture and Technology, Xi' an 710055 (China)

2015-06-15

Nano and micro-sized LiFePO{sub 4} were synthesized by disodium ethylenediamine tetraacetate (Na{sub 2}EDTA) – assisted hydrothermal synthesis method with the pH of synthesizing solution in the range from 2 to 8. The as-synthesized samples were characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM) and electrochemical performance experiments. The obtained results showed that the pH of synthesizing solution played a key role in the formation of the final products with different morphologies, including rod-like and block-like structures and so on. The formation mechanism and the influence of Na{sub 2}EDTA on the morphology of LiFePO{sub 4} micro- and nanocrystals were investigated as a function of pH value. The results of electrochemical performance measurement revealed that the charge/discharge cycling characteristics of the samples were varied by tailoring their morphologies. Particularly, the block-like LiFePO{sub 4} particles with the average size of 200–600 nm present the highest initial discharge capacity of 141 mAh/g at 0.1C rate, and cycling stability of this sample is optimal among all the obtained products owing to its good diffusion properties. It also exhibits an excellent rate capability with high discharge capacities of more than 93.2 mAh/g at 5C after 80 cycles. The present study offers a simple way to synthesize and design high performance cathode materials for lithium-ion batteries by the methods of morphology control without carbon coating or doping with supervalent cations. - Highlights: • Nano and micro-sized LiFePO{sub 4} were synthesized by a hydrothermal synthesis method. • Effect of the pH of synthesizing solution on the formation of LiFePO{sub 4} was studied. • The block-like LiFePO{sub 4} particles present the highest initial discharge capacity. • The rate capability of the block-like LiFePO{sub 4} is more than 93.2 m

Band gap opening in silicene on MgBr2(0001) induced by Li and Na

KAUST Repository

Zhu, Jiajie

2014-11-12

Silicene consists of a monolayer of Si atoms in a buckled honeycomb structure and is expected to be well compatible with the current Si-based technology. However, the band gap is strongly influenced by the substrate. In this context, the structural and electronic properties of silicene on MgBr2(0001) modified by Li and Na are investigated by first-principles calculations. Charge transfer from silicene (substrate) to substrate (silicene) is found for substitutional doping (intercalation). As compared to a band gap of 0.01 eV on the pristine substrate, strongly enhanced band gaps of 0.65 eV (substitutional doping) and 0.24 eV (intercalation) are achieved. The band gap increases with the dopant concentration.

Optimization and calculation of the MCl-ZnCl2 (M = Li, Na, K) phase diagrams

International Nuclear Information System (INIS)

Romero-Serrano, Antonio; Hernandez-Ramirez, Aurelio; Cruz-Ramirez, Alejandro; Hallen-Lopez, Manuel; Zeifert, Beatriz

2010-01-01

An earlier structural model for binary silicate melts and glasses is extended to zinc chloride-alkali metal chloride systems. The evaluation of the available thermodynamic and phase diagrams data for the MCl-ZnCl 2 (M = Li, Na, K) binary systems have been carried out using the structural model for the liquid phase. This thermodynamic model is based on the assumption that each alkali chloride produces the depolymerization of ZnCl 2 network with a characteristic free-energy change. A least-squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously. In this manner, data for these binary systems have been analysed and represented with a small number of parameters.

The effect of Ag layer thickness on the properties of WO{sub 3}/Ag/MoO{sub 3} multilayer films as anode in organic light emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Zadsar, Mehdi, E-mail: mehdi_zadsar@yahoo.com [Physics Department, University of Isfahan, Isfahan (Iran, Islamic Republic of); Fallah, Hamid Reza; Mahmoodzadeh, Morteza Haji [Physics Department, University of Isfahan, Isfahan (Iran, Islamic Republic of); Quantum Optics Research Group, University of Isfahan, Isfahan (Iran, Islamic Republic of); Tabatabaei, Seyed Vahid [Physics Department, University of Isfahan, Isfahan (Iran, Islamic Republic of)

2012-04-15

Transparent conductive WO{sub 3}/Ag/MoO{sub 3} (WAM) multilayer electrodes were fabricated by thermal evaporation and the effects of Ag layer thickness on the optoelectronic and structural properties of multilayer electrode as anode in organic light emitting diodes (OLEDs) were investigated using different analytical methods. For Ag layers with thickness varying between 5 and 20 nm, the best WAM performances, high optical transmittance (81.7%, at around 550 nm), and low electrical sheet resistance (9.75 {Omega}/cm{sup 2}) were obtained for 15 nm thickness. Also, the WAM structure with 15 nm of Ag layer thickness has a very smooth surface with an RMS roughness of 0.37 nm, which is suitable for use as transparent conductive anode in OLEDs. The current density-voltage-luminance (J-V-L) characteristics measurement shows that the current density of WAM/PEDOT:PSS/TPD/Alq{sub 3}/LiF/Al organic diode increases with the increase in thickness of Ag and WO{sub 3}/Ag (15 nm)/MoO{sub 3} device exhibits a higher luminance intensity at lower voltage than ITO/PEDOT:PSS/TPD/Alq{sub 3}/LiF/Al control device. Furthermore, this device shows the highest power efficiency (0.31 lm/W) and current efficiency (1.2 cd/A) at the current density of 20 mA/cm{sup 2}, which is improved 58% and 41% compared with those of the ITO-based device, respectively. The lifetime of the WO{sub 3}/Ag (15 nm)/MoO{sub 3} device was measured to be 50 h at an initial luminance of 50 cd/m{sup 2}, which is five times longer than 10 h for ITO-based device. - Highlights: Black-Right-Pointing-Pointer Investigation of Ag thickness effect on the properties of WO{sub 3}/Ag/MoO{sub 3} films. Black-Right-Pointing-Pointer Electrical conductivity of multilayer films increases with increasing Ag thickness. Black-Right-Pointing-Pointer Optical transmittance increases by Ag thickness and at 15 nm, reaches 81.7%. Black-Right-Pointing-Pointer Power efficiency of WO{sub 3}/Ag (15 nm)/MoO{sub 3} based devices is higher than that of

Characterization of Al-Ti phases in cycled TiF3-enhanced Na2LiAlH6

International Nuclear Information System (INIS)

Nakamura, Y.; Fossdal, A.; Brinks, H.W.; Hauback, B.C.

2006-01-01

TiF 3 -enhanced Na 2 LiAlH 6 was investigated after dehydrogenation-hydrogenation cycles by synchrotron X-ray diffraction. There was no sign of Ti after ball-milling with TiF 3 , but two types of Al-Ti phases were observed in the cycled samples. In a sample after measuring five pressure-composition isotherms in the temperature range from 170 to 250 deg. C, a fcc phase with a = 3.987 A was observed. This phase is considered to be Al 3 Ti with the L1 2 structure. Samples after one or four cycles at selected temperatures between 170 and 250 deg. C showed diffraction from another fcc phase with a ∼ 4.03 A. This indicates formation of an Al 1-y Ti y solid-solution phase with y ∼ 0.15 similar to previously reported for cycled NaAlH 4 with Ti additives

Microwave dielectric properties of low-fired Li_2TiO_3–MgO ceramics for LTCC applications

International Nuclear Information System (INIS)

Ma, Jian-Li; Fu, Zhi-Fen; Liu, Peng; Wang, Bing; Li, Yang

2016-01-01

Graphical abstract: This figure gives the Q × f and τ_f of Li_2TiO_3–MgO ceramics sintered at various temperatures with different LiF contents. Addition of LiF enhanced the sinterability and optimized the microwave dielectric properties of Li_2TiO_3–MgO ceramics. The excellent microwave dielectric properties (ε_r = 15.8, Q × f = 64,500 GHz, and τ_f = −0.2 ppm/°C) of Li_2TiO_3–MgO ceramics sintered at 850 °C illustrated that LiF is a simple effective sintering aids for Li_2TiO_3–MgO ceramics. Such sample was compatible with Ag electrodes, suitable for the low-temperature co-fired ceramics (LTCC) applications. - Highlights: • Temperature stability of Li_2TiO_3 ceramics were improved by doping MgO. • The low-fired Li_2TiO_3–MgO ceramics are fabricated. • LiF liquid phase reduced sintering temperature of Li_2TiO_3–MgO ceramics to 850 °C. • The low-fired Li_2TiO_3–MgO ceramics possess well microwave dielectric properties. • The sample was compatible with Ag electrodes and suitable for LTCC applications. - Abstract: We fabricated the low-fired Li_2TiO_3–MgO ceramics doped with LiF by a conventional solid-state route, and investigated systematically their sintering characteristics, microstructures and microwave dielectric properties. The results showed that temperature stability of Li_2TiO_3 ceramics were improved by doping MgO. Well microwave dielectric properties for Li_2TiO_3–13 wt%MgO (LTM) ceramics with ε_r = 16.4, Q × f = 87,500 GHz, and τ_f = −1.2 ppm/°C were obtained at 1325 °C. Furthermore, addition of LiF enhanced the sinterability and optimized the microwave dielectric properties of LTM ceramics. A typically sample of LTM-4 wt%LiF ceramics with optimum dielectric properties (ε_r = 15.8, Q × f = 64,500 GHz, and τ_f = −0.2 ppm/°C) were achieved at 850 °C for 4 h. Such sample was compatible with Ag electrodes, suitable for the low-temperature co-fired ceramics (LTCC) applications.

High-temperature Brillouin scattering study of haplogranitic glasses and liquids: Effects of F, K, Na and Li on Tg and elastic properties

Science.gov (United States)

Manghnani, M. H.; Hushur, A.; Williams, Q. C.; Dingwell, D. B.

2010-12-01

The density, compressibility and viscosity of silicate melts are important in understanding the thermodynamic and fluid dynamic properties of magmatic systems. Knowledge of the compressibility of silicate melts at 1 bar is an important component in the construction of accurate pressure-volume-temperature equations of state. In light of this, the velocity (nVp, Vp, Vs) and refractive index n of four anhydrous haplogranitic glasses and liquids with similar alkali abundances, but different cations, are measured at high temperature by Brillouin scattering spectroscopy through the glass transition temperature (Tg) in both platelet and back scattering geometry. The compositions of four haplogranites are 5 wt% of the components Li2O, Na2O, K2O and F each added to a base of haplogranitic (HPG8) composition. The glass transition temperature Tg of different haplogranite samples at the GHz frequency of the Brillouin probe are determined from the change in slope of the temperature-dependent longitudinal or transverse sound velocity. HPG8-Li5 has the lowest glass transition temperature (466°C), while HPG8-K5 has the highest glass transition temperature (575°C). Our Brillouin results, when compared with DSC measurements, show lower Tg values. This raises the possibility of a role of either heating rates or a frequency dependence of the glass transition in explaining the discrepancies in Tg values derived from the two methods. The sound velocity (nVp, Vp, Vs) shows markedly different temperature dependences (including differences in sign) below Tg depending on their different alkali contents. The unrelaxed elastic moduli of three haplogranitic glasses with added Li2O, Na2O and F components have been obtained as a function of temperature. The unrelaxed bulk modulus, shear modulus and Poisson’s ratio show strong compositional dependences at ambient temperature. On heating, The K initially decreases with increasing temperature up to ~ 135°C, then increases up to Tg, and then

Core level photoelectron spectroscopy of LiGaS2 and Ga-S bonding in complex sulfides

International Nuclear Information System (INIS)

Atuchin, V.V.; Isaenko, L.I.; Kesler, V.G.; Lobanov, S.I.

2010-01-01

The electronic parameters of the lithium thiogallate LiGaS 2 have been evaluated by X-ray photoelectron spectroscopy (XPS). Spectral features of all constituent element core levels and Auger lines have been considered. The Ga-S bonding effects in Ga-bearing sulfide crystals have been discussed using binding energy difference Δ 2p (S-Ga) = BE(S 2p) - BE(Ga 3d) as a representative parameter to quantify the valence electron shift from gallium to sulfur atoms. The value Δ 2p (S-Ga) = 141.9 eV found for LiGaS 2 is very close to that evaluated for AgGaS 2 . This relation is an indicator of closely coincident ionicity of Ga-S bonds in LiGaS 2 and AgGaS 2 .

Emission spectra of alkali-metal (K,Na,Li)-He exciplexes in cold helium gas

International Nuclear Information System (INIS)

Enomoto, K.; Hirano, K.; Kumakura, M.; Takahashi, Y.; Yabuzaki, T.

2004-01-01

We have observed emission spectra of excimers and exciplexes composed of a light alkali-metal atom in the first excited state and 4 He atoms [K*He n (n=1-6), Na * He n (n=1-4), and Li * He n (n=1,2)] in cryogenic He gas (the temperature 2 K -1 . Differently from exciplexes with heavier alkali-metal atoms, the spectra for the different number of He atoms were well separated, so that their assignment could be made experimentally. Comparing with the spectra of K * He n , we found that the infrared emission spectrum of the K atom excited in liquid He was from K*He 6 . To confirm the assignment, we have also carried out ab initio calculation of adiabatic potential curves and peak positions of the emission spectra of the exciplexes

Nanostructured Ag-zeolite Composites as Luminescence-based Humidity Sensors

Science.gov (United States)

Dieu, Bjorn; Roeffaers, Maarten B.J.; Hofkens, Johan

2016-01-01

Small silver clusters confined inside zeolite matrices have recently emerged as a novel type of highly luminescent materials. Their emission has high external quantum efficiencies (EQE) and spans the whole visible spectrum. It has been recently reported that the UV excited luminescence of partially Li-exchanged sodium Linde type A zeolites [LTA(Na)] containing luminescent silver clusters can be controlled by adjusting the water content of the zeolite. These samples showed a dynamic change in their emission color from blue to green and yellow upon an increase of the hydration level of the zeolite, showing the great potential that these materials can have as luminescence-based humidity sensors at the macro and micro scale. Here, we describe the detailed procedure to fabricate a humidity sensor prototype using silver-exchanged zeolite composites. The sensor is produced by suspending the luminescent Ag-zeolites in an aqueous solution of polyethylenimine (PEI) to subsequently deposit a film of the material onto a quartz plate. The coated plate is subjected to several hydration/dehydration cycles to show the functionality of the sensing film. PMID:27911397

Si(Li)-NaI(Tl) sandwich detector array for measurements of trace radionuclides in soil samples

International Nuclear Information System (INIS)

Strauss, M.G.; Sherman, I.S.; Roche, C.T.; Pehl, R.H.

1986-01-01

An ultra-sensitive X/γ-ray detector system for assaying trace radioactivity in actinide contaminated soil and ash samples has been developed. The new system consists of an array of 6 large Si(Li) X-ray detectors sensitive on both faces and mounted on edge in a paddle-shaped cryostat with a 14 cm diameter Be window on each side. The paddle, with a sample of the soil placed at each window, is sandwiched between 2 large NaI(Tl) scintillators which suppress the γ background. With X-rays being measured simultaneously from soil in 2 sample holders and background reduced by 50% using anticoincidence, the sensitivity of this detector is 4 times higher than that of conventionally mounted Si(Li) detectors. A soil sample containing 50 pCi/g 239 Pu was measured in 5 min with an uncertainty of 1 and NpLsub(β1) X-ray peaks are resolved thus permitting measurement of trace Pu in the presence of 241 Am. This is the most sensitive and selective detector known for nondestructive assay of radioactivity in soil and other samples. (orig.)

Leakage current behavior in lead-free ferroelectric (K,Na)NbO3-LiTaO3-LiSbO3 thin films

Science.gov (United States)

Abazari, M.; Safari, A.

2010-12-01

Conduction mechanisms in epitaxial (001)-oriented pure and 1 mol % Mn-doped (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.1,Sb0.06)O3 (KNN-LT-LS) thin films on SrTiO3 substrate were investigated. Temperature dependence of leakage current density was measured as a function of applied electric field in the range of 200-380 K. It was shown that the different transport mechanisms dominate in pure and Mn-doped thin films. In pure (KNN-LT-LS) thin films, Poole-Frenkel emission was found to be responsible for the leakage, while Schottky emission was the dominant mechanism in Mn-doped thin films at higher electric fields. This is a remarkable yet clear indication of effect of 1 mol % Mn on the resistive behavior of such thin films.

Thermoluminescence study of Cu and Ag doped lithium tetraborate samples synthesized by water/solution assisted method

Energy Technology Data Exchange (ETDEWEB)

Thiyagarajan, S.; Kumar, S.; Vallejo, M.; Sosa, M. [Universidad de Guanajuato, Departamento de Ingenieria Fisica, 37150 Leon, Guanajuato (Mexico); Velusamy, J., E-mail: thiya93@gmail.com [Centro de Investigaciones en Optica, Apdo. Postal 1-948, Leon, Guanajuato (Mexico)

2016-10-15

In this paper lithium tetraborate (Li{sub 2}B{sub 4}O{sub 7}) was produced by water/solution assisted synthesis method. Transition metals, such as Cu and Ag were used to dope Li{sub 2}B{sub 4}O{sub 7} in order to enhance its thermoluminescent properties. The heating temperature parameters for synthesis were 750 degrees Celsius for 2 hours and 150 degrees Celsius for another 2 hours. The samples produced by water assisted method were doped at different doping percentage (0.08, 0.12, 0.5, 0.1 and 1%) of Cu and Ag. Pellets of samples were prepared and there were irradiated with different doses (58, 100, 500 and 945 mGy) by using and X-ray source. The characteristics of undoped and doped Li{sub 2}B-4O{sub 7} were determined by X-ray diffraction (XRD), scanning electron microscopy (Sem), photoluminescence and ultraviolet-visible spectroscopy. The chemical composition and their morphologies of the obtained Li{sub 2}B{sub 4}O{sub 7} and Li{sub 2}B{sub 4}O{sub 7}:Cu, Ag was confirmed by XRD and Sem results. The most intense peak of the XRD pattern of the lithium tetraborate sample was determined by comparing to the reference data and was found to have a tetragonal structure. The thermoluminescent glow curves of the pellets exposed to different doses exhibited a clear response to X-ray irradiation. Especially Li{sub 2}B{sub 4}O{sub 7}:Cu presented a good glow curve in all kind of doses. The experimental results showed that this could have good potential applications in radiation dosimetry. The order of kinetics (b), frequency factor (s) and activation energy (E) or the trapping parameters were calculated using peak shape method. (Author)

Manipulating the alkali metal charge compensation and tungsten oxide to continuously enhance the red fluorescence in (Li,Na,K)Ca(Mo,W)O4:Eu3+ solid solution compounds

Science.gov (United States)

Xie, Wei; Li, Jiaxin; Tian, Canxin; Wang, Zesong; Xie, Mubiao; Zou, Changwei; Sun, Guohuan; Kang, Fengwen

2018-02-01

When compared to other phosphors typically the blue and green phosphors, red phosphors, which can be used for white light-emitting diodes (wLEDs), always suffer from various problems such as higher cost, lower luminescence efficiency and bad thermal stability. And thus, great interests have been paid to how to enhance the red fluorescence intensity in the recent years. Here we report on a red-emitting solid solutions, (Li,Na,K)Ca(Mo,W)O4:Eu3+, which enable exhibiting continuous Eu3+ emission enhancement through manipulating the alkali metal ions and the relative content ratios between tungsten and molybdenum oxides. X-ray powder diffraction (XRD) has been employed to check the phase purity, and results show that all samples crystallize in a scheelite structure with space group of I41/a (No.88). A regular blue-shifting of XRD peaks, which indicates the increase of crystal plane spacing, appears as the alkali cationic radius increases from 0.92 Å (for Li), 1.18 Å (for Na) and to 1.38 Å (for K). Replacing Mo ion (0.41 Å) by W ion (0.42 Å) enables not only forming the solid solution compounds (Li,Na,K)Ca(Mo,W)O4:Eu3+, but also blue-shifting the XRD position. Similar to the XRD position shifting, our samples also exhibit the regular change in the photoluminescence (PL) spectra, in which the charge transfer (CT) band position as the alkali cationic radii increase from Li, Na and to K and further from Mo to W shows a continuous red-shifting behavior. As for the CT and Eu3+ intensity, our experimental results show that the alkali ion that corresponds to the maximum intensity is Li, and this intensity can be further enhanced by adding W. In coincidence with the change in the excitation spectral intensity, the continuous enhanced Eu3+ emission intensity can be observed up excitation at the CT band and Eu3+ lines. We have discussed the above CT band shifting and Eu3+ fluorescence enhancement and give a feasible mechanism profile that base on the energy transfer from CT

Mechanosynthesis of the ferroelectric materials Ba2ANb5O15 (A = K, Na, Li)

International Nuclear Information System (INIS)

Khachane, M.; Moure, A.; Elaatmani, M.; Zegzouti, A.; Daoud, M.; Castro, A.

2006-01-01

A novel mechanochemical activation route was applied in order to obtain the Ba 2 ANb 5 O 15 (A = K, Na, Li) ferroelectric materials. The evolution of the 4BaO 2 :A 2 CO 3 :5Nb 2 O 5 powder mixtures during mechanical treatment and subsequent annealings, was followed by X-ray powder diffraction (XRD), thermal analysis and scanning electron microscopy (SEM). The sought bronze-type phases were mechanosynthesized after 48 h of treatment in a planetary mill. Very crystalline phases can be obtained with very important decreases in the temperatures and reaction times as compared with the traditional ceramic method. Dense ceramics were processed from mechanosynthesized precursors at relative low temperature, by a conventional-sintering route, and their dielectric properties characterized

LiFePO_4_−_xN_y thin-film electrodes coated on carbon fiber-modified current collectors for pseudocapacitors

International Nuclear Information System (INIS)

Chiu, Kuo-Feng; Su, Shih-Hsuan; Leu, Hoang-Jyh; Huang, Wei-Chieh

2015-01-01

LiFePO_4_−_xN_y thin films were sputter-deposited on micron carbon fibers (MCFs) under a gas mixture of N_2/Ar/H_2 as electrode materials in pseudocapacitors. The MCFs were fabricated by thermal chemical vapor deposition on stainless steel substrates as current collectors. Various amounts of N_2 were introduced by controlling the flow ratios of N_2 to Ar/H_2. The LiFePO_4_−_xN_y thin films coated on the surfaces of MCFs were observed by field emission scanning electron microscopy. The electrochemical properties of the LiFePO_4_−_xN_y thin films were characterized using cyclic voltammetry and charge–discharge processes. The LiFePO_4_−_xN_y thin-film electrode deposited under the optimal N_2 contents exhibited a high specific capacitance of 722 F/g at 1 A/g. Even at a current of 20 A/g, the electrode delivered a capacitance of 298 F/g. The pseudocapacitors using LiFePO_4_−_xN_y thin-film electrodes showed no significant capacitance fading after 1000 cycles at 1 A/g. The results indicated that nitrogen doping improved the electrochemical performances of LiFePO_4, demonstrating the potential of LiFePO_4_−_xN_y as an active material in pseudocapacitors. - Highlights: • LiFePO_4_−_xN_y thin films were sputter-deposited on micron carbon fibers (MCFs). • MCFs only act as a three-dimensional current collector in this system. • The pseudocapacitor exhibits a high specific capacitance.

Studies on structure and covalence effects on hyperfine interactions of AFeO sub(2) and BFeS sub(2) compounds by Moessbauer spectroscopy (A= Na, Cu, Ag, B= K, Rb, Cs, Na)

International Nuclear Information System (INIS)

Taft, C.A.

1975-01-01

The compounds AFeO sub(2) and BFeS sub(2) (A = Na, Cu, Ag, B = K, Rb, Cs, Na) were investigated by Moessbauer spectroscopy. The spectra were registered at temperature range from 4.2 sup(0) to 300 sup(0)K and magnetic transitions were observed determining correspondent temperatures by variation of hyperfine field. The electric field gradient of these compounds and perovskite type compounds (Pb sub(1-x) - Ba sub(x)) Zr O sub(3) were calculated and experimental part were determined by perturbed angular correlation, taking in account the effects of covalence, crystal lattice parameters and dipolar contributions. (M.C.K.)

Peculiar Li-storage mechanism at graphene edges in turbostratic carbon black and their application in high energy Li-ion capacitor

Science.gov (United States)

Anothumakkool, Bihag; Dupré, Nicolas; Moreau, Philippe; Guyomard, Dominique; Brousse, Thierry; Gaubicher, Joel

2018-02-01

We report experimental evidence for the specific Li-storage at turbostratic graphene edges of a well-known and cheap Super P® carbon black (Csp) material, which is usually used as a conductive additive in composite electrodes. Indeed, operando XRD and HR-TEM consistently demonstrate Li insertion occurs with zero expansion of graphene layer up to a composition of Li0.4C6 (150 mA h/g) that is reached at 0.01 V vs. Li+/Li. 7Li NMR substantiates these results and suggests that the weak electronic transfer from the carbon host to the intercalant could help local reorganization of the layer order as suggested by the unexpected reversible changes of the (002) Bragg peak intensity during the charge-discharge process. Our observations also indicate this insertion mechanism is kinetically favored resulting in remarkable cycling stability over 1000 cycles and power capability allowing to sustain 110 mA h/g at 8 A/g (21 C) in half cell. The capability of Csp as an efficient anode is ultimately demonstrated in a lithium hybrid capacitor against a positive electrode of activated carbon. The full cell delivers a maximum energy of 120 Wh/kg (4.3-2 V) and remarkable capacity retention over 1800 cycles.

Effects of Er{sup 3+} and Yb{sup 3+} doping on structural and non-linear optical properties of LiNaSO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Palmero, I.C. [Departamento de Fisica Basica, Electronica y Sistemas, Universidad de La Laguna, E-38200, San Cristobal de la Laguna, Santa Cruz de Tenerife (Spain); Gonzalez-Silgo, C. [Departamento de Fisica Fundamental II, Electronica y Sistemas, Universidad de La Laguna, E-38200, San Cristobal de la Laguna, Santa Cruz de Tenerife (Spain); Torres, M.E. [Departamento de Fisica Basica, Electronica y Sistemas, Universidad de La Laguna, E-38200, San Cristobal de la Laguna, Santa Cruz de Tenerife (Spain); Marrero-Lopez, D. [Departamento de Quimica Inorganica, Electronica y Sistemas, Universidad de La Laguna, E-38200, San Cristobal de la Laguna, Santa Cruz de Tenerife (Spain); Rivera-Lopez, Fernando [Departamento de Fisica Fundamental y Experimental, Electronica y Sistemas, Universidad de La Laguna, E-38200, San Cristobal de la Laguna, Santa Cruz de Tenerife (Spain)], E-mail: frivera@ull.es; Haro-Gonzalez, P. [Departamento de Fisica Fundamental y Experimental, Electronica y Sistemas, Universidad de La Laguna, E-38200, San Cristobal de la Laguna, Santa Cruz de Tenerife (Spain); Solans, X. [Departament de Cristallografia, Universitat de Barcelona, E-08028, Barcelona (Spain)

2008-05-15

We have characterized LiNaSO{sub 4} crystals doped with rare earth (RE) (Er{sup 3+} and Yb{sup 3+}) to give new insights about their structural properties relations. The samples were analyzed by X-ray single crystal diffraction and differential thermal analysis. The non-centrosymmetry was confirmed second-harmonic generation. Inductively coupled plasma (ICP) and emission experiments confirmed the nominal concentrations of the REs. Crystallographic data and two empirical models were employed to understand the structural modifications by substitution of the Na site which reduces, monotonically, the non-linear optical coefficients and the temperature of the phase transition in these crystals.

Crystal structure and thermal stability of AgIn(MoO4)2

International Nuclear Information System (INIS)

Klevtsov, P.V.; Solodovnikov, S.F.; Perepelitsa, A.P.; Klevtsova, R.F.

1984-01-01

Tetragonal crystals of double molybdate AgIn(MoO 4 ) 2 are prepared bi crystallization from solution in Ag 2 Mo 2 O 7 melt (a=4.998, c=36.725 A, space group I4 1 , Z=6). Its crystal structure is determined (autodaffractometer ''Syntex P2 1 '', MoKsub(α)-radiation, 876 reflections, R=0.054) in which along with Mo-tetrahedrons Mo-octahedrons are present. By mutual edges latter are united into bands forming fragments of wolframite structure alonside with (In, Ag) octahedrons. In the direction of c axis wolframite fragments alternate with scheelite fragments consisting of Mo-tetrahedrons and Ag-octavertices. The crystallochemical formula of the compound is Ag(Insub(0.75)Agsub(0.25))sub(2)Mosub(2)Osub(8) [MoO 4 ]. At a temperature of about 600 deq C AgIn-molybdate transforms into modification with NaIn(MoO 4 ) 2 structure NaIn(MoO 4 ) 2 and melts at 650 deg C decomposing into In 2 (MoO 4 ) 3 solid phase and Ag 2 MoO 4 melt

In Situ Synthesis of MnS Hollow Microspheres on Reduced Graphene Oxide Sheets as High-Capacity and Long-Life Anodes for Li- and Na-Ion Batteries.

Science.gov (United States)

Xu, Xijun; Ji, Shaomin; Gu, Mingzhe; Liu, Jun

2015-09-23

Uniform MnS hollow microspheres in situ crystallized on reduced graphene oxide (RGO) nanosheets via a facile hydrothermal method. The MnS/RGO composite material was used as the anode for Na-ion batteries for the first time and exhibited excellent cycling performance, superior specific capacity, and great cycle stability and rate capability for both Li- and Na-ion batteries. Compared with nonencapsulated pure MnS hollow microspheres, these MnS/RGO nanocomposites demonstrated excellent charge-discharge stability and long cycle life. Li-ion storage testing revealed that these MnS/RGO nanocomposites deliver high discharge-charge capacities of 640 mAh g(-1) at 1.0 A g(-1) after 400 cycles and 830 mAh g(-1) at 0.5 A g(-1) after 100 cycles. The MnS/RGO nanocomposites even retained a specific capacity of 308 mAh g(-1) at a current density of 0.1 A g(-1) after 125 cycles as the anode for Na-ion batteries. The outstanding electrochemical performance of the MnS/RGO composite attributed to the RGO nanosheets greatly improved the electronic conductivity and efficiently mitigated the stupendous volume expansion during the progress of charge and discharge.

Immobilized Pd-Ag bimetallic nanoparticles on polymeric nanofibers as an effective catalyst: effective loading of Ag with bimetallic functionality through Pd nucleated nanofibers

Science.gov (United States)

Shanmugam Ranjith, Kugalur; Celebioglu, Asli; Uyar, Tamer

2018-06-01

Here, we present a precise process for synthesizing Pd-Ag bimetallic nanoparticles (NPs) onto polymeric nanofibers by decorating Pd-NPs through atomic layer deposition followed by a chemical reduction process for tagging Ag nanostructures with bimetallic functionality. The results show that Pd-NPs act as a nucleation platform for tagging Ag and form Pd-Ag bimetallic NPs with a monodisperse nature with significant catalytic enhancement to the reaction rate over the bimetallic nature of the Pd-Ag ratio. A Pd-NP decorated polymeric nanofibrous web acts as an excellent platform for the encapsulation or interaction of Ag, which prevents agglomeration and promotes the interaction of Ag ions only on the surface of the Pd-NPs. We observed an effective reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) by sodium borohydride (NaBH4) to access the catalytic activity of Pd-Ag bimetallic NPs on a free-standing flexible polymeric nanofibrous web as a support. The captive formation of the polymeric nanofibrous web with Pd-Ag bimetallic functionality exhibited superior and stable catalytic performance with reduction rates of 0.0719, 0.1520, and 0.0871 min‑1 for different loadings of Ag on Pd decorated nanofibrous webs such as Pd/Ag(0.01), Pd/Ag(0.03), and Pd/Ag(0.05), respectively. The highly faceted Pd-Ag NPs with an immobilized nature improves the catalytic functionality by enhancing the binding energy of the 4-NP adsorbate to the surface of the NPs. With the aid of bimetallic functionality, the nanofibrous web was demonstrated as a hybrid heterogeneous photocatalyst with a 3.16-fold enhancement in the reaction rate as compared with the monometallic decorative nature of NaBH4 as a reducing agent. The effective role of the monodisperse nature of Pd ions with an ultralow content as low as 3 wt% and the tunable ratio of Ag on the nanofibrous web induced effective catalytic activity over multiple cycles.

Optimization and calculation of the MCl-ZnCl{sub 2} (M = Li, Na, K) phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Romero-Serrano, Antonio, E-mail: romeroipn@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Hernandez-Ramirez, Aurelio, E-mail: aurelioh@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Cruz-Ramirez, Alejandro, E-mail: alcruzr@ipn.mx [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Hallen-Lopez, Manuel, E-mail: j_hallen@yahoo.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Zeifert, Beatriz, E-mail: bzeifert@yahoo.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico)

2010-10-20

An earlier structural model for binary silicate melts and glasses is extended to zinc chloride-alkali metal chloride systems. The evaluation of the available thermodynamic and phase diagrams data for the MCl-ZnCl{sub 2} (M = Li, Na, K) binary systems have been carried out using the structural model for the liquid phase. This thermodynamic model is based on the assumption that each alkali chloride produces the depolymerization of ZnCl{sub 2} network with a characteristic free-energy change. A least-squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously. In this manner, data for these binary systems have been analysed and represented with a small number of parameters.

Physical properties of the eutectic NaF-LiF-LaF3 melt ionic liquid system

Directory of Open Access Journals (Sweden)

Yu. O. Plevachuk

2012-06-01

Full Text Available Results of experimental studies on electrical conductivity, viscosity and thermo-electromotive force temperature dependencies of eutectic NaF-LiF-LaF3 melt ionic liquid mixture in the temperature range of (580 ÷ 800 °C are presented. It has been found, that at the temperature of (675 ± 5 °C the ionic mixture thermo-electromotive force changes its sing to reverse, with this change being correlated with viscosity temperature dependence type readjustment occurring at the same temperature. It has been shown that the maximum value of liquid ionic mixture electrical conductivity is achieved at the temperature of (750 ± 5 °C. Obtained results could help in the molten salt reactor blanket design.

Electrochemical synthesis of birnessite-type layered manganese oxides for rechargeable lithium batteries

Science.gov (United States)

Nakayama, Masaharu; Kanaya, Taku; Lee, Jong-Won; Popov, Branko N.

Layered manganese dioxide (MnO 2) films intercalated with Li +, Na + or Mg 2+ ions were synthesized by a one-step electrochemical method. The electrodeposition was potentiostatically performed by applying an anodic potential of 1.0 V vs. Ag/AgCl in an aqueous MnSO 4 solution containing a perchlorate salt of the cation. The electrodeposited oxide films have a birnessite-type layered structure with alkali cations and water molecules between manganese oxide layers. The galvanostatic charge-discharge experiments performed in 1 M LiPF 6-DME/PC solution indicated that the Mg 2+-intercalated MnO 2 electrode exhibits an initial discharge capacity as large as 140 mAh g -1 and it shows a better capacity retention during cycling as compared with the Li +- or Na +-intercalated MnO 2 electrode.

Detector for the FSD Fourier-diffractometer based on ZnS(Ag)/6LiF scintillation screen and wavelength shifting fibers readout

International Nuclear Information System (INIS)

Kuz'min, E.S.; Balagurov, A.M.; Bokuchava, G.D.; Zhuk, V.V.; Kudryashev, V.A.; Bulkin, A.P.; Trunov, V.A.

2001-01-01

At the IBR-2 pulsed reactor (FLNP, JINR, Dubna), a specialized time-of-flight instrument Fourier-Stress-Diffractometer (FSD) intended for the measurement of internal stresses in bulk samples by using high-resolution neutron diffraction is under construction. One of the main components of the diffractometer is a new-type detector with combined electronic - geometrical focusing uniting a large solid angle and a small geometry contribution to the instrumental resolution. The first two modules of the detector, based on scintillation screen ZnS(Ag)/ 6 LiF with wavelength shifting fibers readout have been developed and tested. The design of the detector and associated electronics are described. The method of time focusing surface approximation, using the screen flexibility is proposed. Characteristics of the tested modules in comparison with a detector of the previous generation are presented and advantages of the new detector design for high-resolution diffractometry are discussed

Comparison of phase composition, morphology and electrochemical property for Li3−xNaxV2(PO4)3 (x=0.5, 1.5 and 2.0) as lithium storage cathode materials

International Nuclear Information System (INIS)

Mao, Jinli; Shao, Lianyi; Li, Peng; Lin, Xiaoting; Shui, Miao; Long, Nengbing; Shu, Jie

2015-01-01

Graphical abstract: Display Omitted -- Highlights: •Li 3−x Na x V 2 (PO 4 ) 3 is prepared by a solid-state reaction method. •Li 2.5 Na 0.5 V 2 (PO 4 ) 3 is a three-phase mixture. •Both Li 1.5 Na 1.5 V 2 (PO 4 ) 3 and LiNa 2 V 2 (PO 4 ) 3 are two-phase composite. •Lithium ion diffusion coefficient is detected by cyclic voltammetry. •Structural change of LiNa 2 V 2 (PO 4 ) 3 is observed by in-situ XRD. -- Abstract: Three Li 3-x Na x V 2 (PO 4 ) 3 (x=0.5, 1.5 and 2.0) samples are synthesized by a traditional solid-state reaction method in this work. Their phase composition, surface morphology and electrochemical property are described and compared by using various physical/chemical methods. Phase analysis results reveal that Li 2.5 Na 0.5 V 2 (PO 4 ) 3 consists of monoclinic Li 3 V 2 (PO 4 ) 3 , rhombohedral Li 3 V 2 (PO 4 ) 3 and rhombohedral Na 3 V 2 (PO 4 ) 3. While, both Li 1.5 Na 1.5 V 2 (PO 4 ) 3 and LiNa 2 V 2 (PO 4 ) 3 are the two-phase mixture consisted of rhombohedral Li 3 V 2 (PO 4 ) 3 and rhombohedral Na 3 V 2 (PO 4 ) 3 . Electrochemical testing results reveal that LiNa 2 V 2 (PO 4 ) 3 and Li 1.5 Na 1.5 V 2 (PO 4 ) 3 can deliver the initial discharge capacities of 101.4 mAh g −1 and 108.6 mAh g −1 with a long potential plateau at 3.69 V, respectively. In contrast, Li 2.5 Na 0.5 V 2 (PO 4 ) 3 presents an initial discharge capacity of 111.7 mAh g −1 with four potential plateaus. High lithium ion diffusion coefficient in Li 2.5 Na 0.5 V 2 (PO 4 ) 3 indicates that the existence of monoclinic Li 3 V 2 (PO 4 ) 3 phase can improve the ionic conductivity and then be responsible for good electrochemical performance. Besides, in-situ X-ray diffraction observation of LiNa 2 V 2 (PO 4 ) 3 demonstrates that the phase transition is not fully reversible but quasi-reversible during the lithiation-delithiation process. The partial irreversibility of structural evolution for LiNa 2 V 2 (PO 4 ) 3 induces the capacity loss upon repeated cycles

Core level photoelectron spectroscopy of LiGaS{sub 2} and Ga-S bonding in complex sulfides

Energy Technology Data Exchange (ETDEWEB)

Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.r [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, 13, Lavrentieva Ave., Novosibirsk 90, 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Bases of Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Lobanov, S.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

2010-05-14

The electronic parameters of the lithium thiogallate LiGaS{sub 2} have been evaluated by X-ray photoelectron spectroscopy (XPS). Spectral features of all constituent element core levels and Auger lines have been considered. The Ga-S bonding effects in Ga-bearing sulfide crystals have been discussed using binding energy difference {Delta}{sub 2p}(S-Ga) = BE(S 2p) - BE(Ga 3d) as a representative parameter to quantify the valence electron shift from gallium to sulfur atoms. The value {Delta}{sub 2p}(S-Ga) = 141.9 eV found for LiGaS{sub 2} is very close to that evaluated for AgGaS{sub 2}. This relation is an indicator of closely coincident ionicity of Ga-S bonds in LiGaS{sub 2} and AgGaS{sub 2}.

Half-Heusler compounds with a 1 eV (1.7 eV) direct band gap, lattice-matched to GaAs (Si), for solar cell application: A first-principles study

KAUST Repository

Belmiloud, N.; Boutaiba, F.; Belabbes, Abderrezak; Ferhat, M.; Bechstedt, F.

2016-01-01

-Heusler compounds ScAgC, YCuC, CaZnC, NaAgO, and LiCuS are studied by density functional theory for potential applications in multi-junction solar cells. The calculated formation enthalpies indicate that these materials are thermodynamically stable. Using state

The phase transformation and crystallization kinetics of (1 - x)Li{sub 2}O-xNa{sub 2}O-Al{sub 2}O{sub 3}-4SiO{sub 2} glasses

Energy Technology Data Exchange (ETDEWEB)

Wang, Moo-Chin [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Li, Wang-Long [Institute of Nanotechnology and Microsystems Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Cheng, Chih-Wei [Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Chang, Kuo-Ming; Chen, Yong-Feng [Department of Electrical Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Hsi, Chi-Shiung, E-mail: chsi@nuu.edu.tw [Department of Materials Science and Engineering, National United University, 1 Lein-Da, Kung-Ching Li, Miaoli 36003, Taiwan (China)

2010-09-01

The phase transformation and crystallization kinetics of (1 - x)Li{sub 2}O-xNa{sub 2}O-Al{sub 2}O{sub 3}-4SiO{sub 2} glasses have been studied by using differential thermal analysis (DTA), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron diffraction (ED) analysis. The crystallization temperature at the exothermic peak increases from 1171 to 1212 K when the Na{sub 2}O content increases from 0 to 0.6 mol. The crystalline phase is composed of spodumene crystallization when the Na{sub 2}O content increases from 0 to 0.6 mol. The activation energy of spodumene crystallization decreases from 444.0 {+-} 22.2 to 284.0 {+-} 10.8 kJ mol{sup -1} when the Na{sub 2}O content increases from 0 to 0.4 mol. Moreover, the activation energy increases from 284.0 {+-} 10.8 to 446.0 {+-} 23.2 kJ mol{sup -1} when the Na{sub 2}O content increases from 0.4 to 0.6 mol. The crystallization parameters m and n approach 2, indicating that the surface nucleation and two-dimensional growth are dominant in (1 - x)Li{sub 2}O-xNa{sub 2}O-Al{sub 2}O{sub 3}-4SiO{sub 2} glasses.

First-principles calculation of the effects of Li-doping on the structure and piezoelectricity of (K0.5Na0.5)NbO3 lead-free ceramics.

Science.gov (United States)

Yang, D; Wei, L L; Chao, X L; Yang, Z P; Zhou, X Y

2016-03-21

The crystal structures of the lead-free piezoelectric ceramics (K0.5Na0.5)NbO3 and (K0.5Na0.5)0.94Li0.06NbO3 prepared by a solid-state method were investigated using first-principles calculations. The calculated values of piezoelectricity were in good agreement with the experimental data. We found that the primary contribution to piezoelectricity in this material comes from the hybridization of the O 2p and Nb 4d orbitals, which causes a change in the Nb-O bond length and the distortion of the Nb-O octahedral structure. Analysis of the band structure and the total density of states revealed that Li-doped (K0.5Na0.5)NbO3 enhances hybridization of the O 2p and Nb 4d orbitals. This hybridization enhancement further reduces the Nb-O1 bond length and enhances the distortion of the Nb-O octahedron along the [001] direction, which may be the main reason for the improvement of the piezoelectric properties. In addition, the piezoelectric coefficients are calculated here, which show the same trend as the experimental results.

Structural Defects of Silver Hollandite, Ag(x)Mn8O(y), Nanorods: Dramatic Impact on Electrochemistry.

Science.gov (United States)

Wu, Lijun; Xu, Feng; Zhu, Yimei; Brady, Alexander B; Huang, Jianping; Durham, Jessica L; Dooryhee, Eric; Marschilok, Amy C; Takeuchi, Esther S; Takeuchi, Kenneth J

2015-08-25

Hollandites (OMS-2) are an intriguing class of sorbents, catalysts, and energy storage materials with a tunnel structure permitting one-dimensional insertion and deinsertion of ions and small molecules along the c direction. A 7-fold increase in delivered capacity for Li/AgxMn8O16 electrochemical cells (160 versus 23 mAh/g) observed upon a seemingly small change in silver content (x ∼1.1 (L-Ag-OMS-2) and 1.6 (H-Ag-OMS-2)) led us to characterize the structure and defects of the silver hollandite material. Herein, Ag hollandite nanorods are studied through the combined use of local (atomic imaging, electron diffraction, electron energy-loss spectroscopy) and bulk (synchrotron based X-ray diffraction, thermogravimetric analysis) techniques. Selected area diffraction and high resolution transmission electron microscopy show a structure consistent with that refined by XRD; however, the Ag occupancy varies significantly even within neighboring channels. Both local and bulk measurements indicate a greater quantity of oxygen vacancies in L-Ag-OMS-2, resulting in lower average Mn valence relative to H-Ag-OMS-2. Electron energy loss spectroscopy shows a lower Mn oxidation state on the surface relative to the interior of the nanorods, where the average Mn valence is approximately Mn(3.7+) for H-Ag-OMS-2 and Mn(3.5+) for L-Ag-OMS-2 nanorods, respectively. The higher delivered capacity of L-Ag-OMS-2 may be related to more oxygen vacancies compared to H-Ag-OMS-2. Thus, the oxygen vacancies and MnO6 octahedra distortion are assumed to open the MnO6 octahedra walls, facilitating Li diffusion in the ab plane. These results indicate crystallite size and surface defects are significant factors affecting battery performance.

Green Synthesis of AgNPs Stabilized with biowaste and their antimicrobial activities

Directory of Open Access Journals (Sweden)

Nakuleshwar Dut Jasuja

2014-12-01

Full Text Available In the present study, rapid reduction and stabilization of Ag+ ions with different NaOH molar concentration (0.5 mM, 1.0 mM and 1.5 mM has been carried out in the aqueous solution of silver nitrate by the bio waste peel extract of P.granatum. Generally, chemical methods used for the synthesis of AgNPs are quite toxic, flammable and have adverse effect in medical application but green synthesis is a better option due to eco-friendliness, non-toxicity and safe for human. Stable AgNPs were synthesized by treating 90 mL aqueous solution of 2 mM AgNO3 with the 5 mL plant peels extract (0.4% w/v at different NaOH concentration (5 mL. The synthesized AgNPs were characterized by UV-Vis spectroscopy, TEM and SEM. Further, antimicrobial activities of AgNPs were performed on Gram positive i.e. Staphylococcus aureus, Bacillus subtilius and Gram negative i.e. E. coli, Pseudomonas aeruginosa bacteria. The AgNPs synthesized at 1.5 mM NaOH concentration had shown maximum zone of inhibition (ZOI i.e. 49 ± 0.64 in E. coli, whereas Pseudomonas aeruginosa, Staphylococcus aureus and Bacillus subtilius had shown 40 ± 0.29 mm, 28 ± 0.13 and 42 ± 0.49 mm ZOI respectively. The MIC value of 30 g/mL observed for E. coli Whereas, Staphylococcus aureus, Bacillus subtilius and Pseudomonas aeruginosa had shown 45 µg/mL, 38 µg/mL, 35 µg/mL respectively. The study revealed that AgNPs had shown significant antimicrobial activity as compared to Streptomycin.

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-09-01

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

Acid leaching of mixed spent Li-ion batteries

Directory of Open Access Journals (Sweden)

A.A. Nayl

2017-05-01

Full Text Available Acid leaching for different types of mixed spent Li-ion mobile batteries is carried out after alkali decomposition using NH4OH followed by H2SO4 + H2O2 leaching. In the alkali decomposition step, the effects of reaction time, NH4OH concentration, liquid/solid mass ratio and reaction temperature on the decomposition process are investigated to remove Al, Cu, Mn, Ni, Co, and Li. After alkaline treatment, the alkali paste is treated to leach the remaining metals using H2SO4 + H2O2. The significant effects of reaction time, acid concentration, H2O2 concentration, liquid/solid mass ratios and reaction temperature on the leaching rate are studied. More than 97% of Al, Mn, Ni, Co, and Li and about 65% Cu are leached in two stages. Kinetic analysis shows that, the data fit with chemical reaction control mechanism and the activation energies for the investigated metals using the Arrhenius equation ranged from 30.1 to 41.4 kJ/mol. Recovered metals are precipitated from the leaching liquor at varying pH values using NaOH solution and Na2CO3. Firstly, Mn is precipitated as MnCO3 at pH = 7.5. Secondly, at pH = 9.0, nickel is precipitated as NiCO3. Thirdly, as the pH of the leaching liquor reaches 11–12, Co(OH2 is precipitated and the remaining Li is readily precipitated as Li2CO3 using a saturated Na2CO3 solution. Based on the experimental data, a flow sheet is developed and tested for the recovery process.

Thermoluminescence of gamma rays irradiated LiF nanocubes doped with different elements

Energy Technology Data Exchange (ETDEWEB)

Salah, Numan, E-mail: nsalah@kau.edu.sa [Center of Nanotechnology, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Alharbi, Najlaa D. [Center of Nanotechnology, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Sciences Faculty for Girls, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Habib, Sami S. [Department of Aeronautical Engineering, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

2015-05-15

Lithium fluoride (LiF) doped with proper activator is a highly sensitive phosphor, widely used as a dosimeter for ionizing radiations. This work reports on the thermoluminesence (TL) response of LiF nanocubes doped with different impurities. These nanocubes were synthesized by the co-precipitation method and characterized by different techniques. The dopants used in this study are Eu, Tb, Dy, Cu and Ag. The gamma radiation induced TL glow peaks are located in the temperature range 120–125 °C. These samples have different TL sensitivities, where Eu doped one is found to be the most TL sensitive. Further irradiations in the dose range from 10 Gy to 30 kGy were performed to LiF:Eu and the obtained result is explained using a proposed multilevel TL model. According to this model, Eu dopant (in Eu{sup 3+} ionic form) could induce shallow and deep electron traps in the host of LiF nanocubes. These traps differ in their response according to the doses. The optimum concentration of Eu ions in LiF host is found to be 0.2 mol%. It is also found that LiF nanocubes are thermally stable in the range of 30–400 °C with a single phase. This property along with the good sensitivity of Eu doped one makes this tissue equivalent nanomaterial a proper candidate for heavy dose measurement like swift heavy ions used in radiotherapy. - Highlights: • Nanocubes of pure and doped LiF were produced by the co-precipitation method. • They were doped with Eu, Tb, Dy, Cu and Ag and studied for their TL response. • The gamma radiation induced TL glow peaks are located in the range 120–125 °C. • The Eu doped one is found to be the most TL sensitive, followed by Tb. • The tissue equivalent LiF:Eu nanocubes might be useful for heavy dose measurement.

Thermoluminescence of gamma rays irradiated LiF nanocubes doped with different elements

International Nuclear Information System (INIS)

Salah, Numan; Alharbi, Najlaa D.; Habib, Sami S.

2015-01-01

Lithium fluoride (LiF) doped with proper activator is a highly sensitive phosphor, widely used as a dosimeter for ionizing radiations. This work reports on the thermoluminesence (TL) response of LiF nanocubes doped with different impurities. These nanocubes were synthesized by the co-precipitation method and characterized by different techniques. The dopants used in this study are Eu, Tb, Dy, Cu and Ag. The gamma radiation induced TL glow peaks are located in the temperature range 120–125 °C. These samples have different TL sensitivities, where Eu doped one is found to be the most TL sensitive. Further irradiations in the dose range from 10 Gy to 30 kGy were performed to LiF:Eu and the obtained result is explained using a proposed multilevel TL model. According to this model, Eu dopant (in Eu 3+ ionic form) could induce shallow and deep electron traps in the host of LiF nanocubes. These traps differ in their response according to the doses. The optimum concentration of Eu ions in LiF host is found to be 0.2 mol%. It is also found that LiF nanocubes are thermally stable in the range of 30–400 °C with a single phase. This property along with the good sensitivity of Eu doped one makes this tissue equivalent nanomaterial a proper candidate for heavy dose measurement like swift heavy ions used in radiotherapy. - Highlights: • Nanocubes of pure and doped LiF were produced by the co-precipitation method. • They were doped with Eu, Tb, Dy, Cu and Ag and studied for their TL response. • The gamma radiation induced TL glow peaks are located in the range 120–125 °C. • The Eu doped one is found to be the most TL sensitive, followed by Tb. • The tissue equivalent LiF:Eu nanocubes might be useful for heavy dose measurement

Antibacterial properties of Ag-exchanged Philippine natural zeolite-chitosan composites

Science.gov (United States)

Taaca, Kathrina Lois M.; Olegario, Eleanor M.; Vasquez, Magdaleno R.

2017-12-01

Zeolites are microporous minerals composed of silicon, aluminum and oxygen. These aluminosilicates consist of tetrahedral units which produce open framework structures to generate a system of pores and cavities of molecular dimensions. Zeolites are naturally abundant and can be mined in most parts of the world. In this study, natural zeolites (NaZ) which are locally-sourced here in the Philippines were investigated to determine its properties. An ion-exchange process was utilized, using the zeolite to silver (Ag) solution ratio of 1:20 (w/v), to incorporate Ag into the zeolite framework. Characterizations such as XRD, AAS, and Agar diffusion assay were used to evaluate the properties of the synthesized Ag-exchanged zeolites (AgZ). X-ray diffraction revealed that both NaZ and AgZ have peaks mostly corresponding to the clinoptilolite structure, with some trace peaks of the mordenite and quartz. Absorption spectroscopy revealed that the ion exchange process added about 0.61188g of silver into the zeolite structure. This Ag content was seen to be enough to make the AgZ sample exhibit an antibacterial effect where clearing zones against E. coli and S. aureus were observed in the agar diffusion assay, respectively. The AgZ sample was also tested as ceramic filler to a polymer matrix-chitosan. The diffusion assay revealed presence of antibacterial activity to the polymer composite with AgZ fillers. These results indicate that the Philippine natural zeolite, incorporated with metals such as Ag, can be used as an antibacterial agent and can be developed as a ceramic filler to improve the antibacterial property of composite materials for biomedical application.

Corrosion of superalloy Incoloy 800H/HT in eutectic mixture LiF-NaF-KF with different addition of chromium fluoride; Korozia superzliatiny Incoloy 800H/HT v eutektickej zmesi LiF-NaF-KF s ruznym pridavkom fluoridu chromiteho

Energy Technology Data Exchange (ETDEWEB)

Kontrik, M.; Pavlik, V.; Simko, F. [Slovenska Akademia Vied, Ustav Anorganickej Chemie, Oddelenie Taveninovych Sustav, 84636 Bratislava (Slovakia)

2013-04-16

Thesis deals with investigating the addition of chromium trifluoride to eutectic mixture of LiF-NaF-KF (46.5 - 11.5 - 42 mol %) on the corrosion of superalloy Incoloy 800H/HT with static tests. The corrosion losses of the alloy and type of corrosion attack was observed. It was found that the addition of chromium fluoride into the mixture generally increases of corrosion of the material. Several types of corrosion attacks were observed. On the surface of the samples the spotted, pitting and transgranular corrosions were found. On the cross-sections of the samples the subsurface and lamellar corrosions were detected. (authors)

Electrochemical preparation of carbon films with a Mo{sub 2}C interlayer in LiCl-NaCl-Na{sub 2}CO{sub 3} melts

Energy Technology Data Exchange (ETDEWEB)

Ge, Jianbang; Wang, Shuai; Zhang, Feng; Zhang, Long; Jiao, Handong [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing, 100083 (China); Zhu, Hongmin [Department of Metallurgy, Materials Science, and Materials Processing, Tohoku University, Sendai 980-8579 (Japan); Jiao, Shuqiang, E-mail: sjiao@ustb.edu.cn [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing, 100083 (China)

2015-08-30

Highlights: • The electrodeposition of carbon films with a Mo{sub 2}C interlayer. • Carbon diffusion engenders the formation of Mo{sub 2}C interlayer. • The Mo{sub 2}C interlayer has a good adhesion. - Abstract: The electrodeposition of carbon films with a Mo{sub 2}C interlayer was investigated in LiCl-NaCl-Na{sub 2}CO{sub 3} melts at 900 °C. Cyclic voltammetry was applied to study the electrochemical reaction mechanism on Mo and Pt electrodes, indicating that, two reduction reactions including carbon deposition and carbon monoxide evolution, may take place on the two electrodes simultaneously during the cathodic sweep. Carbon films with a continuous Mo{sub 2}C interlayer were prepared by constant voltage electrolysis, showing a good adhesion between Mo substrate and carbon films. The carbon films with a Mo{sub 2}C interlayer were characterized using X-ray diffraction measurement, Raman spectroscopy, scanning electron microscopy and transmission electron microscopy. The results reveal that carbon materials deposited on the electrodes are mainly composed of graphite and carbon diffusion in Mo (or Mo{sub 2}C) leads to the formation and growth of Mo{sub 2}C interlayer.

Na+-stimulated ATPase of alkaliphilic halotolerant cyanobacterium Aphanothece halophytica translocates Na+ into proteoliposomes via Na+ uniport mechanism

Directory of Open Access Journals (Sweden)

Soontharapirakkul Kanteera

2010-08-01

Full Text Available Abstract Background When cells are exposed to high salinity conditions, they develop a mechanism to extrude excess Na+ from cells to maintain the cytoplasmic Na+ concentration. Until now, the ATPase involved in Na+ transport in cyanobacteria has not been characterized. Here, the characterization of ATPase and its role in Na+ transport of alkaliphilic halotolerant Aphanothece halophytica were investigated to understand the survival mechanism of A. halophytica under high salinity conditions. Results The purified enzyme catalyzed the hydrolysis of ATP in the presence of Na+ but not K+, Li+ and Ca2+. The apparent Km values for Na+ and ATP were 2.0 and 1.2 mM, respectively. The enzyme is likely the F1F0-ATPase based on the usual subunit pattern and the protection against N,N'-dicyclohexylcarbodiimide inhibition of ATPase activity by Na+ in a pH-dependent manner. Proteoliposomes reconstituted with the purified enzyme could take up Na+ upon the addition of ATP. The apparent Km values for this uptake were 3.3 and 0.5 mM for Na+ and ATP, respectively. The mechanism of Na+ transport mediated by Na+-stimulated ATPase in A. halophytica was revealed. Using acridine orange as a probe, alkalization of the lumen of proteoliposomes reconstituted with Na+-stimulated ATPase was observed upon the addition of ATP with Na+ but not with K+, Li+ and Ca2+. The Na+- and ATP-dependent alkalization of the proteoliposome lumen was stimulated by carbonyl cyanide m - chlorophenylhydrazone (CCCP but was inhibited by a permeant anion nitrate. The proteoliposomes showed both ATPase activity and ATP-dependent Na+ uptake activity. The uptake of Na+ was enhanced by CCCP and nitrate. On the other hand, both CCCP and nitrate were shown to dissipate the preformed electric potential generated by Na+-stimulated ATPase of the proteoliposomes. Conclusion The data demonstrate that Na+-stimulated ATPase from A. halophytica, a likely member of F-type ATPase, functions as an electrogenic Na

Dielectric-Spectroscopic and ac Conductivity Investigations on Manganese Doped Layered Na1.9Li0.1Ti3O7 Ceramics

International Nuclear Information System (INIS)

Pal, Dharmendra; Pandey, J. L.; Pal, Shri

2009-01-01

The dielectric-spectroscopic and ac conductivity studies firstly carried out on layered manganese doped Sodium Lithium Trititanates (Na 1.9 Li 0.1 Ti 3 O 7 ). The dependence of loss tangent (Tanδ), relative permittivity (ε r ) and ac conductivity (σ ac ) in temperature range 373-723K and frequency range 100Hz-1MHz studied on doped derivatives. Various conduction mechanisms are involved during temperature range of study like electronic hopping conduction in lowest temperature region, for MSLT-1 and MSLT-2. The hindered interlayer ionic conduction exists with electronic hopping conduction for MSLT-3. The associated interlayer ionic conduction exists in mid temperature region for all doped derivatives. In highest temperature region modified interlayer ionic conduction along with the polaronic conduction, exist for MSLT-1, MSLT-2, and only modified interlayer ionic conduction for MSLT-3. The loss tangent (Tanδ) in manganese-doped derivatives of layered Na 1.9 Li 0.1 Ti 3 O 7 ceramic may be due to contribution of electric conduction, dipole orientation, and space charge polarization. The corresponding increase in the values of relative permittivity may be due to increase in number of dipoles in the interlayer space while the corresponding decrease in the values of relative permittivity may be due to the increase in the leakage current due to the higher doping

Structural and piezoelectric properties of aged 1-mol% Li2O-excess (Na0.51K0.47Li0.02)(Nb0.8Ta0.2)O3 ceramics

International Nuclear Information System (INIS)

Moon, Sang-Ho; Yun, Seok-Woo; Ham, Yong-Su; Lee, Young-Hie; Nam, Song-Min; Koh, Jung-Hyuk; Jeong, Soon-Jong; Kim, Min-Soo

2010-01-01

One (1)-mol% Li 2 O-excess (Na 0.51 K 0.47 Li 0.02 )(Nb 0.8 Ta 0.2 )O 3 lead-free piezoelectric ceramics were aged under different unipolar electric fields. Unipolar electric fields of 3, 5, and 7 kV/cm were applied to the specimens to accelerate the electric aging behavior. By employing a unipolar electric field for the piezoelectric actuators, we were able to remove undesirable heating problem from the relaxation current in the ferroelectric domain motions. To accelerate the aging test, we used an applied electric fields with a frequency of 910 Hz. To earn enough time for charging and discharging, we used an accurate time constant for the equivalent model for the piezoelectric actuators. X-ray diffraction analyses were carried out to determine the structural aging behavior of the poled piezoelectric specimens. As the piezoelectric specimens were exposed to high electric fields for aging tests, the actuators lost their tetragonality and took on a pseudo-cubic structure. The cycling dependent piezoelectric coefficient and electromechnical coupling coefficient followed a stretched exponential law as aging process.

Effect of Zr on the Corrosion Properties of Mg-Li-Al Alloy

International Nuclear Information System (INIS)

Kim, Soon Ho; Choi, Sang Hyun; Kim, In Bae; Kim, Kyung Hyun

1994-01-01

Effect of Zr on the electrochemical corrosion characteristics of Mg-Li-Al alloy has been investigated by means of potentiodynamic polarization study. The electrochemical behaviors were evaluated in 0.03% NaCl solution and the solution buffered with KH 2 PO 5 · NaOH at room temperature. It was found that the addition of very small quantity of Zr (0.03wt%) in Mg-Li-Al alloy increased corrosion rates and amount of corrosion products and decreased the pitting resistance of the alloy. From the results it was concluded that Zr which is added to increase the strength of Mg-Li-Al alloy is harmful to corrosion properties of the alloy

Electrochemical formation of uranium-zirconium alloy in LiCl-KCl melts

Energy Technology Data Exchange (ETDEWEB)

Murakami, Tsuyoshi, E-mail: m-tsuyo@criepi.denken.or.j [Central Research Institute of Electric Power Industry (CRIEPI), Komae-shi, Tokyo 201-8511 (Japan); Kato, Tetsuya; Kurata, Masaki [Central Research Institute of Electric Power Industry (CRIEPI), Komae-shi, Tokyo 201-8511 (Japan); Yamana, Hajimu [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan)

2009-11-15

Since zirconium is considered an electrochemically active species under practical conditions of the electrorefining process, it is crucial to understand the electrochemical behavior of zirconium in LiCl-KCl melts containing actinide ions. In this study, the electrochemical codeposition of uranium and zirconium on a solid cathode was performed. It was found that the delta-(U, Zr) phase, which is the only intermediate phase of the uranium-zirconium binary alloy system, was deposited on a tantalum substrate by potentiostatic electrolysis at -1.60 V (vs. Ag{sup +}/Ag) in LiCl-KCl melts containing 0.13 in mol% UCl{sub 3} and 0.23 in mol% ZrCl{sub 4} at 773 K. To our knowledge, this is the first report on the electrochemical formation of the delta-(U, Zr) phase. The relative partial molar properties of uranium in the delta-(U, Zr) phase were evaluated by measuring the open-circuit-potentials of the electrochemically prepared delta-phase electrode.

Electrochemical formation of uranium-zirconium alloy in LiCl-KCl melts

International Nuclear Information System (INIS)

Murakami, Tsuyoshi; Kato, Tetsuya; Kurata, Masaki; Yamana, Hajimu

2009-01-01

Since zirconium is considered an electrochemically active species under practical conditions of the electrorefining process, it is crucial to understand the electrochemical behavior of zirconium in LiCl-KCl melts containing actinide ions. In this study, the electrochemical codeposition of uranium and zirconium on a solid cathode was performed. It was found that the δ-(U, Zr) phase, which is the only intermediate phase of the uranium-zirconium binary alloy system, was deposited on a tantalum substrate by potentiostatic electrolysis at -1.60 V (vs. Ag + /Ag) in LiCl-KCl melts containing 0.13 in mol% UCl 3 and 0.23 in mol% ZrCl 4 at 773 K. To our knowledge, this is the first report on the electrochemical formation of the δ-(U, Zr) phase. The relative partial molar properties of uranium in the δ-(U, Zr) phase were evaluated by measuring the open-circuit-potentials of the electrochemically prepared δ-phase electrode.

Properties of single crystal beta''-aluminas

International Nuclear Information System (INIS)

Bates, J.B.; Brown, G.M.; Kaneda, T.; Brundage, W.E.; Wang, J.C.; Engstrom, H.

1979-01-01

Large single crystals of sodium beta''-alumina were grown by slow evaporation of Na 2 O at 1690 0 C from a mixture of Na 2 CO 3 , MgO, and Al 2 O 3 . Polarized Raman measurements were made on the Na β'' single crystals and on single crystals of Li, K, Rb, and Ag β'' prepared by ion exchange of Na β''. The low frequency Raman spectra of Na, K, Rb, and Ag β'' contained four or more bands due to vibrations of the mobile cations. These results were analyzed by assuming the spectra to be due to the normal modes of a defect cluster consisting of a cation vacancy surrounded by three cations. From model calculations, the Raman band of Na β'' at 33 cm -1 is assigned to the attempt mode for diffusion of Na + ions. The structure of a Ag β'' single crystal was investigated by neutron diffraction, and 20% of the Ag + ion sites were found to be vacant

Aplicação de AG3 e CPPU na qualidade da uva 'Itália' em Porto Feliz-SP

Directory of Open Access Journals (Sweden)

Alessandro Rodrigues

2011-03-01

Full Text Available A videira 'Itália' (Vitis vinifera L. é a cultivar de uva fina para mesa mais consumida no Brasil. A qualidade dos cachos é uma característica fundamental, sendo o tamanho das bagas o componente mais valorizado pelos consumidores. Uma das alternativas para incrementar a qualidade das bagas é o uso de biorreguladores. Avaliaram-se, em três ciclos de produção, os efeitos de doses de ácido giberélico (AG3 isolado e associado com forchlorfenuron (CPPU, na qualidade dos cachos de uva Itália produzida em Porto Feliz-SP. A aplicação dos biorreguladores foi realizada aos 25 dias após o florescimento, em delineamento experimental inteiramente casualizado, em fatorial 4X4 (zero, 10; 20 e 30 mg L-1 AG3 X zero, 5; 10 e 15 mg L-1 CPPU, com oito repetições para o primeiro ciclo, e fatorial 3X3 (zero, 20 e 30 mg L-1 AG3 X zero, 10 e 20 mg L-1 CPPU com dez repetições para o segundo e terceiro ciclos. A mistura de 20 mg L-1 de AG3 com 10 mg L-1 de CPPU promoveu o incremento do comprimento e do diâmetro das bagas sem prejuízo da massa dos cachos, melhorando sua qualidade, em Porto Feliz-SP. O uso de CPPU isoladamente acarretou em redução do teor de sólidos solúveis das bagas.

Optimization of 6LiF:ZnS(Ag) scintillator light yield using GEANT4

Science.gov (United States)

Yehuda-Zada, Y.; Pritchard, K.; Ziegler, J. B.; Cooksey, C.; Siebein, K.; Jackson, M.; Hurlbut, C.; Kadmon, Y.; Cohen, Y.; Ibberson, R. M.; Majkrzak, C. F.; Maliszewskyj, N. C.; Orion, I.; Osovizky, A.

2018-06-01

A new cold neutron detector has been developed at the NIST Center for Neutron Research (NCNR) for the CANDoR (Chromatic Analysis Neutron Diffractometer or Reflectometer) project. Geometric and performance constraints dictate that this detector be exceptionally thin (∼ 2 mm). For this reason, the design of the detector consists of a 6LiF:ZnS(Ag) scintillator with embedded wavelength shifting (WLS) fibers. We used the GEANT4 package to simulate neutron capture and light transport in the detector to optimize the composition and arrangement of materials to satisfy the competing requirements of high neutron capture probability and light production and transport. In the process, we have developed a method for predicting light collection and total neutron detection efficiency for different detector configurations. The simulation was performed by adjusting crucial parameters such as the scintillator stoichiometry, light yield, component grain size, WLS fiber geometry, and reflectors at the outside edges of the scintillator volume. Three different detector configurations were fabricated and their test results were correlated with the simulations. Through this correlation we have managed to find a common photon threshold for the different detector configurations which was then used to simulate and predict the efficiencies for many other detector configurations. New detectors that have been fabricated based on simulation results yielding the desired sensitivity of 90% for 3.27 meV (5 Å) cold neutrons. The simulation has proven to be a useful tool by dramatically reducing the development period and the required number of detector prototypes. It can be used to test new designs with different thicknesses and different target neutron energies.

H2 uptake in the Li-dispersed silica nano-tubes

International Nuclear Information System (INIS)

Jin Bae Lee; Soon Chang Lee; Sang Moon Lee; Hae Jin Kim

2006-01-01

Highly ordered Li-dispersed silica nano-tubes were prepared by sol-gel template method for hydrogen storage. Isolated Li-dispersed silica nano-tubes can be easily obtained by removing the AAO template with 2M NaOH. From the XRD study, the Li-dispersed silica nano-tubes showed the amorphous phase with silica frameworks. The uniform length and diameter of Li-dispersed silica nano-tubes could be examined with the electron microscopy studies. The wall thickness and diameter of nano-tubes are about 50-60 nm and 200-400 nm, respectively. The obtained Li-dispersed silica nano-tubes have the hydrogen adsorption capacity 2.25 wt% at 77 K under 47 atm. (authors)

Identification of AgNORs and cytopathological changes in oral lichen planus lesions.

Science.gov (United States)

Ferreira, Stefânia Jeronimo; Machado, Maria Ângela Naval; de Lima, Antônio Adilson Soares; Johann, Aline Cristina Batista Rodrigues; Grégio, Ana Maria Trindade; Azevedo-Alanis, Luciana Reis

2017-01-01

To evaluate cytopathological changes in epithelial cells of the oral mucosa of patients with oral lichen planus (OLP) compared with patients without OLP. Swabs were collected from the oral mucosa of 20 patients with OLP (case group) and 20 patients without OLP (control group) using liquid-based cytology. After Papanicolaou staining, the smears were characterized based on Papanicolaou classification and degree of maturation. Nuclear area (NA) measurements, cytoplasmic area (CA) measurements, and the NA/CA ratio were determined from 50 epithelial cells per slide. For quantification of argyrophilic nucleolar organizer regions (AgNORs), the smears were stained with silver nitrate, and the number of AgNORs was counted in 100 cells. In both groups, there was a predominance of Papanicolaou Class I nucleated cells in the superficial layer. The average values of NA (p>0.05) and CA (p=0.000) were greater in the case group (NA=521.6, CA=22,750.3) compared with the control group (NA=518.9, CA=18,348.0). The NA/CA ratio was 0.025 for the case group and 0.031 for the control group (p=0.004). There was no significant difference between the mean AgNORs values of both groups (p>0.05). The oral mucosa of patients with OLP exhibited significant cytomorphometric changes. However, there was no evidence of malignancy. Copyright © 2016 Elsevier GmbH. All rights reserved.

Flexible one-dimensional carbon-selenium composite nanofibers with superior electrochemical performance for Li-Se/Na-Se batteries

Science.gov (United States)

Zeng, Linchao; Wei, Xiang; Wang, Jiaqing; Jiang, Yu; Li, Weihan; Yu, Yan

2015-05-01

A facile strategy is developed to synthesis selenium/carbon composites (Se@CNFs-CNT) by co-heating Se powder and electrospun Polyacrylonitrile (PAN)-CNT nanofibers at 600°Cin a sealed vessel. The Se molecules are chemically bonded and physical encapsulated by carbonized PAN-CNT composite (CNFs-CNT), which leads to prevent the dissolution of polyselenide intermediates in carbonate based electrolyte. When directly used as flexible free-standing cathode material for Li-Se batteries in low cost carbonate-based electrolyte, the Se@CNFs-CNT electrode exhibits improved cyclability (517 mAh g-1 after 500 cycles at 0.5 A g-1) and rate capability (485 mAh g-1 at 1 A g-1). Moreover, when tested as sodium batteries, it maintains a reversible capacity of 410 mAh g-1 after 240 cycles at 0.5 A g-1. The superior electrochemical performance (especially at high rates) of Se@CNFs-CNT is attributed to synergistic effect of the additive of CNT, the well confine of Se in the CNFs-CNT matrix through chemical bonding and the 3D interconnected carbon nanofibers (CNFs). This simple yet efficient process thus provides a promising route towards fabrication of a variety of high performance flexible Li-Se and Na-Se batteries.

Enhance luminescence by introducing alkali metal ions (R+ = Li+, Na+ and K+) in SrAl2O4:Eu3+ phosphor by solid-state reaction method

Science.gov (United States)

Prasad Sahu, Ishwar

2016-05-01

In the present article, the role of charge compensator ions (R+ = Li+, Na+ and K+) in europium-doped strontium aluminate (SrAl2O4:Eu3+) phosphors was synthesized by the high-temperature, solid-state reaction method. The crystal structures of sintered phosphors were in a monoclinic phase with space group P21. The trap parameters which are mainly activation energy (E), frequency factor (s) and order of the kinetics (b) were evaluated by using the peak shape method. The calculated trap depths are in the range from 0.76 to 0.84 eV. Photoluminescence measurements showed that the phosphor exhibited emission peak with good intensity at 595 nm, corresponding to 5D0-7F1 (514 nm) orange emission and weak 5D0-7F2 (614 nm) red emission. The excitation spectra monitored at 595 nm show a broad band from 220 to 320 nm ascribed to O-Eu charge-transfer state transition and the other peaks in the range of 350-500 nm originated from f-f transitions of Eu3+ ions. The strongest band at 394 nm can be assigned to 7F0-5L6 transition of Eu3+ ions due to the typical f-f transitions within Eu3+ of 4f6 configuration. The latter lies in near ultraviolet (350-500 nm) emission of UV LED. CIE color chromaticity diagram and thermoluminescence spectra confirm that the synthesized phosphors would emit an orange-red color. Incorporating R+ = Li+, Na+ and K+ as the compensator charge, the emission intensity of SrAl2O4:Eu3+ phosphor can be obviously enhanced and the emission intensity of SrAl2O4:Eu3+ doping Li+ is higher than that of Na+ or K+ ions.

Ética na publicidade e propaganda: a visão do executivo de agências de comunicação do Rio Grande do Sul

Directory of Open Access Journals (Sweden)

Aida Maria Lovison

Full Text Available O marketing, enquanto área da Administração, inclui a propaganda, ferramenta que tem sido alvo de constantes questionamentos éticos de parte da sociedade. Apesar de existir no âmbito brasileiro e mundial um grande número de estudos focados nos efeitos da propaganda sobre o consumidor, o mesmo não pode ser dito quando se trata de analisar a relação entre ética e atuação das agências de comunicação e, por via midiática, com a sociedade em geral. Inserido nessa lacuna, o presente estudo visa elucidar quais valores estão subjacentes aos posicionamentos adotados pelos executivos de agências de comunicação situadas na Região Metropolitana de Porto Alegre/RS no que tange aos valores que fundam o vínculo entre agência, patrocinadores e a própria sociedade. Nesse intuito, foram realizadas entrevistas em profundidade com executivos de agências de comunicação; posteriormente, os textos foram transcritos e analisados através de mapas de associação de ideias. Como resultados, verificou-se a existência de certo "vazio ético". Assim, embora reconheçam a indissociabilidade entre vida ética no trabalho e na vida pessoal, há contradições. Não obstante, identificaram-se profissionais que, apesar das tensões advindas deste cenário, decidem corajosamente fazer valer posições que ratificam, mesmo em situações-limite, a impossibilidade de conceder face a um critério essencial para a ética: o respeito, principalmente, pela pessoa; isto é, a alteridade.

Interaction of antiprotons with Rb atoms and a comparison of antiproton stopping powers of the atoms H, Li, Na, K, and Rb

DEFF Research Database (Denmark)

Lühr, Armin Christian; Fischer, Nicolas; Saenz, Alejandro

2009-01-01

Ionization and excitation cross sections as well as electron-energy spectra and stopping powers of the alkali metal atoms Li, Na, K, and Rb colliding with antiprotons were calculated using a time-dependent channel-coupling approach. An impact-energy range from 0.25 to 4000 keV was considered....... The target atoms are treated as effective one-electron systems using a model potential. The results are compared with calculated cross sections for antiproton-hydrogen atom collisions....

Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.

Science.gov (United States)

Orive, Joseba; Fernández de Luis, Roberto; Fernández, Jesús Rodríguez; Lezama, Luis; Arriortua, María I

2016-07-26

Ax(H3O)2-xMn5(HPO3)6 (A = Li, x = 0.55 (1-Li); A = Na, x = 0.72 (2-Na); A = K, x = 0.30 (3-K); A = NH4, x = 0.59 (4-NH4)) phases were synthesized by employing mild hydrothermal conditions. 1-Li was studied by single crystal X-ray diffraction, while sodium, potassium and ammonium containing analogues were obtained as polycrystalline samples and characterized by powder X-ray diffraction. The four compounds were characterized by ICP-Q-MS, thermal analysis and XPS, IR, UV/Vis and EPR spectroscopy. Single crystal data indicate that 1-Li crystallizes in the P3[combining macron]c1 space group with lattice parameters a = 10.3764(1) Å and c = 9.4017(1) Å with Z = 2. The crystal structure of these phases is constituted by a three-dimensional [Mn(ii)5(HPO3)6](2-) anionic skeleton templated by alkali metal and ammonium cations together with protonated water molecules. Such an inorganic framework is formed by layers of edge-sharing MnO6 octahedra placed in the ab plane and joined along the c direction through phosphite pseudotetrahedra. The sheets display 12-membered ring channels parallel to the c-axis, ca. 5 Å in diameter, where the extraframework species display a strong disorder. EPR measurements point to the existence of short range ferromagnetic interactions around 12 K. Magnetic susceptibility and heat capacity measurements show that all the compounds exhibit long range antiferromagnetic order below circa 4 K, with a significant magnetocaloric effect around the Neel temperature.

Transition-metal chlorides as conversion cathode materials for Li-ion batteries

International Nuclear Information System (INIS)

Li Ting; Chen, Zhong X.; Cao, Yu L.; Ai, Xin P.; Yang, Han X.

2012-01-01

Insoluble AgCl and soluble CuCl 2 were selected and investigated as model compounds of transition-metal chlorides for electrochemical conversion cathode materials. The experimental results demonstrated that the AgCl nanocrystals can convert reversibly to metallic Ag with nearly full utilization of its one-electron redox capacity (187 mAh g −1 ). Similarly, the CuCl 2 -filled mesoporous carbon can realize a reversible two-electron transfer reaction, giving a very high reversible capacity of 466 mAh g −1 after 20 cycles. These data imply that the metal chlorides can undergo complete electrochemical conversion utilizing their full oxidation states for electrical energy storage as previously reported metal fluorides, possibly being used as high capacity cathode materials for Li-ion batteries.

Acidity of cations and the solubility of oxides in the eutectic KCl-LiCl melt at 700 Deg C

International Nuclear Information System (INIS)

Cherginets, V.L.; Rebrova, T.P.

1999-01-01

Products of MgO, NiO and CoO solubility in KCl-LiCl melt at 700 Deg C were determined by the method of potentiometric titration using Pt(O 2 )IZrO 2 (Y 2 O 3 ) membrane oxygen electrode. It was ascertained that acid properties of Cd 2+ and Pb'2 + cations are levelled to Li + properties, a break in E-pO graduation dependence in KCl-LiCl melt was observed at pO ∼ 2. Increase in oxides solubility in the melt studied compared with KCl-NaCl and CsCl-KCl-NaCl melts stems from the presence of Li + cations in the melt studied, which possess stronger acid properties than those of Na + or K + [ru

Silver effect of Co–Ni composite material on energy storage and structural behavior for Li-ion batteries

International Nuclear Information System (INIS)

Gnanamuthu, RM.; Prasanna, K.; Subburaj, T.; Jo, Yong Nam; Lee, Chang Woo

2013-01-01

Ag powder has been comparatively applied to the Co–Ni materials preparing by mixing method and the prepared electrodes were used as negative electrodes for Li-ion batteries applications. The prepared Co–Ni and Ag–Co–Ni with 10 wt.% of Ag composite electrodes are characterized by XRD, FE-SEM with EDX, impedance and electrochemical charge-discharge studies. These electrochemical studies are demonstrated at current rates of 0.1 C and 0.5 C between 0.01 and 2.0 V vs. Li/Li + . The porous Co–Ni and Ag–Co–Ni composite materials are electrochemically tested in lithium half cells. The porous Ag–Co–Ni composite material demonstrates that the initial and end of discharge capacity up to 20th cycles is, respectively, 860 and 715 mAh g −1 at 0.1 C rate maintaining at approximately 83%. The porous Ag–Co–Ni composite electrode may be a good candidate for high power lithium-ion batteries.

Effect of AgCl NPs: Physical, thermal, absorption and luminescence properties

Science.gov (United States)

Nurhafizah, H.; Rohani, M. S.

2017-06-01

Silver nanoparticles (AgCl NPs) are embedded in Er3+/Nd3+ co-doped lithium niobate tellurite glasses of the form (68-x)TeO2-15Li2CO3-15Nb2O5-1Er2O3-1Nd2O3-(x)AgCl with x = 1,2 and 3 mol% via conventional melt-quenching technique. The physical properties such as density, ionic packing density, refractive index and electronic polarizability are computed utilizing the usual method. The existence of AgCl NPs with an average size of 3.7 nm is confirmed using TEM analysis. Moreover, the thermal stability and Hruby criterion of the glass decreases as the AgCl NPs content increases. The direct optical band gap are found decrease as the AgCl NPs content increase, but both indirect optical band gap and Urbach energy are found increases as AgCl NPs content increases. The luminescence spectra shows two strong emission which is the purple emission at 436 nm and red emission at 724 nm which also been observed has strong quenching due to the AgCl NPs, Er3+/Nd3+ dopant and modifier, lithium niobate which possessed magnetic penetration. These glass compositions may be potential for various applications such as solid state devices including laser.

Systems Li2B4O7 (Na2B4O7, K2B4O7)-N2H3H4OH-H2O at 25 deg C

International Nuclear Information System (INIS)

Skvortsov, V.G.; Sadetdinov, Sh.V.; Akimov, V.M.; Mitrasov, Yu.N.; Petrova, O.V.; Klopov, Yu.N.

1994-01-01

Phase equilibriums in the Li 2 B 4 O 7 (Na 2 B 4 O 7 , K 2 B 4 O 7 )-N 2 H 3 H 4 OH-H 2 O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM 2 B 4 O 7 ·nN 2 H 3 C 2 H 4 OH·XH 2 O, where M=Li, Na with hydrazine ethanol. K 2 B 4 O 7 ·4H 2 O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods

Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3PO4 and II-Ag3PO4, and of the low-temperature form I-Ag3PO4

International Nuclear Information System (INIS)

Newsam, J.M.; Cheetham, A.K.; Tofield, B.C.

1980-01-01

The crystal structures of the high-temperature modifications of sodium and silver orthophosphates have been determined using powder neutron diffraction (PND) data. II-Na 3 PO 4 adopts the space group Fm3m with a = 7.512(3) A at 400 0 C. The PO 4 3- group is centred around the origin, but it shows high orientational disorder. The sodium ions occupy the (1/4, 1/4, 1/4) and (1/2, 1/2, 1/2) sites. II-Ag 3 PO 4 , at 650 0 C, is similar with a = 7.722 (5) A. The structure of I-Ag 3 PO 4 at room temperature (P4 - 3n, a = 6.0095 (6) A) has been re-examined by single-crystal X-ray diffraction. The derived model, with R = 0.019 for 116 independent reflections, is in agreement with the latest work reported in the literature. The structure of I-Ag 3 PO 4 at 375 0 C, as determined by PND, has a = 6.061(1) A, and displays no gross modifications from that observed at 25 0 C, although the anisotropic nature of the silver sites is markedly more pronounced at this higher temperature. The cation mobility is discussed in relation to the high-temperature structures. (Auth.)

DC magnetron sputtering prepared Ag-C thin film anode for thin film lithium ion microbatteries

International Nuclear Information System (INIS)

Li, Y.; Tu, J.P.; Shi, D.Q.; Huang, X.H.; Wu, H.M.; Yuan, Y.F.; Zhao, X.B.

2007-01-01

An Ag-C thin film was prepared by DC magnetron co-sputtering, using pure silver and graphite as the targets. The microstructure and morphology of the deposited thin film were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Electrochemical performances of the Ag-C thin film anode were investigated by means of discharge/charge and cyclic voltammogram (CV) tests in model cells. The electrochemical impedance spectrum (EIS) characteristics and the chemical diffusion coefficient, D Li of the Ag-C thin film electrode at different discharging states were discussed. It was believed that the excellent cycling performance of the Ag-C electrode was ascribed to the good conductivity of silver and the volume stability of the thin film

Exchange reactions in the systems of alkali metal, silver and thallium, sulfates, niobates and tantalates

International Nuclear Information System (INIS)

Belyaev, I.N.; Lupejko, T.G.; Nalbandyan, V.B.; Abanina, E.V.

1978-01-01

Investigated are exchange interactions in diagonal cross sections of twenty triple mutual systems with A and A' cations and SO 4 and MO 3 anions where A and A'-Li, Na, K, Ag, Tl, M-Nb, Ta using the methods of X-ray phase, chemical and differential thermal analyses. Exchange reaction between crystal complex oxide and melted salt are effective synthesis method. These reactions in particular permitted to obtain pure AgNbO 3 , AgTaO 3 and their solid solutions at temperatures hundreds degrees lower than in displacement reactions. Equilibrium samples of AMO 3 -A'MO 3 systems, continuous or discontinuous solid solutions, compounds (except NaMO 3 -KMO 3 , and also LiTaO 3 -KTaO 3 ) are formed in exchange reactions when there is sulfate shortage. Thus, exchange reactions can be applied for solid solution synthesis, and also for phase diagram study

Bacterial adhesion forces to Ag-impregnated contact lens cases and transmission to contact lenses.

Science.gov (United States)

Qu, Wenwen; Busscher, Henk J; van der Mei, Henny C; Hooymans, Johanna M M

2013-03-01

To measure adhesion forces of Pseudomonas aeruginosa, Staphylococcus aureus, and Serratia marcescens to a rigid contact lens (CL), standard polypropylene, and Ag-impregnated lens cases using atomic force microscopy and determine bacterial transmission from lens case to CL. Adhesion forces of bacterial strains to Ag-impregnated and polypropylene lens cases and a rigid CL were measured using atomic force microscopy. Adhesion forces were used to calculate Weibull distributions, from which transmission probabilities from lens case to CL were derived. Transmission probabilities were compared with actual transmission of viable bacteria from a lens case to the CL in 0.9% NaCl and in an antimicrobial lens care solution. Bacterial transmission probabilities from polypropylene lens cases based on force analysis coincided well for all strains with actual transmission in 0.9% NaCl. Bacterial adhesion forces on Ag-impregnated lens cases were much smaller than that on polypropylene and CLs, yielding a high probability of transmission. Comparison with actual bacterial transmission indicated bacterial killing due to Ag ions during colony-forming unit transmission from an Ag-impregnated lens case, especially for P. aeruginosa. Transmission of viable bacteria from Ag-impregnated lens cases could be further decreased by use of an antimicrobial lens care solution instead of 0.9% NaCl. Bacterial transmission probabilities are higher from Ag-impregnated lens cases than from polypropylene lens cases because of small adhesion forces, but this is compensated for by enhanced bacterial killing due to Ag impregnation, especially when in combination with an antimicrobial lens care solution. This calls for a balanced combination of antimicrobial lens care solutions and surface properties of a lens case and CL.

Atmospheric Composition of Weak G Band Stars: CNO and Li Abundances

Science.gov (United States)

Adamczak, Jens; Lambert, David L.

2013-03-01

We determined the chemical composition of a large sample of weak G band stars—a rare class of G and K giants of intermediate mass with unusual abundances of C, N, and Li. We have observed 24 weak G band stars with the 2.7 m Harlan J. Smith Telescope at the McDonald Observatory and derived spectroscopic abundances for C, N, O, and Li, as well as for selected elements from Na-Eu. The results show that the atmospheres of weak G band stars are highly contaminated with CN-cycle products. The C underabundance is about a factor of 20 larger than for normal giants and the 12C/13C ratio approaches the CN-cycle equilibrium value. In addition to the striking CN-cycle signature the strong N overabundance may indicate the presence of partially ON-cycled material in the atmospheres of the weak G band stars. The exact mechanism responsible for the transport of the elements to the surface has yet to be identified but could be induced by rapid rotation of the main sequence progenitors of the stars. The unusually high Li abundances in some of the stars are an indicator for Li production by the Cameron-Fowler mechanism. A quantitative prediction of a weak G band star's Li abundance is complicated by the strong temperature sensitivity of the mechanism and its participants. In addition to the unusual abundances of CN-cycle elements and Li, we find an overabundance of Na that is in accordance with the NeNa chain running in parallel with the CN cycle. Apart from these peculiarities, the element abundances in a weak G band star's atmosphere are consistent with those of normal giants.

ATMOSPHERIC COMPOSITION OF WEAK G BAND STARS: CNO AND Li ABUNDANCES

International Nuclear Information System (INIS)

Adamczak, Jens; Lambert, David L.

2013-01-01

We determined the chemical composition of a large sample of weak G band stars—a rare class of G and K giants of intermediate mass with unusual abundances of C, N, and Li. We have observed 24 weak G band stars with the 2.7 m Harlan J. Smith Telescope at the McDonald Observatory and derived spectroscopic abundances for C, N, O, and Li, as well as for selected elements from Na-Eu. The results show that the atmospheres of weak G band stars are highly contaminated with CN-cycle products. The C underabundance is about a factor of 20 larger than for normal giants and the 12 C/ 13 C ratio approaches the CN-cycle equilibrium value. In addition to the striking CN-cycle signature the strong N overabundance may indicate the presence of partially ON-cycled material in the atmospheres of the weak G band stars. The exact mechanism responsible for the transport of the elements to the surface has yet to be identified but could be induced by rapid rotation of the main sequence progenitors of the stars. The unusually high Li abundances in some of the stars are an indicator for Li production by the Cameron-Fowler mechanism. A quantitative prediction of a weak G band star's Li abundance is complicated by the strong temperature sensitivity of the mechanism and its participants. In addition to the unusual abundances of CN-cycle elements and Li, we find an overabundance of Na that is in accordance with the NeNa chain running in parallel with the CN cycle. Apart from these peculiarities, the element abundances in a weak G band star's atmosphere are consistent with those of normal giants.

Quaternary system LiF-LiCl-LiVO3-Li2MoO4

International Nuclear Information System (INIS)

Anipchenko, B.V.; Garkushin, I.K.

2000-01-01

Interactions in the LiF-LiCl-LiVO 3 -Li 2 MoO 4 system are studied by differential thermal analysis. Rate of heating/cooling of the samples comprised 15 Grad/min, mass of sample composed 0.2 g. The system was investigated in the 300-650 Deg C range. X-ray diffraction method was used for determination of purity of the reagents. Composition and temperature of quaternary component eutectics are determined: 16.5 mol. % of LiF, 47.0 mol. % of LiCl, 28.8 mol. % of LiVO 3 , 7.6 mol. % of Li 2 MoO 4 ; 387 Deg C. Mean value of melting enthalpy of quaternary eutectics mixture in the LiF-LiCl-LiVO 3 -Li 2 MoO 4 system on the results of the tests was in the range of 222 kJ/kg [ru

Defect evolution and impurity migration in Na-implanted ZnO

Science.gov (United States)

Neuvonen, Pekka T.; Vines, Lasse; Venkatachalapathy, Vishnukanthan; Zubiaga, Asier; Tuomisto, Filip; Hallén, Anders; Svensson, Bengt G.; Kuznetsov, Andrej Yu.

2011-11-01

Secondary ion mass spectrometry (SIMS) and positron annihilation spectroscopy (PAS) have been applied to study impurity migration and open volume defect evolution in Na+ implanted hydrothermally grown ZnO samples. In contrast to most other elements, the presence of Na tends to decrease the concentration of open volume defects upon annealing and for temperatures above 600∘C, Na exhibits trap-limited diffusion correlating with the concentration of Li. A dominating trap for the migrating Na atoms is most likely Li residing on Zn site, but a systematic analysis of the data suggests that zinc vacancies also play an important role in the trapping process.

MeB/sub 5/O/sub 8/(Me-Li, Na, K, NH/sub 4/)-H/sub 2/NCONHCOCH/sub 3/-H/sub 2/O system at 25 deg C

Energy Technology Data Exchange (ETDEWEB)

Skvortsov, V G; Fedorov, Yu A; Molodkin, A K; Tsekhanskij, R S

1986-06-01

Using the methods of isothermal solubility, densi- and refractometry, systems MB/sub 5/O/sub 8/ (M-Li, Na, K, NH/sub 4/)-acetylcarbamide - H/sub 2/O at 25 deg C have been studied. It is ascertained, that the systems investigated are of simple eutonic type.

As Lições Aprendidas nas Forças Armadas

OpenAIRE

Lopes, Henrique

2012-01-01

Este trabalho tem por objetivo geral identificar contributos para a criação de um sistema genérico conjunto de Lições Aprendidas para as Forças Armadas, visando o desenvolvimento do conhecimento e melhoria de capacidades. Projetamos o estabelecimento de uma capacidade de Lições Aprendidas no Estado-Maior General das Forças Armadas, cujo sistema na sua base seja transversal às Forças Armadas. Um sistema de Lições Aprendidas engloba um processo que procura aprender com a experiência, proporc...

Lithium intercalation into layered LiMnO2

DEFF Research Database (Denmark)

Vitins, G.; West, Keld

1997-01-01

Recently Armstrong and Bruce(1) reported a layered modification of lithium manganese oxide, LiMnO2, isostructural with LiCoO2. LiMnO2 obtained by ion exchange from alpha-NaMnO2 synthesized in air is characterized by x-ray diffraction and by electrochemical insertion and extraction of lithium...... in a series of voltage ranges between 1.5 and 4.5 V relative to a lithium electrode. During cycling voltage plateaus at 3.0 and 4.0 V vs. Li develop, indicating that the material is converted from its original layered structure to a spinel structure. This finding is confirmed by x-ray diffraction. Contrary...... to expectations based on thermodynamics, insertion of larger amounts of lithium leads to a more complete conversion. We suggest that a relatively high mobility of manganese leaves Li and Mn randomly distributed in the close-packed oxygen lattice after a deep discharge. This isotropic Mn distribution can...

Electrochemical behaviours of lanthanide fluorides in the electrolysis system with LiF-NaF-Kf salt

International Nuclear Information System (INIS)

Joon-Bo, Shim; Sung-Chan, Hwang; Eung-Ho, Kim; Young-Ho, Kang; Byung-Jik, Lee; Jae-Hyung, Yoo

2003-01-01

As a part of partitioning studies, the experiments of cyclic voltammetry and electrolytic reduction with the liquid bismuth cathode were conducted to investigate electrochemical behaviours of lanthanide elements in the electrorefining system employing LiF-NaF-KF eutectic salt as the electrolyte. The cyclic voltammograms for NdF 3 and GdF 3 were obtained at various potential scan rates, respectively. The cathodic and anodic peak currents of the elements increased in proportion to the square root of the potential scan rate. According to changes of the potential difference between the coupled cathodic and anodic peaks, reversibilities of the reduction-oxidation reactions in this system were evaluated. In addition, further behaviours of electrochemical reaction of the elements were examined through electrolytic tests of the system using liquid bismuth as the cathode at fixed current densities. (author)

AgRP Neurons Can Increase Food Intake during Conditions of Appetite Suppression and Inhibit Anorexigenic Parabrachial Neurons.

Science.gov (United States)

Essner, Rachel A; Smith, Alison G; Jamnik, Adam A; Ryba, Anna R; Trutner, Zoe D; Carter, Matthew E

2017-09-06

To maintain energy homeostasis, orexigenic (appetite-inducing) and anorexigenic (appetite suppressing) brain systems functionally interact to regulate food intake. Within the hypothalamus, neurons that express agouti-related protein (AgRP) sense orexigenic factors and orchestrate an increase in food-seeking behavior. In contrast, calcitonin gene-related peptide (CGRP)-expressing neurons in the parabrachial nucleus (PBN) suppress feeding. PBN CGRP neurons become active in response to anorexigenic hormones released following a meal, including amylin, secreted by the pancreas, and cholecystokinin (CCK), secreted by the small intestine. Additionally, exogenous compounds, such as lithium chloride (LiCl), a salt that creates gastric discomfort, and lipopolysaccharide (LPS), a bacterial cell wall component that induces inflammation, exert appetite-suppressing effects and activate PBN CGRP neurons. The effects of increasing the homeostatic drive to eat on feeding behavior during appetite suppressing conditions are unknown. Here, we show in mice that food deprivation or optogenetic activation of AgRP neurons induces feeding to overcome the appetite suppressing effects of amylin, CCK, and LiCl, but not LPS. AgRP neuron photostimulation can also increase feeding during chemogenetic-mediated stimulation of PBN CGRP neurons. AgRP neuron stimulation reduces Fos expression in PBN CGRP neurons across all conditions. Finally, stimulation of projections from AgRP neurons to the PBN increases feeding following administration of amylin, CCK, and LiCl, but not LPS. These results demonstrate that AgRP neurons are sufficient to increase feeding during noninflammatory-based appetite suppression and to decrease activity in anorexigenic PBN CGRP neurons, thereby increasing food intake during homeostatic need. SIGNIFICANCE STATEMENT The motivation to eat depends on the relative balance of activity in distinct brain regions that induce or suppress appetite. An abnormal amount of activity in

Characterization of Al-Ti phases in cycled TiF{sub 3}-enhanced Na{sub 2}LiAlH{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Nakamura, Y. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway)]. E-mail: yumikon@ife.no; Fossdal, A. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway); Brinks, H.W. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway); Hauback, B.C. [Department of Physics, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller (Norway)

2006-06-08

TiF{sub 3}-enhanced Na{sub 2}LiAlH{sub 6} was investigated after dehydrogenation-hydrogenation cycles by synchrotron X-ray diffraction. There was no sign of Ti after ball-milling with TiF{sub 3}, but two types of Al-Ti phases were observed in the cycled samples. In a sample after measuring five pressure-composition isotherms in the temperature range from 170 to 250 deg. C, a fcc phase with a = 3.987 A was observed. This phase is considered to be Al{sub 3}Ti with the L1{sub 2} structure. Samples after one or four cycles at selected temperatures between 170 and 250 deg. C showed diffraction from another fcc phase with a {approx} 4.03 A. This indicates formation of an Al{sub 1-y}Ti {sub y} solid-solution phase with y {approx} 0.15 similar to previously reported for cycled NaAlH{sub 4} with Ti additives.

Application of a newly developed high-sensitivity HBsAg chemiluminescent enzyme immunoassay for hepatitis B patients with HBsAg seroclearance.

Science.gov (United States)

Shinkai, Noboru; Matsuura, Kentaro; Sugauchi, Fuminaka; Watanabe, Tsunamasa; Murakami, Shuko; Iio, Etsuko; Ogawa, Shintaro; Nojiri, Shunsuke; Joh, Takashi; Tanaka, Yasuhito

2013-11-01

We modified and automated a highly sensitive chemiluminescent enzyme immunoassay (CLEIA) for surface antigen (HBsAg) detection using a combination of monoclonal antibodies, each for a specific epitope of HBsAg, and by improving an earlier conjugation technique. Of 471 hepatitis B virus (HBV) carriers seen in our hospital between 2009 and 2012, 26 were HBsAg seronegative as determined by the Abbott Architect assay. The Lumipulse HBsAg-HQ assay was used to recheck those 26 patients who demonstrated seroclearance by the Abbott Architect assay. The performance of the Lumipulse HBsAg-HQ assay was compared with that of a quantitative HBsAg detection system (Abbott Architect) and the Roche Cobas TaqMan HBV DNA assay (CTM) (lower limit of detection, 2.1 log copies/ml) using blood serum samples from patients who were determined to be HBsAg seronegative by the Abbott Architect assay. Ten patients had spontaneous HBsAg loss. Of 8 patients treated with nucleotide analogues (NAs), two were HBsAg seronegative after stopping lamivudine therapy and 6 were HBsAg seronegative during entecavir therapy. Eight acute hepatitis B (AH) patients became HBsAg seronegative. Of the 26 patients, 16 were HBsAg positive by the Lumipulse HBsAg-HQ assay but negative by the Abbott Architect assay. The differences between the two assays in terms of detectable HBsAg persisted over the long term in the spontaneous loss group (median, 10 months), the NA-treated group (2.5 months), and the AH group (0.5 months). In 9 patients, the Lumipulse HBsAg-HQ assay detected HBsAg when HBV DNA was negative by the CTM assay. HBsAg was also detected by the Lumipulse HBsAg-HQ assay in 4 patients with an anti-HBs concentration of >10 mIU/ml, 3 of whom had no HBsAg escape mutations. The automatic, highly sensitive HBsAg CLEIA Lumipulse HBsAg-HQ is a convenient and precise assay for HBV monitoring.

Topotactic synthesis, structure and magnetic properties of a new hexagonal polytype of silver cobaltate(III) AgCoO2+δ

International Nuclear Information System (INIS)

Muguerra, Herve; Colin, Claire; Anne, Michel; Julien, Marc-Henri; Strobel, Pierre

2008-01-01

A new form of delafossite-type AgCoO 2+δ was prepared using ion exchange from Na 0.75 CoO 2 in molten AgNO 3 -NH 4 NO 3 at 175 deg. C. Its structure was determined by the Rietveld refinement from X-ray powder diffraction measurements (XRD) data; it is hexagonal, space group P6 3 /mmc, a=2.871 and c=12.222 A. Its structure differs from previously reported AgCoO 2 (R3-barm, 3R polytype) by the stacking of Co-O layers; in the new phase, the 2H stacking of the precursor Na 0.75 CoO 2 is consistent with a topotactic ion exchange of Na by Ag. The new phase is found to contain a slight oxygen excess (δ=0.06). Magnetic susceptibility measurements show the absence of magnetic transition and a weak Curie term, consistent with the non-magnetic character of Co 3+ ions. - Graphical abstract: Comparison of the structures of high-temperature AgCoO 2 (left, 3R structure) and of new AgCoO 2+∂ (IE) (right, 6H structure). The latter is obtained topotactically from Na 0.7 CoO 2 by ion exchange in molten nitrates. Detailed studies showed that AgCoO 2+∂ (IE) is slightly over-stoichiometric in oxygen (∂=0.06)

Mechanochemically driven nonequilibrium processes in MNH2-CaH2 systems (M = Li or Na)

International Nuclear Information System (INIS)

Dolotko, Oleksandr; Zhang Haiqiao; Li Sa; Jena, Puru; Pecharsky, Vitalij

2010-01-01

Mechanochemical transformations of lithium and sodium amides with calcium hydride have been investigated using gas volumetric analysis, X-ray powder diffraction, and residual gas analysis. The overall mechanochemical transformations are equimolar, and they proceed as the following solid state reaction: MNH 2 + CaH 2 → CaNH + MH + H 2 , where M = Li or Na. The transformation kinetics of the lithium containing system is markedly faster compared to the system with sodium. The difference in the rates of solid state transformations, and therefore, in hydrogen release kinetics can be explained by difference in mobility of lithium and sodium atoms. Total energies and enthalpies of formation for different reaction products during the dehydrogenation of CaH 2 -MNH 2 mixtures were calculated using density functional theory. Compared to thermochemical transformations, which proceed in accordance with thermodynamic equilibrium, reactions induced by mechanical energy drive the MNH 2 -CaH 2 systems to nonequilibrium configurations with different final products.

Study of the 6Li+16O light heavy-ion system around the Coulomb barrier

International Nuclear Information System (INIS)

Glasner, K.; Ricken, L.; Kuhlmann, E.

1986-01-01

Total cross sections of the light heavy-ion reactions 16 O( 6 Li,p) 21 Ne, i=0-10, have been measured for beam energies Esub(Li)=4.5-8.0 MeV in steps of 100 keV. Additional excitation functions of the inclusive reactions 16 O( 6 Li,xy), x=p, n and α, were taken for Esub(li)=4.1-12.5 MeV. The 6 Li+ 16 O reaction can be understood as a predominant compound-nucleus process as extensive Hauser-Feshbach calculations show. A comprehensive statistical analysis yields a coherence width GAMMA=130+-20 keV for Esub(x)( 22 Na)approx.=19 MeV. Statistically significant deviations from pure fluctuation phenomena are found in most excitation functions at Esub(x)( 22 Na)=17.9, 18.4, 19.2 and 20.2 MeV. Interpreting these structures with widths 400<=GAMMAsub(tot)<=800 keV as intermediate-width resonances in terms of rotational band, tentative spin assignments can be given. (orig.)

High rate performance of LiMn2O4 cathodes for lithium ion batteries synthesized by low temperature oxygen plasma assisted sol–gel process

International Nuclear Information System (INIS)

Chen, C.-L.; Chiu, K.-F.; Chen, Y.-R.; Chen, C.C.; Lin, H.C.; Chiang, H.Y.

2013-01-01

Nano-crystalline LiMn 2 O 4 thin films have been synthesized by the sol–gel process at low temperature (623 K). The low temperature prepared films are treated by a direct current pulsed oxygen plasma, and tested as cathodes for lithium batteries. The plasma treated films are able to sustain charge–discharge cycles under significant high current density of up to 5.4 A/g corresponding to 45 C for battery operation. The capacity ratio for discharging at 1.2 A/g and 0.024 A/g is over 65%, indicating low internal resistance, which meets the requirement of fast charge and discharge for electric vehicles. The stable high current density performances can be attributed to the formation of a dense surface morphology that is induced by the plasma irradiation. The formation of the surface morphology results in the more uniform current distribution on the film surface, which decreases the interface charge transfer resistances as measured by the electrochemical impedance spectra. - Highlights: • A low temperature process has been used to synthesize LiMn 2 O 4 thin films. • Plasma treatment can reduce the interface charge transfer resistances for LiMn 2 O 4 . • LiMn 2 O 4 cathodes treated by plasma treatment can deliver high rate capability

Ion Exchange Properties of Georgian Natural Zeolites

Directory of Open Access Journals (Sweden)

Vladimer Tsitsishvili

2017-06-01

Full Text Available Ion-exchange properties of natural zeolites of Georgia with a relatively low Si/Al ratio have been studied: analcimes are characterized by selectivity series: Na+>K+>Ag+>NH4+>Ca+2>Sr+2>Li+; for phillipsites selectivity sequences are different for calcium- and potassium forms; selectivity sequence for scolecite is: Sr+2>Ba+2>Rb+>Ca+2>Cs+>K+>NH4+>Na+>Mg+2>Li+>Cd+2>Cu+2> Mn+2> Zn+2>Co+2>Ni+2.

Heat transfer measurements in a forced convection loop with two molten-fluoride salts: LiF--BeF2--ThF2--UF4 and eutectic NaBF4--NaF

International Nuclear Information System (INIS)

Silverman, M.D.; Huntley, W.R.; Robertson, H.E.

1976-10-01

Heat transfer coefficients were determined experimentally for two molten-fluoride salts [LiF-BeF 2 -ThF 2 -UF 4 (72-16-12-0.3 mole %) and NaBF 4 -NaF (92-8 mole %] proposed as the fuel salt and coolant salt, respectively, for molten-salt breeder reactors. Information was obtained over a wide range of variables, with salt flowing through 12.7-mm-OD (0.5-in.) Hastelloy N tubing in a forced convection loop (FCL-2b). Satisfactory agreement with the empirical Sieder-Tate correlation was obtained in the fully developed turbulent region at Reynolds moduli above 15,000 and with a modified Hausen equation in the extended transition region (Re approx.2100-15,000). Insufficient data were obtained in the laminar region to allow any conclusions to be drawn. These results indicate that the proposed salts behave as normal heat transfer fluids with an extended transition region

Electrochemical characterization of LiCoO2 as rechargeable electrode in aqueous LiNO3 electrolyte

KAUST Repository

Ruffo, Riccardo

2011-06-01

The development of lithium ion aqueous batteries is getting renewed interest due to their safety and low cost. We have demonstrated that the layer-structure LiCoO2 phase, the most commonly used electrode material in organic systems, can be successful delithiated and lithiated again in a water-based electrolyte at currents up to 2.70 A/g. The capacity is about 100 mAh/g at 0.135 A/g and can be tuned by cycling the electrode in different potential ranges. In fact, increasing the high cut-off voltage leads to higher specific capacity (up to 135 mAh/g) but the Coulomb efficiency is reduced (from 99.9% to 98.5%). The very good electrode kinetic is probably due to the high conductivity of the electrolyte solution (0.17 Scm- 1 at 25 °C) but this behavior is affected by the electrode load. © 2010 Elsevier B.V. All rights reserved.

Laser-diode-excited blue upconversion in Tm3+/Yb3+ -codoped TeO2-Ga2O3-R2O (R=Li, Na, K) glasses.

Science.gov (United States)

Zhao, Chun; Zhang, Qinyuan; Yang, Gangfeng; Jiang, Zhonghong

2008-01-01

This paper reports on intense blue upconversion in Tm(3+)/Yb(3+) codoped TeO(2)-Ga(2)O(3)-R(2)O(R=Li, Na, K) glasses upon excitation with commercial available laser diode (LD). Effects of alkali ions on the Raman spectra, thermal stability and spectroscopic properties of the tellurite-gallium glasses have also been investigated. Energy transfer and the involved upconversion mechanisms have been discussed. Intense blue upconversion emission centered at 476 nm along with a weak red emission at 650 nm has been observed upon excitation of 977 nm LD, assigned to the transitions of 1G4-->3H6, and 1G4-->3H4 and/or 3F(2,3)-->3H6 of Tm(3+), respectively. The blue upconversion intensity has a cubelike dependence on incident pump laser power, indicating a three-photon process. However, a quadratic dependence of the 476 nm upconversion intensity on the incident pump laser power has been observed when samples under excitation of 808 nm LD due to a two-photon absorption process. Enhanced upconversion luminescence have been observed with replacing K(+) for Na(+) and Li(+).

Measurement of surface phonon dispersion relations for LiF, NaF, and KCl through energy-analysed inelastic scattering of a helium atomic beam

International Nuclear Information System (INIS)

Doak, R.B.

1981-01-01

A crystal surface terminates abruptly one dimension of lattice periodicity, constituting a lattice defect with concomitant localized modes of vibration, termed surface phonons. Such surface phonons have previously been investigated in the long wavelength, non-dispersive regime. The present work reports the first observation of surface phonons in the short wavelength, dispersive range. The data allow for the first time a surface phonon dispersion curve to be plotted completely from origin to edge of the surface Brillouin zone. Measurements were made of phonons along the (anti GAMMA anti M) and (anti GAMMA anti X) azimuths of the LiF(001) surface and along the azimuth of NaF(001) and KC1(001) surfaces. The results are in substantial agreement with theoretical predictions, although for LiF the measured Rayleigh dispersion curve at M lies appreciably below the theoretical value, possibly reflecting the effects of surface relaxation. (orig.)

Electrochemical corrosion behaviour of lead-free Sn-8.5 Zn-X Ag-0.1 Al-0.5 Ga solder in 3.5% NaCl solution

International Nuclear Information System (INIS)

Mohanty, Udit Surya; Lin, K.-L.

2005-01-01

The electrochemical corrosion behaviour of Pb-free Sn-8.5 Zn-X Ag-0.1 Al-0.5 Ga solder in 3.5% NaCl solution was investigated by using potentiodynamic polarization methods, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) analysis. The results obtained from polarization studies showed that an increase in the Ag content from 0.1 to 1.5 wt% decreased the corrosion current density (I corr ) and shifted the corrosion potential (E corr ) towards more noble values. These changes were also reflected in the linear polarization resistance (LPR), corrosion rate, anodic Tafel slope (b A ) and the cathodic Tafel slope (b c ) values, respectively. Passivation behaviour was noted in the Sn-Zn-X Ag-Al-Ga solders with Ag content > 0.1 wt%. The oxides and hydroxides of zinc were responsible for the formation of passive film. Presence of Ag atoms in the oxide layer also improved the passivation behaviour of solders to a certain extent. X-ray photoelectron spectroscopy revealed that two different oxygen species were formed on the surface films, one was assigned to OH - in Zn(OH) 2 and the other to O 2 - in ZnO. XPS depth profile results revealed that the two species had different depth distribution in the films. SEM and EDX analyses confirmed SnCl 2 as the major corrosion product formed after the electrochemical experiments

Ag+ implantation in Al2O3, LiNbO3 and quartz

International Nuclear Information System (INIS)

Rahmani, M.; Townsend, P.D.

1989-01-01

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

Highly-crystalline ultrathin Li4Ti5O12 nanosheets decorated with silver nanocrystals as a high-performance anode material for lithium ion batteries

Science.gov (United States)

Xu, G. B.; Li, W.; Yang, L. W.; Wei, X. L.; Ding, J. W.; Zhong, J. X.; Chu, Paul K.

2015-02-01

A novel composite of highly-crystalline ultrathin Li4Ti5O12 (LTO) nanosheets and Ag nanocrystals (denoted as LTO NSs/Ag) as an anode material for Li-ion batteries (LIBs) is prepared by hydrothermal synthesis, post calcination and electroless deposition. The characterizations of structure and morphology reveal that the LTO nanosheets have single-crystal nature with a thickness of about 10 nm and highly dispersed Ag nanocrystals have an average diameter of 5.8 nm. The designed LTO NSs/Ag composite takes advantage of both components, thereby providing large contact area between the electrolyte and electrode, low polarization of voltage difference, high electrical conductivity and lithium ion diffusion coefficient during electrochemical processes. The evaluation of its electrochemical performance demonstrates that the prepared LTO NSs/Ag composite has superior lithium storage performance. More importantly, this unique composite has an ability to deliver high reversible capacities with superlative cyclic capacity retention at different current rates, and exhibit excellent high-rate performance at a current rate as high as 30 C. Our results improve the current performance of LTO based anode material for LIBs.

Processing of Vietnamese lithium ores to produce LiCl

International Nuclear Information System (INIS)

Dinh, Thi Thu Hien

2015-01-01

A potential lithium deposit has been discovered in the La Vi mining district, located in Quang Ngai Province, Central Vietnam. The Li-rich rocks (average contents: 1.3±0.9 wt.% Li 2 O) are highly fractionated, peraluminous granites, which are further characterized by high contents of Al 2 O 3 , Na 2 O, K 2 O, F, and P 2 O 5 , but very low concentrations of all other main components (MgO, CaO, Fe 2 O 3 tot, TiO 2 ). The granites exhibit a light pink color and contain mainly albite, quartz, muscovite, lithian muscovite, and lepidolite, with minor amounts of amblygonite-montebrasite, herderite, fluorapatite, topaz, and cassiterite, and accessory beryl and goyazite. Lepidolite from La Vi deposit was extracted to produce lithium chloride by using iron II sulphide (FeS)-CaO roasting and water leaching. The HSC program was applied for the simulation of the behavior of lepidolite and the additives during roasting, confirming the important role of SO 2 /SO 3 gas for extracting lithium from lepidolite. At optimum conditions roasting at 750 C using FeS/Li and Ca/F molar ratios of 5:1 and 1:1, respectively, followed by leaching at 50 C using water/calcine mass ratios of >5:1 could yield a maximum of ∝85% Li recovery (at <1 g/L Li concentration). Addition of CaO led to a decrease in the liberation of HF gas and insoluble LiF formation. NaOH and BaCl 2 were used for removing the metal and sulphate impurities from the leach liquor by precipitation at ambient temperature. The efficiency of lithium extraction reached ∝100 % with washing of the precipitates after filtering. Alkali salts were separated from the LiCl solution via solar evaporation and isopropanol leaching. 96.3 wt.% LiCl could be produced using an isopropanol/salt mass ratio of 5:1 at ambient temperature in 3 h.

Processing of Vietnamese lithium ores to produce LiCl

Energy Technology Data Exchange (ETDEWEB)

Dinh, Thi Thu Hien

2015-11-16

A potential lithium deposit has been discovered in the La Vi mining district, located in Quang Ngai Province, Central Vietnam. The Li-rich rocks (average contents: 1.3±0.9 wt.% Li{sub 2}O) are highly fractionated, peraluminous granites, which are further characterized by high contents of Al{sub 2}O{sub 3}, Na{sub 2}O, K{sub 2}O, F, and P{sub 2}O{sub 5}, but very low concentrations of all other main components (MgO, CaO, Fe{sub 2}O{sub 3}tot, TiO{sub 2}). The granites exhibit a light pink color and contain mainly albite, quartz, muscovite, lithian muscovite, and lepidolite, with minor amounts of amblygonite-montebrasite, herderite, fluorapatite, topaz, and cassiterite, and accessory beryl and goyazite. Lepidolite from La Vi deposit was extracted to produce lithium chloride by using iron II sulphide (FeS)-CaO roasting and water leaching. The HSC program was applied for the simulation of the behavior of lepidolite and the additives during roasting, confirming the important role of SO{sub 2}/SO{sub 3} gas for extracting lithium from lepidolite. At optimum conditions roasting at 750 C using FeS/Li and Ca/F molar ratios of 5:1 and 1:1, respectively, followed by leaching at 50 C using water/calcine mass ratios of >5:1 could yield a maximum of ∝85% Li recovery (at <1 g/L Li concentration). Addition of CaO led to a decrease in the liberation of HF gas and insoluble LiF formation. NaOH and BaCl{sub 2} were used for removing the metal and sulphate impurities from the leach liquor by precipitation at ambient temperature. The efficiency of lithium extraction reached ∝100 % with washing of the precipitates after filtering. Alkali salts were separated from the LiCl solution via solar evaporation and isopropanol leaching. 96.3 wt.% LiCl could be produced using an isopropanol/salt mass ratio of 5:1 at ambient temperature in 3 h.

FeSi4P4: A novel negative electrode with atypical electrochemical mechanism for Li and Na-ion batteries

Science.gov (United States)

Coquil, Gaël; Fullenwarth, Julien; Grinbom, Gal; Sougrati, Moulay Tahar; Stievano, Lorenzo; Zitoun, David; Monconduit, Laure

2017-12-01

The electrochemical mechanism and performance of FeSi4P4, vs. Na and Li were studied using a combination of operando X-ray diffraction, 57Fe Mössbauer spectroscopy, and SQUID magnetometry. This silicon- and phosphorous-rich material exhibits a high capacity of 1750 mAh/g, retaining 1120 mAh/g after 40 cycles, and reacts through an original reversible mechanism surprisingly involving only slight changes in the chemical environment of the iron. Magnetic measurements and 57Fe Mössbauer spectroscopy at low temperature reveal the reversible but incomplete change of the magnetic moment upon charge and discharge. Such a mild reversible process without drastic phase transition (with the exception of the crystalline to amorphous transition during the first lithiation) can explain the satisfying capacity retention. The electrochemical mechanism appears thus to be significantly different from the classical conversion or alloying/dealloying mechanisms usually observed in Lithium ion batteries for p-group element based materials. The same iron silicon phosphide electrode shows also interesting but significantly lower performance vs. Na, with a limited capacity retention 350 mAh/g.

Synthesis and properties of the metallo-supramolecular polymer hydrogel poly[methyl vinyl ether-alt-mono-sodium maleate]·AgNO3: Ag+/Cu2+ ion exchange and effective antibacterial activity

KAUST Repository

Xu, Feng

2014-01-01

The commercial polymeric anhydride poly(methyl vinyl ether-alt-maleic anhydride) (PVM/MA) is converted by reaction with NaOH to give poly(methyl vinyl ether-alt-mono-sodium maleate) (PVM/Na-MA). By addition of AgNO 3-solution, the formation of the silver(i) supramolecular polymer hydrogel poly[methyl vinyl ether-alt-mono-sodium maleate]·AgNO 3 is reported. Freeze-dried samples of the hydrogel show a mesoporous network of polycarboxylate ligands that are crosslinked by silver(i) cations. In the intact hydrogel, ion-exchange studies are reported and it is shown that Ag+ ions can be exchanged by copper(ii) cations without disintegration of the hydrogel. The silver(i) hydrogel shows effective antibacterial activity and potential application as burn wound dressing. © the Partner Organisations 2014.

Electrochemical behavior of Th(IV) and its electrodeposition from ThF_4-LiCl-KCl melt

International Nuclear Information System (INIS)

Wang, Xianbin; Huang, Wei; Gong, Yu; Jiang, Feng; Zheng, Haiyang; Zhu, Tiejian; Long, Dewu; Li, Qingnuan

2016-01-01

The electrochemical behavior of Th(IV) ion on molybdenum (Mo) electrode was studied by cyclic voltammetry (CV) and square wave voltammetry (SWV) technologies at 773 K in ThF_4-LiCl-KCl melt. The reduction of Th(IV) to metal Th at −1.67 V (vs. Ag/AgCl) is a four-electron exchange process, which is quasi-reversible and diffusion-controlled. The diffusion coefficient (D) and activation energy of diffusion process for Th(IV) were determined to be 3.77 × 10"−"5 cm"2 s"−"1 and 59.2 kJ mol"−"1. The pulse potential electrolysis of ThF_4-LiCl-KCl melt revealed that 86.8% of Th(IV) can be separated from the melt based on the inductively coupled plasma atomic emission spectrometer (ICP-AES) results.

Highly efficient red-emitting BaMgBO3F:Eu3+,R+ (R: Li, Na, K, Rb) phosphor for near-UV excitation synthesized via glass precursor solid-state reaction

Science.gov (United States)

Shinozaki, Kenji; Akai, Tomoko

2017-09-01

Eu3+-doped fluoroborate crystals of BaMgBO3F were synthesized by a solid-state reaction using a glassy precursor material, and their photoluminescence (PL) was investigated. To compensate for the incorporation of Eu3+ into Ba2+ sites, samples codoped with alkali ions (Li+, Na+, K+, Rb+) were also prepared. The Eu3+-doped sample showed red PL with a quantum yield (QY) of 65% caused by near-UV excitation (λ = 393 nm), and PL intensity and QY increased with the codoping of Eu3+ and alkali ions. It was found that the Eu3+,Li+-codoped sample showed the highest PL intensity and a QY of 83%.

Preferential solvation of single ions in mixed solvents: Part 1. New experimental approach and solvation of monovalent ions in methanol-water and acetonitrile-water mixture. Part 2. Theoretical computation and comparison with experimental data

International Nuclear Information System (INIS)

Rege, Aarti C.; Venkataramani, B.; Gupta, A.R.

1999-06-01

Preferential solvation of single ion solutions has been studied with Li + , Na + , K + and Ag +- forms of Dowex 50W resins of different cross-linkings in methanol-water and acetonitrile (AN)- water mixtures. The solvent uptake by this alkali metal ionic forms of Dowex 50W resins was studied in an isopiestic set-up using 2,4,6 and 8 m LiCl solutions in 11.0, 20.8, 44.3 and 70.2 % (w/w) methanol-water mixtures and that of Na +- and Ag +- forms using 14.6 to 94.3 % (w/w) AN - water mixtures. The solvent sorbed in the resin phase was extracted by Rayleigh-type distillation and analysed gas chromatographically. The data were analysed by the N s (mole fraction of the organic solvent in the resin phase) vs n t au (total solvent content in the resin phase) plots and separation factor, alpha(ratio of mole fraction of the solvents in the resin and solution phases) or N s vs m (molality in the resin phase) plots. The limiting values of these plots gave the composition of the solvent in the primary solvation shell around the single ion. The compositions of the primary solvation shell around Li + , Na + , and K + in methanol-water mixtures and Na + and Ag + in acetonitrile (AN) - water mixtures have been computed using Franks equation and the approach of Marcus and compared with the experimental results obtained with the above mentioned ionic forms of Dowex 50W resins in different mixed solvents. The experimental results for Li + showed good agreement with the values computed using Franks equation for all methanol-water composition. However, in the case of Na + and K + in methanol-water mixtures and Na + in AN-water mixtures, there was agreement only at lower organic solvent content and the Franks equation predicted higher values for the organic solvent in the primary solvation shell around the cation at higher organic solvent content as compared to experimental results

Enhancing hybrid direct carbon fuel cell anode performance using Ag2O

DEFF Research Database (Denmark)

Deleebeeck, Lisa; Ippolito, Davide; Kammer Hansen, Kent

2015-01-01

A hybrid-direct carbon fuel cell (HDCFC), consisting of a molten slurry of solid carbon black and (Li-K)2CO3 added to the anode chamber of a solid oxide fuel cell, was characterized using current-potential-power density curves, electrochemical impedance spectroscopy, and cyclic voltammetry. Two...... types of experimental setups were employed in this study, an anode-supported full cell configuration (two electrodes, two atmospheres setup) and a 3-electrode electrolyte-supported half-cell setup (single atmosphere). Anode processes with and without catalysts were investigated as a function...... of temperature (700-800 °C) and anode sweep gas (N2, 4-100% CO2 in N2-CO2). It was shown that the addition of silver based catalysts (Ag, Ag2O, Ag2CO3) into the carbon-carbonate slurry enhanced the performance of the HDCFC....

Silver segregation in Ag/a-C nanocomposite coatings for potential application as antibacterial surfaces

Science.gov (United States)

Manninen, Noora Kristiina Alves de Sousa

O desenvolvimento de superficies antibacterianas representa um desafio atual em diferentes aplicacoes industriais, nomeadamente, dispositivos medicos, embalagens alimentares, texteis e sistemas de tratamento de agua. A maioria das bacterias existe em biofilmes que aderem fortemente a diferentes tipos de superficies uma vez que esta adesao representa um mecanismo estrategico de sobrevivencia. O fenomeno da adesao e colonizacao microbiana resulta na falha de diferentes dispositivos e componentes utilizados nas aplicacoes acima mencionadas, tendo como consequencia perdas economicas elevadas e representando tambem um problema de saude publica quando se tratam de aplicacoes como dispositivos medicos ou embalagens alimentares. Neste sentido, ao longo das ultimas decadas o desenvolvimento de superficies antibacterianas tem sido considerada uma estrategia emergente no desenvolvimento de materiais mais eficientes a serem aplicados em diferentes sectores. O objetivo da presente tese consiste no desenvolvimento e caracterizacao de revestimentos nanocompositos multifuncionais baseados em revestimentos de carbono amorfo dopado com nanoparticulas de prata (Ag/a-C) para potencial aplicacao em superficies antibacterianas. A Ag e atualmente considerada como o agente bactericida mais promissor e eficiente, sendo que as nanoparticulas de prata representam o material mais comercializado na area da nanotecnologia. A estrategia de modificacao superficial com revestimentos baseados em carbono amorfo (a-C) tem-se tornado popular do ponto de vista industrial essencialmente, devido entre outras propriedades, a sua resistencia ao desgaste tribologico excecional, que permite combinar uma elevada dureza com um baixo coeficiente de atrito, elevada estabilidade quimica, resistencia a corrosao e biocompatibilidade em diferentes aplicacoes biomedicas. Na atualidade os revestimentos de a-C sao utilizados em diferentes aplicacoes industriais nomeadamente dispositivos medicos, laminas de barbear e

The stability of high-Tc BSCCO/Ag superconducting microcomposites in water, some inorganic solutions and organic solvents

International Nuclear Information System (INIS)

Gao, W.; Chen, J.; Yang, C.O.; McNabb, D.; Sande, J. vander

1992-01-01

Bi(Pb)-Sr-Ca-Cu-O/Ag (BSCCO/Ag) superconducting microcomposites with zero-resistance temperatures from 102 to 108 K and critical current densities of ∝600 A/cm 2 at 77 K were produced by oxidation and annealling of metallic precursor alloys. The stabilities and degradation behavior of BSCCO/Ag specimens in various environments were studied by a combination of mass loss measurement, electrical transport measurement and microstructural observation. The environmental conditions used in the present work were moist air, distilled water, aqueous solutions of NaCl, NaOH and acetic acid, and organic solvents methanol and acetone. Although there is a general tendency toward a decrease in critical current density after a long exposure to most of the testing conditions, the specimens containing a high percent of Ag (≥70 wt.%) showed very little decrease in Tc and J c up to 200 days of exposure in moist air and distilled water, and up to 20 days in NaCl solution, methanol and acetone. It was found that the superconducting ''2223'' phase is stable in water, neutral solutions and the organic solvents, reacts very slowly with basic solutions, and dissolves rapidly in acidic solutions. Some non-superconducting Ca-rich oxides dissolve in water and neutral and basic solutions and therefore damage the connection of the superconducting grains in low-Ag containing specimens. The excellent stability of the BSCCO/Ag superconducting microcomposites containing high Ag provides an important advantage for their potential industrial application. (orig.)

[6-chloro-3-pyridylmethyl-3H]neonicotinoids as high-affinity radioligands for the nicotinic acetylcholine receptor: preparation using NaB3H4 and LiB3H4

International Nuclear Information System (INIS)

Latli, Bachir; Casida, J.E.

1996-01-01

NaB 3 H 4 and LiB 3 H 4 at 78% and 97% isotopic enrichments, respectively, were used in the synthesis of 3 H-labeled 1-(6-chloro-3-pyridyl)-methyl-2-nitromethyleneimidazolidine (CH-IMI) and N'-[(6-chloro-3-pyridyl)methyl]-n''-cyano-n'-methylacetamidine (acetamiprid) (two very potent insecticides) and of 1-(6-chloro-3-pyridyl)methyl-2-iminoimidazolidine (desnitro-IMI) (a metabolite of the commercial insecticides imidacloprid). 6-Chloronicotinoyl chloride was treated with either NaB 3 H 4 in methanol or LiB 3 H 4 in tetrahydrofuran and the resulting alcohol transformed to 2-chloro-5-chloromethylpyridine, which was then coupled to N-cyano-N'-methylacetamidine to give [ 3 H] acetamiprid (45 Ci/mmol). 2-Chloro-5-chloro[ 3 H]methylpyridine was also reacted with ethylenediamine and the product was either refluxed in absolute ethanol with 1,1-bis(methylthio)-2-nitro-ethylene to provide [ 3 H]CH-IMI or reacted in toluene with a solution of cyanogen bromide to produce [ 3 H] desnitro-IMI (each 55 Ci/mmol. (author)

Recombination luminescence of Cu and/or Ag doped lithium tetraborate single crystals

Energy Technology Data Exchange (ETDEWEB)

Romet, I. [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); Aleksanyan, E. [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); A. Alikhanyan National Science Laboratory, 2 Br. Alikhanyan Str., 0036 Yerevan (Armenia); Brik, M.G. [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); College of Sciences, Chongqing University of Posts and Telecommunications, 400065 Chongqing (China); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Corradi, G. [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Konkoly-Thege M. út 29-33, H-1121 Budapest (Hungary); Kotlov, A. [Photon Science at DESY, Notkestrasse 85, 22607 Hamburg (Germany); Nagirnyi, V., E-mail: vitali.nagirnoi@ut.ee [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); Polgár, K. [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Konkoly-Thege M. út 29-33, H-1121 Budapest (Hungary)

2016-09-15

Complex investigations of thermostimulated luminescence (TSL) and radioluminescence properties of Li{sub 2}B{sub 4}O{sub 7} (LTB), LTB:Cu, LTB:Ag and LTB:Cu, Ag crystals suitable for tissue equivalent dosimeters were carried out in the temperature range 4.2–700 K. TSL, cathodoluminescence and X-ray excited luminescence spectra are compared to those measured under photoexcitation. The emission band at 4.6 eV in LTB:Ag is reliably related to Ag{sup +} ions based on the comparison of the results of optical spectroscopy studies and first principle calculations. Energy transfer from the relaxed exited state of the Ag{sup +} ion to the Cu{sup +} ion in double-doped LTB:Cu, Ag crystals is demonstrated. Thermostimulated recombination of charge carriers in irradiated crystals is seen to take place mainly at oxygen sites at low temperatures and at impurity sites at high temperatures. For the first time, the appearance of the low-temperature TSL peak at 90 K is assigned to ionic processes in LTB crystals. The appearance of pyroelectric flashes due to the lattice relaxation in the temperature region 90–240 K is demonstrated and their surface-related nature clarified. In accordance with EPR studies the dosimetric TSL peaks in copper and silver doped LTB crystals are attributed to thermally released electrons recombining with Cu{sup 2+} and Ag{sup 2+} centres.

X-ray diffraction analysis of LiCu2O2 crystals with additives of silver atoms

International Nuclear Information System (INIS)

Sirotinkin, V. P.; Bush, A. A.; Kamentsev, K. E.; Dau, H. S.; Yakovlev, K. A.; Tishchenko, E. A.

2015-01-01

Silver-containing LiCu 2 O 2 crystals up to 4 × 8 × 8 mm in size were grown by the crystallization of 80(1-x)CuO · 20 x AgNO 3 · 20Li 2 CO 3 (0 ≤ x ≤ 0.5) mixture melt. According to the X-ray spectral and Rietveld X-ray diffraction data, the maximum amount of silver incorporated in the LiCu 2 O 2 structure is about 4 at % relative to the copper content. It was established that silver atoms occupy statistically crystallographic positions of lithium atoms. The incorporation of silver atoms is accompanied by a noticeable increase in parameter c of the LiCu 2 O 2 rhombic unit cell, a slight increase in parameter a, and a slight decrease in parameter b

Electrochemical Behavior of LiBr, LiI, and Li2Se in LiCl Molten Salt

International Nuclear Information System (INIS)

Choi, In Kyu; Do, Jae Bum; Hong, Sun Seok; Seo, Chung Seok

2006-03-01

The effect of fission products on the electrolytic reduction of uranium oxide has been studied. It has been reported that volatile fission products, such as Br, I, and Se, react with Li metal which is a reductant in the process to give LiBr, LiI, and Li 2 Se. These compounds are dissociated as corresponding anions and cations in the LiCl molten salt at 650 .deg. C. In this experiment, oxidation and reduction reaction of 3wt% of each compound in LiCl molten salt were investigated by cyclic voltammetry. For LiBr, redox reactions of cation and anion were reversible, while redox reactions of Li + and I - were irreversible. For Li 2 Se, about half of the produced Li metal was disappeared at the cathode and two anodic current curves were appeared. After the cyclic voltammetric measurements for each compound, chronopotentiometric experiment was carried out for one hour with 100 - 400 mA. After the electrolysis, no compounds gave Li metal in the porous MgO filter in which Li metal was produced at the cathode. However, LiCl salt was covered with Br 2 for LiBr electrolysis. Dark red color of Br 2 was easily removed by water. For LiI electrolysis, salt gave black color and I 2 was deposited on the Pt anode. For Li 2 Se electrolysis, black fine powders were precipitated in the salt. After the separation and dryness of the precipitates, it was analyzed with XRD and it turned out PtSe 2 . From the electrochemical experimental results, it was concluded that these compounds may affect the electrolytic reduction process of uranium oxide in the spent fuel

Structural and electrochemical characterization of 0.7LiFePO4·0.3Li3V2(PO4)3/C cathode materials using PEG and glucose as carbon sources

International Nuclear Information System (INIS)

Ma, Pingping; Hu, Pu; Liu, Zhijian; Xia, Jianhua; Xia, Dingguo; Chen, Yu; Liu, Zhengang; Lu, Zhichao

2013-01-01

0.7LiFePO 4 ·0.3Li 3 V 2 (PO 4 ) 3 /C composites (LFVP/C) were synthesized via spray-drying technique followed by solid-state reaction approach using polyethylene glycol (PEG) and glucose as carbon sources. The samples were characterized by X-ray diffraction (XRD), X-ray absorption fine-structure spectroscopy (XAFS) and Raman spectroscopy. The results show that the bi-phase composite structure of LFVP/C contains olivine LiFePO 4 (LFP) and monoclinic Li 3 V 2 (PO 4 ) 3 (LVP). The lower intensity ratio of the I D /I G and A sp 3 /A sp 2 for PEG-200 indicates the formation of higher degree of graphitized carbon during the process, which would enhance the electronic conductivity. The composite obtained using PEG-200 as carbon source show excellent rate performance, delivering the discharge capacity of 120 mAh/g at the current density of 1.5 A/g

Excellent selector performance in engineered Ag/ZrO2:Ag/Pt structure for high-density bipolar RRAM applications

Directory of Open Access Journals (Sweden)

Chao Wang

2017-12-01

Full Text Available A high-performance selector with bidirectional threshold switching (TS characteristics of Ag/ZrO2/Pt structure was prepared by incorporating metallic Ag into the ZrO2 matrix. The bidirectional TS device exhibited excellent switching uniformity, forming-free behavior, ultra-low off current of <1 nA and adjustable selectivity (from 102 to 107. The experiment results confirmed that metallic Ag clusters were penetrated into the ZrO2 matrix during the annealing process, which would function as an effective active source responsible for the bidirectional TS. The volatile behavior could be explained by the self-dissolution of unstable filaments caused by minimization of the interfacial energy and thermal effect. Furthermore, a bipolar-type one selector-one resistor (1S-1R memory device was successfully fabricated and exhibited significant suppression of the undesired sneak current, indicating the great potential as selector in a cross-point array.

Glass-ceramic enamels derived from the Li2O-Na2O-Al2O3-TiO2-SiO2 system

Directory of Open Access Journals (Sweden)

SNEZANA R. GRUJIC

2002-02-01

Full Text Available The results of research on the conditions for obtaining model glass-ceramic enamels, derived from the basic Li2O-Na2O-Al2O3-TiO2-SiO2 system, by varying the initial composition and thermal treatment conditions, are presented in this paper. Segregation of the crystal phases in the glassy-matrix was carried out during subsequent thermal treatment. The formation of different crystal phases was evidenced through the results of differential-thermal analysis and X-ray powder diffraction analysis.

Topotactic synthesis, structure and magnetic properties of a new hexagonal polytype of silver cobaltate(III) AgCoO2+\\delta

OpenAIRE

Muguerra, Hervé; Colin, Claire; Anne, Michel; Julien, M. -H.; Strobel, Pierre

2008-01-01

International audience; A new form of delafossite-type AgCoO2+δ was prepared using ion exchange from Na0.75CoO2 in molten AgNO3-NH4NO3 at 175°C. Its structure was determined by Rietveld refinement from XRD data; it is hexagonal, space group P63/mmc, a = 2.871 and c = 12.222 Å. Its structure differs from previously reported AgCoO2 (R-3m, 3R polytype) by the stacking of Co-O layers; in the new phase the 2H stacking of the precursor Na0.75CoO2, consistent with a topotactic ion exchange of Na by ...

Multilayered ion-imprinted membranes with high selectivity towards Li+ based on the synergistic effect of 12-crown-4 and polyether sulfone

Science.gov (United States)

Lu, Jian; Qin, Yingying; Zhang, Qi; Wu, Yilin; Cui, Jiuyun; Li, Chunxiang; Wang, Liang; Yan, Yongsheng

2018-01-01

High-selective multilayered Li+-imprinted membranes (Li-IIMs) with enhanced hydrophilicity and stability were developed based on polyether sulfone substrate membranes. The multilayered structure was prepared with polydopamine (pDA) as the interfacial adhesion layer, SiO2 nanoparticles as the hydrophilic layer and Li+-imprinted polymers as the imprinted layer. The selective ;Li+-recognition sites; were formed using 12-crown-4 (12C4) as the adsorbing units. The optimal relative selectivity coefficients (α) of Li+/Na+ and Li+/K+ reached up to 1.85 and 2.07 with the imprinting factor (β) of 2.51, and the high permselectivity factors (γ) of Na+/Li+ (7.39) and K+/Li+ (9.86) were achieved on Li-IIMs. The Langmuir isotherm model and the pseudo-second-order kinetics model best fitted the rebinding data of Li-IIMs, as well as the rebinding capacities reached up to 90.3% of initial binding after 5 cycles of adsorption/desorption and just declined to 88.1% after another 5 cycles a month later. Therefore, the as-prepared Li-IIMs would have potential applications for the separation of lithium ions from salt lake brines.

Competition among Li+, Na+, K+ and Rb+ Monovalent Ions for DNA in Molecular Dynamics Simulations using the Additive CHARMM36 and Drude Polarizable Force Fields

OpenAIRE

Savelyev, Alexey; MacKerell, Alexander D.

2015-01-01

In the present study we report on interactions of and competition between monovalent ions for two DNA sequences in MD simulations. Efforts included the development and validation of parameters for interactions among the first-group monovalent cations, Li+, Na+, K+ and Rb+, and DNA in the Drude polarizable and additive CHARMM36 force fields (FF). The optimization process targeted gas-phase QM interaction energies of various model compounds with ions and osmotic pressures of bulk electrolyte so...

Influência dos cátions lítio (Li + , sódio (Na + e potássio (K + na reologia de bentonitas brasileiras para uso em fluidos de perfuração base aquosa

Directory of Open Access Journals (Sweden)

I. A. da Silva

Full Text Available Resumo Os cátions lítio (Li+, sódio (Na+ e potássio (K+ encontram-se em primeiro lugar no plano de seletividade para a obtenção de bentonitas monocatiônicas a partir das policatiônicas, influenciando de forma específica o comportamento reológico dos fluidos de perfuração base água. O objetivo deste trabalho foi estudar a influência do Li+, Na+ e K+ na reologia de bentonitas do estado da Paraíba, Brasil, para uso em fluidos de perfuração à base de água. Os novos depósitos de bentonitas brasileiras foram comparados com base nas suas características químicas, físicas, mineralógicas, propriedades reológicas e de filtração. As amostras de bentonitas foram caracterizadas por meio da composição química através do método clássico, capacidade de troca de cátions, análise granulométrica por difração a laser, difração de raios X e análises térmicas. A reologia das dispersões foi estudada e determinadas as viscosidades aparente, viscosidade plástica e limite de escoamento com base nas normas da API e Petrobras, além dos estudos de inchamento em água e filtrado. Os resultados mostraram uma melhora significativa nas propriedades reológicas e de filtração das dispersões após a aditivação com os carbonatos de lítio e de sódio, nessa ordem, havendo presença de tixotropia nas curvas de fluxo das dispersões de argilas estudadas.

Structural characteristics of Mg-doped (1-x)(K0.5Na0.5)NbO3-xLiSbO3 lead-free ceramics as revealed by Raman spectroscopy

International Nuclear Information System (INIS)

Zhu, W L; Meng, Y; Pezzotti, G; Zhu, J L; Wang, M S; Zhu, B; Zhu, X H; Zhu, J G; Xiao, D Q

2011-01-01

This paper presents a Raman spectroscopic study of compositional-change-induced structure variation and of the related mechanism of Mg doping in LiSbO 3 (LS)-modified (K 0.5 Na 0.5 )NbO 3 (KNN) ceramics. With increasing LS content from 0 to 0.06, a discontinuous shift towards higher wavenumbers was found for the band position of the A 1g (v 1 ) stretching mode of KNN, accompanied by a clearly nonlinear broadening of this band and a decrease in its intensity. Such morphological changes in the Raman spectrum result from two factors: (i) changes in polarizability/binding strength of the O-Nb-O vibration upon incorporation of Li ions in the KNN perovskitic structure and (ii) a polymorphic phase transition (PPT) from orthorhombic to tetragonal (O → T) phase at x > 0.04. Upon increasing the amount, w, of Mg dopant incorporated into the (1-x)KNN-xLS ceramic structure, the intensity of the Raman bands are enhanced, while the peak position and the full width at half maximum of the A 1g (v 1 ) mode was found to experience a clear dependence on both w and x. Raman characterization revealed that the mechanism of Mg doping is strongly correlated with the concentration of Li in the perovskite structure: Mg 2+ ions will preferentially replace Li + ions for low Mg doping while replace K/Na ions for higher doping of Mg. The PPT O → T was also found to be altered by the introduction of Mg and the critical value of LS concentration, x O-T , for incipient O → T transition in the KNN-xLS-wMT system was strongly dependent on Mg content, with x O→T being roughly equal to 0.04 + 2w, for the case of dilute Mg alloying. (paper)

Sn-In-Ag phase equilibria and Sn-In-(Ag)/Ag interfacial reactions

International Nuclear Information System (INIS)

Chen Sinnwen; Lee Wanyu; Hsu Chiaming; Yang Chingfeng; Hsu Hsinyun; Wu Hsinjay

2011-01-01

Research highlights: → Thermodynamic models of Sn-In and Sn-In-Ag are developed using the CALPHAD approach. → Reaction layer in the Sn-In-(Ag)/Ag couples at 100 deg. C is thinner than those at 25 deg. C, 50 deg. C, and 75 deg. C. → Reactions in the Sn-20 wt%In-2.8 wt%Ag/Ag couples are faster than those in the Sn-20 wt%In/Ag couples. - Abstract: Experimental verifications of the Sn-In and Sn-In-Ag phase equilibria have been conducted. The experimental measurements of phase equilibria and thermodynamic properties are used for thermodynamic modeling by the CALPHAD approach. The calculated results are in good agreement with experimental results. Interfacial reactions in the Sn-In-(Ag)/Ag couples have been examined. Both Ag 2 In and AgIn 2 phases are formed in the Sn-51.0 wt%In/Ag couples reacted at 100 and 150 deg. C, and only the Ag 2 In phase is formed when reacted at 25, 50 and 75 deg. C. Due to the different growth rates of different reaction phases, the reaction layer at 100 deg. C is thinner than those at 25 deg. C, 50 deg. C, and 75 deg. C. In the Sn-20.0 wt%In/Ag couples, the ζ phase is formed at 250 deg. C and ζ/AgIn 2 phases are formed at 125 deg. C. Compared with the Sn-20 wt%In/Ag couples, faster interfacial reactions are observed in the Sn-20.0 wt%In-2.8 wt%Ag/Ag couples, and minor Ag addition to Sn-20 wt%In solder increases the growth rates of the reaction phases.

New alkali-metal- and 2-phenethylamine-intercalated superconductors Ax(C8H11N)yFe1-zSe (A = Li, Na) with the largest interlayer spacings and Tc ∼ 40 K

International Nuclear Information System (INIS)

Hatakeda, Takehiro; Noji, Takashi; Sato, Kazuki; Kawamata, Takayuki; Kato, Masatsune; Koike, Yoji

2016-01-01

New FeSe-based intercalation superconductors, A x (C 8 H 11 N) y Fe 1-z Se (A = Li, Na), with T c = 39-44 K have been successfully synthesized via the intercalation of alkali metals and 2-phenethylamine into FeSe. The interlayer spacings, namely, the distances between neighboring Fe layers, d, of A x (C 8 H 11 N) y Fe 1-z Se (A = Li, Na) are 19.04(6) and 18.0(1) Å, respectively. These d values are the largest among those of the FeSe-based intercalation compounds and are understood to be due to the intercalation of two molecules of 2-phenethylamine in series perpendicular to the FeSe layers. It appears that the relationship between T c and d in the FeSe-based intercalation superconductors is not domic but T c is saturated at ∼45 K, which is comparable to the T c values of single-layer FeSe films, for d ≥ 9 Å. (author)

Coating of hydroxyapatite doped Ag on commercially pure titanium surface; Recobrimento de hidroxiapatita dopada com Ag sobre superficie de titanio comercialmente puro

Energy Technology Data Exchange (ETDEWEB)

Vieira, Jonas de Oliveira; Vercik, Luci Cristina de Oliveira; Rigo, Eliana Cristina da Silva, E-mail: jonasvieira@usp.br [Universidade de Sao Paulo (USP), SP (Brazil)

2012-07-01

This paper presents results of bioactive coating on commercially pure titanium surface (CpTi) doped with Ag ions. The coating consists of 3 steps, in step 1- surface chemical treatment of the samples with NaOH, step 2 - immersing the substrate in question in a sodium silicate solution (SS) to the nucleation and step 3 - reimmersion these substrates in synthetic solution that simulates the blood serum for precipitation and growth of apatite layer. After the coating step the AgNO{sub 3} substrates were immersed in solutions with concentrations of 20 ppm and 100 ppm at 37 ° C for 48h. The substrates were characterized by scanning electron microscopy (SEM), infrared spectroscopy (IR) and X-ray diffraction (XRD). By the results verified the formation of an apatite layer with aspects of cells, on the surface of CpTi. The increase in Ag concentration causes an increase in Ag amount doped in apatite layer. With the results we concluded that it is possible to obtain an apatite layer on a metal surface as the CpTi doped with Ag ions.

Turning Waste Chemicals into Wealth-A New Approach To Synthesize Efficient Cathode Material for an Li-O2 Battery.

Science.gov (United States)

Yao, Ying; Wu, Feng

2017-09-20

An Li-O 2 battery requires the oxygen-breathing cathode to be highly electronically conductive, rapidly oxygen diffusive, structurally stable, and often times electrocatalytically active. Catalyst-decorated porous carbonaceous materials are the chosen air cathode in this regard. Alternatively, biomass-derived carbonaceous materials possess great ability to remove heavy and toxic metal ions from waste, forming a metal-adsorbed porous carbonaceous material. The similar structure between the air cathode and the metal-adsorbed biomass-derived carbon nicely bridges these two irrelevant areas. In this study, we investigated the electrochemical activity of a biochar material Ag-ESB directly synthesized from ethanol sludge residue in a rechargeable aprotic Li-O 2 battery. Ag ions were adsorbed from sewage and became Ag nanoparticles with uniform coverage on the biochar surface. The as-prepared material exhibits good electrochemical behavior in battery testing, especially toward the battery efficiency and cyclability. This study provides the possibility of synthetically efficient cathode material by reusing "waste" such as biofuel sludge residue. It is an economically and environmentally friendly approach both for an energy-storage system and for waste recycling.

Premelting, Melting, and Degradation Properties of Molten Alkali Nitrates: LiNO3, NaNO3, KNO3, and Binary NaNO3-KNO3

Science.gov (United States)

Mohammad, Mehedi Bin; Brooks, Geoffrey Alan; Rhamdhani, Muhammad Akbar

2018-02-01

A simultaneous thermal analyzer (STA) was used to observe the transition and degradation events of LiNO3, NaNO3, KNO3, and binary NaNO3-KNO3 salts for potential use as phase change materials (PCMs) and heat transfer fluid (HTF). Samples were heated from 50 °C to 800 °C at 10 °C/min scanning rate in three atmospheres (argon, air, and oxygen) using an STA to observe decomposition behavior. Thermal stability increased for all salts at high partial pressure of O2 ( P_{{{O}2 }} = 1.0) compared to inert argon ( P_{{{O}2 }} = 0). O2, N2, NO, N2O, and NO2 were main evolved gases during nitrate decomposition. NO and O2 started to evolve at approximately the same temperature after melting, indicating that primary and secondary decomposition reactions were concurrent and overlapping. The solid-solid transition, liquidus and solidus temperatures, heat of transition, heat of melting, and heat of solidification were obtained at various heating-cooling rates (1, 2, 4, 5, 6, 8, 10, and 15 °C/min) using an STA. At all heating-cooling rates, a small gap exists between liquidus and solidus temperatures for all samples due to the salts exhibiting supercooling phenomena. This study showed that the degradation point depends on the blanket atmosphere top of the molten salts and that heating rates have a minor effect on transition events (peaks height, peaks width, and transition enthalpies).

Premelting, Melting, and Degradation Properties of Molten Alkali Nitrates: LiNO3, NaNO3, KNO3, and Binary NaNO3-KNO3

Science.gov (United States)

Mohammad, Mehedi Bin; Brooks, Geoffrey Alan; Rhamdhani, Muhammad Akbar

2018-06-01

A simultaneous thermal analyzer (STA) was used to observe the transition and degradation events of LiNO3, NaNO3, KNO3, and binary NaNO3-KNO3 salts for potential use as phase change materials (PCMs) and heat transfer fluid (HTF). Samples were heated from 50 °C to 800 °C at 10 °C/min scanning rate in three atmospheres (argon, air, and oxygen) using an STA to observe decomposition behavior. Thermal stability increased for all salts at high partial pressure of O2 ( P_{{{O}2 }} = 1.0) compared to inert argon ( P_{{{O}2 }} = 0). O2, N2, NO, N2O, and NO2 were main evolved gases during nitrate decomposition. NO and O2 started to evolve at approximately the same temperature after melting, indicating that primary and secondary decomposition reactions were concurrent and overlapping. The solid-solid transition, liquidus and solidus temperatures, heat of transition, heat of melting, and heat of solidification were obtained at various heating-cooling rates (1, 2, 4, 5, 6, 8, 10, and 15 °C/min) using an STA. At all heating-cooling rates, a small gap exists between liquidus and solidus temperatures for all samples due to the salts exhibiting supercooling phenomena. This study showed that the degradation point depends on the blanket atmosphere top of the molten salts and that heating rates have a minor effect on transition events (peaks height, peaks width, and transition enthalpies).

Ab initio study of spectroscopic properties of bimetallic molecules MeB (where Me=Li, Na, K, Br, Cs, Fr) using CCSD(T) and MRCI methods

International Nuclear Information System (INIS)

Cukovicova, M.; Cernusak, I.

2010-01-01

For our study we have chosen a series of diatomic molecules MeB (where Me = Li, Na, K, Rb, Cs, Fr). These molecules present experimentally unknown species, hence we were motivated to predict theoretically potential energy curves, equilibrium bond lengths, harmonic frequencies, constants of anharmonicity, dipole moments and dissociation energies for the ground and low-lying excited states using high level ab initio techniques. Based on previous state averaged MRCI calculations in ANO-S basis set of NaB and KB molecules, we have focused on four lowest-lying electronic states, ground state 3Π and excited states 1Σ+, 1Π and 3Σ+. All four states dissociate to the atoms in ground states 2P1/2(B) and 2S1/2(Me). 3Π, 1Σ+, 1Π and 3Σ+ electronic states we investigated employing CCSD(T) method using relativistic ANO-RCC basis set. Our calculations include scalar relativistic effects via the second order one-component (spin-free) Douglas-Kroll-Hess Hamiltonian. Relativistic effects become remarkable in the case of heavy atoms, hence properties of CsB and FrB molecules may differ from trend of properties in row from LiB to FrB. Spectroscopic properties of particular state were obtained from the analysis of the potential energy curves using VIBROT and DUNHAM programs.

Half-Heusler compounds with a 1 eV (1.7 eV) direct band gap, lattice-matched to GaAs (Si), for solar cell application: A first-principles study

KAUST Repository