SABRE - A test of DAMA with high-purity NaI(Tl) crystals

NASA Astrophysics Data System (ADS)

Xu, Jingke; Calaprice, Frank; Froborg, Francis; Shields, Emily; Suerfu, Burkhant

2015-08-01

The dark matter claim by DAMA is both significant and controversial. Several experiments have claimed to rule out DAMA/LIBRA, but the comparisons are made based on dark matter halo and dark matter-interaction models that are currently unknown. Therefore, an unambiguous test of DAMA/LIBRA is best made using NaI(Tl) crystals with lower residual background than that of DAMA/LIBRA, and the SABRE experiment is designed to achieve this goal. In this paper we will discuss the development of high-purity SABRE NaI(Tl) crystals and detectors, and progress of the SABRE experiment toward testing DAMA/LIBRA.

Thin NaI(Tl) crystals to enhance the detection sensitivity for molten 241Am sources.

PubMed

Peura, Pauli; Bélanger-Champagne, Camille; Eerola, Paula; Dendooven, Peter; Huhtalo, Eero

2018-04-26

A thin 5-mm NaI(Tl) scintillator detector was tested with the goal of enhancing the detection efficiency of 241 Am gamma and X rays for steelworks operations. The performance of a thin (5 mm) NaI(Tl) detector was compared with a standard 76.2-mm thick NaI(Tl) detector. The 5-mm thick detector crystal results in a 55% smaller background rate at 60 keV compared with the thicker detector, translating into the ability to detect 30% weaker 241 Am sources. For a 5 mm thick and 76.2 mm diameter NaI detector in the ladle car tunnel at Outokumpu Tornio Works, the minimum activity of a molten 241 Am source that can be detected in 5 s with 95% probability is 9 MBq. Copyright © 2018 Elsevier Ltd. All rights reserved.

Synthesis and reactivity of dimeric Ar'TlTlAr' and trimeric (Ar"T1)3 (Ar', Ar" = bulky terphenyl group) thallium(I) derivatives: Tl(I)-Tl(I) bonding in species ligated by monodentate ligands.

PubMed

Wright, Robert J; Phillips, Andrew D; Hino, Shirley; Power, Philip P

2005-04-06

The synthesis and characterization of three new organothallium(I) compounds are reported. Reaction of (Ar'Li)(2) (Ar' = C(6)H(3)-2,6-(C(6)H(3)-2,6-Pr(i)(2))(2)) and Ar"Li (Ar" = C(6)H(3)-2,6-(C(6)H(3)-2,6-Me(2))(2)) with TlCl in Et(2)O afforded (Ar'Tl)(2) (1) and (Ar' 'Tl)(3) (2). The "dithallene" 1 is the heaviest group 13 dimetallene and features a planar, trans-bent structure with Ar'Tl-Tl = 119.74(14) degrees and Tl-Tl = 3.0936(8) A. Compound 2 is the first structurally characterized neutral, three-membered ring species of formula c-(MR)(3) (M = Al-Tl; R = organo group). The Tl(3) ring has Tl-Tl distances in the range ca. 3.21-3.37 A as well as pyramidal Tl geometries. The Tl-Tl bonds in 1 and 2 are outside the range (2.88-2.97 A) of Tl-Tl single bonds in R(2)TlTlR(2) compounds. The weak Tl-Tl bonding in 1 and 2 leads to their dissociation into Ar'Tl and Ar' 'Tl monomers in hexane. The Ar'Tl monomer behaves as a Lewis base and readily forms a 1:1 donor-acceptor complex with B(C(6)F(5))(3) to give Ar'TlB(C(6)F(5))(3), 3. Adduct 3 features an almost linear thallium C(ipso)-Tl-B angle of 174.358(7) degrees and a Tl-B distance of 2.311(2) A, which indicates strong association. Treatment of 1 with a variety of reagents resulted in no reactions. The lower reactivity of 1 is in accord with the reluctance of Tl(I) to undergo oxidation to Tl(III) due to the unreactive character of the 6s(2) electrons.

Production and relevance of cosmogenic radionuclides in NaI(Tl) crystals

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

Amaré, J.; Cebrián, S.; Cuesta, C.

2015-08-17

The cosmogenic production of long-lived radioactive isotopes in materials is an hazard for experiments demanding ultra-low background conditions. Although NaI(Tl) scintillators have been used in this context for a long time, very few activation data were available. We present results from two 12.5 kg NaI(Tl) detectors, developed within the ANAIS project and installed at the Canfranc Underground Laboratory. The prompt data taking starting made possible a reliable quantification of production of some I, Te and Na isotopes with half-lives larger than ten days. Tnitial activities underground were measured and then production rates at sea level were estimated following the history ofmore » detectors; a comparison of these rates with calculations using typical cosmic neutron flux at sea level and a selected description of excitation functions was also carried out. After including the contribution from the identified cosmogenic products in the detector background model, we found that the presence of {sup 3}H in the crystal bulk would help to fit much better our background model and experimental data. We have analyzed the cosmogenic production of {sup 3}H in NaI, and although precise quantification has not been attempted, we can conclude that it could imply a very relevant contribution to the total background below 15 ke in NaI detectors.« less

Design and implementation of the NaI(Tl)/CsI(Na) detectors output signal generator

NASA Astrophysics Data System (ADS)

Zhou, Xu; Liu, Cong-Zhan; Zhao, Jian-Ling; Zhang, Fei; Zhang, Yi-Fei; Li, Zheng-Wei; Zhang, Shuo; Li, Xu-Fang; Lu, Xue-Feng; Xu, Zhen-Ling; Lu, Fang-Jun

2014-02-01

We designed and implemented a signal generator that can simulate the output of the NaI(Tl)/CsI(Na) detectors' pre-amplifier onboard the Hard X-ray Modulation Telescope (HXMT). Using the development of the FPGA (Field Programmable Gate Array) with VHDL language and adding a random constituent, we have finally produced the double exponential random pulse signal generator. The statistical distribution of the signal amplitude is programmable. The occurrence time intervals of the adjacent signals contain negative exponential distribution statistically.

New-concept Batteries Based on Aqueous Li+/Na+ Mixed-ion Electrolytes

PubMed Central

Chen, Liang; Gu, Qingwen; Zhou, Xufeng; Lee, Saixi; Xia, Yonggao; Liu, Zhaoping

2013-01-01

Rechargeable batteries made from low-cost and abundant materials operating in safe aqueous electrolytes are attractive for large-scale energy storage. Sodium-ion battery is considered as a potential alternative of current lithium-ion battery. As sodium-intercalation compounds suitable for aqueous batteries are limited, we adopt a novel concept of Li+/Na+ mixed-ion electrolytes to create two batteries (LiMn2O4/Na0.22MnO2 and Na0.44MnO2/TiP2O7), which relies on two electrochemical processes. One involves Li+ insertion/extraction reaction, and the other mainly relates to Na+ extraction/insertion reaction. Two batteries exhibit specific energy of 17 Wh kg−1 and 25 Wh kg−1 based on the total weight of active electrode materials, respectively. As well, aqueous LiMn2O4/Na0.22MnO2 battery is capable of separating Li+ and Na+ due to its specific mechanism unlike the traditional “rocking-chair” lithium-ion batteries. Hence, the Li+/Na+ mixed-ion batteries offer promising applications in energy storage and Li+/Na+ separation. PMID:23736113

Scintillation characterization of the pure Tl2LiGdBr6 single crystal

NASA Astrophysics Data System (ADS)

Jang, Jonghun; Rooh, Gul; Kim, Sunghwan; Kim, HongJoo

2018-05-01

A pure Tl2LiGdBr6 (TLGB) single crystal was developed. This scintillator was grown by the two-zone vertical Bridgman technique. Owing to the improvement in the crystal quality of TLGB, excellent scintillation properties were observed. The characterization of this scintillation material was carried out under X- and γ-ray excitations. In the X-ray excitation emission spectrum, the Tl+ ion emission band was observed between 390 and 550 nm and peaked at 435 nm. Under 662 keV γ-ray excitation, the energy resolution and light yield of the grown sample were measured to be 7.2% (FWHM) and 27,000 ± 2,700 ph/MeV, respectively. In addition, under the same γ-ray excitation, scintillation decay time was also measured at room temperature. Three decay time components were found to be 56 ns (24%), 105 ns (53%), and 1.5 µs (23%). Further improvements in scintillation properties are expected with the good quality crystal of this compound.

Monte Carlo simulation of a NaI(Tl) detector for in situ radioactivity measurements in the marine environment.

PubMed

Zhang, Yingying; Li, Changkai; Liu, Dongyan; Zhang, Ying; Liu, Yan

2015-04-01

To develop in situ NaI(Tl) detector for radioactivity measurement in the marine environment, the Monte Carlo N-Particle (MCNP) Transport Code was utilized to simulate the measurement of NaI(Tl) detector immersed in seawater, taking into account the material and geometry of the detector, and the interactions between the photons with the atoms of the seawater and the detector. The simulation results of the marine detection efficiency and distance were deduced and analyzed. In order to test their reliability, the field measurement was made at open sea and the experimental value of the marine detection efficiency was deduced and seems to be in good agreement with the simulated one. The minimum detectable activity for (137)Cs in the seawater of NaI(Tl) detector developed was determined mathematically at last. The simulation method and results in the paper can be used for the better design and quantitative calculation of in situ NaI(Tl) detector for radioactivity measurement in the marine environment, and also for some applications such as the installation on the marine monitoring platform and the quantitative analysis of radionuclides. Copyright © 2015 Elsevier Ltd. All rights reserved.

The nonlinear light output of NaI(Tl) detectors in the Modular Total Absorption Spectrometer

DOE PAGES

Rasco, B. C.; Fijałkowska, A.; Karny, M.; ...

2015-04-08

New detector array, the Modular Total Absorption Spectrometer (MTAS),was commissioned at the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge National Lab(ORNL).Total absorption gamma spectra measured with MTAS are expected to improve beta-feeding patterns and beta strength functions in fission products.MTAS is constructed out of hexagonal NaI(Tl) detectors with a unique central module surrounded by 18 identical crystals assembled in three rings. The total NaI(Tl) mass of MTAS is over1000 kg.The response of the central and other 18 MTAS modules to -radiation was simulated using the GEANT4 tool kit modified to analyze the nonlinear light output of NaI(Tl).A detailedmore » description oftheGEANT4modifications madeisdiscussed.SimulatedenergyresolutionofMTAS modules is found to agree well with the measurements for single transitions of 662keV (137Cs) with 8.2% full width half maximum (FWHM),835keV (54Mn) with FWHM of 7.5% FWHM, and 1115keV (65Zn) with FWHM of 6.5%.Simulations of single and multiple -rays from 60Co are also discussed.« less

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

PubMed

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.

Toward Triplet Ground State NaLi Molecules

NASA Astrophysics Data System (ADS)

Ebadi, Sepehr; Jamison, Alan; Rvachov, Timur; Jing, Li; Son, Hyungmok; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang

2016-05-01

The NaLi molecule is expected to have a long lifetime in the triplet ground-state due to its fermionic nature, large rotational constant, and weak spin-orbit coupling. The triplet state has both electric and magnetic dipole moments, affording unique opportunities in quantum simulation and ultracold chemistry. We have mapped the excited state NaLi triplet potential by means of photoassociation spectroscopy. We report on this and our further progress toward the creation of the triplet ground-state molecules using STIRAP. NSF, ARO-MURI, Samsung, NSERC.

Na(23)K(9)Tl(15.3): An Unusual Zintl Compound Containing Apparent Tl(5)(7)(-), Tl(4)(8)(-), Tl(3)(7)(-), and Tl(5)(-) Anions.

PubMed

Dong, Zhen-Chao; Corbett, John D.

1996-05-22

Reaction of the neat elements in tantalum containers at 400 degrees C and then 150 degrees C gives the pure title phase. X-ray crystallography shows that the hexagonal structure (P6(3)/mmc, Z = 2, a = 11.235(1) Å, b = 30.133(5) Å) contains relatively high symmetry clusters Tl(5)(7)(-) (D(3)(h)()), Tl(4)(8)(-) (C(3)(v)(), approximately T(d)), and the new Tl(3)(7)(-) (D(infinity)(h)()) plus Tl(5)(-), the last two disordered over the same elongated site in 1:2 proportions. Cation solvation of these anions is tight and specific, providing good Coulombic trapping of weakly bound electrons on the isolated cluster anions. The observed disorder makes the compound structurally a Zintl phase with a closed shell electron count. EHMO calculations on the novel Tl(3)(7)(-) reveal some bonding similarities with the isoelectronic CO(2), with two good sigma(s,p) bonding and two weakly bonding pi MO's. The Tl-Tl bond lengths therein (3.14 Å) are evidently consistent with multiple bonding. The weak temperature-independent paramagnetism and metallic conductivity (rho(293) approximately 90 &mgr;Omega.cm) of the phase are discussed.

Electronic structure and molecular dynamics of Na2Li

NASA Astrophysics Data System (ADS)

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

Risk factors for left ventricular hypertrophy: role of Na(+)-Li+ countertransport.

PubMed

Neves, P L; Faisca, M; Gomes, V; Cacodcar, S; Bernardo, I; Anunciada, A I; Viegas, E; Martins, H; da Silva, A M

1996-06-01

Left ventricular hypertrophy (LVH) is associated with an increase in cardiovascular death in essential hypertension (EH). The factors involved in LVH are multiple and complex. We looked for risk factors of LVH in a group of 28 nonobese patients with EH (mean age = 45.3 years). We analyzed the activity of several erythrocyte ion transports (Vmax of NaLi countertransport, NaKCl cotransport and NaK-pump, and the Na-leak Kp Na), the intracellular Na and the insulin sensitivity index. All these parameters were used as independent variables whereas the left ventricular mass index (LVMI) was used as the dependent variable. Variables showing a significant univariate correlation (age, time of EH, mean blood pressure and Vmax of NaLi countertransport) were introduced in a stepwise multiple regression model. Only age (P = 0.014), time of EH (P = 0.038) and Vmax of NaLi countertransport (P = 0.032) were independently associated with LVMI (R2 = 0.581, P = 0.0001). The NaLi CT, an operating mode of the NaH exchanger that facilitates cellular growth, may be a marker of LVH, and consequently a marker of increased cardiovascular risk.

Measurements of NaI(Tl) Electron Response: Comparison of Different Samples

NASA Astrophysics Data System (ADS)

Hull, Giulia; Choong, Woon-Seng; Moses, William W.; Bizarri, Gregory; Valentine, John D.; Payne, Stephen A.; Cherepy, Nerine J.; Reutter, Bryan W.

2009-02-01

This paper measures the sample to sample variation in the light yield proportionality of NaI(Tl), and so explores whether this is an invariant characteristic of the material or whether it depends on the chemical and physical properties of the tested samples. We report on the electron response of nine crystals of NaI(Tl), differing in shape, volume, age, manufacturer and quality. The proportionality has been measured at the SLYNCI facility in the energy range between 3.5 to 460 keV. We observe that while samples produced by the same manufacturer at approximately the same time have virtually identical electron response curves, there are significant sample to sample variations among crystals produced by different manufacturers or at different times. In an effort to correlate changes in the electron response with details of the scintillation mechanism, we characterized other scintillation properties, including the gamma response and the x-ray excited emission spectra and decay times, for the nine crystals. While sample to sample differences in these crystals were observed, we have been unable to identify the underlying fundamental mechanisms that are responsible for these differences.

NaI(Tl) scintillator read out with SiPM array for gamma spectrometer

NASA Astrophysics Data System (ADS)

Huang, Tuchen; Fu, Qibin; Lin, Shaopeng; Wang, Biao

2017-04-01

The NaI(Tl) scintillator is widely used in gamma spectrometer with photomultiplier tube (PMT) readout. Recently developed silicon photomultiplier (SiPM) offers gain and efficiency similar to those of PMT, but with merits such as low bias voltage, compact volume, low cost, high ruggedness and magnetic resonance compatibility. In this study, 2-in. and 1-in. NaI(Tl) scintillators were readout with SiPM arrays, which were made by tiling multiple SiPMs each with an active area of 6×6 mm2 on a printed circuit board. The energy resolutions for 661.6 keV gamma rays, obtained with Φ2×2 in. scintillator coupled to 6×6 ch SiPM array and Φ1×1 in. scintillator coupled to 4×4 ch SiPM array were 7.6% and 7.8%, respectively, and were very close to the results obtained with traditional bialkali PMT (7.3% and 7.6%, respectively). Scintillator coupled to photodetector with smaller area was also studied by adding a light guide or using scintillator with tapered head. The latter showed better performance than using light guide. The 1-in. NaI(Tl) scintillator with tapered head coupled to 2×2 ch SiPM array achieved 7.7% energy resolution at 661.6 keV, the same as that obtained with standard Φ1×1 in. scintillator coupled to 4×4 ch SiPM array. While the 2-in. scintillator with similar geometry showed degraded energy resolution, 10.2% at 661.6 keV, but could still be used when high efficiency is preferred over energy resolution.

Impact of intense x-ray pulses on a NaI(Tl)-based gamma camera

NASA Astrophysics Data System (ADS)

Koppert, W. J. C.; van der Velden, S.; Steenbergen, J. H. L.; de Jong, H. W. A. M.

2018-03-01

In SPECT/CT systems x-ray and γ-ray imaging is performed sequentially. Simultaneous acquisition may have advantages, for instance in interventional settings. However, this may expose a gamma camera to relatively high x-ray doses and deteriorate its functioning. We studied the NaI(Tl) response to x-ray pulses with a photodiode, PMT and gamma camera, respectively. First, we exposed a NaI(Tl)-photodiode assembly to x-ray pulses to investigate potential crystal afterglow. Next, we exposed a NaI(Tl)-PMT assembly to 10 ms LED pulses (mimicking x-ray pulses) and measured the response to flashing LED probe-pulses (mimicking γ-pulses). We then exposed the assembly to x-ray pulses, with detector entrance doses of up to 9 nGy/pulse, and analysed the response for γ-pulse variations. Finally, we studied the response of a Siemens Diacam gamma camera to γ-rays while exposed to x-ray pulses. X-ray exposure of the crystal, read out with a photodiode, revealed 15% afterglow fraction after 3 ms. The NaI(Tl)-PMT assembly showed disturbances up to 10 ms after 10 ms LED exposure. After x-ray exposure however, responses showed elevated baselines, with 60 ms decay-time. Both for x-ray and LED exposure and after baseline subtraction, probe-pulse analysis revealed disturbed pulse height measurements shortly after exposure. X-ray exposure of the Diacam corroborated the elementary experiments. Up to 50 ms after an x-ray pulse, no events are registered, followed by apparent energy elevations up to 100 ms after exposure. Limiting the dose to 0.02 nGy/pulse prevents detrimental effects. Conventional gamma cameras exhibit substantial dead-time and mis-registration of photon energies up to 100 ms after intense x-ray pulses. This is due PMT limitations and due to afterglow in the crystal. Using PMTs with modified circuitry, we show that deteriorative afterglow effects can be reduced without noticeable effects on the PMT performance, up to x-ray pulse doses of 1 nGy.

In Situ Tracking Kinetic Pathways of Li + /Na + Substitution during Ion-Exchange Synthesis of Li xNa 1.5–x VOPO 4 F 0.5

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

Park, Young-Uk; Bai, Jianming; Wang, Liping

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 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 xNa 1.5-xVOPO 4F 0.5 (0 ≤ x ≤ 1.5), a promising multi-Li polyanionic cathode for batteries. The real-timemore » 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.« less

In Situ Tracking Kinetic Pathways of Li + /Na + Substitution during Ion-Exchange Synthesis of Li xNa 1.5–x VOPO 4 F 0.5

DOE PAGES

Park, Young-Uk; Bai, Jianming; Wang, Liping; ...

2017-08-29

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 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 xNa 1.5-xVOPO 4F 0.5 (0 ≤ x ≤ 1.5), a promising multi-Li polyanionic cathode for batteries. The real-timemore » 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.« less

A method to calculate the gamma ray detection efficiency of a cylindrical NaI (Tl) crystal

NASA Astrophysics Data System (ADS)

Ahmadi, S.; Ashrafi, S.; Yazdansetad, F.

2018-05-01

Given a wide range application of NaI(Tl) detector in industrial and medical sectors, computation of the related detection efficiency in different distances of a radioactive source, especially for calibration purposes, is the subject of radiation detection studies. In this work, a 2in both in radius and height cylindrical NaI (Tl) scintillator was used, and by changing the radial, axial, and diagonal positions of an isotropic 137Cs point source relative to the detector, the solid angles and the interaction probabilities of gamma photons with the detector's sensitive area have been calculated. The calculations present the geometric and intrinsic efficiency as the functions of detector's dimensions and the position of the source. The calculation model is in good agreement with experiment, and MCNPX simulation.

Dithallium(III)-Containing 30-Tungsto-4-phosphate, [Tl2Na2(H2O)2(P2W15O56)2]16-: Synthesis, Structural Characterization, and Biological Studies.

PubMed

Ayass, Wassim W; Fodor, Tamás; Farkas, Edit; Lin, Zhengguo; Qasim, Hafiz M; Bhattacharya, Saurav; Mougharbel, Ali S; Abdallah, Khaled; Ullrich, Matthias S; Zaib, Sumera; Iqbal, Jamshed; Harangi, Sándor; Szalontai, Gábor; Bányai, István; Zékány, László; Tóth, Imre; Kortz, Ulrich

2018-06-18

Here we report on the synthesis and structural characterization of the dithallium(III)-containing 30-tungsto -4-phosphate [Tl 2 Na 2 (H 2 O) 2 {P 2 W 15 O 56 } 2 ] 16- (1) by a multitude of solid-state and solution techniques. Polyanion 1 comprises two octahedrally coordinated Tl 3+ ions sandwiched between two trilacunary {P 2 W 15 } Wells-Dawson fragments and represents only the second structurally characterized, discrete thallium-containing polyoxometalate to date. The two outer positions of the central rhombus are occupied by sodium ions. The title polyanion is solution-stable as shown by 31 P and 203/205 Tl NMR. This was also supported by Tl NMR spectra simulations including several spin systems of isotopologues with half-spin nuclei ( 203 Tl, 205 Tl, 31 P, 183 W). 23 Na NMR showed a time-averaged signal of the Na + counter cations and the structurally bonded Na + ions. 203/205 Tl NMR spectra also showed a minor signal tentatively attributed to the trithallium-containing derivative [Tl 3 Na(H 2 O) 2 (P 2 W 15 O 56 ) 2 ] 14- , which could also be identified in the solid state by single-crystal X-ray diffraction. The bioactivity of polyanion 1 was also tested against bacteria and Leishmania.

Superconductivity in (Cu 0.5Tl 0.25Li 0.25)Ba 2Ca 2Cu 3- ySi yO 10- δ samples

NASA Astrophysics Data System (ADS)

Khan, Nawazish A.; Qasim, Irfan; Khurram, A. A.

2010-07-01

The (Cu 0.5Tl 0.25Li 0.25)Ba 2Ca 2Cu 3- ySi yO 10- δ ( y = 0, 0.25 0.5, 0.75, 1.0, 1.25) superconductor samples have been prepared by solid-state reaction method. The critical temperature and as well as the magnitude of diamagnetism is increased up to Si concentration y = 1.0, however, from the doping level y = 1.25 a decrease in the critical temperature along with the vanishing of the diamagnetism was observed. The carrier's in the conducting CuO 2/SiO 2 planes were optimized by carrying out post-annealing in oxygen and an increase in the critical temperature was observed in all Si doped samples. The doping efficiency of Cu 0.5Tl 0.5Ba 2O 4- δ charge reservoir layer in (Cu 0.5Tl 0.25Li 0.25)Ba 2Ca 2Cu 3- ySi yO 10- δ ( y = 0, 0.25 0.5, 0.75, 1.0, 1.25) samples is enhanced by doping Li +1 ion; as alkali metals are known to easily loose their outer most electron which could be supplied to CuO 2/SiO 2 conducting planes and would suppress the anti-ferromagnetism in the inner conducting planes. The FTIR absorption measurements have provided an indirect evidence of Si substitution at in CuO 2 planes.

Kinetic Monte Carlo simulations of scintillation processes in NaI(Tl)

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

Kerisit, Sebastien N.; Wang, Zhiguo; Williams, Richard

2014-04-26

Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this work to simulate the kinetics of scintillation for a range of temperaturesmore » and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.« less

Kinetic Monte Carlo Simulations of Scintillation Processes in NaI(Tl)

NASA Astrophysics Data System (ADS)

Kerisit, Sebastien; Wang, Zhiguo; Williams, Richard T.; Grim, Joel Q.; Gao, Fei

2014-04-01

Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this paper to simulate the kinetics of scintillation for a range of temperatures and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.

Unidirectional Flux Balance of Monovalent Ions in Cells with Na/Na and Li/Na Exchange: Experimental and Computational Studies on Lymphoid U937 Cells

PubMed Central

Vereninov, Igor A.; Yurinskaya, Valentina E.; Model, Michael A.; Vereninov, Alexey A.

2016-01-01

Monovalent ion traffic across the cell membrane occurs via various pathways. Evaluation of individual fluxes in whole cell is hampered by their strong interdependence. This difficulty can be overcome by computational analysis of the whole cell flux balance. However, the previous computational studies disregarded ion movement of the self-exchange type. We have taken this exchange into account. The developed software allows determination of unidirectional fluxes of all monovalent ions via the major pathways both under the balanced state and during transient processes. We show how the problem of finding the rate coefficients can be solved by measurement of monovalent ion concentrations and some of the fluxes. Interdependence of fluxes due to the mandatory conditions of electroneutrality and osmotic balance and due to specific effects can be discriminated, enabling one to identify specific changes in ion transfer machinery under varied conditions. To test the effectiveness of the developed approach we made use of the fact that Li/Na exchange is known to be an analogue of the coupled Na/Na exchange. Thus, we compared the predicted and experimental data obtained on U937 cells under varied Li+ concentrations and following inhibition of the sodium pump with ouabain. We found that the coupled Na/Na exchange in U937 cells comprises a significant portion of the entire Na+ turnover. The data showed that the loading of the sodium pump by Li/Na exchange involved in the secondary active Li+ transport at 1–10 mM external Li+ is small. This result may be extrapolated to similar Li+ and Na+ flux relationships in erythrocytes and other cells in patients treated with Li+ in therapeutic doses. The developed computational approach is applicable for studying various cells and can be useful in education for demonstrating the effects of individual transporters and channels on ion gradients, cell water content and membrane potential. PMID:27159324

First search for a dark matter annual modulation signal with NaI(Tl) in the Southern Hemisphere by DM-Ice17

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

Barbosa de Souza, E.; Cherwinka, J.; Cole, A.

The first search for a dark matter annual modulation signal with NaI(Tl) target material in the Southern Hemisphere conducted with the DM-Ice17 experiment is presented. DM-Ice17 consists of 17 kg of NaI(Tl) scintillating crystal under 2200 m.w.e. overburden of Antarctic glacial ice. The analysis presented here utilizes a 60.8 kg yr exposure. While unable to exclude the signal reported by DAMA/LIBRA, the DM-Ice17 data are consistent with no modulation in the energy range of 4-20 keV, providing the strongest limits on WIMP candidates from a direct detection experiment located in the Southern Hemisphere. Additionally, the successful deployment and stable operationmore » of 17 kg of NaI(Tl) crystal over 3.5 years establishes the South Pole ice as a viable location for future underground, low-background experiments.« less

Assessment of the mean glandular dose using LiF:Mg,Ti, LiF:Mg,Cu,P, Li2B4O7:Mn and Li2B4O7:Cu TL detectors in mammography radiation fields

NASA Astrophysics Data System (ADS)

Fartaria, M. J.; Reis, C.; Pereira, J.; Pereira, M. F.; Cardoso, J. V.; Santos, L. M.; Oliveira, C.; Holovey, V.; Pascoal, A.; Alves, J. G.

2016-09-01

The aim of this paper is the characterization of four thermoluminescence detectors (TLD), namely, LiF:Mg,Ti, LiF:Mg,Cu,P, Li2B4O7:Mn and Li2B4O7:Cu for the measurement of the entrance surface air kerma (ESAK) and estimation of the mean glandular dose (MGD) in digital mammography examinations at hospitals and clinics. Low-energy x-ray beams in the typical energy ranges of mammography, produced with a tungsten target and additional 60 µm molybdenum filtration were implemented and characterized at the Laboratory of Metrology of Ionizing Radiation at Instituto Superior Técnico. These beams were used for the characterization of the TLDs in terms of sensitivity, linearity, reproducibility, energy dependence and fading at 40 °C. The energy dependence test was further extended using clinical beams produced by mammography units at hospitals and clinics. The method proposed by the International Atomic Energy Agency was used for the measurement of ESAK and assessment of MGD. The combined standard uncertainty for the measurement of ESAK (and MGD) was determined in accordance to the Guide to the expression of uncertainty in measurement. The x-ray beams generated in the 23-40 kVp range presented HVL values from 0.36 to 0.46 mm Al. The beam produced at 28 kVp (HVL 0.39 mm Al) was considered as reference. The radiation field defined a circle with 84 mm diameter with a maximum variation of the beam intensity of less than 1% at the top flat (plateau) within 4 cm of the central axis. The estimated total uncertainty for the measurement of air kerma was 0.42%. All the TL detectors tested showed good performance except the commercial Li2B4O7:Mn (or TLD-800) which was excluded due to its poor sensitivity in our experimental set up. Both lithium fluorides showed better linearity and reproducibility as well as lower energy dependence and fading when compared to lithium borates. The stable behaviour of LiF:Mg,Ti and LiF:Mg,Cu,P detectors is reflected in the low combined standard

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

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

Soto, Fernando A.; Yan, Pengfei; Engelhard, Mark H.

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-ionmore » 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.« less

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

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

Soto, Fernando A.; Yan, Pengfei; Engelhard, Mark H.

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.more » 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.« less

Syntheses, structural variants and characterization of AInM′S{sub 4} (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS{sub 4} and KInSnS{sub 4} compounds

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

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

Ten AInM′S{sub 4} (A=alkali metals, Tl; M′= Ge, Sn) compounds with diverse structure types have been synthesized and characterized by single crystal and powder X-ray diffraction and a variety of spectroscopic methods. They are wide band gap semiconductors. KInGeS{sub 4}(1-β), RbInGeS{sub 4}(2), CsInGeS{sub 4}(3-β), TlInGeS{sub 4}(4-β), RbInSnS{sub 4}(8-β) and CsInSnS{sub 4}(9) compounds with three-dimensional BaGa{sub 2}S{sub 4} structure and CsInGeS{sub 4}(3-α) and TlInGeS{sub 4}(4-α) compounds with a layered TlInSiS{sub 4} structure have tetrahedral [InM′S{sub 4}]{sup −} frameworks. On the other hand, LiInSnS{sub 4}(5) with spinel structure and NaInSnS{sub 4}(6), KInSnS{sub 4}(7), RbInSnS{sub 4}(8-α) and TlInSnS{sub 4}(10) compounds with layered structuremore » have octahedral [InM′S{sub 4}]{sup −} frameworks. NaInSnS{sub 4}(6) and KInSnS{sub 4}(7) compounds undergo facile topotactic ion-exchange, at room temperature, with various mono-, di- and tri-valent cations in aqueous medium to give rise to metastable layered phases. - Graphical abstract: NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo, in aqueous medium at room temperature, facile topotactic ion-exchange with mono, di and trivalent cations. Display Omitted - Highlights: • Ten AInM′S{sub 4} compounds with diverse structure types were synthesized. • They are wide band gap semiconductors. • NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo facile topotactic ion-exchange at room temperature.« less

Improved plutonium identification and characterization results with NaI(Tl) detector using ASEDRA

NASA Astrophysics Data System (ADS)

Detwiler, R.; Sjoden, G.; Baciak, J.; LaVigne, E.

2008-04-01

The ASEDRA algorithm (Advanced Synthetically Enhanced Detector Resolution Algorithm) is a tool developed at the University of Florida to synthetically enhance the resolved photopeaks derived from a characteristically poor resolution spectra collected at room temperature from scintillator crystal-photomultiplier detector, such as a NaI(Tl) system. This work reports on analysis of a side-by-side test comparing the identification capabilities of ASEDRA applied to a NaI(Tl) detector with HPGe results for a Plutonium Beryllium (PuBe) source containing approximately 47 year old weapons-grade plutonium (WGPu), a test case of real-world interest with a complex spectra including plutonium isotopes and 241Am decay products. The analysis included a comparison of photopeaks identified and photopeak energies between the ASEDRA and HPGe detector systems, and the known energies of the plutonium isotopes. ASEDRA's performance in peak area accuracy, also important in isotope identification as well as plutonium quality and age determination, was evaluated for key energy lines by comparing the observed relative ratios of peak areas, adjusted for efficiency and attenuation due to source shielding, to the predicted ratios from known energy line branching and source isotopics. The results show that ASEDRA has identified over 20 lines also found by the HPGe and directly correlated to WGPu energies.

Pressure and temperature dependences of the ionic conductivities of the thallous halidesTlCl, TlBr, and TlI

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

Samara, G.A.

1981-01-15

Detailed studies of the pressure and temperature dependences of the ionic conductivities of TlCl and TlBr have allowed determination of the lattice volume relaxations and energies associated with the formation and motion of Schottky defects in these crystals. The volume relaxations deduced from the conductivity are found to be comparable in magnitude with values calculated from the strain energy model and a dynamical model. The association energy of Tl/sup +/ vacancies and divalent impurities was also determined for TlBr. A particularly important result is the finding that for these CsCl-type crystals the relaxation of the lattice associated with vacancy formationmore » is outward. Earlier studies on ionic crystals having the NaCl structure have yielded a similar result. This outward relaxation thus appears to be a general result for ionic crystals of both the NaCl and CsCl types (and possibly other ionic lattice types), in disagreement with earlier theoretical calculations which show that the relaxation should be inward for all models of ionic vacancies investigated. The conductivity of TlI was studied in both the (low temperature and pressure) orthorhombic phase as well as in the cubic CsCl-type phase. There is a large electronic contribution to the conductivity in the orthorhombic phase. An interesting result for all three materials is the observation in the cubic phase of a pressure-induced transition from ionic to electronic conduction. This is in qualitative agreement with what is known about the pressure dependences of the electronic structure of these materials.« less

Elucidation of reaction mechanisms of Ni2SnP in Li-ion and Na-ion systems

NASA Astrophysics Data System (ADS)

Marino, C.; Dupré, N.; Villevieille, C.

2017-10-01

Electrochemical performance of Ni2SnP was assessed in Li-ion and Na-ion battery systems. When cycled versus Li, Ni2SnP exhibited a reversible specific charge of 700 mAh.g-1 (theoretical specific charge: 742 mAh.g-1). In the Na system, the specific observed charge was ca. 200 mAh.g-1 (theoretical specific charge: 676 mAh.g-1). X-ray diffraction, Ni K-edge X-ray absorption spectroscopy, and 31P and 7Li/23Na nuclear magnetic resonance spectroscopy were used to elucidate the electrochemical mechanisms in both systems. Versus Li, Ni2SnP undergoes a conversion reaction resulting in the extrusion of Ni and the alloying of Li-Sn and Li-P. On delithiation, the material partially recombines into a Sn- and Ni-deficient form. In the Na system, Ni2SnP reacts through the conversion of P into Na3P. These results indicate that the recombination of the pristine material (even partially) increases cycling stability.

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

NASA Astrophysics Data System (ADS)

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.

Borophane as a Benchmate of Graphene: A Potential 2D Material for Anode of Li and Na-Ion Batteries.

PubMed

Jena, Naresh K; Araujo, Rafael B; Shukla, Vivekanand; Ahuja, Rajeev

2017-05-17

Borophene, single atomic-layer sheet of boron ( Science 2015 , 350 , 1513 ), is a rather new entrant into the burgeoning class of 2D materials. Borophene exhibits anisotropic metallic properties whereas its hydrogenated counterpart borophane is reported to be a gapless Dirac material lying on the same bench with the celebrated graphene. Interestingly, this transition of borophane also rendered stability to it considering the fact that borophene was synthesized under ultrahigh vacuum conditions on a metallic (Ag) substrate. On the basis of first-principles density functional theory computations, we have investigated the possibilities of borophane as a potential Li/Na-ion battery anode material. We obtained a binding energy of -2.58 (-1.08 eV) eV for Li (Na)-adatom on borophane and Bader charge analysis revealed that Li(Na) atom exists in Li + (Na + ) state. Further, on binding with Li/Na, borophane exhibited metallic properties as evidenced by the electronic band structure. We found that diffusion pathways for Li/Na on the borophane surface are anisotropic with x direction being the favorable one with a barrier of 0.27 and 0.09 eV, respectively. While assessing the Li-ion anode performance, we estimated that the maximum Li content is Li 0.445 B 2 H 2 , which gives rises to a material with a maximum theoretical specific capacity of 504 mAh/g together with an average voltage of 0.43 V versus Li/Li + . Likewise, for Na-ion the maximum theoretical capacity and average voltage were estimated to be 504 mAh/g and 0.03 V versus Na/Na + , respectively. These findings unambiguously suggest that borophane can be a potential addition to the map of Li and Na-ion anode materials and can rival some of the recently reported 2D materials including graphene.

Resistivity and magnetic susceptibility studies of Tl[sub m]Ca[sub n[minus]1]Ba[sub 2]Cu[sub n]O[sub y] before and after doping with LiF

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

El-Hamalawy, A.A.; El-Zaidia, M.M.; Ammar, A.A.

1993-04-01

Measurements of the superconducting resistance as a function of temperature were performed using the conventional four-probe method. The transition to complete superconductivity was recorded for samples of (Tl[sub 2]Ca[sub 2]Ba[sub 2]Cu[sub 3]O[sub 10])[sub 100[minus]x]LiF[sub x] (2223) mixed with different LiF ratios x = 0, 2, 4, 5, 6, 8, 10, and 12wt.%. It was found that the transition temperature T[sub c] was increased up to 5 wt.% of LiF. Further addition of LiF decreases T[sub c]. Therefore, 5 wt.% LiF is the optimum concentration giving a transition temperature of 130 K. Measurements of the superconducting resistance of all the samplesmore » except the (1111) compound show that the addition of 5 wt.% LiF increases T[sub c] and decreases the metastable phases. The real part of the a.c. magnetic susceptibility [chi][sub a.c.] is studied using a zero-field cooled mechanism. The temperature dependence of [chi][sub a.c.] for the prepared TlBaCaCuO having stoichiometric composition of (1111), (2223), (2234), and (3245) and that after doping with 5 wt.% LiF showed a broad feature. The transition to the complete diamagnetic state takes place in a broad transition region containing many transition steps, indicating the presence of metastable phases. The addition of LiF decreases the fluctuation in the transition region and its effect in reducing the number of multiphases. 29 refs., 10 refs.« less

Electrochemical properties and structures of the mixed-valence lithium cuprates Li 3Cu 2O 4 and Li 2NaCu 2O 4

NASA Astrophysics Data System (ADS)

Raekelboom, E. A.; Hector, A. L.; Weller, M. T.; Owen, J. R.

The electrochemical performances of Li 3Cu 2O 4 and Li 2NaCu 2O 4 as cathode materials in lithium coin type batteries have been studied. In Li 3Cu 2O 4, the copper was oxidised to the III level when cycling. The replacement of the lithium by the sodium ions in the octahedral sites in Li 2NaCu 2O 4 might have an effect on the pathway of the lithium ions during the (de)intercalations.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Study of the cosmogenic activation in NaI(Tl) crystals within the ANAIS experiment

NASA Astrophysics Data System (ADS)

Villar, P.; Amaré, J.; Cebrián, S.; Coarasa, I.; García, E.; Martínez, M.; Oliván, M. A.; Ortigoza, Y.; Ortiz de Solórzano, A.; Puimedón, J.; Sarsa, M. L.; Villar, J. A.

2018-03-01

The direct detection of galactic dark matter particles requires ultra-low background conditions. NaI(Tl) crystals are applied in the search for these dark matter particles through their interactions in the detector by measuring the scintillation signal produced. The production of long-lived isotopes in materials due to the exposure to cosmic rays on Earth’s surface can be an hazard for these ultra-low background demanding experiments, typically performed underground. Therefore, production rates of cosmogenic isotopes in all the materials present in the experimental set-up, as well as the corresponding cosmic rays exposure history, must be both well-known in order to assess the relevance of this effect in the achievable sensitivity of a given experiment. Here, analysis of the cosmogenic studies developed from the ANAIS experiment NaI(Tl) detectors are presented. Installed inside a convenient shielding at the Canfranc Underground Laboratory just after finishing surface exposure to cosmic rays and thanks to the prompt data taking developed, identification and quantification of isotopes with half-lives of the order of tens of days were allowed, and thanks to the long-term operation of the detectors long-lived isotopes have been also identified and quantified. Main results for the activation yields of iodine and tellurium isotopes, 22Na, 113Sn, 109Cd, and tritium are presented in this work, together with the estimate of the production rates for their activation by cosmic nucleons while on Earth’s surface based on a selection of excitation functions over the entire energy range of cosmic nucleons.

The electrochemical performance of super P carbon black in reversible Li/Na ion uptake

NASA Astrophysics Data System (ADS)

Peng, Bo; Xu, Yaolin; Wang, Xiaoqun; Shi, Xinghua; Mulder, Fokko M.

2017-06-01

Super P carbon black (SPCB) has been widely used as a conducting additive in Li/Na ion batteries to improve the electronic conductivity. However, there has not yet been a comprehensive study on its structure and electrochemical properties for Li/Na ion uptake, though it is important to characterize its contribution in any study of active materials that uses this additive in non-negligible amounts. In this article the structure of SPCB has been characterized and a comprehensive study on the electrochemical Li/Na ion uptake capability and reaction mechanisms are reported. SPCB exhibits a considerable lithiation capacity (up to 310 mAh g-1) from the Li ion intercalation in the graphite structure. Sodiation in SPCB undergoes two stages: Na ion intercalation into the layers between the graphene sheets and the Na plating in the pores between the nano-graphitic domains, and a sodiation capacity up to 145 mAh g-1 has been achieved. Moreover, the influence of the type and content of binders on the lithiation and sodiation properties has been investigated. The cycling stability is much enhanced with sodium carboxymethyl cellulose (NaCMC) binder in the electrode and fluoroethylene carbonate (FEC) in the electrolyte; and a higher content of binder improves the Coulombic efficiency during dis-/charge.

Calorimetric measurements on Li4C60 and Na4C60

NASA Astrophysics Data System (ADS)

Inaba, Akira; Miyazaki, Yuji; Michałowski, Paweł P.; Gracia-Espino, Eduardo; Sundqvist, Bertil; Wâgberg, Thomas

2015-04-01

We show specific heat data for Na4C60 and Li4C60 in the range 0.4-350 K for samples characterized by Raman spectroscopy and X-ray diffraction. At high temperatures, the two different polymer structures have very similar specific heats both in absolute values and in general trend. The specific heat data are compared with data for undoped polymeric and pristine C60. At high temperatures, a difference in specific heat between the intercalated and undoped C60 polymers of 100 J K-1 mol-1 is observed, in agreement with the Dulong-Petit law. At low temperatures, the specific heat data for Li4C60 and Na4C60 are modified by the stiffening of vibrational and librational molecular motion induced by the polymer bonds. The covalent twin bonds in Li4C60 affect these motions to a somewhat higher degree than the single intermolecular bonds in Na4C60. Below 1 K, the specific heats of both materials become linear in temperature, as expected from the effective dimensionality of the structure. The contribution to the total specific heat from the inserted metal ions can be well described by Einstein functions with TE = 386 K for Li4C60 and TE = 120 K for Na4C60, but for both materials we also observe a Schottky-type contribution corresponding to a first approximation to a two-level system with ΔE = 9.3 meV for Li4C60 and 3.1 meV for Na4C60, probably associated with jumps between closely spaced energy levels inside "octahedral-type" ionic sites. Static magnetic fields up to 9 T had very small effects on the specific heat below 10 K.

Thallium (Tl) sorption onto illite and smectite: Implications for Tl mobility in the environment

NASA Astrophysics Data System (ADS)

Martin, Loïc A.; Wissocq, Aubéry; Benedetti, M. F.; Latrille, Christelle

2018-06-01

Clay minerals play a relevant role in the transport and fate of trace elements in the environment. Though illite has been referred as an important Thallium (Tl) bearing phase in soils, mechanisms and affinity of thallium for clay minerals remain poorly known. This study investigated the sorption behavior of thallium as Tl(I) onto illite and smectite, two clay minerals occurring mainly in soils and sediments. Different sorption experiments were carried out under various pH conditions and Tl concentrations, in competition with sodium and calcium at a constant ionic strength of 0.01 mol L-1. Our results showed that illite displayed more affinity than smectite for thallium. With illite, the distribution coefficients (Kd in L kg-1) varied between 102.75 ± 0.17 and 104.0 ± 0.17 in Na solutions versus between 102.25 ± 0.17 and 103.0 ± 0.17 in Ca solutions, depending on pH. With smectite, Kd (in L kg-1) ranged between 102.50 ± 0.16 and 103.20 ± 0.16 and between 101.25 ± 0.16 and 101.95 ± 0.16 in Na and Ca solutions, respectively. Sorption behavior was described with the Multi-Site Ion Exchanger model and selectivity coefficients with respect to protons were calculated for the first time. In all cases, independently of clay mineral and background electrolyte, low capacity but highly reactive sites were dominant in thallium uptake, highlighting Tl affinity for those sites. Moreover, the exchangeable and reversible interactions between Tl+ and clays reactive sites suggested that in changing conditions, thallium could be released in solution. The role of clay minerals in thallium environmental cycle is evident and confirmed illite to be a dominant Tl bearing phase, in some environment competing with manganese oxides. Compared to others Tl bearing mineral phases, clays are ranked as follows: MnO2 > illite > smectite ∼ ferrihydrite ≥ Al2O3 ∼ goethite > SiO2. Finally, over the three monovalent cations (Tl, Rb, Cs) Tl is the one less sorbed on illite independently of

Timing Performance of TlBr Detectors

NASA Astrophysics Data System (ADS)

Hitomi, Keitaro; Tada, Tsutomu; Onodera, Toshiyuki; Shoji, Tadayoshi; Kim, Seong-Yun; Xu, Yuanlai; Ishii, Keizo

2013-08-01

The timing performance of TlBr detectors was evaluated at room temperature (22 °C). 0.5-mm-thick planar TlBr detectors with Tl circular electrodes with a diameter of 3 mm were fabricated from TlBr crystals grown by the traveling molten zone method using a zone-purified material. The pulse rise time of the TlBr detector was measured using a digital oscilloscope as the cathode surface of the device was irradiated with a 22Na gamma-ray source. Coincidence timing spectra were obtained between the TlBr detector and a BaF2 scintillation detector when both detectors were irradiated with 511 keV positron annihilation gamma-rays. The timing resolution of the TlBr detector was found to be inversely proportional to the applied bias voltage. The TlBr detector, in coincidence with the BaF2 detector, exhibited timing resolutions characterized by a 6.5 ns full width at half maximum (FWHM) and an 8.5 ns FWHM with and without an energy window of 350 keV-560 keV, respectively.

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

PubMed

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.

Prawn Shell Derived Chitin Nanofiber Membranes as Advanced Sustainable Separators for Li/Na-Ion Batteries.

PubMed

Zhang, Tian-Wen; Shen, Bao; Yao, Hong-Bin; Ma, Tao; Lu, Lei-Lei; Zhou, Fei; Yu, Shu-Hong

2017-08-09

Separators, necessary components to isolate cathodes and anodes in Li/Na-ion batteries, are consumed in large amounts per year; thus, their sustainability is a concerning issue for renewable energy storage systems. However, the eco-efficient and environmentally friendly fabrication of separators with a high mechanical strength, excellent thermal stability, and good electrolyte wettability is still challenging. Herein, we reported the fabrication of a new type of separators for Li/Na-ion batteries through the self-assembly of eco-friendly chitin nanofibers derived from prawn shells. We demonstrated that the pore size in the chitin nanofiber membrane (CNM) separator can be tuned by adjusting the amount of pore generation agent (sodium dihydrogen citrate) in the self-assembly process of chitin nanofibers. By optimizing the pore size in CNM separators, the electrochemical performance of the LiFePO 4 /Li half-cell with a CNM separator is comparable to that with a commercialized polypropylene (PP) separator. More attractively, the CNM separator showed a much better performance in the LiFePO 4 /Li cell at 120 °C and Na 3 V 2 (PO 4 ) 3 /Na cell than the PP separator. The proposed fabrication of separators by using natural raw materials will play a significant contribution to the sustainable development of renewable energy storage systems.

The crystal structure of synthetic simmonsite, Na 2LiAlF 6

NASA Astrophysics Data System (ADS)

Ross, Kirk C.; Mitchell, Roger H.; Chakhmouradian, Anton R.

2003-04-01

The structure of the synthetic fluoroperovskite, Na 2LiAlF 6 (simmonsite), has been determined by powder X-ray diffraction using the Rietveld method of structure refinement. The compound adopts space group P2 1/ n [#14; a=5.2842(1); b=5.3698(1); c=7.5063(2) Å; β=89.98(1)°; Z=4), and is a member of the cryolite (Na 2NaAlF 6) structural group characterized by ordering of the B-site cations (Li, Al) and tilting of the BF 6 octahedra according to the tilt scheme a-b-c+. Rotations of the B-site polyhedra are less ( ΦLi=14.9°; ΦAl=17.0°) than those found in cryolite ( ΦNa=18.6; ΦAl=23.5°) because of the larger difference in the ionic radii of the B-site cations in cryolite as compared to those in simmonsite. Na at the A-site is displaced from the special position resulting in 10- and 8-fold coordination in simmonsite and cryolite, respectively. By analogy with the synthetic compound, naturally occurring simmonsite is considered to adopt space group P2 1/ n (#14) and not the P2 1(#4) or P2 1/ m(#11) space groups.

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

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

He, Wen; Zhang, Xudong; Jin, Chao; Wang, Yaoyao; Mossin, Susanne; Yue, Yuanzheng

2017-02-01

Electrode materials can display superior electrochemical performances and behavior via the nanoscale design. Here, the low-temperature synthesis of nano-glass ceramics (NGCs) is based on inheriting the network structure of yeast polyphosphate metabolism. The NGCs-3 sample synthesized with a molar ratio of Fe/V = 7:6 is composed of nano-domains of semiconducting oxide glass (Li2O-Na2O-Fe2O3-V2O5-P2O5, LNFVP), nanocrystalline particles (Li9Fe3P8O29, Li0.6V1.67O3.67 and VOPO4), and nanopores connected by interfaces. We have clarified the mixing ion transport mechanism and the electrochemical 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-1) and energy storage density (525 Whkg-1) at 5C, and the capacity retention reaches 70% after 1000 cycles. More importantly, we have established a direct relationship between the electrochemical kinetics and nanostructure of NGC electrode materials.

Spectroelectrochemistry of EuCl 3 in Four Molten Salt Eutectics; 3 LiCl−NaCl, 3 LiCl−2 KCl, LiCl−RbCl, and 3 LiCl−2 CsCl; at 873 K

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

Schroll, Cynthia A.; Chatterjee, Sayandev; Levitskaia, Tatiana

Key electrochemical properties affecting pyroprocessing of nuclear fuel were examined in four eutectic melts using using Eu3+/2+ as a representative probe. We report the electrochemical and spectroelectrochemical behavior of EuCl3 in four molten salt eutectics (3 LiCl – NaCl, 3 LiCl – 2 KCl, LiCl – RbCl and 3 LiCl – 2 CsCl) at 873 K. Cyclic voltammetry was used to determine the redox potential for Eu3+/2+ and the applied potentials for spectroelectrochemistry. Single step chronoabsorptometry and thin-layer spectroelectrochemistry were used to obtain the number of electrons transferred, redox potentials and diffusion coefficients for Eu3+ in each eutectic melt. Themore » redox potentials determined by thin-layer spectroelectrochemistry were extremely close to those obtained using cyclic voltammetry. The redox potential for Eu3+/2+ was most positive in the 3 LiCl - NaCl melt, showed a negative shift in the 3 LiCl - 2 KCl melt, and was the most negative in the LiCl - RbCl and 3 LiCl - 2 CsCl eutectics. The diffusion coefficient for Eu3+ followed this same trend; it was the largest in the 3 LiCl - NaCl melt and the smallest in the LiCl - RbCl and 3 LiCl - 2 CsCl melts. The basic one-electron reversible electron transfer for Eu3+/2+ was not changed by melt composition.« less

Identification of residues that control Li+ versus Na+ dependent Ca2+ exchange at the transport site of the mitochondrial NCLX.

PubMed

Roy, Soumitra; Dey, Kuntal; Hershfinkel, Michal; Ohana, Ehud; Sekler, Israel

2017-06-01

The Na + /Ca 2+ /Li + exchanger (NCLX) is a member of the Na + /Ca 2+ exchanger family. NCLX is unique in its capacity to transport both Na + and Li + , unlike other members, which are Na + selective. The major aim of this study was twofold, i.e., to identify NCLX residues that confer Li + or Na + selective Ca 2+ transport and map their putative location on NCLX cation transport site. We combined molecular modeling to map transport site of NCLX with euryarchaeal H + /Ca 2+ exchanger, CAX_Af, and fluorescence analysis to monitor Li + versus Na + dependent mitochondrial Ca 2+ efflux of transport site mutants of NCLX in permeabilized cells. Mutation of Asn149, Pro152, Asp153, Gly176, Asn467, Ser468, Gly494 and Asn498 partially or strongly abolished mitochondrial Ca 2+ exchange activity in intact cells. In permeabilized cells, N149A, P152A, D153A, N467Q, S468T and G494S demonstrated normal Li + /Ca 2+ exchange activity but a reduced Na + /Ca 2+ exchange activity. On the other hand, D471A showed dramatically reduced Li + /Ca 2+ exchange, but Na + /Ca 2+ exchange activity was unaffected. Finally, simultaneous mutation of four putative Ca 2+ binding residues was required to completely abolish both Na + /Ca 2+ and Li + /Ca 2+ exchange activities. We identified distinct Na + and Li + selective residues in the NCLX transport site. We propose that functional segregation in Li + and Na + sites reflects the functional properties of NCLX required for Ca 2+ exchange under the unique membrane potential and ion gradient across the inner mitochondrial membrane. The results of this study provide functional insights into the unique Li + and Na + selectivity of the mitochondrial exchanger. This article is part of a Special Issue entitled: ECS Meeting edited by Claus Heizmann, Joachim Krebs and Jacques Haiech. Copyright © 2017 Elsevier B.V. All rights reserved.

New molten salt systems for high temperature molten salt batteries: Ternary and quaternary molten salt systems based on LiF-LiCl, LiF-LiBr, and LiCl-LiBr

NASA Astrophysics Data System (ADS)

Fujiwara, Syozo; Inaba, Minoru; Tasaka, Akimasa

Using a new simulative technique developed by us, we systematically investigated new ternary or quaternary molten salt systems, which are based on LiF-LiCl, LiF-LiBr, and LiCl-LiBr binary systems, for use as electrolytes in thermal batteries, and evaluated their ionic conductivities and melting points experimentally. It was confirmed experimentally that LiF-LiBr-KF (melting point: 425 °C, ionic conductivity at 500 °C: 2.52 S cm -1), LiCl-LiBr-KF (405 °C, 2.56 S cm -1), LiCl-LiBr-NaF-KF (425 °C, 3.11 S cm -1), LiCl-LiBr-NaCl-KCl (420 °C, 2.73 S cm -1), and LiCl-LiBr-NaBr-KBr (420 °C, 2.76 S cm -1) meet our targets for both melting point (350-430 °C) and ionic conductivity (2.0 S cm -1 and higher at 500 °C). A single cell using the newly developed LiCl-LiBr-NaCl-KCl molten salt as an electrolyte was prepared, and the DC-IR of the cell decreased by 20% than that of a single cell using the conventional LiCl-KCl molten salt. It was therefore concluded that the use of new quaternary molten salt systems can improve the discharge rate-capability in practical battery applications because of their high ionic conductivities.

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

PubMed

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.

Rational Design of Na(Li1/3 Mn2/3 )O2 Operated by Anionic Redox Reactions for Advanced Sodium-Ion Batteries.

PubMed

Kim, Duho; Cho, Maenghyo; Cho, Kyeongjae

2017-09-01

In an effort to develop high-energy-density cathodes for sodium-ion batteries (SIBs), low-cost, high capacity Na(Li 1/3 Mn 2/3 )O 2 is discovered, which utilizes the labile O 2p-electron for charge compensation during the intercalation process, inspired by Li 2 MnO 3 redox reactions. Na(Li 1/3 Mn 2/3 )O 2 is systematically designed by first-principles calculations considering the Li/Na mixing enthalpy based on the site preference of Na in the Li sites of Li 2 MnO 3 . Using the anionic redox reaction (O 2- /O - ), this Mn-oxide is predicted to show high redox potentials (≈4.2 V vs Na/Na + ) with high charge capacity (190 mAh g -1 ). Predicted cathode performance is validated by experimental synthesis, characterization, and cyclic performance studies. Through a fundamental understanding of the redox reaction mechanism in Li 2 MnO 3 , Na(Li 1/3 Mn 2/3 )O 2 is designed as an example of a new class of promising cathode materials, Na(Li 1/3 M 2/3 )O 2 (M: transition metals featuring stabilized M 4+ ), for further advances in SIBs. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthèse et étude structrale de lyonsite-type (Na0,4,Li0,6)(Fe,Li2)(MoO4)3

PubMed Central

Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed

2015-01-01

The new compound (Na0.4,Li0.6)(Fe,Li2)(MoO4)3 was synthesized by cooling from the melt. Its anionic framework is built up from two distinct MO6 octa­hedra, each containing disordered Li+ and Fe3+ ions in 0.6:0.4 and 0.7:0.3 ratios, and two MoO4 tetra­hedra, which link by vertex-sharing of their O atoms. These tetra­meric units are further linked by sharing edges between octa­hedra and by formation of M—O—Mo (M = Fe/Li) bridges, forming ribbons propagating in the [100] direction. The ribbons are cross-linked in both the b- and c-axis directions, giving rise to a three-dimensional framework having [100] tunnels in which the monovalent Na+/Li+ cations (0.4:0.6 ratio) lie. Bond-valence calculations are consistent with the disorder model for the cations. The structure of the title compound, which is isotypic with Li3Fe(MoO4)3 and Li3Ga(MoO4)3, is compared briefly with those of LiFeMo2O8 and Li1.6Mn2.2(MoO4)3. PMID:26090130

A gamma and neutron phoswich read out with SiPM for SPRD

NASA Astrophysics Data System (ADS)

Huang, Tuchen; Fu, Qibin; Yuan, Cenxi; Lin, Shaopeng

2018-02-01

A gamma and neutron phoswich was developed for spectroscopic personal radiation detectors (SPRDs). It consisted of a Φ25 × 25 mm NaI(Tl) crystal for gamma detection and a Φ25 × 3 mm LiI(Eu) crystal for neutron detection. The phoswich was read out by 8 × 8 ch SiPM array (24 × 24 mm2). Radiations in NaI(Tl) and LiI(Eu) were discriminated by pulse shape, while gammas and neutrons in LiI(Eu) were separated by pulse amplitude. For the LiI(Eu), the gamma equivalent energy for thermal neutrons was measured as 3.6 ± 0.1 MeV, providing satisfactory gamma rejection. For NaI(Tl), the response of SiPM array was well linear in the energy range up to 1408 keV, at which a deviation less than 2% was measured. Digital pulse shape discrimination (PSD) was implemented with an 8-bit digitizer running at 50 MSPS sampling rate and offline analysis. The signal pulses from NaI(Tl) and LiI(Eu) showed significant difference in falling edge allowing effective PSD. The best figure of merit (FOM) was measured as 4.4 ± 0.2 with optimized parameters, providing excellent PSD performance. The energy resolutions for 661.6 keV gamma rays in NaI(Tl) and thermal neutrons in LiI(Eu) were measured as 7.0 ± 0.2% and 11.2 ± 0.2% respectively, with selected PSD threshold.

Phase diagram of the LiNO3-NaNO3-NaCl-Sr(NO3)2 salt system

NASA Astrophysics Data System (ADS)

Rasulov, A. I.; Gasanaliev, A. M.; Mamedova, A. K.; Gamataeva, B. Yu.

2015-04-01

The phase diagram of the quaternary LiNO3-NaNO3-NaCl-Sr(NO3)2 system is studied by means of differential thermal analysis, and the compositions and crystallization temperatures of nonvariant equilibrium phases are revealed. The temperature dependence of conductivity in eutectic and peritectic salt compositions is investigated.

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

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

Finegan, Donal; Robinson, James B.; Heenan, Thomas M. M.

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 inmore » 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.« less

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

NASA Astrophysics Data System (ADS)

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.

Measurement of muon annual modulation and muon-induced phosphorescence in NaI(Tl) crystals with DM-Ice17

DOE PAGES

Cherwinka, J.; Grant, D.; Halzen, F.; ...

2016-02-01

We report the measurement of muons and muon-induced phosphorescence in DM-Ice17, a NaI(Tl) direct detection dark matter experiment at the South Pole. Muon interactions in the crystal are identified by their observed pulse shape and large energy depositions. The measured muon rate in DM-Ice17 is 2.93±0.04 μ/crystal/day with a modulation amplitude of 12.3±1.7%, consistent with expectation. Following muon interactions, we observe long-lived phosphorescence in the NaI(Tl) crystals with a decay time of 5.5±0.5 s. The prompt energy deposited by a muon is correlated to the amount of delayed phosphorescence, the brightest of which consist of tens of millions of photons.more » These photons are distributed over tens of seconds with a rate and arrival timing that do not mimic a scintillation signal above 2 keV ee. Furthermore, while the properties of phosphorescence vary among individual crystals, the annually modulating signal observed by DAMA cannot be accounted for by phosphorescence with the characteristics observed in DM-Ice17.« less

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

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

Fedotov, Stanislav S.; Skoltech Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology, 143026 Moscow; Kuzovchikov, Sergey M.

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 electrodemore » 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.« less

Lowest-energy structures of (C60)nX (X=Li+,Na+,K+,Cl-) and (C60)nYCl (Y=Li,Na,K) clusters for n

PubMed

Hernández-Rojas, J; Bretón, J; Gomez Llorente, J M; Wales, D J

2004-12-22

Basin-hopping global optimization is used to find likely candidates for the lowest minima on the potential energy surface of (C(60))(n)X (X=Li(+),Na(+),K(+),Cl(-)) and (C(60))(n)YCl (Y=Li,Na,K) clusters with nLi(+), tetrahedral for Na(+) and K(+), and octahedral for Cl(-). When the required coordination site does not exist in the corresponding (C(60))(n) global minimum, the lowest minimum of the doped system may be based on an alternative geometry. This situation is particularly common in the Cl(-) complexes, where the (C(60))(n) global minima with icosahedral packing change into decahedral or closed-packed forms for the ions. In all the ions we find a significant binding energy for the doped cluster. In the alkali chloride complexes the preferred coordination for the diatomic moiety is octahedral and is basically determined by the Cl(-) ion. However, the smaller polarization energies in this case mean that a change in structure from the (C(60))(n) global minimum does not necessarily occur if there is no octahedral site. (c) 2004 American Institute of Physics.

Cellular cation transport studied by 6/7Li and 23Na NMR in a porous Mo132 Keplerate type nano-capsule as model system.

PubMed

Rehder, Dieter; Haupt, Erhard T K; Müller, Achim

2008-01-01

Li+ ions can interplay with other cations intrinsically present in the intra- and extra-cellular space (i.e. Na+, K+, Mg2+ and Ca2+) have therapeutic effects (e.g. in the treatment of bipolar disorder) or toxic effects (at higher doses), likely because Li+ interferes with the intra-/extra-cellular concentration gradients of the mentioned physiologically relevant cations. The cellular transmembrane transport can be modelled by molybdenum-oxide-based Keplerates, i.e. nano-sized porous capsules containing 132 Mo centres, monitored through 6/7Li as well as 23Na NMR spectroscopy. The effects on the transport of Li+ cations through the 'ion channels' of these model cells, caused by variations in water amount, temperature, and by the addition of organic cationic 'plugs' and the shift reagent [Dy(PPP)2](7-) are reported. In the investigated solvent systems, water acts as a transport mediator for Li+. Likewise, the counter-transport (Li+/Na+, Li+/K+, Li+/Cs+ and Li+/Ca2+) has been investigated by 7Li NMR and, in the case of Li+/Na+ exchange, by 23Na NMR, and it has been shown that most (in the case of Na+ and K+, all (Ca2+) or almost none (Cs+) of the Li cations is extruded from the internal sites of the artificial cell to the extra-cellular medium, while Na+, K+ and Ca2+ are partially incorporated.

Todorokite-type manganese oxide nanowires as an intercalation cathode for Li-ion and Na-ion batteries

DOE PAGES

Byles, B. W.; West, P.; Cullen, D. A.; ...

2015-12-03

Extended hydrothermal treatment at an elevated temperature of 220 °C allowed high yield synthesis of manganese oxide nanowires with a todorokite crystal structure suitable for ions intercalation. The flexible, high aspect ratio nanowires are 50–100 nm in diameter and up to several microns long, with 3 × 3 structural tunnels running parallel to the nanowire longitudinal axis. Moreover, the tunnels are occupied by magnesium ions and water molecules, with the chemical composition found to be Mg 0.2MnO 2·0.5H 2O. The todorokite nanowires were, for the first time, electrochemically tested in both Li-ion and Na-ion cells. A first discharge capacity ofmore » 158 mA h g -1 was achieved in a Na-ion system, which was found to be greater than the first discharge capacity in a Li-ion system (133 mA h g -1). In spite of the large structural tunnel dimensions, todorokite showed a significant first cycle capacity loss in a Na-ion battery. After 20 cycles, the capacity was found to stabilize around 50 mA h g -1 and remained at this level for 100 cycles. In a Li-ion system, todorokite nanowires showed significantly better capacity retention with 78% of its initial capacity remaining after 100 cycles. Rate capability tests also showed superior performance of todorokite nanowires in Li-ion cells compared to Na-ion cells at higher current rates. Finally, these results highlight the difference in electrochemical cycling behavior of Li-ion and Na-ion batteries for a host material with spacious 3 × 3 tunnels tailored for large Na + ion intercalation.« less

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

PubMed

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-.

Combined modification by LiAl11O17 and NaAl11O17 to enhance the electrochemical performance of Li4Ti5O12

NASA Astrophysics Data System (ADS)

Zhang, Bo; Han, Jian-Ping; Wang, Li-Ying; Lun, Ning; Zhu, Hui-Ling; Yin, Long-Wei; Li, Hui; Qi, Yong-Xin; Bai, Yu-Jun

2018-07-01

The intrinsically moderate Li-ion diffusion coefficient and poor electronic conductivity of Li4Ti5O12 (LTO) restricts the practical application in Li-ion batteries. In view of the rapid two-dimensional diffusion channels in ionic conductor of LiNaAl22O34 for Li-ions, the LTO modified by combining equivalent molar ratio of LiAl11O17 with NaAl11O17 (LNAO) was fabricated by a simple reaction between LiNO3, Na2CO3, Al(NO3)3ṡ9H2O and LTO at various sintering temperatures. The product with a LNAO/LTO mass ratio of 0.0106 and calcined at 600 °C achieved reversible capacities of 163.8, 160.6, 156.5, 150.9, 132.9 and 163.4 mAh g-1 at the current rates of 100, 200, 400, 800, 1600 and 100 mA g-1, respectively. Even cycled 800 times at 500 mA g-1, a capacity of 147.9 mAh g-1 was retained. The outstanding cycling and rate performance is attributable to the simultaneously formed LNAO coating on the LTO particles and superficial Al3+ doping in the LTO, achieving combined improvement in the ionic and electronic conductivities of LTO and thus boosting the comprehensive electrochemical performance of LTO.

Tissue-equivalent TL sheet dosimetry system for X- and gamma-ray dose mapping.

PubMed

Nariyama, N; Konnai, A; Ohnishi, S; Odano, N; Yamaji, A; Ozasa, N; Ishikawa, Y

2006-01-01

To measure dose distribution for X- and gamma rays simply and accurately, a tissue-equivalent thermoluminescent (TL) sheet-type dosemeter and reader system were developed. The TL sheet is composed of LiF:Mg,Cu,P and ETFE polymer, and the thickness is 0.2 mm. For the TL reading, a square heating plate, 20 cm on each side, was developed, and the temperature distribution was measured with an infrared thermal imaging camera. As a result, linearity within 2% and the homogeneity within 3% were confirmed. The TL signal emitted is detected using a CCD camera and displayed as a spatial dose distribution. Irradiation using synchrotron radiation between 10 and 100 keV and (60)Co gamma rays showed that the TL sheet dosimetry system was promising for radiation dose mapping for various purposes.

CHARACTERISTICS OF THERMOLUMINESCENCE LiF:Mg,Cu,Ag NANOPHOSPHOR.

PubMed

Yahyaabadi, A; Torkzadeh, F; Rezaei-Ochbelagh, D

2018-04-23

A nanophosphor of LiF:Mg,Cu,Ag was prepared by planetary ball milling for the first time in the laboratory. The size and shape of the nanophosphor were confirmed by XRD and SEM, which showed that it was cubic in shape and ~53 nm in size. The thermoluminescence (TL) characteristics of this nanophosphor were then investigated. It was found that the optimum annealing condition was 250°C for 10 min. The TL sensitivity of the prepared nanopowder was less than that of its micropowder counterpart and the TL glow curve structure exhibited several peaks. The LiF:Mg,Cu,Ag nanophosphor exhibited a linear response over a range of doses from 1 Gy to ~10 kGy. From this study, it appears that LiF:Mg,Cu,Ag nanophosphor is a good candidate for dosimetry because of its linearity over a range of doses, low tendency to fade, good repeatability and simple glow curve structure.

Thermopower of thermoelectric materials with resonant levels: PbTe:Tl versus PbTe:Na and Cu1 -xNix

NASA Astrophysics Data System (ADS)

Wiendlocha, Bartlomiej

2018-05-01

Electronic transport properties of thermoelectric materials containing resonant levels are discussed by analyzing the two best known examples: copper-nickel metallic alloy (Cu-Ni, constantan) and thallium-doped lead telluride (PbTe:Tl). As a contrasting example of a material with a nonresonant impurity, sodium-doped PbTe is considered. Theoretical calculations of the electronic structure, Bloch spectral functions, and energy-dependent electrical conductivity at T =0 K are done using the Korringa-Kohn-Rostoker method with the coherent potential approximation and the Kubo-Greenwood formalism. The effect of a resonance on the residual resistivity and electronic lifetimes in PbTe is analyzed. By using the full Fermi integrals, room-temperature thermopower is calculated, confirming its increase in PbTe:Tl versus PbTe:Na, due to the presence of the resonant level. In addition, our calculations support the self-compensation model, in which the experimentally observed reduction of carrier concentration in PbTe:Tl against the nominal one is explained by the presence of n -type Te vacancies.

Calorimetric Study of Alkali Metal Ion (K +, Na +, Li +) Exchange in a Clay-Like MXene

DOE PAGES

Sharma, Geetu; Muthuswamy, Elayaraja; Naguib, Michael; ...

2017-06-21

Intercalation of ions in layered materials has been explored to improve the rate capability in Li-ion batteries and supercapacitors. This work investigates the energetics of alkali ion exchange in a clay-like MXene, Ti 3C 2T x, where T x stands for anionic surface moieties, by immersion calorimetry in aqueous solutions. The measured immersion enthalpies of clay-like Ti 3C 2T x, ΔH imm, at 25 °C in 1 M KCl, 1 M NaCl, 1 M LiCl, and nanopure water are -9.19 (±0.56), -5.90 (±0.31), -1.31 (±0.20), and -1.29 (±0.13) kJ/mol of MXene, respectively. Inductively coupled plasma mass spectrometry is used tomore » obtain the concentrations of alkali ions in the solid and aqueous phases. Using these concentrations, the enthalpies of exchange of alkali metal ions (Li+, Na+, and K+) are calculated; ΔHex in 1 M KCl, 1 M NaCl, 1 M LiCl, and nanopure water are -9.3 (±2.2), 21.0 (±0.9), -1.3 (±0.2), and 302.4 (±0.6) kJ/mol of MXene, respectively. Both immersion and exchange enthalpies are most exothermic for potassium. This suggests that K+ ions interact more strongly with anions present in the interlayers of this MXene than Na + and Li + ions. Water vapor adsorption calorimetry indicates very weak interaction of water with the MXene, while immersion calorimetry suggests a weakly hydrophilic nature of the MXene surface.« less

Calorimetric Study of Alkali Metal Ion (K +, Na +, Li +) Exchange in a Clay-Like MXene

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

Sharma, Geetu; Muthuswamy, Elayaraja; Naguib, Michael

Intercalation of ions in layered materials has been explored to improve the rate capability in Li-ion batteries and supercapacitors. This work investigates the energetics of alkali ion exchange in a clay-like MXene, Ti 3C 2T x, where T x stands for anionic surface moieties, by immersion calorimetry in aqueous solutions. The measured immersion enthalpies of clay-like Ti 3C 2T x, ΔH imm, at 25 °C in 1 M KCl, 1 M NaCl, 1 M LiCl, and nanopure water are -9.19 (±0.56), -5.90 (±0.31), -1.31 (±0.20), and -1.29 (±0.13) kJ/mol of MXene, respectively. Inductively coupled plasma mass spectrometry is used tomore » obtain the concentrations of alkali ions in the solid and aqueous phases. Using these concentrations, the enthalpies of exchange of alkali metal ions (Li+, Na+, and K+) are calculated; ΔHex in 1 M KCl, 1 M NaCl, 1 M LiCl, and nanopure water are -9.3 (±2.2), 21.0 (±0.9), -1.3 (±0.2), and 302.4 (±0.6) kJ/mol of MXene, respectively. Both immersion and exchange enthalpies are most exothermic for potassium. This suggests that K+ ions interact more strongly with anions present in the interlayers of this MXene than Na + and Li + ions. Water vapor adsorption calorimetry indicates very weak interaction of water with the MXene, while immersion calorimetry suggests a weakly hydrophilic nature of the MXene surface.« less

First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

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

Yildirim, Handan; Kinaci, Alper; Chan, Maria K. Y.

The formation mechanism and composition of the solid electrolyte interphase (SEI) in lithium ion batteries has been widely explored. However, relatively little is known about the function of the SEI as a transport medium. Such critical information is directly relevant to battery rate performance, power loss, and capacity fading. To partially bridge this gap in the case of inorganic SEI compounds, we report herein the results of first-principles calculations on the defect thermodynamics, the dominant diffusion carriers, and the diffusion pathways associated with crystalline LiF and NaF, which are stable components of the SEI in Li-ion and Na-ion batteries, respectively.more » The thermodynamics of common point defects are computed, and the dominant diffusion carriers are determined over a voltage range of 0-4 V, corresponding to conditions relevant to both anode and cathode SEI's. Our analyses reveal that for both compounds, vacancy defects are energetically more favorable, therefore form more readily than interstitials, due to the close-packed nature of the crystal structures. However, the vacancy concentrations are very small for the diffusion processes facilitated by defects. Ionic conductivities are calculated as a function of voltage, considering the diffusion carrier concentration and the diffusion barriers as determined by nudged elastic band calculations. These conductivities are more than ten orders of magnitude smaller in NaF than in LiF. As compared to the diffusivity of Li in other common inorganic SEI compounds, such as Li2CO3 and Li2O,the cation diffusivity in LiF and NaF is quite low, with at least three orders of magnitude lower ionic conductivities. The results quantify the extent to which fluorides pose rate limitations in Li and Na batteries.« less

Designing and Diagnosing Novel Electrode Materials for Na-ion Batteries: Potential Alternatives to Current Li-ion Batteries

NASA Astrophysics Data System (ADS)

Xu, Jing

Owing to outstanding energy density, Li-ion batteries have dominated the portable electronic industry for the past 20 years and they are now moving forward powering electric vehicles. In light of concerns over limited lithium reserve and rising lithium costs in the future, Na-ion batteries have re-emerged as potential alternatives for large scale energy storage. On the other hand, though both sodium and lithium are alkali metals sharing many chemical similarities, research on Na-ion batteries is still facing many challenges due to the larger size and unique bonding characteristics of Na ions. In this thesis, a series of sodium transition metal oxides are investigated as cathode materials for Na-ion batteries. P2 - Na2/3[Ni1/3 Mn2/3]O2 is firstly studied with a combination of first principles calculation and experiment, and battery performance is improved by excluding the phase transformation region. Li substituted compound, P2-Na0.8[Li0.12Ni0.22Mn0.66]O 2, is then explored. Its crystal / electronic structure evolution upon cycling is tracked by combing in situ synchrotron X-ray diffraction, ex situ X-ray absorption spectroscopy and solid state NMR. It is revealed that the presence of Li-ions in the transition metal layer allows increased amount of Na-ions to maintain the P2 structure during cycling. The design principles for the P2 type Na cathodes are devised based on this in-depth understanding and an optimized composition is proposed. The idea of Li substitution is then transferred to O3 type cathode. The new material, O3 - Na0.78 Li0.18Ni0.25Mn0.583O2, shows discharge capacity of 240 mAh/g, which is the highest capacity and highest energy density so far among cathode materials in Na-ion batteries. With significant progress on cathode materials, a comprehensive understanding of Na2Ti3O7 as anode for Na-ion batteries is discussed. The electrochemical performance is enhanced, due to increased electronic conductivity and reduced SEI formation with carbon coating

Structure cristalline de NaLiYb/sub 2/F/sub 8/: composes isotypes

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

Dib, A.; Gorius, M.F.; Aleonard, S.

1986-11-15

NaLiYb/sub 2/F/sub 8/ crystallizes in the monoclinic system, space group C2/c, with a = 10.3516(9), b = 8.2069(9), c = 6,9674(7) A, ..beta.. = 90/sup 0/, Z = 4. The crystal structure has been solved from single crystal diffractometer measurements (AgK..cap alpha.. radiation) using Patterson and Fourier syntheses and refined by a least-squares method. The final R value is 0.021 for 1756 independent observed reflections. Two YbF/sub 8/ polyhedra share one of their edges to form Yb/sub 2/F/sub 14/ groups which are three-dimensionally linked and create cavities in which Na and Li are located. Yb/sub 2/F/sub 14/ groups share twomore » of their edges with these of one NaF/sub 7/ (or NaF/sub 9/ polyhedron to form Y/sub 2/NaF/sub 20/ blocks. As well, the structure may be described by the packing of planes formed by these two-dimensionally linked blocks. The description of this structure is compared with that ascribed to NaLiY/sub 2/F/sub 8/, which has been described in the monoclinic system, space group P2/sub 1//m, with a' = (a + b)/2, b' = c,c' = (b - a)/2, Z = 2. It is shown that positions of the atoms confer pseudoorthorhombic symmetry on the cell. Lattice parameters of isotypic compounds are given in the pseudoorthorhombic lattice and they are compared with those recently published with the structure described in the monoclinic system, space group P2/sub 1//m.« less

The Competitive Influence of Li+, Na+, K+, Ag+, and H+ on the Fragmentation of a PEGylated Polymeric Excipient

NASA Astrophysics Data System (ADS)

Wei, Juan; Bristow, Anthony W. T.; O'Connor, Peter B.

2015-01-01

The collisionally activated dissociation (CAD) and electron capture dissociation (ECD) of doubly charged tocopheryl polyethylene glycol succinate (TPGS) have been examined. Li+, Na+, K+, Ag+, and H+ were selected in the study, and the competitive influence of each ion was investigated by fragmenting TPGS attached with two different cations, [M + X1 + X2]2+ (X1 and X2 refer to Li+, Na+, K+, Ag+, H+). For metallic adducts, CAD results show that the dissociation of ionic adducts from the precursor is most likely depending on the binding strength, where the affinity of each ion to the TPGS is in the order of Ag+ ≈ Li+ ˃ Na+ ˃ K+. Introducing more strongly bound adducts increases fragmentation. During ECD, however, the silver cation is lost most easily compared with the other alkali metal ions, but silver also shows a dominant role in producing fragmentations. Moreover, the charge carriers are lost in an order (Ag+ ˃ Na+ ˃ K+ ≥ Li+ where the loss of Ag is most easily) that appears to correlate with the standard reduction potential of the metallic ions (Ag+ ˃ Na+ ˃ K+ ˃ Li+). The ECD results suggest that the reduction potential of the charge carrier could be an important factor influencing the fragmentation, where the ion with a high reduction potential is more effective in capturing electrons, but may also be lost easily before leading to any fragmentation. Finally, a proton has the weakest binding with the TPGS according to the CAD results, and its dissociation in ECD follows the order of the reduction potential (Ag+ ˃ H+ ˃ Na+ ˃ K+ > Li+).

Lithium salt of biphenyl tetracarboxylate as an anode material for Li/Na-ion batteries

NASA Astrophysics Data System (ADS)

Medabalmi, Veerababu; Wang, Guanxiong; Ramani, Vijay K.; Ramanujam, Kothandaraman

2017-10-01

Electrochemical lithiation/delithiation and sodiation/desodiation studies are carried out on lithium [1,1‧-biphenyl]-3,3‧,4,4‧-tetracarboxylate (Li4-BPTC). Although four Li+ can be inserted, only two Li+ was reversible yielding a capacity of 110, 122 and 107 mAh g-1 (after 50 cycles) at a current density of 40, 80 and 160 mA g-1 respectively. As sodium analog of Li4-BPTC is unstable in the ambient conditions, Li4-BPTC was tested in sodium half-cell and a reversible capacity of 107 mAh g-1 was obtained even after 200 cycles at 160 mA g-1 rate. The exchange of Li+ by Na+ in Li4-BPTC electrode during the electrochemical sodiation/desodiation was confirmed by ICP-OES and XPS studies.

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.

PubMed

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.

Gamma ray detection with long NaI/Tl/ scintillator bars

NASA Technical Reports Server (NTRS)

Zych, A. D.; Tumer, O. T.; Dayton, B.

1983-01-01

Test measurements with a prototype NaI(Tl) scintillator for energy, position, and timing measurements in gamma ray astronomy are reported. The scintillator bar is 100 x 5 x 5 cu cm in size, and allows detection of the arrival times and pulse heights of signals from two photomultiplier tubes, one at each end of the bar. Data is gathered on the energy loss, linear position, and time-of-flight of gamma ray interactions within the bar over an energy range of 0.5-20 MeV. A mean attenuation coefficient of 0.015/cm has been determined, as have a FWHM resolution of 5 cm, 9.4%, and 10 nsec at an energy of 0.662 MeV. At 1.25 MeV the timing resolution was 6 nsec, and at 6.13 MeV the spatial resolution was 2.2 cm. The instrument is a prototype of a Compton scatter telescope being constructed for two balloon flights, one each in the Northern and Southern Hemispheres, in 1984.

First-principles study on alkali-metal effect of Li, Na, and K in CuInSe2 and CuGaSe2

NASA Astrophysics Data System (ADS)

Maeda, Tsuyoshi; Kawabata, Atsuhito; Wada, Takahiro

2015-08-01

The substitution energies and migration energies of the alkali metal atoms of Li, Na, and K in CuInSe2 (CIS) and CuGaSe2 (CGS) were investigated by first-principles calculations. The substitution energies of Li, Na, and K atoms in CIS and CGS were calculated for two different cationic atom positions of Cu and In/Ga in the chalcopyrite unit cell. In CIS and CGS, the substitution energies of NaCu are much lower than those of NaIn and NaGa. The substitution energies of the LiCu atoms in CIS and CGS are lower than those of NaCu, while the substitution energies of KCu atoms in CIS and CGS are much higher than those of NaCu. Therefore, it is difficult to form KCu in CIS and CGS. The migration energies of Li, Na, and K atoms in CIS and CGS are obtained by a combination of the linear and quadratic synchronous transit (LST/QST) methods and the nudged elastic band (NEB) method. The theoretical migration energies of a Na atom at the Cu site to the nearest Cu vacancy (NaCu → VCu) in CIS and CGS are much lower than those of (CuCu → VCu) in CIS and CGS. The mechanism underlying the alkali metal effect of Li, Na, and K in the CIGS film during the post-deposition treatment of LiF, NaF, and KF is discussed on the basis of the calculated substitution and migration energies.

Cu+ emission in Li2BPO5 material for thermoluminescence dosimetry

NASA Astrophysics Data System (ADS)

Puppalwar, S. P.; Dhoble, S. J.; Kumar, Animesh

2012-05-01

In this study, Li2BPO5 doped with Cu and that co-doped with Mg are synthesized by the wet chemical technique and exposed to γ rays of 60Co to determine their thermoluminescence (TL) properties. The X-ray diffraction technique shows the crystalline nature of the prepared material. The photoluminescence (PL) emission spectra of Li2BPO5:Cu phosphor show the strong prominent peak at 368 nm in the violet region of the visible spectrum due to the transition of 3d94s1 ↔ 3d10 of monovalent copper ion. The PL emission of Li2BPO5:Cu is enhanced by the addition of Mg. The TL glow curves of γ-irradiated Li2BPO5:Cu sample show one glow peak at 143°C, indicating that only one set of traps is being activated within the particular temperature range each with its own value of activation energy (E) and frequency factor (s). The trapping parameters associated with the prominent glow peak of Li2BPO5:Cu are calculated using the glow curve shape (Chen's) method. The release of hole/electron from defect centers at the characteristic trap site initiates the luminescence process in these materials. A linear TL response is observed in Li2BPO5:Cu in a long span of exposures. The sensitivity of Li2BPO5:Cu sample is observed to be 7.8 times that of (TLD-100) LiF:Mg, Ti.

Insights into stability, electronic properties, defect properties and Li ions migration of Na, Mg and Al-doped LiVPO4F for cathode materials of lithium ion batteries: A first-principles investigation

NASA Astrophysics Data System (ADS)

Lv, Xiaojun; Xu, Zhenming; Li, Jie; Chen, Jiangan; Liu, Qingsheng

2016-07-01

The effects of Na, Mg and Al doping on the structure, electronic property, defect property and Li ions migration of LiVPO4F were investigated by the first-principles method. Calculations show that the processes of forming Li0.875Na0.125VPO4F, α- and β-LiMg0.375V0.75PO4F, α- and β-LiAl0.125V0.875PO4F are all feasible. Na, Mg and Al doping significantly improve the electrical conductivity of LiVPO4F and simultaneously maintain their structural stability attributing to the reduction of band gaps through variations of V-3d spin up orbitals. Li vacancy defects of LiVPO4F are not ignorable, and vacancy defects with a lower activation energy for Li atom are far more likely to occur than Frenkel defects for Li and vacancy defects for other atoms. For pristine LiVPO4F, path D along [0.012 0 . 17 ̅ 0.572] direction is found to have the lowest activation energy of 0.418 eV, suggesting that anisotropic nature of Li ion conduction and LiVPO4F is a one-dimensional (1D)-ion conductor. The corresponding diffusion coefficient was estimated to be 2.82×10-9 cm2/s, which is in good agreement with those experimental values.

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

PubMed

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

NASA Astrophysics Data System (ADS)

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

First-principles investigations of ionic conduction in Li and Na borohydrides

NASA Astrophysics Data System (ADS)

Varley, Joel; Heo, Tae-Wook; Ray, Keith; Bonev, Stanimir; Wood, Brandon

Recent experimental studies have identified a family of alkali borohydride materials that exhibit superionic transition temperatures approaching room temperature and ionic conductivities exceeding 0.1 S/cm-1, making them highly promising solid electrolytes for next-generation batteries. Despite the rapid advances in improving the superionic conductivity in these materials, an understanding of the exact mechanisms driving the transport remains unknown. Here we use ab initio molecular dynamics calculations to address this issue by characterizing the diffusivity of the Li and Na species in a representative set of closoborane ionic conductors. We investigate both the Na and Li-containing borohydrides with icosahedral (B12H12) and double-capped square antiprism (B10H10) anion species and discuss the trends in ionic conductivity as a function of stoichiometry and the incorporation of various dopants. Our results support the borohydrides as a subset of a larger family of very promising solid electrolytes and identify strategies to improving the conductivity in these materials. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior.

PubMed

Vicent-Luna, Jose Manuel; Ortiz-Roldan, Jose Manuel; Hamad, Said; Tena-Zaera, Ramon; Calero, Sofia; Anta, Juan Antonio

2016-08-18

Compositional effects on the charge-transport properties of electrolytes for batteries based on room-temperature ionic liquids (RTILs) are well-known. However, further understanding is required about the molecular origins of these effects, in particular regarding the replacement of Li by Na. In this work, we investigate the use of RTILs in batteries, by means of both classical molecular dynamics (MD), which provides information about structure and molecular transport, and ab initio molecular dynamics (AIMD), which provides information about structure. The focus has been placed on the effect of adding either Na(+) or Li(+) to 1-methyl-1-butyl-pyrrolidinium [C4 PYR](+) bis(trifluoromethanesulfonyl)imide [Tf2 N](-) . Radial distribution functions show excellent agreement between MD and AIMD, which ensures the validity of the force fields used in the MD. This is corroborated by the MD results for the density, the diffusion coefficients, and the total conductivity of the electrolytes, which reproduce remarkably well the experimental observations for all studied Na/Li concentrations. By extracting partial conductivities, it is demonstrated that the main contribution to the conductivity is that of [C4 PYR](+) and [Tf2 N](-) . However, addition of Na(+) /Li(+) , although not significant on its own, produces a dramatic decrease in the partial conductivities of the RTIL ions. The origin of this indirect effect can be traced to the modification of the microscopic structure of the liquid as observed from the radial distribution functions, owing to the formation of [Na(Tf2 N)n ]((n-1)-) and [Li(Tf2 N)n ]((n-1)-) clusters at high concentrations. This formation hinders the motion of the large ions, hence reducing the total conductivity. We demonstrate that this clustering effect is common to both Li and Na, showing that both ions behave in a similar manner at a microscopic level in spite of their distinct ionic radii. This is an interesting finding for extending Li-ion and Li

Properties of the 4.45 eV optical absorption band in LiF:Mg,Ti.

PubMed

Nail, I; Oster, L; Horowitz, Y S; Biderman, S; Belaish, Y

2006-01-01

The optical absorption (OA) and thermoluminescence (TL) of dosimetric LiF:Mg,Ti (TLD-100) as well as nominally pure LiF single crystal have been studied as a function of irradiation dose, thermal and optical bleaching in order to investigate the role of the 4.45 eV OA band in low temperature TL. Computerised deconvolution was used to resolve the absorption spectrum into individual gaussian bands and the TL glow curve into glow peaks. Although the 4.45 eV OA band shows thermal decay characteristics similar to the 4.0 eV band its dose filling constant and optical bleaching properties suggest that it cannot be associated with the TL of composite peaks 4 or 5. Its presence in optical grade single crystal LiF further suggests that it is an intrinsic defect or possibly associated with chance impurities other than Mg, Ti.

PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(i) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide.

PubMed

Sindlinger, Christian P; Lawrence, Samuel R; Acharya, Shravan; Ohlin, C André; Stasch, Andreas

2017-12-12

The salt metathesis reaction of the sterically demanding bis(iminophosphoranyl)methanide alkali metal complexes LM (L - = HC(Ph 2 P[double bond, length as m-dash]NDip) 2 - , Dip = 2,6- i Pr 2 C 6 H 3 ; M = Li, Na, K) with "GaI", InBr or TlBr afforded the monomeric group 13 metal(i) complexes LE:, E = Ga (1), In (2) and Tl (3) in moderate yields, and small quantities of LGaI 2 4 in the case of Ga, respectively. The molecular structures of LE: 1-3 from X-ray single crystal diffraction show them to contain puckered six-membered rings with N,N'-chelating methanide ligands and two-coordinated metal(i) centres. Reduction reactions of LAlI 2 5, prepared by iodination of LAlMe 2 , were not successful and no aluminium(i) congener could be prepared so far. DFT studies on LE:, E = Al-Tl, were carried out and support the formulation as an anionic, N,N'-chelating methanide ligand coordinating to group 13 metal(i) cations. The HOMOs of the molecules for E = Al-In show a dominant contribution from a metal-based lone pair that is high in s-character.

Intercomparison NaI(Tl) and HPGe spectrometry to studies of natural radioactivity on geological samples.

PubMed

Hung, Nguyen Quoc; Chuong, Huynh Dinh; Vuong, Le Quang; Thanh, Tran Thien; Tao, Chau Van

2016-11-01

In this study, in situ gamma spectra using NaI(Tl) detector have been compared with the laboratory measurements by using HPGe detector on geological samples. The results for measuring naturally occurring terrestrial gamma radiation of 4 0 K and the decay series of 232 Th and, 238 U respectively of both detectors show a maximum deviation about 5%. The mass activities series from both detectors were checked for coherence using proficiency test procedure from the International Atomic Energy Agency. The reliability and precision pass for final scores for all the analytical determinations of are received "acceptable" for all radionuclides. Copyright © 2016 Elsevier Ltd. All rights reserved.

Environmentally-friendly aqueous Li (or Na)-ion battery with fast electrode kinetics and super-long life

PubMed Central

Dong, Xiaoli; Chen, Long; Liu, Jingyuan; Haller, Servane; Wang, Yonggang; Xia, Yongyao

2016-01-01

Current rechargeable batteries generally display limited cycle life and slow electrode kinetics and contain environmentally unfriendly components. Furthermore, their operation depends on the redox reactions of metal elements. We present an original battery system that depends on the redox of I−/I3− couple in liquid cathode and the reversible enolization in polyimide anode, accompanied by Li+ (or Na+) diffusion between cathode and anode through a Li+/Na+ exchange polymer membrane. There are no metal element–based redox reactions in this battery, and Li+ (or Na+) is only used for charge transfer. Moreover, the components (electrolyte/electrode) of this system are environment-friendly. Both electrodes are demonstrated to have very fast kinetics, which gives the battery a supercapacitor-like high power. It can even be cycled 50,000 times when operated within the electrochemical window of 0 to 1.6 V. Such a system might shed light on the design of high-safety and low-cost batteries for grid-scale energy storage. PMID:26844298

Environmentally-friendly aqueous Li (or Na)-ion battery with fast electrode kinetics and super-long life.

PubMed

Dong, Xiaoli; Chen, Long; Liu, Jingyuan; Haller, Servane; Wang, Yonggang; Xia, Yongyao

2016-01-01

Current rechargeable batteries generally display limited cycle life and slow electrode kinetics and contain environmentally unfriendly components. Furthermore, their operation depends on the redox reactions of metal elements. We present an original battery system that depends on the redox of I(-)/I3 (-) couple in liquid cathode and the reversible enolization in polyimide anode, accompanied by Li(+) (or Na(+)) diffusion between cathode and anode through a Li(+)/Na(+) exchange polymer membrane. There are no metal element-based redox reactions in this battery, and Li(+) (or Na(+)) is only used for charge transfer. Moreover, the components (electrolyte/electrode) of this system are environment-friendly. Both electrodes are demonstrated to have very fast kinetics, which gives the battery a supercapacitor-like high power. It can even be cycled 50,000 times when operated within the electrochemical window of 0 to 1.6 V. Such a system might shed light on the design of high-safety and low-cost batteries for grid-scale energy storage.

Weakening of ion-channel interactions of Na+ and Li+ in acetylcholine-receptor channels of frog skeletal muscle with an increase in agonist concentration.

PubMed

Manthey, A A

1998-05-01

The possibility that increases in agonist concentration beyond threshold levels may force changes in the character of high-conductance open states of skeletal muscle nicotinic acetylcholine receptor channels (nAChR) was examined by seeing whether differences in several critical ionic properties of nAChR currents could be detected with changes in agonist level. Single- and bi-ionic whole-cell currents of Na+ and Li+ in voltage-clamped frog (Rana pipiens) muscle fibers were measured during local superfusion of endplates with carbamylcholine (carb) at concentrations of 54 microm (low-carb) and 270 microM (high-carb). Three ionic properties that would be affected by changes in the open-state configuration of channel subunits were tested. First, ion-saturation characteristics. Peak Na+ and Li+ currents in low-carb trials showed sublinear dependence on ion concentrations from 0 to 60 mM with Km values of 78 (Na+) and 49 (Li+) mM and a power function slope of 0. 75 on double-log plot. In contrast, the concentration dependence of Na+ and Li+ currents in high-carb tests was linear through the origin with a power function slope of 1.02. Second, Na+/Li+ selectivity. The ratio of peak Na+ and Li+ currents in low-carb tests varied from 1.86 to 2.28 for ion concentrations of from 20 to 60 mM [mean = 2.02 +/- 0.06 (SEM)] whereas the ratio for high-carb trials ranged from only 1.29 to 1.52 [mean = 1.42 +/- 0.40 (SEM)]. Third, competitive interactions of Na+ and Li+ currents. Equimolar mixtures of Na+ and Li+ in low-carb tests produced bi-ionic inward currents which were never larger than the single-ion Na+ current alone, but bi-ionic currents at the high-carb level were always greater than the single-ion Na+ current, approximating the sum of the single-ion Na+ and Li+ currents in most cases. The results are consistent with a decrease in ion-channel binding at the high-carb level and support the possibility of agonist-induced changes in the high-conductance open-state configuration

Preparation and thermoluminescent dosimetry features of high sensitivity LiF:Mg,Ce phosphor

NASA Astrophysics Data System (ADS)

Shoushtari, M. K.; Zahedifar, M.; Sadeghi, E.

2018-04-01

Thermoluminescence (TL) kinetics and dosimetry features of newly produced LiF doped with Mg and Ce were investigated. Different contents of Mg (0-1 mol%) and Ce (0-2 mol%) were introduced in host material by melting method. The most TL sensitivity of the fabricated phosphor was obtained at 0.7 and 0.05 mol% concentrations of Mg and Ce impurities, respectively. The optimum pre-irradiation annealing regime of the synthesized LiF-based material was found at 350 °C for 10 min. Kinetic parameters of LiF:Mg,Ce dosimeter were obtained using different methods of computerized glow curve deconvolution (CGCD), initial rise (IR) and isothermal decay (ID). A good conformity are observed between the results obtained from different kinetic analysis methods. Other TL features such as fading, dose response and reusability were also examined.

Synthesis, crystal structures and optical properties of two congruent-melting isotypic diphosphates: LiM{sub 3}P{sub 2}O{sub 7} (M=Na, K)

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

Shi Yunjing; Wang Ying; Graduate University of the Chinese Academy of Sciences, Beijing 100039

2013-01-15

Two new isotypic diphosphates, LiNa{sub 3}P{sub 2}O{sub 7} (1) and LiK{sub 3}P{sub 2}O{sub 7} (2), have been synthesized by conventional solid-state reaction. The single-crystal X-ray structural analyses have shown that they crystallize in the orthorhombic space group C222{sub 1} (No. 20) with the unit cells: a=5.4966(2) A, b=9.1365(4) A, c=12.2764(5) A for compound 1 and a=6.0373(14) A, b=9.339(2) A, c=13.292(3) A for compound 2. The LiM{sub 3}P{sub 2}O{sub 7} (M=Na, K) consist of two-dimensional [LiP{sub 2}O{sub 7}]{sup 3-} layers, which are composed by LiO{sub 4} tetrahedral and diphosphate groups, the Na or K atoms are filled in the interlayers andmore » balance the charge. Second harmonic generation (SHG) on powder samples have been measured using Kurtz and Perry techniques. Thermal analyses, IR spectroscopy, UV-vis-NIR diffuse reflectance spectra, and band structure calculations are performed on the reported compounds. - Graphical Abstract: LiM{sub 3}P{sub 2}O{sub 7} (M=Na, K) consists of a two-dimensional infinite [LiP{sub 2}O{sub 7}]{sup 3-} layer, which is composed by LiO{sub 4} tetrahedra and diphosphate groups. Highlights: Black-Right-Pointing-Pointer LiNa{sub 3}P{sub 2}O{sub 7} and LiK{sub 3}P{sub 2}O{sub 7} are new compounds in the Li{sub 2}O-M{sub 2}O (M=Na, K)-P{sub 2}O{sub 5} systems. Black-Right-Pointing-Pointer Crystal structures of LiNa{sub 3}P{sub 2}O{sub 7} and LiK{sub 3}P{sub 2}O{sub 7} consist of two-dimensional [LiP{sub 2}O{sub 7}]{sup 3-} layers. Black-Right-Pointing-Pointer LiNa{sub 3}P{sub 2}O{sub 7} and LiK{sub 3}P{sub 2}O{sub 7} are congruent melting compounds.« less

K3Na(SO4)2 : Eu nanoparticles for high dose of ionizing radiation

NASA Astrophysics Data System (ADS)

Sahare, P. D.; Ranjan, Ranju; Salah, Numan; Lochab, S. P.

2007-02-01

K3Na(SO4)2 : Eu nanocrystalline powder was synthesized by the chemical co-precipitation method. The x-ray diffraction pattern of the nanomaterials shows a hexagonal structure for its crystals having grain size of ~28 nm. Transmission electron microscopy revealed that the K3Na(SO4)2 : Eu nanoparticles are single crystals with almost a uniform shape and size. Thermoluminescence (TL) was taken after irradiating the samples at various exposures of γ-rays from a 60Co source. A prominent TL glow peak is observed at 423 K along with three small peaks/shoulders at around 382, 460 and 509 K. The observed TL sensitivity of the prepared nanocrystalline powder is around 4 times more than that of LiF : Mg,Ti (TLD-100) phosphor. The 423 K peak of the nanomaterial phosphor eventually shows a near linear response with exposures increasing up to very high values (as high as 70 kGy), where all the other TLD phosphors saturate. This property along with its other desired properties such as high sensitivity, relatively simple glow curve structure and low fading makes the nanocrystalline phosphor a suitable dosimeter to estimate low as well as high exposures of γ-rays. TL analysis using the glow curve deconvolution technique was also done for determining different trapping parameters.

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

PubMed Central

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

A comparative study of the thermoluminescent response to beta irradiation of CVD diamond and LiF dosimeters

NASA Astrophysics Data System (ADS)

Bogani, F.; Borchi, E.; Bruzzi, M.; Leroy, C.; Sciortino, S.

1997-02-01

The thermoluminescent (TL) response of Chemical Vapour Deposited (CVD) diamond films to beta irradiation has been investigated. A numerical curve-fitting procedure, calibrated by means of a set of LiF TLD100 experimental spectra, has been developed to deconvolute the complex structured TL glow curves. The values of the activation energy and of the frequency factor related to each of the TL peaks involved have been determined. The TL response of the CVD diamond films to beta irradiation has been compared with the TL response of a set of LiF TLD100 and TLD700 dosimeters. The results have been discussed and compared in view of an assessment of the efficiency of CVD diamond films in future applications as in vivo dosimeters.

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

NASA Astrophysics Data System (ADS)

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.

PubMed

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

2018-05-09

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.

Calorimetric measurements on Li{sub 4}C{sub 60} and Na{sub 4}C{sub 60}

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

Inaba, Akira; Miyazaki, Yuji; Michałowski, Paweł P.

2015-04-28

We show specific heat data for Na{sub 4}C{sub 60} and Li{sub 4}C{sub 60} in the range 0.4-350 K for samples characterized by Raman spectroscopy and X-ray diffraction. At high temperatures, the two different polymer structures have very similar specific heats both in absolute values and in general trend. The specific heat data are compared with data for undoped polymeric and pristine C{sub 60}. At high temperatures, a difference in specific heat between the intercalated and undoped C{sub 60} polymers of 100 J K{sup −1} mol{sup −1} is observed, in agreement with the Dulong-Petit law. At low temperatures, the specific heatmore » data for Li{sub 4}C{sub 60} and Na{sub 4}C{sub 60} are modified by the stiffening of vibrational and librational molecular motion induced by the polymer bonds. The covalent twin bonds in Li{sub 4}C{sub 60} affect these motions to a somewhat higher degree than the single intermolecular bonds in Na{sub 4}C{sub 60}. Below 1 K, the specific heats of both materials become linear in temperature, as expected from the effective dimensionality of the structure. The contribution to the total specific heat from the inserted metal ions can be well described by Einstein functions with T{sub E} = 386 K for Li{sub 4}C{sub 60} and T{sub E} = 120 K for Na{sub 4}C{sub 60}, but for both materials we also observe a Schottky-type contribution corresponding to a first approximation to a two-level system with ΔE = 9.3 meV for Li{sub 4}C{sub 60} and 3.1 meV for Na{sub 4}C{sub 60}, probably associated with jumps between closely spaced energy levels inside “octahedral-type” ionic sites. Static magnetic fields up to 9 T had very small effects on the specific heat below 10 K.« less

Spontaneous Tl(I)-to-Tl(III) oxidation in dynamic heterobimetallic Hg(II)/Tl(I) porphyrin complexes.

PubMed

Ndoyom, Victoria; Fusaro, Luca; Roisnel, Thierry; Le Gac, Stéphane; Boitrel, Bernard

2016-01-11

Strapped heterobimetallic Hg(II)/Tl(I) porphyrin complexes, with both metal ions bridged by the N-core in a dynamic way, undergo spontaneous Tl(I)-to-Tl(III) oxidation leading to a mono-Tl(III) complex and a mixed valence Tl(I)/Tl(III) bimetallic complex. It provides a new opportunity to tune metal ion translocations in bimetallic porphyrin systems.

Density functional theory studies on the electronic, structural, phonon dynamical and thermo-stability properties of bicarbonates MHCO3, M = Li, Na, K

NASA Astrophysics Data System (ADS)

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

2012-08-01

The structural, electronic, phonon dispersion and thermodynamic properties of MHCO3 (M = 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 =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.

A photoluminescence, thermoluminescence and electron paramagnetic resonance study of EFG grown europium doped lithium fluoride (LiF) crystals

NASA Astrophysics Data System (ADS)

Seth, Pooja; Swati, G.; Haranath, D.; Rao, S. M. D.; Aggarwal, Shruti

2018-07-01

Europium (Eu) doped LiF crystals have been grown by the Edge-defined film fed growth (EFG) technique. The designing and installation of the furnace used for the growth of the crystals have been discussed in detail. In the present study, Eu (Eu2O3) has been doped in LiF in different concentration (0.02-0.2 wt %). X-ray diffractometry (XRD) and Energy Dispersive X-ray (EDX) spectroscopy confirms the incorporation of Eu in LiF. The influence of Eu on LiF has been investigated through photoluminescence (PL), thermoluminescence (TL) and electron paramagnetic resonance (EPR) in as-grown and annealed crystals. PL emission spectra shows the presence of both Eu3+ and Eu2+ form in the as-grown crystals which is confirmed by EPR results. Whereas, in annealed crystals, Eu is present predominantly as Eu2+ form. This suggests that growing crystals at high temperature (∼900 °C) in argon gas atmosphere through EFG technique favours the reduction of Eu3+ → Eu2+. This reduction phenomenon has been explained on the basis of charge compensation model. TL study of the LiF: Eu (0.02-0.2 wt %) crystals has been done after irradiation with Co60 gamma rays. In this study, it has been observed that the TL intensity as well as glow curve structure of LiF: Eu crystals are a strong function of Eu concentration. The maximum TL is observed at Eu concentration of 0.05 wt% at which a well defined glow curve structure with a prominent peak at 185 °C and a small peak at 253 °C. Beyond this concentration (0.05 wt %), TL intensity decreases due to aggregation of defects in the host. The peak at 185 °C in LiF: Eu (0.05 wt %) is certainly due to the presence of Eu2+ associated defects which is also supported by the PL spectra. It has been observed that Eu doping have a key role in creation of more defect levels which lead to the increased number of electron and hole traps. Further, trapping parameters are analysed using glow curve deconvolution method to have an insight study of TL phenomena

Frequency Domain Multiplexing for Use With NaI[Tl] Detectors

NASA Astrophysics Data System (ADS)

Belling, Samuel; Coherent Collaboration

2017-09-01

A process used in many forms of signal communication known as multiplexing is adapted for the purpose of combining signals from NaI[Tl] detectors so that fewer digitizer channels can be used to process the signal information from large experiments within the COHERENT collaboration. Each signal is passed through a ringing circuit to modulate it with a characteristic frequency. Information about the signal can be extracted from its amplitude, frequency, and phase. Simulations in LTSpice show that an operational amplifier circuit with a parallel LRC feedback loop can serve as the modulating circuit. Several such circuits can be constructed and housed compactly in a unit, and fed to an inverting, summing amplifier with tunable gain, such that the signals are carried by one cable. The signals are analyzed based on a Fourier transform after being digitized. The results show that the energy, channel, and time of the original interaction can be recovered by this process. In some cases it is possible through filtering and deconvolution to recover the shape of the original signal. The effort is ongoing, but with the design presented it is possible to multiplex 10 detectors into a single digitizer channel. NSF REU Program at Duke University.

Fluctuation-induced conductivity analyses of Be-doped (Bi0.25Cu0.25Li0.25Tl0.25)Ba2Ca2Cu3O10-δ superconductors in the critical regime and beyond

NASA Astrophysics Data System (ADS)

Khan, Nawazish A.; Qurat-ul-Ain; Firdous, Umber; Shaheryar

2012-02-01

We have successfully synthesized (Bi0.25Cu0.25Li0.25Tl0.25)Ba2Ca2Cu3O10-δ and (Bi0.25Cu0.25Li0.25Tl0.25)Ba2(Ca1.5Be0.5)Cu3O10-δ samples and studied their excess conductivity analyses (fluctuation-induced conductivity) of resistivity data. The main objective of such analyses is to investigate the influence of Be-substitution on the superconductivity parameters at the microscopic level. The width of the 3D-2D Lawrence-Doniach regime is increased with the doping of Be at the Ca sites. The energy required to break apart the Cooper pairs is increased from 0.03 eV to 0.08 eV in Be-doped samples. Using the Ginzburg-Landau number (NG) and GL equations, the thermodynamic critical magnetic field Bc(0), the lower critical field Bc1(0), the upper critical field Bc2(0), the critical current density Jc(0), and penetration depth λp.d are also calculated from these analyses. The values of critical fields [Bc(0) Bc1(0)], Jc(0), and phase relaxation time τϕ are increased whereas the penetration depth λp.d and κ values are suppressed with Be-doping. It is most likely that as a result of the enhancement in the density of the carriers in the (Bi0.25Cu0.25Li0.25Tl0.25)Ba2(Ca1.5Be0.5)Cu3O10-δ sample, this charge density gap is suppressed, which in turn suppresses the pseudo-gap resulting into enhancement of Bc (0), Bc1(0), and Jc(0).

TiO2 Nanostructures as Anode Materials for Li/Na-ion Batteries.

PubMed

Vazquez-Santos, Maria B; Tartaj, Pedro; Morales, Enrique; Amarilla, Jose Manuel

2018-03-14

Here we summarize some results on the use of TiO 2 nanostructures as anode materials for more efficient Li-ion (LIBs) and Na-ion (NIBs) batteries. LIBs are the leader to power portable electronic devices, and represent in the short-term the most adequate technology to power electrical vehicles, while NIBs hold promise for large storage of energy generated from renewable sources. Specifically, TiO 2 an abundant, low cost, chemically stable and environmentally safe oxide represents in LIBs an alternative to graphite for applications in which safety is mandatory. For NIBs, TiO 2 anodes (or more precisely negative electrodes) work at low voltage, assuring acceptable energy density values. Finally, assembling different TiO 2 polymorphs in the form of nanostructures decreases diffusion distances, increases the number of contacts and offering additional sites for Na + storage, helping to improve power efficiency. More specifically, in this contribution we highlighted our work on TiO 2 anatase mesocrystals of colloidal size. These sophisticate materials; showing excellent textural properties, have remarkable electrochemical performance as anodes for Li/Na-ion batteries, with conventional alkyl carbonates electrolytes and safe electrolytes based on ionic liquids. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

First Principles Investigation of the Geometrical and Electrochemical Properties of Na4PLi4P2S6

NASA Astrophysics Data System (ADS)

Rush, Larry E., Jr.; Holzwarth, N. A. W.

First principles simulations are used to examine the structural and physical properties of Na4P2S6 in comparison with its Li4P2S6 analog. Four model structures are considered including the C 2 / m structure recently reported by Kuhn and co-workers from their analysis of single crystals of Na4P2S6, and three structures related to the P63 / mcm structure with P site disorder found in 1982 by Mercier and co-workers from their analysis of single crystals of Li4P2S6. The computational results indicate that both Na4P2S6 and Li4P2S6 have the same disordered ground state structures consistent with the P63 / mcm space group, while the optimized C 2 / m structures have higher energies by 0.1 eV and 0.4 eV per formula unit for Na4P2S6 and Li4P2S6, respectively. Simulations of ion migration suggest that Na4P2S6 may have more favorable ionic conductivity compared to Li4P2S6. Supported by NSF Grant DMR-1105485 and DMR-1507942.

Shape-Coexistence in ^191Tl and ^189Tl.

NASA Astrophysics Data System (ADS)

Reviol, W.; Riedinger, L. L.; Carpenter, M. P.; Fischer, S. M.; Janssens, R. V. F.; Nisius, D.; Moore, E. F.

1997-10-01

The Tl isotopes at A ~ 190 are, like the neighboring Hg and Pb nuclei, recognized for a multiplicity of shapes. These shapes reach from spherical or weakly deformed oblate to well-deformed and superdeformed prolate, as mainly inferred from γ -ray spectroscopic studies. We have previously reported on shape-coexistence phenomena in ^191Tl and ^189Tl(W. Reviol et al., Phys. Scr. T56, 167 (1995), and references therein.). Here, we will focus on new results on the ``normally" deformed states in both nuclei obtained from a recent and an upcoming experiment at GAMMASPHERE. The states in ^191Tl and ^189Tl are populated by the reactions ^159Tb(^36S,4n)^191Tl at E_lab = 165 MeV and ^156Gd(^37Cl,4n)^189Tl at E_lab = 171 MeV, respectively. One of the questions to be addressed is about the main level structure in the positive-parity branch of ^191Tl^2. Whether this structure is oblate-collective in nature, like the [505]9/2^- yrast band, we will try to answer on the basis of the available lifetime data.

Czochralski growth of NaNO3-LiNO3 solid solution single crystals using axial vibrational control technique

NASA Astrophysics Data System (ADS)

Avetissov, Igor; Sadovskiy, Andrei; Belov, Stanislav; Kong Khan, Chan; Mozhevitina, Elena; Sukhanova, Ekaterina; Zharikov, Eugeniy

2014-09-01

T-x diagram of LiNO3-NaNO3 quasi-binary system has been improved using an original technique based on Raman measurements of condense phase. (LiNO3)x(NaNO3)1-x solid solution single crystal has been grown at different regimes of axial vibrational control (AVC) technique. Significant difference in segregation coefficient behavior between AVC-CZ and conventional CZ grown crystals has appeared: with AVC intensity increase the segregation coefficient (SC) raises for light molecular weight elements, SC reduces for medium molecular weight elements, and SC remains practically unchangeable for heavy molecular weight elements. Effect of vibrational intensity on vibron and optical characteristics, microhardness of AVC-CZ (LiNO3)x(NaNO3)1-x solid solution single crystals has been studied. For the AVC-CZ crystals has been observed increases in microhardness as well as in optical transmission up to 10 rel% compare to conventional CZ grown crystals.

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

NASA Astrophysics Data System (ADS)

Zhu, Jiajie; Alshareef, Husam N.; Schwingenschlögl, Udo

2017-07-01

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.

β-Li0.37Na0.63Fe(MoO4)2

PubMed Central

Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed

2014-01-01

The title compound, lithium/sodium iron(III) bis­[ortho­molyb­date(VI)], was obtained by a solid-state reaction. The main structure units are an FeO6 octa­hedron, a distorted MoO6 octa­hedron and an MoO4 tetra­hedron sharing corners. The crystal structure is composed of infinite double MoFeO11 chains along the b-axis direction linked by corner-sharing to MoO4 tetra­hedra so as to form Fe2Mo3O19 ribbons. The cohesion between ribbons via mixed Mo—O—Fe bridges leads to layers arranged parallel to the bc plane. Adjacent layers are linked by corners shared between MoO4 tetra­hedra of one layer and FeO6 octa­hedra of the other layer. The Na+ and Li+ ions partially occupy the same general position, with a site-occupancy ratio of 0.631 (9):0.369 (1). A comparison is made with AFe(MoO4)2 (A = Li, Na, K and Cs) structures. PMID:24764805

(99m)Tc-MDP bone scintigraphy of the hand: comparing the use of novel cadmium zinc telluride (CZT) and routine NaI(Tl) detectors.

PubMed

Koulikov, Victoria; Lerman, Hedva; Kesler, Mikhail; Even-Sapir, Einat

2015-12-01

Cadmium zinc telluride (CZT) solid-state detectors have been recently introduced in the field of nuclear medicine in cardiology and breast imaging. The aim of the current study was to evaluate the performance of the novel detectors (CZT) compared to that of the routine NaI(Tl) in bone scintigraphy. A dual-headed CZT-based camera dedicated originally to breast imaging has been used, and in view of the limited size of the detectors, the hands were chosen as the organ for assessment. This is a clinical study. Fifty-eight consecutive patients (total 116 hands) referred for bone scan for suspected hand pathology gave their informed consent to have two acquisitions, using the routine camera and the CZT-based camera. The latter was divided into full-dose full-acquisition time (FD CZT) and reduced-dose short-acquisition time (RD CZT) on CZT technology, so three image sets were available for analysis. Data analysis included comparing the detection of hot lesions and identification of the metacarpophalangeal, proximal interphalangeal, and distal interphalangeal joints. A total of 69 hot lesions were detected on the CZT image sets; of these, 61 were identified as focal sites of uptake on NaI(Tl) data. On FD CZT data, 385 joints were identified compared to 168 on NaI(Tl) data (p < 0.001). There was no statistically significant difference in delineation of joints between FD and RD CZT data as the latter identified 383 joints. Bone scintigraphy using a CZT-based gamma camera is associated with improved lesion detection and anatomic definition. The superior physical characteristics of this technique raised a potential reduction in administered dose and/or acquisition time without compromising image quality.

Improvement in dehydrogenation of MXH4 where M = Na, Li and X = Al, B confined in CNTs: a DFT investigation

NASA Astrophysics Data System (ADS)

Meenakshi; Agnihotri, Deepak; Jeet, Kiran; Sharma, Hitesh

2016-11-01

Nanoconfinement improves dehydrogenation kinetics of complex metal hydrides. The present paper reports effect of confinement of MXH4, where M = Na, Li and X = Al, B inside carbon nanotubes (CNTs) (n, 0) n = 9-11 chirality and diameter of 7.47 Å, 7.87 Å, 8.73 Å, respectively, using Density Functional calculations. The MXH4 interacts strongly with the surface atoms of CNT (11, 0) and is found to be the smallest stable system for confinement of MXH4 clusters. The Hydrogen release energy (E Hre) of NaAlH4 decreases sharply by 68.3 % , w.r.t. pure NaAlH4 cluster when confined inside CNT(11, 0). Similarly, in CNT (11, 0) E Hre decreases by 38.1 % for LiAlH4, 12.7 % for NaBH4 and 19.1 % for LiBH4. Thus, resulting confinement had a profound effect in improving the energetics of complex metal hydride nanoparticles without catalyst.

CO Oxidation and Subsequent CO 2 Chemisorption on Alkaline Zirconates: Li 2 ZrO 3 and Na 2 ZrO 3

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

Alcántar-Vázquez, Brenda; Duan, Yuhua; Pfeiffer, Heriberto

Here, two different alkaline zirconates (Li 2ZrO 3 and Na 2ZrO 3) were studied as possible bifunctional catalytic-captor materials for CO oxidation and the subsequent CO 2 chemisorption process. Initially, CO oxidation reactions were analyzed in a catalytic reactor coupled to a gas chromatograph, using Li 2ZrO 3 and Na 2ZrO 3, under different O 2 partial flows. We found results clearly showed that Na 2ZrO 3 possesses much better catalytic properties than Li 2ZrO 3. After the CO-O 2 oxidation catalytic analysis, CO2 chemisorption process was analyzed by thermogravimetric analysis, only for the Na 2ZrO 3 ceramic. The resultsmore » confirmed that Na 2ZrO 3 is able to work as a bifunctional material (CO oxidation and subsequent CO 2 chemisorption), although the kinetic CO 2 capture process was not the best one under the physicochemical condition used in this case. For Na 2ZrO 3, the best CO conversions were found between 445 and 580 °C (100%), while Li 2ZrO 3 only showed a 35% of efficiency between 460 and 503 °C. However, in the Na 2ZrO 3 case, at temperatures higher than 580 °C its catalytic activity gradually decreases as a result of CO 2 capture process. Finally, all these experiments were compared and supported with theoretical thermodynamic data.« less

CO Oxidation and Subsequent CO 2 Chemisorption on Alkaline Zirconates: Li 2 ZrO 3 and Na 2 ZrO 3

DOE PAGES

Alcántar-Vázquez, Brenda; Duan, Yuhua; Pfeiffer, Heriberto

2016-08-26

Here, two different alkaline zirconates (Li 2ZrO 3 and Na 2ZrO 3) were studied as possible bifunctional catalytic-captor materials for CO oxidation and the subsequent CO 2 chemisorption process. Initially, CO oxidation reactions were analyzed in a catalytic reactor coupled to a gas chromatograph, using Li 2ZrO 3 and Na 2ZrO 3, under different O 2 partial flows. We found results clearly showed that Na 2ZrO 3 possesses much better catalytic properties than Li 2ZrO 3. After the CO-O 2 oxidation catalytic analysis, CO2 chemisorption process was analyzed by thermogravimetric analysis, only for the Na 2ZrO 3 ceramic. The resultsmore » confirmed that Na 2ZrO 3 is able to work as a bifunctional material (CO oxidation and subsequent CO 2 chemisorption), although the kinetic CO 2 capture process was not the best one under the physicochemical condition used in this case. For Na 2ZrO 3, the best CO conversions were found between 445 and 580 °C (100%), while Li 2ZrO 3 only showed a 35% of efficiency between 460 and 503 °C. However, in the Na 2ZrO 3 case, at temperatures higher than 580 °C its catalytic activity gradually decreases as a result of CO 2 capture process. Finally, all these experiments were compared and supported with theoretical thermodynamic data.« less

Clinical evaluation of pixellated NaI:Tl and continuous LaBr 3:Ce, compact scintillation cameras for breast tumors imaging

NASA Astrophysics Data System (ADS)

Pani, R.; Pellegrini, R.; Betti, M.; De Vincentis, G.; Cinti, M. N.; Bennati, P.; Vittorini, F.; Casali, V.; Mattioli, M.; Orsolini Cencelli, V.; Navarria, F.; Bollini, D.; Moschini, G.; Iurlaro, G.; Montani, L.; de Notaristefani, F.

2007-02-01

The principal limiting factor in the clinical acceptance of scintimammography is certainly its low sensitivity for cancers sized <1 cm, mainly due to the lack of equipment specifically designed for breast imaging. The National Institute of Nuclear Physics (INFN) has been developing a new scintillation camera based on Lanthanum tri-Bromide Cerium-doped crystal (LaBr 3:Ce), that demonstrating superior imaging performances with respect to the dedicated scintillation γ-camera that was previously developed. The proposed detector consists of continuous LaBr 3:Ce scintillator crystal coupled to a Hamamatsu H8500 Flat Panel PMT. One centimeter thick crystal has been chosen to increase crystal detection efficiency. In this paper, we propose a comparison and evaluation between lanthanum γ-camera and a Multi PSPMT camera, NaI(Tl) discrete pixel based, previously developed under "IMI" Italian project for technological transfer of INFN. A phantom study has been developed to test both the cameras before introducing them in clinical trials. High resolution scans produced by LaBr 3:Ce camera showed higher tumor contrast with a detailed imaging of uptake area than pixellated NaI(Tl) dedicated camera. Furthermore, with the lanthanum camera, the Signal-to-Noise Ratio ( SNR) value was increased for a lesion as small as 5 mm, with a consequent strong improvement in detectability.

FADING EFFECT OF LiF:Mg,Ti AND LiF:Mg,Cu,P Ext-Rad AND WHOLE-BODY DETECTORS.

PubMed

Pereira, J; Pereira, M F; Rangel, S; Saraiva, M; Santos, L M; Cardoso, J V; Alves, J G

2016-09-01

Thermoluminescence dosemeters are widely used in individual and environmental monitoring. The aim of this work was to compare the thermal stability of dosemeters of the Ext-Rad and whole-body card types with LiF:Mg,Ti and LiF:Mg,Cu,P detectors stored at different temperatures and periods. The dosemeters were stored at 0°C, room temperature and 40°C for periods that lasted 8, 30, 45, 90 and 120 d. In general, TLD-100H detectors present higher TL signal stability than TLD-100 detectors. The intensity of the signal remained constant for both materials for storage periods at 0°C. At RT the same results was observed for TLD-100H. For TLD-100 detectors, a maximum variation of 22 % was registered for the longest period. At 40°C the TL signal decreased with storage time for both detectors. The TL signal of TLD-100H detectors presented maximum variations of 12 % whereas for TLD-100 detectors, larger variations of 25 % were observed. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

A New Approach for the Determination of Dose Rate and Radioactivity for Detected Gamma Nuclides Using an Environmental Radiation Monitor Based on an NaI(Tl) Detector.

PubMed

Ji, Young-Yong; Kim, Chang-Jong; Lim, Kyo-Sun; Lee, Wanno; Chang, Hyon-Sock; Chung, Kun Ho

2017-10-01

To expand the application of dose rate spectroscopy to the environment, the method using an environmental radiation monitor (ERM) based on a 3' × 3' NaI(Tl) detector was used to perform real-time monitoring of the dose rate and radioactivity for detected gamma nuclides in the ground around an ERM. Full-energy absorption peaks in the energy spectrum for dose rate were first identified to calculate the individual dose rates of Bi, Ac, Tl, and K distributed in the ground through interference correction because of the finite energy resolution of the NaI(Tl) detector used in an ERM. The radioactivity of the four natural radionuclides was then calculated from the in situ calibration factor-that is, the dose rate per unit curie-of the used ERM for the geometry of the ground in infinite half-space, which was theoretically estimated by Monte Carlo simulation. By an intercomparison using a portable HPGe and samples taken from the ground around an ERM, this method to calculate the dose rate and radioactivity of four nuclides using an ERM was experimentally verified and finally applied to remotely monitor them in real-time in the area in which the ERM had been installed.

Glass transition temperature and conductivity in Li2O and Na2O doped borophosphate glasses

NASA Astrophysics Data System (ADS)

Ashwajeet, J. S.; Sankarappa, T.; Ramanna, R.; Sujatha, T.; Awasthi, A. M.

2015-08-01

Two alkali doped Borophosphate glasses in the composition, (B2O3)0.2. (P2O5)0.3. (Na2O)(0.5-x). (Li2O)x, where x = 0.05 to 0.50 were prepared by standard melt quenching method at 1200K. Non-crystalline nature was confirmed by XRD studies. Room temperature density was measured by Archimedes principle. DC conductivity in the temperature range from 300K to 575K has been measured. Samples were DSC studied in the temperature range from 423K to 673K and glass transition temperature was determined. Glass transition temperature passed through minima for Li2O con.2centration between 0.25 and 0.30 mole fractions. Activation energy of conduction has been determined by analyzing temperature variation of conductivity determining Arrhenius law. Conductivity passed through minimum and activation passed through maximum for Li2O content from 0.25 to 0.30 mole fractions. Glass transition temperature passed through minimum for the same range of Li2O content. These results revealed mixed alkali effect taking place in these glasses. It is for the first time borophosphate glasses doped with Li2O and Na2O have been studied for density and dc conductivity and, the mixed alkali effect (MAE) has been observed.

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

PubMed

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.

Electrochemistry of Europium(III) Chloride in 3 LiCl – NaCl, 3 LiCl – 2 KCl, LiCl – RbCl, and 3 LiCl – 2 CsCl Eutectics at Various Temperatures

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

Schroll, Cynthia A.; Chatterjee, Sayandev; Levitskaia, Tatiana G.

Here we report the effect of changing the eutectic melt composition on the electrochemical properties of europium(III) chloride under pyroprocessing conditions. The number of electrons transferred, redox potentials and diffusion coefficients were determined using various electrochemical and spectroelectrochemical techniques in four different eutectic mixtures (3 LiCl - NaCl, 3 LiCl - 2 KCl, 3 LiCl - RbCl, and 3 LiCl - 2 CsCl) while varying the temperature of the melt. It was determined that Eu3+ undergoes a one electron reduction to Eu2+ in each melt at all temperatures evaluated. Within all the melts a positive shift in the redox potentialmore » as well as an increase in the diffusion coefficient for Eu3+ was observed as the temperature increased. Also observed was a positive shift in the redox potential and increase in the diffusion coefficient for Eu3+ as the weighted average of the cationic radii for the melt decreased.« less

Electronic structure ‘engineering’ in the development of materials for Li-ion and Na-ion batteries

NASA Astrophysics Data System (ADS)

Molenda, Janina

2017-03-01

Transition metal oxides with a general formula A x M a O b (A  =  Li, Na, M  =  transition metal) constitute a group of potential electrode materials for a new generation of alkaline batteries. This application is related to the fact that these compounds can reversibly intercalate high amounts of alkaline ions (1 or more moles per mole of M a O b ) already at room temperature, without significant changes in their crystallographic structure. The author of this work basing on her own investigations of A x M a O b (A  =  Li, Na; M  =  3d, 4d, 5d) has demonstrated that the electronic structure of these materials plays an important role in the intercalation process. Electronic model of intercalation process is presented. Author’s studies show that electronic structure ‘engineering’ is an excellent method of controlling properties of the cathode materials for Li-ion and Na-ion batteries, changing their unfavorable character of the discharge curve, from step-like to monotonic, through modification and control density of states function of a cathode material. Keynote talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate.

PubMed

Xiao, Bo; Li, Yan-Chun; Yu, Xue-Fang; Cheng, Jian-Bo

2016-12-28

Recently, a new two-dimensional (2D) carbon allotrope named penta-graphene was theoretically proposed ( Zhang , S. ; et al. Proc. Natl. Acad. Sci. U.S.A. 2015 , 112 , 2372 ) and has been predicted to be the promising candidate for broad applications due to its intriguing properties. In this work, by using first-principles simulation, we have further extended the potential application of penta-graphene as the anode material for a Li/Na-ion battery. Our results show that the theoretical capacity of Li/Na ions on penta-graphene reaches up to 1489 mAh·g -1 , which is much higher than that of most of the previously reported 2D anode materials. Meanwhile, the calculated low open-circuit voltages (from 0.24 to 0.60 V), in combination with the low diffusion barriers (≤0.33 eV) and the high electronic conductivity during the whole Li/Na ions intercalation processes, further show the advantages of penta-graphene as the anode material. Particularly, molecular dynamics simulation (300 K) reveals that Li ion could freely diffuse on the surface of penta-graphene, and thus the ultrafast Li ion diffusivity is expected. Superior performance of penta-graphene is further confirmed by comparing with the other 2D anode materials. The light weight and unique atomic arrangement (with isotropic furrow paths on the surface) of penta-graphene are found to be mainly responsible for the high Li/Na ions storage capacity and fast diffusivity. In this regard, except penta-graphene, many other recently proposed 2D metal-free materials with pentagonal Cairo-tiled structures may be the potential candidates as the Li/Na-ion battery anodes.

Novel Rechargeable M3V2(PO4)3//Zinc (M = Li, Na) Hybrid Aqueous Batteries with Excellent Cycling Performance

PubMed Central

Zhao, H. B.; Hu, C. J.; Cheng, H. W.; Fang, J. H.; Xie, Y. P.; Fang, W. Y.; Doan, T. N. L.; Hoang, T. K. A.; Xu, J. Q.; Chen, P.

2016-01-01

A rechargeable hybrid aqueous battery (ReHAB) containing NASICON-type M3V2(PO4)3 (M = Li, Na) as the cathodes and Zinc metal as the anode, working in Li2SO4-ZnSO4 aqueous electrolyte, has been studied. Both of Li3V2(PO4)3 and Na3V2(PO4)3 cathodes can be reversibly charge/discharge with the initial discharge capacity of 128 mAh g−1 and 96 mAh g−1 at 0.2C, respectively, with high up to 84% of capacity retention ratio after 200 cycles. The electrochemical assisted ex-XRD confirm that Li3V2(PO4)3 and Na3V2(PO4)3 are relative stable in aqueous electrolyte, and Na3V2(PO4)3 showed more complicated electrochemical mechanism due to the co-insertion of Li+ and Na+. The effect of pH of aqueous electrolyte and the dendrite of Zn on the cycling performance of as designed MVP/Zn ReHABs were investigated, and weak acidic aqueous electrolyte with pH around 4.0–4.5 was optimized. The float current test confirmed that the designed batteries are stable in aqueous electrolytes. The MVP//Zn ReHABs could be a potential candidate for future rechargeable aqueous battery due to their high safety, fast dynamic speed and adaptable electrochemical window. Moreover, this hybrid battery broadens the scope of battery material research from single-ion-involving to double-ions -involving rechargeable batteries. PMID:27174224

Novel Rechargeable M3V2(PO4)3//Zinc (M = Li, Na) Hybrid Aqueous Batteries with Excellent Cycling Performance

NASA Astrophysics Data System (ADS)

Zhao, H. B.; Hu, C. J.; Cheng, H. W.; Fang, J. H.; Xie, Y. P.; Fang, W. Y.; Doan, T. N. L.; Hoang, T. K. A.; Xu, J. Q.; Chen, P.

2016-05-01

A rechargeable hybrid aqueous battery (ReHAB) containing NASICON-type M3V2(PO4)3 (M = Li, Na) as the cathodes and Zinc metal as the anode, working in Li2SO4-ZnSO4 aqueous electrolyte, has been studied. Both of Li3V2(PO4)3 and Na3V2(PO4)3 cathodes can be reversibly charge/discharge with the initial discharge capacity of 128 mAh g-1 and 96 mAh g-1 at 0.2C, respectively, with high up to 84% of capacity retention ratio after 200 cycles. The electrochemical assisted ex-XRD confirm that Li3V2(PO4)3 and Na3V2(PO4)3 are relative stable in aqueous electrolyte, and Na3V2(PO4)3 showed more complicated electrochemical mechanism due to the co-insertion of Li+ and Na+. The effect of pH of aqueous electrolyte and the dendrite of Zn on the cycling performance of as designed MVP/Zn ReHABs were investigated, and weak acidic aqueous electrolyte with pH around 4.0-4.5 was optimized. The float current test confirmed that the designed batteries are stable in aqueous electrolytes. The MVP//Zn ReHABs could be a potential candidate for future rechargeable aqueous battery due to their high safety, fast dynamic speed and adaptable electrochemical window. Moreover, this hybrid battery broadens the scope of battery material research from single-ion-involving to double-ions -involving rechargeable batteries.

Effect of (Li,Ce) doping in Aurivillius phase material Na0.25K0.25Bi2.5Nb2O9

NASA Astrophysics Data System (ADS)

Gai, Zhi-Gang; Wang, Jin-Feng; Wang, Chun-Ming

2007-01-01

The effect of (Li,Ce) substitution for A site on the properties of Na0.25K0.25Bi2.5Nb2O9-based ceramics was investigated. The piezoelectric activity of Na0.25K0.25Bi2.5Nb2O9-based ceramics is significantly improved by the modification of lithium and cerium. The Curie temperature (TC) gradually increases from 668to684°C with increasing the (Li,Ce) modification. The piezoelectric coefficient d33 of the [(Na0.5K0.5)Bi]0.44(LiCe)0.03[]0.03Bi2Nb2O9 ceramic was found to be 28pC/N, the highest value among the Na0.25K0.25Bi2.5Nb2O9-based ceramics and also almost 50% higher than the reported d33 values of other bismuth layer-structured ferroelectric systems (˜5-19pC/N). The planar coupling factors kp and kt were found to be 8.0% and 23.0%, together with the high TC (˜670°C) and stable piezoelectric properties, demonstrating that the (Li,Ce) modified Na0.25K0.25Bi2.5Nb2O9-based material a promising candidate for high temperature applications.

NbS2 Nanosheets with M/Se (M = Fe, Co, Ni) Codopants for Li+ and Na+ Storage.

PubMed

Zhang, Jianli; Du, Chengfeng; Dai, Zhengfei; Chen, Wei; Zheng, Yun; Li, Bing; Zong, Yun; Wang, Xin; Zhu, Junwu; Yan, Qingyu

2017-10-24

Transition metal (M = Fe, Co, Ni) and Se codoped two-dimensional uniform NbS 2 (M x Nb 1-x S 2-y Se y ) nanosheets were synthesized via a facile oil-phase synthetic process. The morphology of M x Nb 1-x S 2-y Se y can be adjusted by tuning the amount of metal and Se introduced into NbS 2 . Among them, the optimized Fe 0.3 Nb 0.7 S 1.6 Se 0.4 nanosheets, with lateral sizes of 1-2 μm and approximately 5 nm thick, achieve the best Li-ion and Na-ion storage properties. For example, the Fe 0.3 Nb 0.7 S 1.6 Se 0.4 nanosheets depict excellent rate capabilities with fifth-cycle specific capacities of 461.3 mAh g -1 at 10 A g -1 for Li storage and 136 mAh g -1 at 5 A g -1 for Na storage. More significantly, ultralong cyclic stabilities were achieved with reversible specific capacities of 444 mAh g -1 at 5 A g -1 during the 3000th cycle for Li storage and 250 mAh g -1 at 1 A g -1 during the 750th cycle for Na storage. Post-treatment high-resolution transmission electron microscopy was studied to prove that the reversible Li-ion storage in NbS 2 was based on a conversion reaction mechanism.

[delta] precipitation in an Al-Li-Cu-Mg-Zr alloy

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

Prasad, K.S.; Mukhopadhyay, A.K.; Gokhale, A.A.

1994-05-15

AlLi based [delta] phase has an NaTl structure (i.e., a diamond cubic) with a = 0.637nm and is an equilibrium phase in the binary Al-Li system. In heat treated binary Al-Li alloys of appropriate compositions, [delta] phase can format grain boundaries as well as within the grains. In commercially heat treated Al-Li-Cu alloys of 2090 specification, the grain boundary precipitate [delta] of the binary Al-Li system is replaced by a combination of T[sub 2](Al[sub 6]CuLi[sub 3]), R(Al[sub 5]CuLi[sub 3]) and T[sub 1](Al[sub 2]CuLi) phases. In similarly treated Al-Li-Cu-Mg alloys of 8090 specification, the copper rich T[sub 2] phase, present inmore » the form of Al[sub 6]CuLi[sub 3[minus]x]Mg[sub x], is known to be the major coarse g.b. precipitate. The presence of an Al-Li-Cu-Mg based C phase at the grain boundaries of the commercially heat treated 8090 alloys has also been documented. No detailed study has yet been carried out to verify whether the [delta] phase can be present at the grain boundaries of the commercially heat treated 8090 alloys. Given the correlations between the g.b. phase morphology, g.b. phase chemistry, and the stress corrosion cracking resistance of these alloys, it is important that the g.b. precipitates be examined and identified. In this paper results using TEM are presented to show that the [delta] phase can be present in varying amounts at the grain boundaries in an 8090 alloy when heat treated in the temperature range of 170--350 C. An examination is also made of the [delta] precipitation within the grain to establish that the T[sub 2]/[alpha]-Al interface is the dominant nucleation site for the noncoherent [delta] phase.« less

DFT STUDY OF HYDROGEN STORAGE ON Li- AND Na-DOPED C59B HETEROFULLERENE

NASA Astrophysics Data System (ADS)

Zahedi, Ehsan; Mozaffari, Majid

2014-05-01

Effect of light alkali metal (Li and Na) decorated on the C59B heterofullerene for hydrogen storage is considered using DFT-MPW1PW91 method. Results show that Li and Na atoms strongly prefer to adsorb on top of five-member and six-member ring where a carbon atom is replaced by a boron atom. Significant charge transfer from the alkali metal to the C59B compensates for the electron deficiency of C59B and makes the latter aromatic in nature. Corrected binding energies of hydrogen molecule on the alkali-doped C59B using counterpoise method, structural properties and NBO analysis indicate that first hydrogen molecule is adsorbed physically and does not support minimal conditions of DOE requirement. Finally, positive values of binding energies for the adsorption of a second hydrogen molecule show that alkali doped C59B are capable of storing a maximum of one hydrogen molecule.

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

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

Zhang, Huijun; Ren, Jiadong, E-mail: jdren@ysu.edu.cn; Wu, Lailei

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 electronicmore » 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}.« less

Structure determination in 55-atom Li-Na and Na-K nanoalloys.

PubMed

Aguado, Andrés; López, José M

2010-09-07

The structure of 55-atom Li-Na and Na-K nanoalloys is determined through combined empirical potential (EP) and density functional theory (DFT) calculations. The potential energy surface generated by the EP model is extensively sampled by using the basin hopping technique, and a wide diversity of structural motifs is reoptimized at the DFT level. A composition comparison technique is applied at the DFT level in order to make a final refinement of the global minimum structures. For dilute concentrations of one of the alkali atoms, the structure of the pure metal cluster, namely, a perfect Mackay icosahedron, remains stable, with the minority component atoms entering the host cluster as substitutional impurities. At intermediate concentrations, the nanoalloys adopt instead a core-shell polyicosahedral (p-Ih) packing, where the element with smaller atomic size and larger cohesive energy segregates to the cluster core. The p-Ih structures show a marked prolate deformation, in agreement with the predictions of jelliumlike models. The electronic preference for a prolate cluster shape, which is frustrated in the 55-atom pure clusters due to the icosahedral geometrical shell closing, is therefore realized only in the 55-atom nanoalloys. An analysis of the electronic densities of states suggests that photoelectron spectroscopy would be a sufficiently sensitive technique to assess the structures of nanoalloys with fixed size and varying compositions.

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

NASA Astrophysics Data System (ADS)

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 .

Studies of Radiation-Induced Defects in Li2SiO3:Sm Phosphor Material

NASA Astrophysics Data System (ADS)

Singh, N.; Singh, Vijay; Watanabe, S.; Gundu Rao, T. K.; Chubaci, J. F. D.; Cano, N. F.; Pathak, M. S.; Singh, Pramod K.; Dhoble, S. J.

2017-01-01

Li2SiO3:Sm was synthesized by the solution combustion method. Powder x-ray diffraction technique was used to find the phase formation. Li2SiO3:Sm exhibits thermoluminescence (TL) peaks at approximately 140°C, 155°C, 190°C, 250°C, and 405°C. Three defect centers contribute to the observed electron spin resonance spectrum from the gamma irradiated phosphor. Center I with principal g-values g || = 2.0206 and g ⊥ = 2.0028 is identified as an O2 - ion while center II, with an isotropic g-factor 2.0039, is assigned to an F +-type center. Center III is assigned to a Ti3+ center. The Ti3+ center is related to the 250°C TL peak while the O2 - ion also correlates with the main TL peak at 250°C. An additional defect center is observed during thermal annealing experiments, and the center (assigned to F + center) seems to originate from an F center. The F center appears to be associated with the high temperature TL peak in a Li2SiO3:Sm phosphor. The luminescence spectrum reveals the dominant emission peaks at 605 (4G5/2 → 6H7/2) nm under the excitation wavelength of 402 nm.

Ultramicroporous Carbon through an Activation-Free Approach for Li-S and Na-S Batteries in Carbonate-Based Electrolyte.

PubMed

Hu, Lei; Lu, Yue; Zhang, Tianwen; Huang, Tao; Zhu, Yongchun; Qian, Yitai

2017-04-26

We report an activation-free approach for fabricating ultramicroporous carbon as an accommodation of sulfur molecules for Li-S and Na-S batteries applications in carbonate-based electrolyte. Because of the high specific surface area of 967 m 2 g -1 , as well as 51.8% of the pore volume is contributed by ultramicropore with pore size less than 0.7 nm, sulfur cathode exhibits superior electrochemical behavior in carbonate-based electrolyte with a capacity of 507.9 mA h g -1 after 500 cycles at 2 C in Li-S batteries and 392 mA h g -1 after 200 cycles at 1 C in Na-S batteries, respectively.

A comparative study of graphite electrodes using the co-intercalation phenomenon for rechargeable Li, Na and K batteries.

PubMed

Kim, Haegyeom; Yoon, Gabin; Lim, Kyungmi; Kang, Kisuk

2016-10-18

Here, we demonstrate that graphite can serve as a versatile electrode for various rechargeable battery types by reversibly accommodating solvated alkali ions (such as K, Na, and Li) through co-intercalation in its galleries. The co-intercalation of alkali ions is observed to occur via staging reactions. Notably, their insertion behaviors, including their specific capacity, are remarkably similar regardless of the alkali ion species despite the different solubility limits of K, Na, and Li ions in graphite. Nevertheless, the insertion potentials of the solvated alkali ions differ from each other and are observed to be correlated with the interlayer distance in the intercalated graphite gallery.

Pseudocapacitance of TiO2-x /CNT Anodes for High-Performance Quasi-Solid-State Li-Ion and Na-Ion Capacitors.

PubMed

Que, Lan-Fang; Yu, Fu-Da; Wang, Zhen-Bo; Gu, Da-Ming

2018-04-01

It is challenging for flexible solid-state hybrid capacitors to achieve high-energy-high-power densities in both Li-ion and Na-ion systems, and the kinetics discrepancy between the sluggish faradaic anode and the rapid capacitive cathode is the most critical issue needs to be addressed. To improve Li-ion/Na-ion diffusion kinetics, flexible oxygen-deficient TiO 2- x /CNT composite film with ultrafast electron/ion transport network is constructed as self-supported and light-weight anode for a quasi-solid-state hybrid capacitor. It is found that the designed porous yolk-shell structure endows large surface area and provides short diffusion length, the oxygen-deficient composite film can improve electrical conductivity, and enhance ion diffusion kinetic by introducing intercalation pseudocapacitance, therefore resulting in advance electrochemical properties. It exhibits high capacity, excellent rate performance, and long cycle life when utilized as self-supported anodes for Li-ion and Na-ion batteries. When assembled with activated carbon/carbon nanotube (AC/CNT) flexible cathode, using ion conducting gel polymer as the electrolyte, high energy densities of 104 and 109 Wh kg -1 are achieved at 250 W kg -1 in quasi-solid-state Li-ion and Na-ion capacitors (LICs and SICs), respectively. Still, energy densities of 32 and 36 Wh kg -1 can be maintained at high power densities of 5000 W kg -1 in LICs and SICs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Li+, Na+ and K+ co-doping effects on scintillation properties of Ce:Gd3Ga3Al2O12 single crystals

NASA Astrophysics Data System (ADS)

Yoshino, Masao; Kamada, Kei; Kochurikhin, Vladimir V.; Ivanov, Mikhail; Nikl, Martin; Okumura, Satoshi; Yamamoto, Seiichi; Yeom, Jung Yeol; Shoji, Yasuhiro; Kurosawa, Shunsuke; Yokota, Yuui; Ohashi, Yuji; Yoshikawa, Akira

2018-06-01

Ce0.5%: Ce:Gd3Ga3Al2O12(GGAG) single crystals co-doped with 500at.ppm Li+, Na+ and K+ were grown by using the micro-pulling down method. The smooth Ce4+ charge transfer absorption below 350 nm and decay time acceleration were observed in Li co-doped sample. Na+ and K+ co-doping did not show a large effect on the acceleration of decay time compared with Li co-doping. Ce0.5%:GGAG single crystals co-doped with 500 at.ppm Li+ were also grown by the Czochralski method. Optical, scintillation properties and timing performance were evaluated to investigate the effect of univalent alkali metal ions co-doping on Ce:GGAG scintillators. The scintillation decay curves were accelerated by Li co-doping: the decay time was significantly accelerated to 54.8 ns (47%) for the faster component and 158 ns (53%) for the slower component. The light output was 94% of the non co-doped Ce:GGAG standard. The coincidence time resolution was improved to 258 ps by Li co-doping.

Thermoluminescence kinetic features of Lithium Iodide (LiI) single crystal grown by vertical Bridgman technique

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Kim, H. J.; Kim, Sunghwan; Khan, Sajid

2017-08-01

Single crystal of pure Lithium Iodide (LiI) has been grown from melt by using the vertical Bridgman technique. Thermoluminescence (TL) Measurements were carried out at 1 K/s following X-ray irradiation. The TL glow curve consists of a dominant peak at (peak-maximum Tm) 393 K and one low temperature peak of weaker intensity at 343 K. The order of kinetics (b), activation energy (E), and the frequency factor (S) for a prominent TL glow peak observed around 393 K for LiI crystals are reported for the first time. The peak shape analysis of the glow peak indicates the kinetics to be of the first order. The value of E is calculated using various standard methods such as initial rise (IR), whole glow peak (WGP), peak shape (PS), computerized glow curve deconvolution (CGCD) and Variable Heating rate (VHR) methods. An average value of 1.06 eV is obtained in this case. In order to validate the obtained parameters, numerically integrated TL glow curve has been generated using experimentally determined kinetic parameters. The effective atomic number (Zeff) for this material was determined and found to be 52. X-ray induced emission spectra of pure LiI single crystal are studied at room temperature and it is found that the sample exhibit sharp emission at 457 nm and broad emission at 650 nm.

Synthetic control of manganese birnessite: Impact of crystallite size on Li, Na, and Mg based electrochemistry

DOE PAGES

Yin, Jiefu; Takeuchi, Esther S.; Takeuchi, Kenneth J.; ...

2016-08-12

We demonstrated the synthesis and characterization of Mg-birnessite (Mg xMnO 2) with different crystallite sizes, prepared though low temperature precipitation and ion exchange. The influence of crystallite size on electrochemical performance of Mg-birnessite was studied for the first time, where material with smaller crystallite size was demonstrated to have enhanced capacity and rate capability in Li ion, Na ion, and Mg ion based electrolytes. Cation diffusion using GITT type testing demonstrated the ion diffusion coefficient of Mg 2+ was ~10× lower compared with Li + and Na +. This work illustrates that tuning of inorganic materials properties can lead tomore » significant enhancement of electrochemical performance in lithium, sodium as well as magnesium based batteries for materials such as Mg-birnessite and provides a deliberate approach to improve electrochemical performance.« less

New molten salt systems for high-temperature molten salt batteries: LiF-LiCl-LiBr-based quaternary systems

NASA Astrophysics Data System (ADS)

Fujiwara, Syozo; Inaba, Minoru; Tasaka, Akimasa

To develop novel multi-component molten salt systems more effectively, we developed a simulative technique using the CALPHAD (Calculation of Phase Diagram and Thermodynamics) method to estimate the ionic conductivity and the melting point. The validity of this new simulative technique was confirmed by comparing the simulated ionic conductivities and melting points of typical high-temperature molten salts, such as LiF-LiCl-LiBr, LiF-LiBr-KBr, LiCl-LiBr-KBr, and LiCl-LiBr-LiI, with those reported data in the literature or experimentally obtained. This simulative technique was used to develop new quaternary molten salt systems for use as electrolytes in high-temperature molten salt batteries (called thermal batteries). The targets of the ionic conductivity and the melting point were set at 2.0 S cm -1 and higher at 500 °C, and in the range of 350-430 °C, respectively, to replace the LiCl-KCl system (1.85 S cm -1 at 500 °C) within the conventional design of the heat generation system for thermal batteries. Using the simulative method, six kinds of novel quaternary systems, LiF-LiCl-LiBr-MX (M = Na and K; X = F, Cl, and Br), which contain neither environmentally instable anions such as iodides nor expensive cations such as Rb + and Cs +, were proposed. Experimental results showed that the LiF-LiCl-LiBr-0.10NaX (X = Cl and Br) and LiF-LiCl-LiBr-0.10KX (X = F, Cl, and Br) systems meet our targets of both the ionic conductivity and the melting point.

Atomic masses of {sup 6}Li,{sup 23}Na,{sup 39,41}K,{sup 85,87}Rb, and {sup 133}Cs

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

Mount, Brianna J.; Redshaw, Matthew; Myers, Edmund G.

2010-10-15

The atomic masses of the alkali-metal isotopes {sup 6}Li,{sup 23}Na,{sup 39,41}K,{sup 85,87}Rb, and {sup 133}Cs have been obtained from measurements of cyclotron frequency ratios of pairs of ions simultaneously trapped in a Penning trap. The results, with one standard deviation uncertainty, are: M({sup 6}Li)=6.015 122 887 4(16)u,M({sup 23}Na)=22.989769 282 8(26)u,M({sup 39}K)=38.963 706 485 6(52)u,M({sup 41}K)=40.961 825 257 4(48)u,M({sup 85}Rb)=84.911 789739(9)u,M({sup 87}Rb)=86.909 180 535(10)u, and M({sup 133}Cs)=132.905 451 963(13)u. Our mass of {sup 6}Li yields an improved neutron separation energy for {sup 7}Li of 7251.1014(45) keV.

Doping Li and K into Na2ZrO3 Sorbent to Improve Its CO2 Capture Capability

NASA Astrophysics Data System (ADS)

Duan, Yuhua

Carbon dioxide is one of the major combustion products which once released into the air can contribute to global climate change. Solid sorbents have been reported in several previous studies to be promising candidates for CO2 sorbent applications due to their high CO2 absorption capacities at moderate working temperatures. However, at a given CO2 pressure, the turnover temperature (Tt) of an individual solid capture CO2 reaction is fixed and may be outside the operating temperature range (ΔTo) for a particularly capture technology. In order to shift such Tt for a solid into the range of ΔTo, its corresponding thermodynamic property must be changed by changing its structure by reacting (mixing) with other materials or doping with other elements. As an example, by combining thermodynamic database searching with ab initio thermodynamics calculations, in this work, we explored the Li- and K-doping effects on the Tt shifts of Na2ZrO3 at different doping levels. The obtained results showed that compared to pure Na2ZrO3, the Li- and K-doped mixtures Na2-αMαZrO3 (M =Li, K) have lower Tt and higher CO2 capture capacities.

Amorphous MoS3 as the sulfur-equivalent cathode material for room-temperature Li-S and Na-S batteries.

PubMed

Ye, Hualin; Ma, Lu; Zhou, Yu; Wang, Lu; Han, Na; Zhao, Feipeng; Deng, Jun; Wu, Tianpin; Li, Yanguang; Lu, Jun

2017-12-12

Many problems associated with Li-S and Na-S batteries essentially root in the generation of their soluble polysulfide intermediates. While conventional wisdom mainly focuses on trapping polysulfides at the cathode using various functional materials, few strategies are available at present to fully resolve or circumvent this long-standing issue. In this study, we propose the concept of sulfur-equivalent cathode materials, and demonstrate the great potential of amorphous MoS 3 as such a material for room-temperature Li-S and Na-S batteries. In Li-S batteries, MoS 3 exhibits sulfur-like behavior with large reversible specific capacity, excellent cycle life, and the possibility to achieve high areal capacity. Most remarkably, it is also fully cyclable in the carbonate electrolyte under a relatively high temperature of 55 °C. MoS 3 can also be used as the cathode material of even more challenging Na-S batteries to enable decent capacity and good cycle life. Operando X-ray absorption spectroscopy (XAS) experiments are carried out to track the structural evolution of MoS 3 It largely preserves its chain-like structure during repetitive battery cycling without generating any free polysulfide intermediates.

Electronic Structure, Phonon Dynamical Properties, and CO 2 Capture Capability of Na 2 - x M x Zr O 3 ( M = Li ,K): Density-Functional Calculations and Experimental Validations

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

Duan, Yuhua; Lekse, Jonathan; Wang, Xianfeng

2015-04-22

The electronic structural and phonon properties of Na 2-αM αZrO 3 (M ¼ Li,K, α = ¼ 0.0,0.5,1.0,1.5,2.0) are investigated by first-principles density-functional theory and phonon dynamics. The thermodynamic properties of CO 2 absorption and desorption in these materials are also analyzed. With increasing doping level α, the binding energies of Na 2-αLi αZrO 3 are increased while the binding energies of Na 2-α K αZrO 3 are decreased to destabilize the structures. The calculated band structures and density of states also show that, at the same doping level, the doping sites play a significant role in the electronic properties.more » The phonon dispersion results show that few soft modes are found in several doped configurations, which indicates that these structures are less stable than other configurations with different doping levels. From the calculated relationships among the chemical-potential change, the CO 2 pressure, and the temperature of the CO 2 capture reactions by Na 2-αM αZrO 3, and from thermogravimetric-analysis experimental measurements, the Li- and K-doped mixtures Na 2-αM αZrO 3 have lower turnover temperatures (T t) and higher CO 2 capture capacities, compared to pure Na 2ZrO 3. The Li-doped systems have a larger T t decrease than the K-doped systems. When increasing the Li-doping level α, the T t of the corresponding mixture Na 2-αLi αZrO 3 decreases further to a low-temperature range. However, in the case of K-doped systems Na 2-αK αZrO 3, although doping K into Na 2ZrO 3 initially shifts its T t to lower temperatures, further increases of the K-doping level α causes T t to increase. Therefore, doping Li into Na 2ZrO 3 has a larger influence on its CO 2 capture performance than the K-doped Na 2ZrO 3. Compared with pure solidsM 2ZrO 3, after doping with other elements, these doped systems’ CO 2 capture performances are improved.« less

Neutron radiative capture methods for surface elemental analysis

USGS Publications Warehouse

Trombka, J.I.; Senftle, F.; Schmadebeck, R.

1970-01-01

Both an accelerator and a 252Cf neutron source have been used to induce characteristic gamma radiation from extended soil samples. To demonstrate the method, measurements of the neutron-induced radiative capture and activation gamma rays have been made with both Ge(Li) and NaI(Tl) detectors, Because of the possible application to space flight geochemical analysis, it is believed that NaI(Tl) detectors must be used. Analytical procedures have been developed to obtain both qualitative and semiquantitative results from an interpretation of the measured NaI(Tl) pulse-height spectrum. Experiment results and the analytic procedure are presented. ?? 1970.

TL-OSL study of Li3PO4: Mg, Cu phosphor

NASA Astrophysics Data System (ADS)

Rahangdale, S. R.; Wankhede, S. P.; Dhabekar, B. S.; Palikundwar, U. A.; Moharil, S. V.

2015-08-01

In the present work, we report the thermoluminescence and optically stimulated luminescence properties of Mg and Cu doped Li3PO4 phosphor. The phosphor was synthesized by precipitation method. The thermoluminescence dosimetric peak temperature for the phosphor varies with concentrations of Mg and Cu. Li3PO4 shows good response to 470nm optical stimulation. The OSL sensitivity of the phosphor is approximately 12 times than that of standard Lithium magnesium phosphate. This study may help to develop this material for the application in real time dosimetry using optically stimulated luminescence.

Structure and Differentiated Electrical Characteristics of M1/2La1/2Cu3Ti4O12 (M = Li, Na, K) Ceramics Prepared by Sol-Gel Method

NASA Astrophysics Data System (ADS)

Liu, Zhanqing; Yang, Zupei

2017-10-01

New M1/2La1/2Cu3Ti4O12 (M = Li, Na, K) ceramics based on partial substitution of Li+, Na+, and K+ for La3+ in La2/3Cu3Ti4O12 (LCTO) have been prepared by a sol-gel method, and the effects of Li+, Na+, and K+ on the microstructure and electrical properties investigated in detail, revealing different results depending on the substituent. The cell parameter increased with increasing radius of the substituent ion (Li+, Na+, K+). Li1/2La1/2Cu3Ti4O12 (LLCTO) ceramic showed better frequency and temperature stability, but the dielectric constant decreased and the third abnormal dielectric peak disappeared from the dielectric temperature spectrum. Na1/2La1/2Cu3Ti4O12 (NLCTO) ceramic exhibited higher dielectric constant and better frequency and temperature stability, and displayed the second dielectric relaxation in electric modulus plots. The performance of K1/2La1/2Cu3Ti4O12 (KLCTO) ceramic was deteriorated. These different microstructures and electrical properties may be due to the effect of different defect structures generated in the ceramic as well as grain size. This work represents the first analysis and comparison of these remarkable differences in the electrical behavior of ceramics obtained by partial substitution of Li+, Na+, and K+ for La3+ in LCTO.

Neutron Capture Cross Sections of the s-Process Branching Points 147Pm, 171Tm, and 204Tl

NASA Astrophysics Data System (ADS)

Guerrero, Carlos; Domingo-Pardo, Cesar; Lerendegui-Marco, Jorge; Casanovas, Adria; Cortes-Giraldo, Miguel A.; Dressler, Rugard; Halfon, Shlomi; Heinitz, Stephan; Kivel, Niko; Köster, Ulli; Paul, Michael; Quesada-Molina, Jose Manuel; Schumann, Dorothea; Tarifeño-Saldivia, Ariel; Tessler, Moshe; Weissman, Leo

The neutron capture cross section of several key unstable isotopes acting as branching points in the s-process are crucial for stellar nucleosynthesis studies, but they are very challenging to measure due to the difficult production of sufficient sample material, the high activity of the resulting samples, and the actual (n, γ) measurement, for which high neutron fluxes and effective background rejection capabilities are required. As part of a new program to measure some of these important branching points, radioactive targets of 147Pm, 171Tm, and 204Tl have been produced by irradiation of stable isotopes (146Nd, 170Er, and 203Tl) at the Institut Laue-Langevin (ILL) high flux reactor. After breeding in the reactor and a certain cooling period, the resulting mixed 204Tl/203Tl sample was used directly while 147Pm and 171Tm were radiochemically separated in non-carrier-added quality at the Paul Scherrer Institut (PSI), then prepared as targets. A set of theses samples has been used for time-of-flight measurements at the CERN n_TOF facility using the 19 and 185 m beam lines, during 2014 and 2015. The capture cascades were detected with a set of four C6D6 scintillators, allowing to observe the associated neutron capture resonances. The results presented in this work are the first ever determination of the resonance capture cross sections of 147Pm, 171Tm, and 204Tl. Activation experiments on the same 147Pm and 171Tm targets with a high-intensity quasi-Maxwellian flux of neutrons have been performed using the SARAF accelerator and the Liquid-Lithium Target (LiLiT) in order to extract the corresponding Maxwellian Average Cross Section (MACS). The experimental setups are here described together with the first, preliminary results of the n_TOF measurement.

Phase diagrams of the sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S of the ternary system As-Tl-S

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

Vorob'ev, Yu.I.; Velikova, N.G.; Kirilenko, V.V.

1987-12-01

Using DTA and XPA methods, microstructural investigations, and microhardness measurements, phase diagrams of the quasibinary sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S, are characterized by five ternary compounds Tl/sub 3/As/sub 5/S/sub 10/, Tl/sub 9/As/sub 5/S/sub 15/, Tl/sub 9/As/sub 3/S/sub 13/, Tl/sub 3/AsS/sub 6/, and Tl/sub 8/As/sub 2/S/sub 9/, which decompose by peritectic reactions at 198, 307, 408, 362, and 318/degree/C, respectively. Interplanar spacings and line intensities are given for the detected compounds. Glass formation is considered in the Tl-As-S system.

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

NASA Astrophysics Data System (ADS)

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.

A Comparative Study of the Corrosion Behavior of Three Stainless Steels in an Eutectic (Li,Na,K)2CO3 Melt with and without (Na,K)Cl Additives at 973K in Air

NASA Astrophysics Data System (ADS)

Zeng, C. L.; Liu, Y.

2011-04-01

The ternary carbonate eutectic mixture of Li2CO3, K2CO3 and Na2CO3 as a heat transfer and storage medium has excellent thermophysical properties, but with high viscidity as compared with some other inorganic salts such as chlorides and nitrates. The addition of chlorides or fluorides to molten carbonates may improve their fluidity, but possibly making the melt become more corrosive. In this study, the corrosion behavior of type 304, 310 and 316 stainless steels in an eutectic (Li,Na,K)2CO3 melt with and without an eutectic mixture of NaCl and KCl at 973K in air have been examined. The experimental results indicated that 310 steel shows a much better corrosion resistance in molten carbonates than both 304 and 316 steels, due to the formation of a continuous LiCrO2 scale. The addition of chlorides to carbonates melt accelerated the corrosion of the steels, especially 310 steel, producing scales with more porosity.

Preparation and Use of Alkali Metals (Li and Na) in Alumina and Silica Gel as Reagents in Organic Syntheses

NASA Astrophysics Data System (ADS)

Jalloh, Fatmata

This work describes the development of alkali metals (Li and Na) encapsulated in silica and alumina gel (SG and AG), and their applications in organic syntheses. The methods elucidated involved the thermal incorporation of these metals into the pores of SG and AG, serving as solid-state reagents. The encapsulation method/approach addresses the problems associated with the high reactivity of these metals that limit their synthetic utility in research laboratories, pharmaceutical, and manufacturing industries. These problems include their sensitivity to air and moisture, pyrophoricity, difficulty in handling, non-commercial availability, and instability of some of the organoalkali metals reagents. Herein, we describe the developments to synthesize alkali metal precursor (Li-AG) in solid form that offer safer organolithium reagents. This precursor reduces or eliminates the danger associated with the traditional handling of organolithium reagents stored in flammable organic solvents. The use of Li-AG to prepare and deliver organolithium reagents from organic halides and ethers, as needed especially for those that are commercially not available is put forward. In addition, exploration of additional applications of Na-SG and Na-AG reagents in the demethoxylation of Weinreb amides to secondary amines, and Bouveault-Blanc type reduction of amides to amines are described.

Electronic structure and low temperature magnetoresistance of polycrystalline TlMQ2 (M = Sc, Bi, Q = Se, Te)

NASA Astrophysics Data System (ADS)

Aswathy, Vijayakumar Sajitha; Varma, Manoj Raama; Sankar, Cheriyedath Raj

2018-05-01

Thallium based ternary chalcogenide TlBiSe2 having α-NaFeO2 structure type is a candidate of 3D topological insulator family with very large positive linear magnetoresistance. Herein, we report the magnetoresistance studies along with the electronic structure of TlScQ2 (Q = Se, Te) system of the same structure type. Our calculations predict selenide to be a narrow indirect band-gap semiconductor whereas telluride is metallic with intriguing band dispersion characteristics. We observed huge positive MR for the polycrystalline TlBiSe2 and comparatively low MR for TlScQ2 which limits their chance to possess nontrivial surface states.

Aging effects in bulk and fiber TlBr-TlI

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

Wysocki, J.A.; Wilson, R.G.; Standlee, A.G.

1988-05-01

A study of optical aging in bulk and extruded fibers of thallium bromo-iodide (TlBr-TlI) is presented. A variety of techniques including secondary ion mass spectrometry (SIMS), powder neutron and x-ray diffraction, infrared spectroscopy, and electron paramagnetic resonance (EPR) spectroscopy are used to probe the chemical and structural properties of both pristine and aged material. High concentration levels of a hydrogen bearing impurity have been detected by SIMS and neutron scattering in aged TlBr-TlI, and have been shown to be localized in the surface layers of fibers as well as bulk samples. We present EPR evidence which indicates that the hydrogenmore » bearing impurity is water.« less

Dependence of Na+ pump current on external monovalent cations and membrane potential in rabbit cardiac Purkinje cells.

PubMed Central

Bielen, F V; Glitsch, H G; Verdonck, F

1991-01-01

1. The effect of membrane potential and various extracellular monovalent cations on the Na+ pump current (Ip) was studied on isolated, single Purkinje cells of the rabbit heart by means of whole-cell recording. 2. Ip was identified as current activated by external K+ or its congeners NH4+ and Tl+. The current was blocked by dihydroouabain (1-5 x 10(-4) M) over the whole range of membrane potentials tested. 3. In Na(+)-containing solution half-maximum Ip activation (K0.5) occurred at 0.4 mM-Tl+, 1.9 mM-K+ and 5.7 mM-NH4+ (holding potential, -20 mV). 4. The pump current (Ip)-voltage (V) relationship of the cells in Na(+)-containing media with K+ or its congeners at the tested concentrations greater than K0.5 displayed a steep positive slope at negative membrane potentials between -120 and -20 mV. Little voltage dependence of Ip was observed at more positive potentials up to +40 mV. At even more positive potentials Ip measured at 2 and 5.4 mM-K+ decreased. 5. Lowering the concentration of K+ or its congeners below the K0.5 value in Na(+)-containing solution induced a region of negative slope of the Ip-V curve at membrane potentials positive to -20 mV. 6. The shape of the Ip-V relationship remained unchanged when the K+ concentration (5.4 mM) of the Na(+)-containing medium was replaced by NH4+ or Tl+ concentrations of similar potency to activate Ip (20 mM-NH4+ or 2 mM-Tl+). 7. In Na(+)-free, choline-containing solution half-maximum Ip activation occurred at 0.13 mM-K+ (holding potential, -20 mV). 8. At negative membrane potentials the positive slope of the Ip-V curve was flatter in Na(+)-free than in Na(+)-containing media. A reduced voltage dependence of Ip persisted, regardless of whether choline ions or Li+ were used as a Na+ substitute. 9. Lowering the K+ concentration of the Na(+)-free, choline-containing solution to 0.05 mM evoked an extended region of negative slope in the Ip-V relationship at membrane potentials between -40 and +60 mV. 10. It is concluded that

Neutron Fading Characteristics of Copper Doped Lithium Fluoride (LiF: MCP) Thermoluminescent Dosimeters (TLDs)

DTIC Science & Technology

2008-05-21

Albedo Dosimetry TLDs that are used for neutron or neutron-photon personnel dosimetry are albedo dosimeters. The word albedo simply means the proportion... dosimetry . When LiF: MCP is exposed to thermal neutron irradiation, there is no obvious change in the glow curve shape. In the case of TLD -100, the...LiF: MCP undergoes compared to TLD -100. Therefore, LET results in significant variations in TL output for LiF: MCP. Limitations of Albedo Dosimetry

Thermodynamic assessment of the LiF-NaF-BeF2-ThF4-UF4 system

NASA Astrophysics Data System (ADS)

Capelli, E.; Beneš, O.; Konings, R. J. M.

2014-06-01

The present study describes the full thermodynamic assessment of the LiF-NaF-BeF2-ThF4-UF4 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-ThF4-UF4 system with addition of BeF2 which is characterized by very low neutron capture cross section and a relatively low melting point. To extend the database the binary BeF2-ThF4 and BeF2-UF4 systems were optimized and the novel data were used for the thermodynamic assessment of BeF2 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.

Development of a Cost-Effective Modular Pixelated NaI(Tl) Detector for Clinical SPECT Applications

PubMed Central

Rozler, Mike; Liang, Haoning; Chang, Wei

2013-01-01

A new pixelated detector for high-resolution clinical SPECT applications was designed and tested. The modular detector is based on a scintillator block comprised of 2.75×2.75×10 mm3 NaI(Tl) pixels and decoded by an array of 51 mm diameter single-anode PMTs. Several configurations, utilizing two types of PMTs, were evaluated using a collimated beam source to measure positioning accuracy directly. Good pixel separation was observed, with correct pixel identification ranging from 60 to 72% averaged over the entire area of the modules, depending on the PMT type and configuration. This translates to a significant improvement in positioning accuracy compared to continuous slab detectors of the same thickness, along with effective reduction of “dead” space at the edges. The observed 10% average energy resolution compares well to continuous slab detectors. The combined performance demonstrates the suitability of pixelated detectors decoded with a relatively small number of medium-sized PMTs as a cost-effective approach for high resolution clinical SPECT applications, in particular those involving curved detector geometries. PMID:24146436

Theoretical evaluation of the radiative lifetimes of LiCs and NaCs in the A1Σ+ state

NASA Astrophysics Data System (ADS)

Mabrouk, N.; Berriche, H.

2017-08-01

Calculations of the adiabatic potential energy curves and the transition dipole moments between the ground (A1Σ+) and the first excited (A1Σ+) states have been determined for the LiCs and NaCs molecules. The calculations are performed using an ab initio approach based on non-empirical pseudopotentials for Cs+, Li+ and Na+ cores, parameterized l-dependent polarization potentials and full configuration interaction calculations. The potential energy curves and the transition dipole moment are used to estimate the radiative lifetimes of the vibrational levels of the A+Σ+ state using the Franck-Condon (FC) approximation and the approximate sum rule method. The radiative lifetimes associated with the A+Σ+ state are presented here for the first time. These data can help experimentalists to optimize photoassociative formation of ultracold molecules and their longevity in a trap or in an optical lattice.

Enhanced photoluminescence of Gd2O3:Eu3+ nanophosphors with alkali (M=Li+, Na+, K+) metal ion co-doping.

PubMed

Dhananjaya, N; Nagabhushana, H; Nagabhushana, B M; Rudraswamy, B; Shivakumara, C; Narahari, K; Chakradhar, R P S

2012-02-01

Gd(1.95)Eu(0.04)M(0.01)O(3) (M=Li(+), Na(+), K(+)) nanophosphors have been synthesized by a low temperature solution combustion (LSC) method. Powder X-ray diffraction pattern (PXRD), scanning electron microscopy (SEM), UV-vis and photoluminescence (PL) measurements were carried out to characterize their structural and luminescent properties. The excitation and emission spectra indicated that the phosphor could be well excited by UV light (243 nm) and emit red light about 612 nm. The effect of alkali co-dopant on PL properties has been examined. The results showed that incorporation of Li(+), Na(+) and K(+) in to Gd(2)O(3):Eu(3+) phosphor would lead to a remarkable increase of photoluminescence. The PL intensity of Gd(2)O(3):Eu(3+) phosphor was improved evidently by co-doping with Li(+) ions whose radius is less than that of Gd(3+) and hardly with Na(+), K(+) whose radius is larger than that of Gd(3+). The effect of co-dopants on enhanced luminescence was mainly regarded as the result of a suitable local distortion of crystal field surrounding the Eu(3+) activator. These results will play an important role in seeking some more effective co-dopants. Copyright © 2011. Published by Elsevier B.V.

Scaled Hartree-Fock force field calculations for organothallium compounds: Normal-mode analysis for TlCH sub 3 Tl(CH sub 3 ) sub 2 sup + , Tl(CH sub 3 ) sub 3 , Tl(CH sub 3 ) sub 2 Br, and Tl(CH sub 3 ) sub 4 sup minus

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

Schwerdtfeger, P.; Bowmaker, G.A.; Boyd, P.D.W.

1990-02-01

In a recent paper we presented Hartree-Fock (HF) calculations for aliphatic organothallium compounds. The diagonal HF force constants obtained from a Fletcher-Powell geometry optimization are now used for a normal-mode analysis of TlCH{sub 3}, Tl(CH{sub 3}){sub 2}{sup +}, Tl(CH{sub 3}){sub 3}, Tl(CH{sub 3}){sub 2}Br, and Tl(CH{sub 3}){sub 4}{sup {minus}}. In order to calculate frequencies comparable to experimental values, the HF force field has been scaled by using scaling factors obtained from experimental infrared and Raman measurements on Tl(CH{sub 3}){sub 2}{sup +} and TlBr. The vibrational spectra of Tl(CH{sub 3}){sub 2}{sup +} were remeasured (infrared and Raman) in order to obtainmore » an accurate force field. Predictions are made for the vibrational spectrum of the as yet undetected TlCH{sub 3} molecule. Experimental infrared and Raman results for Tl(CH{sub 3}){sub 3} compare reasonably well with our calculated frequencies. Relativistic and correlation effects are analyzed for the vibrational frequencies of Tl(CH{sub 3}){sub 2}{sup +}.« less

Fast Li-Ion Transport in Amorphous Li 2Si 2O 5: An Ab Initio Molecular Dynamics Simulation

DOE PAGES

Lei, Xueling; Wang, Jie; Huang, Kevin

2016-05-03

The present study reports an ab-initio molecular dynamics (AIMD) simulation of ionic diffusion in the amorphous Li 2Si 2O 5 in a temperature range of 573–823 K. The results show that the amorphous Li 2Si 2O 5 is primarily a Li + conductor with negligible O 2- and Si 4+ contributions. The obtained activation energy of 0.47 eV for Li + diffusion is higher than Na + in the analogue amorphous Na 2Si 2O 5, but close to other types of Li + conductors. The predicted Li + conductivity is on the order of 10 -2 S·cm -1 at 623–823more » K. Our simulations also reveal that Li + in the amorphous Li 2Si 2O 5 diffuses via a hopping mechanism between the nearest sites in the channels formed by two adjacent SiO 4 layers.« less

Understanding charge transfer of Li+ and Na+ ions scattered from metal surfaces with high work function

NASA Astrophysics Data System (ADS)

Chen, Lin; Wu, Wen-Bin; Liu, Pin-Yang; Xiao, Yun-Qing; Li, Guo-Peng; Liu, Yi-Ran; Jiang, Hao-Yu; Guo, Yan-Ling; Chen, Xi-Meng

2016-08-01

For Li+ and Na+ ions scattered from high work function metal surfaces, efficient neutralization is observed, and it cannot be explained by the conventional free electron model. In order to explain these experimental data, we investigate the velocity-dependent neutral fraction with the modified Brako-Newns (BN) model. The calculated results are in agreement with the experimental data. We find that the parallel velocity effect plays an important role in neutralizing the Li+ and Na+ ions for large angle scattering. The nonmonotonic velocity behavior of neutral fraction is strongly related to the distance-dependent coupling strength between the atomic level and metal states. Project supported by the National Natural Science Foundation of China (Grant Nos. 11405078 and 11474140), the Fundamental Research Funds for the Central Universities, China (Grant Nos. lzujbky-2014-169 and lzujbky-2015-244), the Project sponsored by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, the State Education Ministry, and the National Students’ Innovation and Entrepreneurship Training Program (Grant Nos. 201410730069 and 201510730078).

A temperature sensor based on the enhanced upconversion luminescence of Li+ doped NaLuF4:Yb3+,Tm3+/Er3+ nano/microcrystals.

PubMed

Qiang, Qinping; Du, Shanshan; Ma, Xinlong; Chen, Wenbo; Zhang, Gangyi; Wang, Yuhua

2018-05-09

In this paper, fluorescent and optical temperature sensing bi-functional Li+-doping NaLuF4:Ln (Ln = Yb3+, Tm3+/Er3+) nanocrystals were synthesized via a simple hydrothermal method using oleic acid as a capping ligand. The crystal phase, size, upconversion (UC) properties, and optical temperature sensing characteristics of the crystals can be easily modified by Li+ doping. The results reveal that additional Li+ can promote the transformation from the hexagonal phase to the cubic phase and reduce the size of the nanocrystals. In addition, NaLuF4:Ln (Ln = Yb3+, Tm3+, Li+) nanocrystals present efficient near infrared (NIR) emission, which is beneficial for in vivo biomedical applications due to the increased penetration depth and low radiation damage of NIR light in bio-tissues. More importantly, under 980 nm excitation, the temperature dependent UCL from the 2H11/2 and 4S3/2 levels of Er3+ ions in NaLuF4:Yb3+,Er3+,Li+ microcrystals was investigated systematically. The fluorescence intensity ratios (FIR) of the pairs of thermally coupled levels were studied as a function of temperature in the range of 298-523 K. The maximum sensor sensitivities were found to be about 0.0039 K-1 (523 K) by exploiting the UC emissions from the 2H11/2 and 4S3/2 levels. This suggests that the Li+-doped upconversion luminescence (UCL) materials are promising prototypes for application as multi-mode probes for use in bio-separation and optical thermometers.

Thermoluminescence properties of Li2B4O7:Cu, B phosphor synthesized using solution combustion technique

NASA Astrophysics Data System (ADS)

Ozdemir, A.; Altunal, V.; Kurt, K.; Depci, T.; Yu, Y.; Lawrence, Y.; Nur, N.; Guckan, V.; Yegingil, Z.

2017-12-01

To determine the effects of various concentrations of the activators copper (Cu) and boron (B) on the thermoluminescence (TL) properties of lithium tetraborate, the phosphor was first synthesized and doped with five different concentrations of copper (0.1-0.005 wt%) using solution combustion method. 0.01 wt% Cu was the concentration which showed the most significant increase in the sensitivity of the phosphor. The second sort of Li2B4O7:Cu material was prepared by adding B (0.001-0.03 wt%) to it. The newly developed copper-boron activated lithium tetraborate (Li2B4O7:Cu, B) material with 0.01 wt% Cu and 0.001 wt% B impurity concentrations was shown to have promise as a TL phosphor. The material formation was examined using powder x-Ray Diffraction (XRD) analysis and Scanning Electron Microscope (SEM) imaging. Fourier Transform Infrared (FT-IR) spectrum of the synthesized polycrystalline powder sample was also recorded. The TL glow curves were analyzed to determine various dosimetric characteristics of the synthesized luminophosphors. The dose response increased in a ;linear; way with the beta-ray exposure between 0.1-20 Gy, a dose range being interested in medical dosimetry. The response with changing photon and electron energy was studied. The rate of decay of the TL signal was investigated both for dark storage and under direct sunlight. Li2B4O7:Cu, B showed no individual variation of response in 9 recycling measurements. The fluorescence spectrum was determined. The kinetic parameters were estimated by different methods and the results discussed. The studied properties of synthesized Li2B4O7:Cu, B were found all favorable for dosimetric purposes.

Point Defect Properties of Cd(Zn)Te and TlBr for Room-Temperature Gamma Radiation Detectors

NASA Astrophysics Data System (ADS)

Lordi, Vincenzo

2013-03-01

The effects of various crystal defects in CdTe, Cd1-xZnxTe (CZT), and TlBr are critical for their performance as room-temperature gamma radiation detectors. We use predictive first principles theoretical methods to provide fundamental, atomic scale understanding of the defect properties of these materials to enable design of optimal growth and processing conditions, such as doping, annealing, and stoichiometry. Several recent cases will be reviewed, including (i) accurate calculations of the thermodynamic and electronic properties of native point defects and point defect complexes in CdTe and CZT; (ii) the effects of Zn alloying on the native point defect properties of CZT; (iii) point defect diffusion and binding related to Te clustering in Cd(Zn)Te; (iv) the profound effect of native point defects--principally vacancies--on the intrinsic material properties of TlBr, particularly electronic and ionic conductivity; (v) tailored doping of TlBr to independently control the electronic and ionic conductivity; and (vi) the effects of metal impurities on the electronic properties and device performance of TlBr detectors. Prepared by LLNL under Contract DE-AC52-07NA27344 with support from the National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development NA-22.

Implementation of gamma-ray spectrometry in two real-time water monitors using NaI(Tl) scintillation detectors.

PubMed

Casanovas, R; Morant, J J; Salvadó, M

2013-10-01

In this study, the implementation of gamma-ray spectrometry in two real-time water monitors using 2 in. × 2 in. NaI(Tl) scintillation detectors is described. These monitors collect the water from the river through a pump and it is analyzed in a vessel, which is shielded with Pb. The full calibration of the monitors was performed experimentally, except for the efficiency curve, which was set using validated Monte Carlo simulations with the EGS5 code system. After the calibration, the monitors permitted the identification and quantification of the involved isotopes in a possible radioactive increment and made it possible to discard possible leaks in the nuclear plants. As an example, a radiological increment during rain is used to show the advantages of gamma-ray spectrometry. To study the capabilities of the monitor, the minimum detectable activity concentrations for (131)I, (137)Cs and (40)K are presented for different integration times. Copyright © 2013 Elsevier Ltd. All rights reserved.

SoTL in Verse

ERIC Educational Resources Information Center

Gilpin, Lorraine S.

2013-01-01

This piece offers an overview of the Scholarship of Teaching and Learning (SoTL) in a nontraditional genre. It glances backward to the catalyst for the movement and traverses the context of SoTL today. Grounded in foundational literature of the field, it explores ideas about SoTL, including its purpose, nature, and characteristics. It underscores…

The Electrochemical Co-reduction of Mg-Al-Y Alloys in the LiCl-NaCl-MgCl2-AlF3-YCl3 Melts

NASA Astrophysics Data System (ADS)

Li, Mei; Liu, Yaochen; Han, Wei; Wang, Shanshan; Zhang, Milin; Yan, Yongde; Shi, Weiqun

2015-04-01

The electrochemical formation of Mg-Al-Y alloys was studied in the LiCl-NaCl-MgCl2 melts by the addition of AlF3 and YCl3 on a molybdenum electrode at 973 K (700 °C). In order to reduce the volatilization of salt solvent in the electrolysis process, the volatile loss of LiCl-NaCl-MgCl2 and LiCl-KCl-MgCl2 melts was first measured in the temperature range from 873 K to 1023 K (600 °C to 750 °C). Then, the electrochemical behaviors of Mg(II), Al(III), Y(III) ions and alloy formation processes were investigated by cyclic voltammetry, chronopotentiometry, and open circuit chronopotentiometry. The cyclic voltammograms indicate that the under-potential deposition of magnesium and yttrium on pre-deposited Al leads to formation of Mg-Al and Al-Y intermetallic compounds. The Mg-Al-Y alloys were prepared by galvanostatic electrolysis in the LiCl-NaCl-MgCl2-AlF3-YCl3 melts and characterized by X-ray diffraction and scanning electron microscopy with energy dispersive spectrometry. Composition of the alloys was analyzed by inductively coupled plasma-atomic emission spectrometer, and current efficiency was also determined by the alloy composition.

(Tl, Sb) and (Tl, Bi) binary surface reconstructions on Ge(111) substrate

NASA Astrophysics Data System (ADS)

Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Yakovlev, A. A.; Mihalyuk, A. N.; Zotov, A. V.; Saranin, A. A.

2018-03-01

2D compounds made of Group-III and Group-V elements on the surface of silicon and germanium attract considerable attention due to prospects of creating III-V binary monolayers, which are predicted to hold advanced physical properties. In the present work, we have investigated two such systems, (Tl, Sb)/Ge(111) and (Tl, Bi)/Ge(111) using scanning tunneling microscopy, low energy electron diffraction observations and density-functional-theory calculations. In addition to the previously reported surface structures of 2D (Tl, Sb) and (Tl, Bi) compounds on Si(111), we found new ones, namely, √{ 7} × √{ 7} and 3 × 3. Formation processes and plausible models of their atomic arrangements are discussed.

DNA-controlled assembly of a NaTl lattice structure from gold nanoparticles and protein nanoparticles

NASA Astrophysics Data System (ADS)

Cigler, Petr; Lytton-Jean, Abigail K. R.; Anderson, Daniel G.; Finn, M. G.; Park, Sung Yong

2010-11-01

The formation of diamond structures from tailorable building blocks is an important goal in colloidal crystallization because the non-compact diamond lattice is an essential component of photonic crystals for the visible-light range. However, designing nanoparticle systems that self-assemble into non-compact structures has proved difficult. Although several methods have been proposed, single-component nanoparticle assembly of a diamond structure has not been reported. Binary systems, in which at least one component is arranged in a diamond lattice, provide alternatives, but control of interparticle interactions is critical to this approach. DNA has been used for this purpose in a number of systems. Here we show the creation of a non-compact lattice by DNA-programmed crystallization using surface-modified Qβ phage capsid particles and gold nanoparticles, engineered to have similar effective radii. When combined with the proper connecting oligonucleotides, these components form NaTl-type colloidal crystalline structures containing interpenetrating organic and inorganic diamond lattices, as determined by small-angle X-ray scattering. DNA control of assembly is therefore shown to be compatible with particles possessing very different properties, as long as they are amenable to surface modification.

Dosimetric characteristics of LKB:Cu,P solid TL detector

NASA Astrophysics Data System (ADS)

Hashim, S.; Alajerami, Y. S. M.; Ghoshal, S. K.; Saleh, M. A.; Saripan, M. I.; Kadir, A. B. A.; Bradley, D. A.; Alzimami, K.

2014-11-01

The dosimetric characteristics of newly developed borate glass dosimeter modified with lithium and potassium carbonate (LKB) and co-doped with CuO and NH4H2PO4 are reported. Broad peaks in the absence of any sharp peak confirms the amorphous nature of the prepared glass. A simple glow curve of Cu doped sample is observed with a single prominent peak (Tm) at 220 °C. The TL intensity response shows an enhancement of ~100 times due to the addition of CuO (0.1 mol%) to LKB compound. A further enhancement of the intensity by a factor of 3 from the addition of 0.25 mol% NH4H2PO4 as a co-dopant impurity is attributed to the creation of extra electron traps with consequent increase in energy transfer of radiation recombination centers. The TL yield performance of LKB:Cu,P with Zeff ≈8.92 is approximately seventeen times less sensitive compared to LiF:Mg,Ti (TLD-100). The proposed dosimeter shows good linearity up to 103 Gy, minimal fading and photon energy independence. These attractive features offered by our dosimeter is expected to pave the way towards dosimetric applications.

The North American Listening in Spatialized Noise-Sentences test (NA LiSN-S): normative data and test-retest reliability studies for adolescents and young adults.

PubMed

Brown, David K; Cameron, Sharon; Martin, Jeffrey S; Watson, Charlene; Dillon, Harvey

2010-01-01

The Listening in Spatialized Noise-Sentences test (LiSN-S; Cameron and Dillon, 2009) was originally developed to assess auditory stream segregation skills in children aged 6 to 11 yr with suspected central auditory processing disorder. The LiSN-S creates a three-dimensional auditory environment under headphones. A simple repetition-response protocol is used to assess a listener's speech reception threshold (SRT) for target sentences presented in competing speech maskers. Performance is measured as the improvement in SRT in dB gained when either pitch, spatial, or both pitch and spatial cues are incorporated in the maskers. A North American-accented version of the LiSN-S (NA LiSN-S) is available for use in the United States and Canada. To develop normative data for adolescents and adults on the NA LiSN-S, to compare these data with those of children aged 6 to 11 yr as documented in Cameron et al (2009), and to consolidate the child, adolescent, and adult normative and retest data to allow the software to be used with a wider population. In a descriptive design, normative data and test-retest reliability data were collected. One hundred and twenty normally hearing participants took part in the normative data study (67 adolescents aged 12 yr, 1 mo, to 17 yr, 10 mo, and 53 adults aged 19 yr, 10 mo, to 30 yr, 30 mo). Forty-nine participants returned between 1 and 4 mo after the initial assessment for retesting. Participants were recruited from sites in Cincinnati, Dallas, and Calgary. When combined with data collected from children aged 6 to 11 yr, a trend of improved performance as a function of increasing age was found across performance measures. ANOVA (analysis of variance) revealed a significant effect of age on performance. Planned contrasts revealed that there were no significant differences between adults and children aged 13 yr and older on the low-cue SRT; 14 yr and older on talker and spatial advantage; 15 yr and older on total advantage; and 16 yr and older

Luminescence characteristics of C5+ ions and 60Co irradiated Li2BaP2O7:Dy3+ phosphor

NASA Astrophysics Data System (ADS)

Wani, J. A.; Dhoble, N. S.; Lochab, S. P.; Dhoble, S. J.

2015-04-01

In this work a study on some thermoluminescence characteristics of Li2BaP2O7:Dy phosphor is presented. The phosphor was synthesized by solid state diffusion method and characterized for its phase purity by X-ray diffraction (XRD). FT-IR spectrum was also carried out to confirm the presence of phosphate family and vibrations corresponding to P-O-P group. Spectroscopic investigation was approached through photoluminescence (PL) and thermoluminescence (TL). PL emission spectrum of Dy3+ ions corresponding to 4F9/2 → 6H13/2 (483 nm) and 4F9/2 → 6H15/2 (574 nm) transitions is revealed under 351 nm excitation wavelength. This characteristic emission confirms the presence of Dy3+ ions in the Li2BaP2O7 host matrix. To induce TL properties in Li2BaP2O7:Dy phosphor was irradiated with C5+ ion beams and gamma rays (60Co). A nearly simple glow curve was observed for Li2BaP2O7:Dy under two different excitation sources. TL response is almost linear over a wide range. Average absorbed dose (D bar) and mean linear energy transfer (LET ‾) of C5+ ion beams in Li2BaP2O7:Dy have also been calculated. Values of parameters like E and S known as trap depth and frequency factor respectively were obtained by using TLanal computer program. Also SRIM based calculations were performed to study the effect of C5+ ion beams on the samples of Li2BaP2O7:Dy. SRIM calculations show that Ba2+ vacancies are highest in number. Till date no such luminescence information on Li2BaP2O7:Dy phosphor is available.

GRAVIMETRIC DETERMINATION OF PLATINIUM, PALLADIUM, RUTHENIUM, RHODIUM AS TlPtS$sub 3$, TlPd$sub 2$S$sub 3$, TlRu$sub 2$S$sub 6$, TlRh$sub 2$S$sub 4$ (in Russian)

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

Rudnev, N.A.; Malofeeva, G.I.

1963-07-01

Gravimetric methods were developed for the determination of microamounts of Ru, Rh, Pt, and Pd as TlRu/sub 2/S/sub 6/, TlRh/sub 2/S/sub 4/ TlPtS/sub 3/, and TlPd/sub 2/S/sub 3/. The methods are simpl e, rapid, and satisfactorily accurate. (auth)

SABRE: A New NaI(T1) Dark Matter Direct Detection Experiment

NASA Astrophysics Data System (ADS)

Shields, Emily; Xu, Jingke; Calaprice, Frank

SABRE (Sodium-iodide with Active Background REjection) is a new NaI(Tl) experiment designed to test the DAMA/LIBRA claim for a positive WIMP-dark matter annual modulation signal. SABRE will consist of highly pure NaI(Tl) crystals in an active liquid scintillator veto that will be placed deep underground. The scintillator vessel will provide a veto against external backgrounds and those arising from detector components, especially the 3 keV signature from the decay of 40K in the crystal. Through the use of crystal purification techniques and the veto, we aim for a 40K background significantly lower than that of the DAMA/LIBRA experiment. We present our work developing low-background NaI(Tl) crystals using a highly pure NaI powder and the development of the veto.

TL and OSL dose response of LiF:Mg,Ti and Al2O3:C dosimeters using a PMMA phantom for IMRT technique quality assurance.

PubMed

Matsushima, Luciana C; Veneziani, Glauco R; Sakuraba, Roberto K; Cruz, José C; Campos, Letícia L

2015-06-01

The principle of IMRT is to treat a patient from a number of different directions (or continuous arcs) with beams of nonuniform fluences, which have been optimized to deliver a high dose to the target volume and an acceptably low dose to the surrounding normal structures (Khan, 2010). This study intends to provide information to the physicist regarding the application of different dosimeters type, phantoms and analysis technique for Intensity Modulated Radiation Therapy (IMRT) dose distributions evaluation. The measures were performed using dosimeters of LiF:Mg,Ti and Al2O3:C evaluated by techniques of thermoluminescent (TL) and Optically Stimulated Luminescence (OSL). A polymethylmethacrylate (PMMA) phantom with five cavities, two principal target volumes considered like tumours to be treated and other three cavities to measure the scattered radiation dose was developed to carried out the measures. Copyright © 2015 Elsevier Ltd. All rights reserved.

NaLi-H1: A universal synthetic library of humanized nanobodies providing highly functional antibodies and intrabodies

PubMed Central

Moutel, Sandrine; Bery, Nicolas; Bernard, Virginie; Keller, Laura; Lemesre, Emilie; de Marco, Ario; Ligat, Laetitia; Rain, Jean-Christophe; Favre, Gilles; Olichon, Aurélien; Perez, Franck

2016-01-01

In vitro selection of antibodies allows to obtain highly functional binders, rapidly and at lower cost. Here, we describe the first fully synthetic phage display library of humanized llama single domain antibody (NaLi-H1: Nanobody Library Humanized 1). Based on a humanized synthetic single domain antibody (hs2dAb) scaffold optimized for intracellular stability, the highly diverse library provides high affinity binders without animal immunization. NaLi-H1 was screened following several selection schemes against various targets (Fluorescent proteins, actin, tubulin, p53, HP1). Conformation antibodies against active RHO GTPase were also obtained. Selected hs2dAb were used in various immunoassays and were often found to be functional intrabodies, enabling tracking or inhibition of endogenous targets. Functionalization of intrabodies allowed specific protein knockdown in living cells. Finally, direct selection against the surface of tumor cells produced hs2dAb directed against tumor-specific antigens further highlighting the potential use of this library for therapeutic applications. DOI: http://dx.doi.org/10.7554/eLife.16228.001 PMID:27434673

Fluor-ferro-leakeite, NaNa2(FC2+2Fe3+2Li)Si8O22F2, a new alkali amphibole from the Canada Pinabete pluton, Questa, New Mexico, U.S.A.

USGS Publications Warehouse

Hawthorne, F.C.; Oberti, R.; Ungaretti, L.; Ottolini, L.; Grice, Joel D.; Czamanske, G.K.

1996-01-01

Fluor-ferro-leakeite is a new amphibole species from the Canada Pinabete pluton, Questa, New Mexico, U.S.A.; it occurs in association with quartz, alkali feldspar, acmite, ilmenite, and zircon. It forms as anhedral bluish black crystals elongated along c and up to 1 mm long. It is brittle, H = 6, Dmeas = 3.37 g/cm3, Dcalc = 3.34 g/cm3. In plane-polarized light, it is strongly pleochroic, X = very dark indigo blue, Y = gray blue, Z = yellow green; X ??? c = 10?? (in ??obtuse), Y = b, Z ??? a = 4?? (in ?? obtuse), with absorption X > Y > Z. Fluor-ferro-leakeite is biaxial positive, ?? = 1.675(2), ??= 1.683(2), ?? = 1.694(1); 2V = 87(2)??; dispersion is not visible because of the strong absorption. Fluor-ferro-leakeite is monoclinic, space group C2/m, a = 9.792(1), b = 17.938(1), c = 5.3133(4) A??, ??= 103.87(7)??, V = 906.0(1) A??3, Z = 2. The ten strongest X-ray diffraction lines in the powder pattern are [d(I,hkl)]: 2.710(100,151), 2.536(92,202), 3.404(57,131), 4.481(54,040), 8.426(45,110), 2.985(38,241), 2.585(38,061), 3.122(29,310), 2.165(26,261), and 1.586(25,403). Analysis by a combination of electron microprobe, ion microprobe, and crystal-structure refinement (Hawthorne et al. 1993) gives SiO2 51.12, Al2O3 1.13, TiO2 0.68, Fe2O3 16.73, FeO 8.87, MgO 2.02, MnO 4.51, ZnO 0.57, CaO 0.15, Na2O 9.22, K2O 1.19, Li2O 0.99, F 2.87, H2Ocalc 0.60, sum 99.44 wt%. The formula unit, calculated on the basis of 23 O atoms, is (K0.23Na0.76)(Na1.97Ca0.03)(Mg 0.46Fe2+1.4Mn2+0.59Zn0.07Fe3+1.93-Ti 0.08Al0.02Li0.61])(Si7.81Al 0.19)O22(F1.39OH0.61). A previous crystal-structure refinement (Hawthorne et al. 1993) shows Li to be completely ordered at the M3 site. Fluor-ferro-leakeite, ideally NaNa2(Fe2+2Fe3+2Li)Si8O22F2, is related to leakeite, NaNa2(Mg2Fe3+3Li)Si 8O22(OH)2, by the substitutions Fe2+ ??? Mg and F ??? OH.

Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃

DOE PAGES

Yue, Ji-Li; Zhou, Yong-Ning; Shi, Si-Qi; ...

2015-03-06

The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe₂(MoO₄)₃ electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na⁺ and Li⁺, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe₂(MoO₄)₃ and the one by one Na occupation (pseudo-continuous occupation) at 8d sites inmore » partially sodiated Fe₂(MoO₄)₃ are obtained during the discharge processes of Li/Fe₂(MoO₄)₃ and Na/Fe₂(MoO₄)₃ cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.« less

Theoretical Study of the Metal-Controlled Dehydrogenation Mechanism of MN2H3BH3 (M = Li, Na, K): A New Family of Hydrogen Storage Material.

PubMed

Li, Tong; Zhang, Jian-Guo

2018-02-08

Metal hydrazineboranes (MHBs), as a kind of new hydrogen storage materials, show excellent hydrogen storage performance and dehydrogenation properties. Herein, we designed multiple dehydrogenation pathways to compare the metal-controlled effect. Quantum chemistry theory is used to calculate the crystal structure for determining the molecular structure. With an increase of the metal radius, the energy difference of the isomers also increases. The dehydrogenation pathways of lithium hydrazineborane (path A) and sodium hydrazineborane (path B) appear totally similar to each other in the dehydrogenation process despite the energy barrier, as well as the comparison paths A' (for LiHB) and B' (for NaHB). In contrast with LiHB and NaHB, the tautomeric reaction occurs in the potassium hydrazineborane (KHB) first, and the following dehydrogenation path is similar to that of the LiHB and NaHB. It explores the hydrogen-release properties of the different metal hydrazineboranes and also indcates the affection of the metal in the metal hydrazineboranes hydrogen-storage system.

Absorption edge parameters of the LIII edge for compounds of Hg, Tl, Pb and Bi using EDXRF technique

NASA Astrophysics Data System (ADS)

Singh, Gurinderjeet; Singh, Amrit; Gupta, Manoj Kumar; Dhaliwal, A. S.; Kahlon, K. S.

2018-03-01

The measurement of Absorption edge parameters of the LIII edge of pure elements Hg, Tl, Pb and Bi along with their compounds HgCl2, HgO, HgF2, TlCl, Tl2O3, PbCl2, PbF2, Pb3O4, BiF3, BiCl3 and Bi2O3 has been done using EDXRF technique. In the present measurements 241Am (59.54 keV) radioactive source of activity 100 mCi along with CANBERRA make cryo-cooled Si (Li) detector is used. The measured results are compared with theoretically calculated values from FFAST version 2.1 (Chantler et al., 2005) and shows good agreement with each other within experimental uncertainties within 3.5%. It is observed that the values of absorption edge parameters of the LIII edge depends slightly on the chemical environment and shows almost constant behaviour with effective atomic number (Zeff)

Characterization of pixelated TlBr detectors with Tl electrodes

NASA Astrophysics Data System (ADS)

Hitomi, Keitaro; Onodera, Toshiyuki; Kim, Seong-Yun; Shoji, Tadayoshi; Ishii, Keizo

2014-05-01

A 4.36-mm-thick pixelated thallium bromide (TlBr) detector with Tl electrodes was fabricated from a crystal grown by the traveling molten zone method using zone-purified material. The detector had four 1×1 mm2 pixelated anodes. The detector performance was characterized at room temperature. The mobility-lifetime products of electrons for each pixel of the TlBr detector were measured to be >2.8×10-3 cm2/V. The four pixelated anodes of the detector exhibited energy resolutions of 1.5-1.8% full width at half maximum (FWHM) for 662-keV gamma rays for single-pixel events with the depth correction method. An energy resolution of 4.5% FWHM for 662-keV gamma rays was obtained from a reconstructed energy spectrum using two-pixel events from the two pixelated anodes on the detector.

Thermoluminescence glow-curve characteristics of LiF phosphors at high doses of gamma radiation

NASA Astrophysics Data System (ADS)

Benny, P. G.; Khader, S. A.; Sarma, K. S. S.

2013-05-01

High doses of ionising radiation are becoming increasingly common for radiation-processing applications of various medical, agricultural and polymer products using gamma and electron beams. The objective of this work was to study thermoluminescence (TL) glow-curve characteristics of commonly used commercial LiF TL phosphors at high doses of radiation with a view to use them in dosimetry of radiation-processing applications. The TL properties of TLD 100 and 700 phosphors, procured from the Thermo-Scientific (previously Harshaw) company, have been studied in the dose range of 1-60 kGy. The shift in glow peaks was observed in this dose range. Integral TL responses of TLD 100 and TLD 700 were found to decrease as a linear function of dose in the range of 5-50 kGy. The paper describes initial results related to the glow-curve characteristics of these phosphors.

The synthesis of ternary acetylides with tellurium: Li 2 TeC 2 and Na 2 TeC 2

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

Németh, Károly; Unni, Aditya K.; Kalnmals, Christopher

The synthesis of ternary acetylides Li 2TeC 2 and Na 2TeC 2 is presented as the first example of ternary acetylides with metalloid elements instead of transition metals. The synthesis was carried out by the direct reaction of the corresponding bialkali acetylides with tellurium powder in liquid ammonia. Alternatively, the synthesis of Na 2TeC 2 was also carried out by the direct reaction of tellurium powder and two equivalents of NaC 2H in liquid ammonia leading to Na 2TeC 2 and acetylene gas through an equilibrium containing the assumed NaTeC 2H molecules besides the reactants and the products. The resultingmore » disordered crystalline materials were characterized by X-ray diffraction and Raman spectroscopy. Implications of these new syntheses on the synthesis of other ternary acetylides with metalloid elements and transition metals are also discussed.« less

Tl(I) and Tl(III) activate both mitochondrial and extrinsic pathways of apoptosis in rat pheochromocytoma (PC12) cells

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

Hanzel, Cecilia Eliana; Verstraeten, Sandra Viviana

2009-04-01

Thallium (Tl) is a highly toxic metal though yet its mechanisms are poorly understood. Previously, we demonstrated that rat pheochromocytoma (PC12) cells exposure to thallous (Tl(I)) or thallic (Tl(III)) cations leads to mitochondrial damage and reduced cell viability. In the present work we comparatively characterized the possible pathways involved in Tl(I)- and Tl(III)- (10-100 {mu}M) mediated decrease in PC12 cells viability. We observed that these cations do not cause cell necrosis but significantly increased the number of cells with apoptotic features. Both cations lead to Bax oligomerization and caused apoptosis inducing factor (AIF), endonuclease G (Endo G), and cytochrome cmore » release from mitochondria, but they did not activate caspase dependent DNAse (CAD). Tl(I)- and Tl(III)-dependent caspases 9 and 3 activation followed similar kinetics, with maximal effects at 18 h of incubation. In addition, Tl(I) promoted phosphatidylserine (PS) exposure. Tl(III) induced 2- and 18-fold increase in Fas content and caspase 8 activity, respectively. Together, experimental results show that Tl(I) and Tl(III) induce PC12 cells apoptosis, although differential pathways are involved. While Tl(I)-mediated cell apoptosis was mainly associated with mitochondrial damage, Tl(III) showed a mixed effect triggering both the intrinsic and extrinsic pathways of apoptosis. These findings contribute to a better understanding of the mechanisms underlying Tl-induced loss of cell viability in PC12 cells.« less

Study on TL and OSL characteristics of indigenously developed CaF 2:Mn phosphor

NASA Astrophysics Data System (ADS)

Bakshi, A. K.; Dhabekar, Bhushan; Rawat, N. S.; Singh, S. G.; Joshi, V. J.; Kumar, Vijay

2009-02-01

CaF 2:Mn phosphor is known for its high thermoluminescent sensitivity and dose linearity up to few kGy. In the present study CaF 2 phosphor with different concentration of Mn dopant was prepared and was characterized through different techniques. The phosphor was prepared through chemical root using CaCO 3, HF acid and MnCl 2 as raw materials following co-precipitation method. TL sensitivity of the prepared phosphor was compared with other well established phosphors used for radiation dosimetry. It was found that the TL sensitivity is higher by a factor of 10 with respect to LiF:Mg, Ti, TLD-100 and half to that of CaSO 4:Dy (0.05 mol%) phosphor. X-ray diffraction, TL emission spectrum and ESR spectrum taken of the prepared phosphor confirms the crystal structure, Mn 2+ emission and incorporation Mn in the crystal, respectively. No significant fading of the dosimetric peak was observed of the prepared phosphor for a storage period of 45 days. The dose linearity of the phosphor was found to be in the range of 50 Gy-3 kGy within an uncertainty of about 10%. An attempt was made to determine the kinetic parameters of TL glow curve and the parameters related to optically stimulated luminescence. In view of its long range of dose linearity, it can be used for the dosimetry of commercial irradiator generally used for the irradiation of food and grains in our country.

TL-OSL study of Li{sub 3}PO{sub 4}: Mg, Cu phosphor

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

Rahangdale, S. R., E-mail: sachin.rahangdale1@gmail.com; Wankhede, S. P.; Dhabekar, B. S.

In the present work, we report the thermoluminescence and optically stimulated luminescence properties of Mg and Cu doped Li{sub 3}PO{sub 4} phosphor. The phosphor was synthesized by precipitation method. The thermoluminescence dosimetric peak temperature for the phosphor varies with concentrations of Mg and Cu. Li{sub 3}PO{sub 4} shows good response to 470nm optical stimulation. The OSL sensitivity of the phosphor is approximately 12 times than that of standard Lithium magnesium phosphate. This study may help to develop this material for the application in real time dosimetry using optically stimulated luminescence.

Photoelectron spectroscopy and theoretical study of M(IO3)2(-) (M = H, Li, Na, K): structural evolution, optical isomers, and hyperhalogen behavior.

PubMed

Hou, Gao-Lei; Wu, Miao Miao; Wen, Hui; Sun, Qiang; Wang, Xue-Bin; Zheng, Wei-Jun

2013-07-28

H(IO3)2(-) and M(IO3)2(-) (M = Li, Na, K) anions were successfully produced via electrospray ionization of their corresponding bulk salt solutions, and were characterized by combining negative ion photoelectron spectroscopy and quantum chemical calculations. The experimental vertical detachment energies (VDEs) of M(IO3)2(-) (M = H, Li, Na, K) are 6.25, 6.57, 6.60, and 6.51 eV, respectively, and they are much higher than that of IO3(-) (4.77 eV). The theoretical calculations show that each of these anions has two energetically degenerate optical isomers. It is found that the structure of H(IO3)2(-) can be written as IO3(-)(HIO3), in which the H atom is tightly bound to one of the IO3(-) groups and forms an iodic acid (HIO3) molecule; while the structures of M(IO3)2(-) can be written as (IO3(-))M(+)(IO3(-)), in which the alkali metal atoms interact with the two IO3(-) groups almost equally and bridge the two IO3(-) groups via two O atoms of each IO3(-) with the two MOOI planes nearly perpendicular to each other. In addition, the high VDEs of M(IO3)2(-) (M = Li, Na, K) can be explained by the hyperhalogen behavior of their neutral counterparts.

Promoted nitrogen dissolution due to the addition of Li or Ca to Ga-Na melt; some effects of additives on the growth of GaN single crystals using the sodium flux method

NASA Astrophysics Data System (ADS)

Morishita, Masanori; Kawamura, Fumio; Kawahara, Minoru; Yoshimura, Masashi; Mori, Yusuke; Sasaki, Takatomo

2005-10-01

The effect of the addition of Li or Ca to Ga-Na melt on the promotion of nitrogen dissolution was examined quantitatively in the growth of GaN single crystals using the sodium flux method. The addition of Li or Ca to Ga-Na melt increased both the solubility of solid GaN and that of gaseous nitrogen against the solution. The increase in the solubility of gaseous nitrogen seems to be caused by additives having a high binding energy with nitrogen. We measured the solubility of GaN and that of gaseous nitrogen against Ga-Na, Ga-Na-Li and Ga-Na-Ca melt in this study. On the basis of these data, we clarified the relationship between the N/Ga ratio in the solution and the coloration of GaN crystals grown in each system, and between changes in the yield of GaN and the absolute value of supersaturation.

Phase equilibrium relations in the binary systems LiPO 3CeP 3O 9 and NaPO 3CeP 3O 9

NASA Astrophysics Data System (ADS)

Rzaigui, Mohamed; Ariguib, Najia Kbir

1981-10-01

The LiPO 3CeP 3O 9 and NaPO 3CeP 3O 9 systems have been investigated for the first time by DTA, X-ray diffraction, and infrared spectroscopy. Each system forms a single 1:1 compound. LiCe(PO 3) 4 melts in a peritectic reaction at 980°C. NaCe(PO 3) 4 melts incongruently, too, at 865°C. These compounds have a monoclinic unit cell with the parameters: a = 16.415(6), b = 7,042(6), c = 9.772(7)Å; β = 126.03(5)°; Z = 4; space group {C 2}/{c} for LiCe (PO 3) 4; and a = 9.981(4), b = 13.129(6), c = 7.226(5) Å, β = 89.93(4)°, Z = 4, space group {P2 1}/{n} for NaCe(PO 3) 4. It is established that both compounds are mixed polyphosphates with chain structure of the type | MIIMIIIII (PO 3) 4| ∞MII: alkali metal, MIIIII: rare earth.

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

NASA Astrophysics Data System (ADS)

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

2006-06-01

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

AsS-Tl/sub 3/AsS/sub 4/ and AsS-Tl/sub 2/S systems

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

Vorob'ev, Yu.I.; Velikova, N.G.; Kirilenko, V.V.

1987-11-01

Using DTA and XPA as well as microstructural analysis and microhardness measurements, the AsS-Tl/sub 3/AsS/sub 4/ and AsS-Tl/sub 2/S phase diagrams are studied. Two new ternary compounds, Tl/sub 2/As/sub 3/S/sub 4/ and Tl/sub 2/As/sub 2/S/sub 3/, are revealed and their interplanar distances are calculated.

Electrochemical preparation of carbon films with a Mo2C interlayer in LiCl-NaCl-Na2CO3 melts

NASA Astrophysics Data System (ADS)

Ge, Jianbang; Wang, Shuai; Zhang, Feng; Zhang, Long; Jiao, Handong; Zhu, Hongmin; Jiao, Shuqiang

2015-08-01

The electrodeposition of carbon films with a Mo2C interlayer was investigated in LiCl-NaCl-Na2CO3 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 Mo2C interlayer were prepared by constant voltage electrolysis, showing a good adhesion between Mo substrate and carbon films. The carbon films with a Mo2C 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 Mo2C) leads to the formation and growth of Mo2C interlayer.

Advances in TlBr detector development

NASA Astrophysics Data System (ADS)

Hitomi, Keitaro; Shoji, Tadayoshi; Ishii, Keizo

2013-09-01

Thallium bromide (TlBr) is a promising compound semiconductor for fabrication of gamma-ray detectors. The attractive physical properties of TlBr lie in its high photon stopping power, high resistivity and good charge transport properties. Gamma-ray detectors fabricated from TlBr crystals have exhibited excellent spectroscopic performance. In this paper, advances in TlBr radiation detector development are reviewed with emphasis on crystal growth, detector fabrication, physical properties and detector performance.

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

NASA Astrophysics Data System (ADS)

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

One-Step Catalytic Synthesis of CuO/Cu2O in a Graphitized Porous C Matrix Derived from the Cu-Based Metal-Organic Framework for Li- and Na-Ion Batteries.

PubMed

Kim, A-Young; Kim, Min Kyu; Cho, Keumnam; Woo, Jae-Young; Lee, Yongho; Han, Sung-Hwan; Byun, Dongjin; Choi, Wonchang; Lee, Joong Kee

2016-08-03

The hybrid composite electrode comprising CuO and Cu2O micronanoparticles in a highly graphitized porous C matrix (CuO/Cu2O-GPC) has a rational design and is a favorable approach to increasing the rate capability and reversible capacity of metal oxide negative materials for Li- and Na-ion batteries. CuO/Cu2O-GPC is synthesized through a Cu-based metal-organic framework via a one-step thermal transformation process. The electrochemical performances of the CuO/Cu2O-GPC negative electrode in Li- and Na-ion batteries are systematically studied and exhibit excellent capacities of 887.3 mAh g(-1) at 60 mA g(-1) after 200 cycles in a Li-ion battery and 302.9 mAh g(-1) at 50 mA g(-1) after 200 cycles in a Na-ion battery. The high electrochemical stability was obtained via the rational strategy, mainly owing to the synergy effect of the CuO and Cu2O micronanoparticles and highly graphitized porous C formed by catalytic graphitization of Cu nanoparticles. Owing to the simple one-step thermal transformation process and resulting high electrochemical performance, CuO/Cu2O-GPC is one of the prospective negative active materials for rechargeable Li- and Na-ion batteries.

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

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

Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Piskunov, Yu. V.; Gerashchenko, A. P.

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.

TlBr and TlBr xI 1-x crystals for γ-ray detectors

NASA Astrophysics Data System (ADS)

Churilov, Alexei V.; Ciampi, Guido; Kim, Hadong; Higgins, William M.; Cirignano, Leonard J.; Olschner, Fred; Biteman, Viktor; Minchello, Mark; Shah, Kanai S.

2010-04-01

TlBr and TlBr xI 1-x are wide bandgap semiconductor materials being investigated for applications in γ-ray spectroscopy. They have a good combination of density and atomic numbers, promising to make them very efficient detectors. Their low melting points and simple cubic and orthorhombic crystal structures are favorable for bulk crystal growth. However, these semiconductors need to be extremely pure to become useful as radiation detectors. Impurities can lead to charge trapping and scattering, reducing the charge transit lengths and limiting the detector thickness to <1 mm. Additional purification steps were implemented to improve the purity and mobility-lifetime product ( μτ) of electrons. Detector-grade TlBr with the electron μτ product of up to 6×10 -3 cm 2/V has been produced, which allowed operation of detectors up to 15 mm thickness. The ternary TlBr xI 1-x was investigated at different compositions to vary the bandgap and explore the effect of added TlI on the long term stability of detectors. The material analysis and detector characterization results are included.

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

PubMed

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.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Theoretical study of 'Mixed' ligands superhalogens: Cl-M-NO3 (M = Li, Na, K)

NASA Astrophysics Data System (ADS)

Zhao, Xinghua; Liu, Weihui; Wang, Jiesheng; Li, Chun; Yuan, Guang

2016-08-01

MCl2-, M(NO3)2-, and (Cl-M-NO3)- (M = Li, Na, K) species are systematically investigated using the density functional theory. In all the cases studied, the vertical detachment energies (VDEs) exceed the electron affinity of chlorine atom, leading to the conclusion that MCl2-, M(NO3)2- and (Cl-M-NO3)- are superhalogens. The VDEs of (Cl-M-NO3)- are between that of MCl2- and M(NO3)2-, showing that replacing one ligand with a larger electronegative ligand leads to the higher VDE. Superhalogens with suitable VDEs can be built by using different ligands.

Thermoluminescent response of LiF:Mg, Ti to low energy electrons

NASA Astrophysics Data System (ADS)

Mercado-Uribe, H.; Brandan, M. E.

2000-10-01

The dose response curve of LiF:Mg, Ti (TLD-100) exposed to 20 keV electrons from a scanning electron microscope has been measured. The total TL signal shows linear-supralinear behavior. The preliminary results indicate the onset of supralinearity at doses close to 70 Gy. The supralinear response is due to the increasingly important contribution of the high temperature peaks.

Efficiency study of a big volume well type NaI(Tl) detector by point and voluminous sources and Monte-Carlo simulation.

PubMed

Hansman, Jan; Mrdja, Dusan; Slivka, Jaroslav; Krmar, Miodrag; Bikit, Istvan

2015-05-01

The activity of environmental samples is usually measured by high resolution HPGe gamma spectrometers. In this work a set-up with a 9in.x9in. NaI well-detector with 3in. thickness and a 3in.×3in. plug detector in a 15-cm-thick lead shielding is considered as an alternative (Hansman, 2014). In spite of its much poorer resolution, it requires shorter measurement times and may possibly give better detection limits. In order to determine the U-238, Th-232, and K-40 content in the samples by this NaI(Tl) detector, the corresponding photopeak efficiencies must be known. These efficiencies can be found for certain source matrix and geometry by Geant4 simulation. We found discrepancy between simulated and experimental efficiencies of 5-50%, which can be mainly due to effects of light collection within the detector volume, an effect which was not taken into account by simulations. The influence of random coincidence summing on detection efficiency for radionuclide activities in the range 130-4000Bq, was negligible. This paper describes also, how the efficiency in the detector depends on the position of the radioactive point source. To avoid large dead time, relatively weak Mn-54, Co-60 and Na-22 point sources of a few kBq were used. Results for single gamma lines and also for coincidence summing gamma lines are presented. Copyright © 2015 Elsevier Ltd. All rights reserved.

Automatic Tuning Matching Cycler (ATMC) in situ NMR spectroscopy as a novel approach for real-time investigations of Li- and Na-ion batteries

NASA Astrophysics Data System (ADS)

Pecher, Oliver; Bayley, Paul M.; Liu, Hao; Liu, Zigeng; Trease, Nicole M.; Grey, Clare P.

2016-04-01

We have developed and explored the use of a new Automatic Tuning Matching Cycler (ATMC) in situ NMR probe system to track the formation of intermediate phases and investigate electrolyte decomposition during electrochemical cycling of Li- and Na-ion batteries (LIBs and NIBs). The new approach addresses many of the issues arising during in situ NMR, e.g., significantly different shifts of the multi-component samples, changing sample conditions (such as the magnetic susceptibility and conductivity) during cycling, signal broadening due to paramagnetism as well as interferences between the NMR and external cycler circuit that might impair the experiments. We provide practical insight into how to conduct ATMC in situ NMR experiments and discuss applications of the methodology to LiFePO4 (LFP) and Na3V2(PO4)2F3 cathodes as well as Na metal anodes. Automatic frequency sweep 7Li in situ NMR reveals significant changes of the strongly paramagnetic broadened LFP line shape in agreement with the structural changes due to delithiation. Additionally, 31P in situ NMR shows a full separation of the electrolyte and cathode NMR signals and is a key feature for a deeper understanding of the processes occurring during charge/discharge on the local atomic scale of NMR. 31P in situ NMR with "on-the-fly" re-calibrated, varying carrier frequencies on Na3V2(PO4)2F3 as a cathode in a NIB enabled the detection of different P signals within a huge frequency range of 4000 ppm. The experiments show a significant shift and changes in the number as well as intensities of 31P signals during desodiation/sodiation of the cathode. The in situ experiments reveal changes of local P environments that in part have not been seen in ex situ NMR investigations. Furthermore, we applied ATMC 23Na in situ NMR on symmetrical Na-Na cells during galvanostatic plating. An automatic adjustment of the NMR carrier frequency during the in situ experiment ensured on-resonance conditions for the Na metal and

Syntheses, crystal structures, and characterization of two new Tl+-Cu2+-Te6+ oxides: Tl4CuTeO6 and Tl6CuTe2O10

NASA Astrophysics Data System (ADS)

Yeon, Jeongho; Kim, Sang-Hwan; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Shiv Halasyamani, P.

2012-12-01

Crystals and polycrystalline powders of two new oxide materials, Tl4CuTeO6 and Tl6CuTe2O10, have been synthesized by hydrothermal and solid-state methods. The materials were structurally characterized by single-crystal X-ray diffraction. Tl4CuTeO6 and Tl6CuTe2O10 exhibit one dimensional anionic slabs of [CuTeO6]4- and [CuTe2O10]6-, respectively. Common to both slabs is the occurrence of Cu2+O4 distorted squares and Te6+O6 octahedra. The slabs are separated by Tl+ cations. For Tl4CuTeO6, magnetic measurements indicate a maximum at ∼8 K in the temperature dependence of the susceptibility. Low temperature neutron diffraction data confirm no long-range magnetic ordering occurs and the susceptibility was adequately accounted for by fits to a Heisenberg alternating chain model. For Tl6CuTe2O10 on the other hand, magnetic measurements revealed paramagnetism with no evidence of long-range magnetic ordering. Infrared, UV-vis spectra, thermogravimetric, and differential thermal analyses are also reported. Crystal data: Tl4CuTeO6, Triclinic, space group P-1 (No. 2), a=5.8629(8) Å, b=8.7848(11) Å, c=9.2572(12) Å, α=66.0460(10), β=74.2010(10), γ=79.254(2), V=417.70(9) Å3, and Z=2; Tl6CuTe2O10, orthorhombic, space group Pnma (No. 62), a=10.8628(6) Å, b=11.4962(7) Å, c=10.7238(6) Å, V=1339.20(13) Å3, and Z=4.

Automatic Tuning Matching Cycler (ATMC) in situ NMR spectroscopy as a novel approach for real-time investigations of Li- and Na-ion batteries

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

Pecher, Oliver; Bayley, Paul M.; Liu, Hao

We have developed and explored the use of a new Automatic Tuning Matching Cycler (ATMC) in situ NMR probe system to track the formation of intermediate phases and investigate electrolyte decomposition during electrochemical cycling of Li- and Na-ion batteries (LIBs and NIBs). The new approach addresses many of the issues arising during in situ NMR, e.g., significantly different shifts of the multi-component samples, changing sample conditions (such as the magnetic susceptibility and conductivity) during cycling, signal broadening due to paramagnetism as well as interferences between the NMR and external cycler circuit that might impair the experiments. We provide practical insightmore » into how to conduct ATMC in situ NMR experiments and discuss applications of the methodology to LiFePO4 (LFP) and Na3V2(PO4)2F3 cathodes as well as Na metal anodes. Automatic frequency sweep 7Li in situ NMR reveals significant changes of the strongly paramagnetic broadened LFP line shape in agreement with the structural changes due to delithiation. Additionally, 31P in situ NMR shows a full separation of the electrolyte and cathode NMR signals and is a key feature for a deeper understanding of the processes occurring during charge/discharge on the local atomic scale of NMR. 31P in situ NMR with “on-the-fly” re-calibrated, varying carrier frequencies on Na3V2(PO4)2F3 as a cathode in a NIB enabled the detection of different P signals within a huge frequency range of 4000 ppm. The experiments show a significant shift and changes in the number as well as intensities of 31P signals during desodiation/sodiation of the cathode. The in situ experiments reveal changes of local P environments that in part have not been seen in ex situ NMR investigations. Furthermore, we applied ATMC 23Na in situ NMR on symmetrical Na–Na cells during galvanostatic plating. An automatic adjustment of the NMR carrier frequency during the in situ experiment ensured on-resonance conditions for the Na metal

Room and low temperature luminescence properties of CaSO4: Dy , Tm codoped with Li

NASA Astrophysics Data System (ADS)

Can, N.; Karalı, T.; Wang, Y.; Townsend, P. D.; Prokic, M.; Canimoglu, A.

2009-08-01

Rare earths, especially Dy or Tm doped CaSO4 phosphors are actively studied. They have high sensitivity, a large dynamic range, thermal stability and ease of preparation. Nevertheless, they can be enhanced by inclusion of lithium and this study reports some effects of lithium co-dopant on the TL and radioluminescence (RL) emissions of two TL phosphors. Addition of Li as a co-dopant ion was made either during chemical preparation of the phosphors, or as a binder component mixed with the basic phosphors matrix during the process of pressing and sintering the TLD pellets.

Ab-Initio analysis of TlBr: limiting the ionic current without degrading the electronic one

NASA Astrophysics Data System (ADS)

Rocha Leao, Cedric; Lordi, Vincenzo

2011-03-01

Although TlBr in principle presents all the theoretical requirements for making high resolution room temperature radiation detectors, practical applications of TlBr have proven to be nonviable due to the polarization that is observed in the crystal after relatively short periods of operation. This polarization, that is believed to be caused by accumulation of oppositely charged ionic species at the ends of the crystal, results in an electric field that opposes that of the applied bias, counter-acting its effect. In this work, we use state of the art quantum modeling to benchmark the theoretical limits for the performance of TlBr as a radiation detector, showing that the best experimental reports demonstrate near-ideal electronic characteristics. We then propose a model to inhibit the detrimental ionic current in the material without impacting the excellent properties of the electronic current. Prepared by LLNL under Contract DE-AC52-07NA27344.

Comparison of Anion Reorientational Dynamics in MCB 9 H 10 and M 2 B 10 H 10 (M = Li, Na) via Nuclear Magnetic Resonance and Quasielastic Neutron Scattering Studies

DOE PAGES

Soloninin, Alexei V.; Dimitrievska, Mirjana; Skoryunov, Roman V.; ...

2016-12-13

The disordered phases of the 1-carba-closo-decaborates LiCB9H10 and NaCB9H10 exhibit the best solid-state ionic conductivities to date among all known polycrystalline competitors, likely facilitated in part by the highly orientationally mobile CB9H10- anions. We have undertaken both NMR and quasielastic neutron scattering (QENS) measurements to help characterize the monovalent anion reorientational mobilities and mechanisms associated with these two compounds and to compare their anion reorientational behaviors with those for the divalent B10H102- anions in the related Li2B10H10 and Na2B10H10 compounds. NMR data show that the transition from the low-T ordered to the high-T disordered phase for both LiCB9H10 and NaCB9H10more » is accompanied by a nearly two-orders-of-magnitude increase in the reorientational jump rate of CB9H10- anions. QENS measurements of the various disordered compounds indicate anion jump correlation frequencies on the order of 1010-1011 s-1 and confirm that NaCB9H10 displays jump frequencies about 60% to 120% higher than those for LiCB9H10 and Na2B10H10 at comparable temperatures. The Q-dependent quasielastic scattering suggests similar small-angular-jump reorientational mechanisms for the different disordered anions, changing from more uniaxial in character at lower temperatures to more multidimensional at higher temperatures, although still falling short of full three-dimensional rotational diffusion below 500 K within the nanosecond neutron window.« less

Comparison of experimental results of a Quad-CZT array detector, a NaI(Tl), a LaBr3(Ce), and a HPGe for safeguards applications

NASA Astrophysics Data System (ADS)

Kwak, S.-W.; Choi, J.; Park, S. S.; Ahn, S. H.; Park, J. S.; Chung, H.

2017-11-01

A compound semiconductor detector, CdTe (or CdZnTe), has been used in various areas including nuclear safeguards applications. To address its critical drawback, low detection efficiency, which leads to a long measurement time, a Quad-CZT array-based gamma-ray spectrometer in our previous study has been developed by combining four individual CZT detectors. We have re-designed the developed Quad-CZT array system to make it more simple and compact for a hand-held gamma-ray detector. The objective of this paper aims to compare the improved Quad-CZT array system with the traditional gamma-ray spectrometers (NaI(Tl), LaBr3(Ce), HPGe); these detectors currently have been the most commonly used for verification of nuclear materials. Nuclear materials in different physical forms in a nuclear facility of Korea were measured by the Quad-CZT array system and the existing gamma-ray detectors. For measurements of UO2 pellets and powders, and fresh fuel rods, the Quad-CZT array system turned out to be superior to the NaI(Tl) and LaBr3(Ce). For measurements of UF6 cylinders with a thick wall, the Quad-CZT array system and HPGe gave similar accuracy under the same measurement time. From the results of the field tests conducted, we can conclude that the improved Quad-CZT array system would be used as an alternative to HPGes and scintillation detectors for the purpose of increasing effectivenss and efficiency of safeguards applications. This is the first paper employing a multi-element CZT array detector for measurement of nuclear materials—particularly uranium in a UF6 cylinder—in a real nuclear facility. The present work also suggests that the multi-CZT array system described in this study would be one promising method to address a serious weakness of CZT-based radiation detection.

Characterization of Two Ton NaI Scintillator

NASA Astrophysics Data System (ADS)

Maier, Alleta; Coherent Collaboration

2017-09-01

The COHERENT collaboration is dedicated to measuring Coherent Elastic Neutrino-Nucleus Scattering (CE νNS), an interaction predicted by the standard model that ultimately serves as a background floor for dark matter detection. In the pursuit of observing the N2 scaling predicted, COHERENT is deploying two tons of NaI[Tl] detector to observe CE νNS recoils of sodium nuclei. Before the two tons of this NaI[Tl] scintillator are deployed, however, all crystals and PMTs must be characterized to understand the individual properties vital to precision in the measurement of CE νNS. This detector is also expected to allow COHERENT to observe charged current and CE νNS interactions with 127I. A standard operating procedure is developed to characterize each detector based on seven properties relevant to precision in the measurement of CE νNS: energy scale, energy resolution, low-energy light yield non-linearity, decay time energy dependence, position variance, time variance, and background levels. Crystals will be tested and characterized for these properties in the context of a ton-scale NaI[Tl] detector. Preliminary development of the SOP has allowed for greater understanding of optimization methods needed for characterization for the ton scale detector. TUNL, NSF, Duke University.

Luminescence characteristics of Dy3+ activated Na 2Sr 2Mg (BO 3)2F 2: Dy 3+ phosphor

NASA Astrophysics Data System (ADS)

Wani, Javaid A.; Dhoble, N. S.; Dhoble, S. J.

2012-11-01

In this paper, we have reported a new Na 2Sr 2Mg (BO 3)2F 2:Dy 3+ thermoluminescence (TL) phosphor prepared via the wet chemical method. Prepared phosphor was characterized by X-ray powder diffraction, photoluminescence (PL), TL and scanning electronmicroscopy techniques. The scanning electronmicroscopic image of Na 2Sr 2Mg (BO 3)2F 2:Dy 3+ phosphor confirms the micron size of particles. Under the PL study, the characteristic emission spectrum of Dy 3+ corresponding to 4F 9/2→6H 15/2 (481 nm) and 4F 9/2→6H 13/2 (576 nm) transitions was observed. The TL property of the as prepared phosphor was also found to be good. TL intensity of Na 2Sr2Mg(BO 3)F 2:Dy 3+ phosphors at 0.99 kGy exposure of γ-irradiations was compared with standard CaSO 4:Dy phosphor. It was seen that TL intensity of Na 2Sr 2Mg (BO 3)2F 2: Dy 3+ phosphors is 1.1 times less compared with the standard CaSO 4:Dy TL dosimeter phosphor. The kinetic parameters are also discussed in detail. The values of activation energy E (eV) and frequency factor S (s -1) were found to be 0.57 eV and 1.25×106 s-1, respectively.

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

PubMed Central

Lu, Fang-Min

2017-01-01

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

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

NASA Astrophysics Data System (ADS)

Fontes, Christopher J.; Zhang, Hong Lin

2017-01-01

Relativistic distorted-wave collision strengths have been calculated for all possible Δn = 0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤ 92. This choice produces 3 transitions with n = 2 in the Li-like and F-like ions, and 10 transitions with n = 3 in the Na-like ions. For the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E‧ = 0.008 , 0.04 , 0.10 , 0.21 , 0.41, and 0.75, where E‧ is in units of Zeff2 Ry with Zeff = Z - 1.66 for Li-like ions and Zeff = Z - 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E‧ = 0.0025 , 0.015 , 0.04 , 0.10 , 0.21, and 0.40, with Zeff = Z - 8.34. In the present calculations, an improved "top-up" method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb-Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. The collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

DOE PAGES

Fontes, Christopher J.; Zhang, Hong Lin

2017-01-01

We calculated relativistic distorted-wave collision strength for all possible Δn=0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤92. This choice produces 3 transitions with n=2 in the Li-like and F-like ions, and 10 transitions with n=3 in the Na-like ions. Moreover, for the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E'=0.008,0.04,0.10,0.21,0.41, and 0.75, where E' is in units of Zmore » $$2\\atop{eff}$$ Ry with Z eff = Z- 1.66 for Li-like ions and Z eff= Z- 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E'=0.0025,0.015,0.04,0.10,0.21, and 0.40, with Z eff = Z- 8.34. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. Finally, the collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.« less

The thermoluminescence study of epoxy based LiF:Mg,Cu,P dosimeters

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

Rahangdale, S. R., E-mail: sachin.rahangdale1@gmail.com; Palikundwar, U. A.; Moharil, S. V.

The LiF:Mg,Cu,P phosphor is the most investigated phosphor in radiation dosimetry. Results on thermoluminescence of the epoxy based LiF:Mg,Cu,P dosimeters irradiated with gamma radiations are presented and compared with results of LiF:Mg,Cu,P powder. The glow curve structure of both LiF powder and dosimeter are same and only difference is found in the glow curve peak temperature. The LiF dosimeters were made from the 5012A and 5012B epoxy. The dosimeters had a mass of about 18 mg, 5.0 mm diameter and 0.5 mm thickness. The sensitivity variation of the dosimeters for exposure to {sup 60}Co gamma rays at different angles of incidence of themore » radiation is found to be within 4%. Its minimum detectable dose is about 3020 µGy. The epoxy based dosimeters withstand different environment and it can be used with general TL reader without need of any special design due to its small size and plane surface.« less

Studies on the lithium transport across the red cell membrane. II. Characterization of ouabain-sensitive and ouabain-insensitive Li+ transport. Effects of bicarbonate and dipyridamole.

PubMed

Duhm, J; Becker, B F

1977-01-17

In studies on Li+ net-transport across the human red cell membrane following results were obtained: 1. In K+- and Na+-free choline chloride media, Li+ is transported into the erythrocytes against an electrochemical gradient. This Li+ uphill transport as well as Li+ downhill transport into the cells is inhibited by ouabain, ATP-depletion, and by external K+ and Na+. The effects of K+ and Na+ are relieved at high Li+ concentrations. 2. Ouabain-sensitive Li+ uptake, determined at 10 mM external Na+, does not obey simple Michaelis-Menten kinetics and exhibits a maximum at about pH 7. 3. Ouabain-resistant Li+ downhill transport into erythrocytes increases with rising pH. It is comprised of a saturating component and a component linearly dependent on external Li+. The linear component is partly inhibited by dipyridamole and accelerated by bicarbonate. The bicarbonate effect can be completely blocked by dipyridamole, phlorizin and phenylbutazone. 4. Li+ release is not inhibited by ouabain, ATP-depletion and external K+. It increases with external Na+ concentration, tending to saturate at 150 mM Na+. Na+-independent Li+ release is stimulated by bicarbonate. It is concluded that ouabain-sensitive Li+ uptake is mediated at the K+-site(s) of the Na+-K+ pump. Li+, K+ and Na+ appear to compete for a common site (or sites). The stimulation of Li+ transfer by bicarbonate and the inhibition by dipyridamole suggest a participation of anionic species in ouabain-resistant Li+ transfer. The Na+-dependent Li+ release and the "saturating component" of Li+ uptake are ascribed to the Na+-dependent Li+ countertransport system.

Electromodulation spectroscopy of excitons in simple cubic TlCl and TlBr

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

McClelland, J.F.; Lynch, D.W.

1979-03-15

Transmission and electromodulated transmission spectra have been measured in the direct Wannier exciton region for TlCl and TlBr. The spectra were obtained at a sample temperature between 5 and 6 K for a range of applied electric fields. The data have been reduced to obtain the electric-field-induced changes in the dielectric function and compared in detail to the calculations of Blossey. The experimental results support the trends predicted by the calculations.

NaI(Tl) scintillator detectors stripping procedure for air kerma measurements of diagnostic X-ray beams

NASA Astrophysics Data System (ADS)

Oliveira, L. S. R.; Conti, C. C.; Amorim, A. S.; Balthar, M. C. V.

2013-03-01

Air kerma is an essential quantity for the calibration of national standards used in diagnostic radiology and the measurement of operating parameters used in radiation protection. Its measurement within the appropriate limits of accuracy, uncertainty and reproducibility is important for the characterization and control of the radiation field for the dosimetry of the patients submitted to diagnostic radiology and, also, for the assessment of the system which produces radiological images. Only the incident beam must be considered for the calculation of the air kerma. Therefore, for energy spectrum, counts apart the total energy deposition in the detector must be subtracted. It is necessary to establish a procedure to sort out the different contributions to the original spectrum and remove the counts representing scattered photons in the detector's materials, partial energy deposition due to the interactions in the detector active volume and, also, the escape peaks contributions. The main goal of this work is to present spectrum stripping procedure, using the MCNP Monte Carlo computer code, for NaI(Tl) scintillation detectors to calculate the air kerma due to an X-ray beam usually used in medical radiology. The comparison between the spectrum before stripping procedure against the reference value showed a discrepancy of more than 63%, while the comparison with the same spectrum after the stripping procedure showed a discrepancy of less than 0.2%.

Electromechanical properties of A-site (LiCe)-modified sodium bismuth titanate (Na0.5Bi4.5Ti4O15) piezoelectric ceramics at elevated temperature

NASA Astrophysics Data System (ADS)

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

2009-05-01

The Aurivillius-type bismuth layer-structured (NaBi)0.46(LiCe)0.04Bi4Ti4O15 (NBT-LiCe) piezoelectric ceramics were synthesized using conventional solid-state processing. Phase analysis was performed by x-ray diffraction and microstructural morphology was assessed by scanning electron microscopy. The dielectric, piezoelectric, ferroelectric, and electromechanical properties of NBT-LiCe ceramics were investigated. The piezoelectric activities were found to be significantly enhanced compared to NBT ceramics, which can be attributed to the lattice distortion and the presence of bismuth vacancies. The dielectric and electromechanical properties of NBT-LiCe ceramics at elevated temperature were investigated in detail. The excellent piezoelectric, dielectric, and electromechanical properties, coupled with high Curie temperature (Tc=660 °C), demonstrated that the NBT-LiCe ceramics are the promising candidates for high temperature applications.

[Tl(III)(dota)](-): An Extraordinarily Robust Macrocyclic Complex.

PubMed

Fodor, Tamás; Bányai, István; Bényei, Attila; Platas-Iglesias, Carlos; Purgel, Mihály; Horváth, Gábor L; Zékány, László; Tircsó, Gyula; Tóth, Imre

2015-06-01

The X-ray structure of {C(NH2)3}[Tl(dota)]·H2O shows that the Tl(3+) ion is deeply buried in the macrocyclic cavity of the dota(4-) ligand (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) with average Tl-N and Tl-O distances of 2.464 and 2.365 Å, respectively. The metal ion is directly coordinated to the eight donor atoms of the ligand, which results in a twisted square antiprismatic (TSAP') coordination around Tl(3+). A multinuclear (1)H, (13)C, and (205)Tl NMR study combined with DFT calculations confirmed the TSAP' structure of the complex in aqueous solution, which exists as the Λ(λλλλ)/Δ(δδδδ) enantiomeric pair. (205)Tl NMR spectroscopy allowed the protonation constant associated with the protonation of the complex according to [Tl(dota)](-) + H(+) ⇆ [Tl(Hdota)] to be determined, which turned out to be pK(H)Tl(dota) = 1.4 ± 0.1. [Tl(dota)](-) does not react with Br(-), even when using an excess of the anion, but it forms a weak mixed complex with cyanide, [Tl(dota)](-) + CN(-) ⇆ [Tl(dota)(CN)](2-), with an equilibrium constant of Kmix = 6.0 ± 0.8. The dissociation of the [Tl(dota)](-) complex was determined by UV-vis spectrophotometry under acidic conditions using a large excess of Br(-), and it was found to follow proton-assisted kinetics and to take place very slowly (∼10 days), even in 1 M HClO4, with the estimated half-life of the process being in the 10(9) h range at neutral pH. The solution dynamics of [Tl(dota)](-) were investigated using (13)C NMR spectroscopy and DFT calculations. The (13)C NMR spectra recorded at low temperature (272 K) point to C4 symmetry of the complex in solution, which averages to C4v as the temperature increases. This dynamic behavior was attributed to the Λ(λλλλ) ↔ Δ(δδδδ) enantiomerization process, which involves both the inversion of the macrocyclic unit and the rotation of the pendant arms. According to our calculations, the arm-rotation process limits the Λ(λλλλ) ↔ �

Simmonsite, Na2LiAlF6, a new mineral from the Zapot amazonite-topazzinnwaldite pegmatite, Hawthorne, Nevada, U.S.A

USGS Publications Warehouse

Foord, E.E.; O'Connor, J. T.; Hughes, J.M.; Sutley, S.J.; Falster, A.U.; Soregaroli, A.E.; Lichte, F.E.; Kile, D.E.

1999-01-01

Simmonsite, Na2LiAlF6, a new mineral of pegmatitic-hydrothermal origin, occurs in a late-stage breccia pipe structure that cuts the Zapot amazonite-topaz-zinnvvaldite pegmatite located in the Gillis Range, Mineral Co., Nevada, U.S.A. The mineral is intimately intergrown with cryolite, cryolithionite and trace elpasolite. A secondary assemblage of other alumino-fluoride minerals and a second generation of cryolithionite has formed from the primary assemblage. The mineral is monoclinic, P21 or P21/m, a = 7.5006(6) A??, b = 7.474(1) A??, c = 7.503(1) A??, ??= 90.847(9) ??, V=420.6(1) A??3, Z = 4. The four strongest diffraction maxima [d(A??), likl, I/I100] are (4.33, 111 and 111, 100); (1.877, 400 and 004, 90); (2.25, 13T, 113, 131 and 311, 70); and (2.65, 220, 202, 022, 60). Simmonsite is pale buff cream with white streak, somewhat greasy, translucent to transparent, Mohs hardness of 2.5-3, no distinct cleavage, subconchoidal fracture, no parting, not extremely brittle, Dm is 3.05(2) g/cm3, and Dc is 3.06(1) g/cm3. The mineral is biaxial, very nearly Isotropie, N is 1.359(1) for ?? = 589 nm, and birefringence is 0.0009. Electron microprobe analyses gave (wt%) Na = 23.4, Al = 13.9, F = 58.6, Li = 3.56 (calculated), with a total of 99.46. The empirical formula (based on 6 F atoms) is Na1.98Li1.00 ooAl|ooF6. The crystal structure was not solved, presumably because of unit-cell scale twinning, but similarities to the perovskite-type structure exist. The mineral is named for William B. Simmons, Professor of Mineralogy and Petrology, University of New Orleans, New Orleans.

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

PubMed

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.

TL and EPR studies of Cu, Ag and P doped Li2B4O7 phosphor

NASA Astrophysics Data System (ADS)

Can, N.; Karali, T.; Townsend, P. D.; Yildiz, F.

2006-05-01

Key characteristics of a newly prepared tissue-equivalent, highly sensitive thermoluminescence dosimeter, Li2B4O7:Cu,Ag,P, are presented. The material was developed at the Institute of Nuclear Sciences, Belgrade, in the form of sintered pellets. A new preparation procedure has greatly increased the sensitivity of the basic copper activated lithium borate and the glow curve of Li2B4O7 : Cu,Ag,P consists of a well-defined main dosimetric peak situated at about 460-465 K with a sensitivity which is about four to five times higher than that of LiF : Mg,Ti (TLD-100). The exceptionally good response features of Li2B4O7 : Cu,Ag,P are attributed to the incorporation of Cu as a dopant. Both low and high temperature emission spectra are presented and the origins of the various emission bands are considered. Additional data are provided from electron paramagnetic resonance measurements.

Optimal formation and enhanced superconductivity of Tl-1212 phase (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7

NASA Astrophysics Data System (ADS)

Ranjbar, M. G.; Ghoranneviss, Mahmood; Abd-Shukor, R.

2018-06-01

The effect of heating temperature on the formation of Tl-1212 phase with nominal starting composition (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7 (Tl-1212) is reported. The Ba-bearing Tl-1212 phase is normally prepared at around 900 °C while with Sr-bearing sample is prepared at a much higher temperature of around 1000 °C. This work was conducted to determine the optimal temperature to synthesis the Tl-1212 phase when the sample contains Ba and Sr with 1:1 ratio. (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7 samples were prepared using the solid-state reaction method via the precursor route. In the final preparation stage, the samples were heated at 850, 870, 900, 920, 950, 970 and 1000 °C in oxygen flow. X-Ray diffraction patterns showed that most samples consisted of a mixed (Tl0.6Pb0.4)(Ba,Sr)Ca2Cu3O9 (Tl-1223) and Tl-1212 phase except for the sample heated at 970 °C which showed a single Tl-1212 phase and the sample heated at 850 °C which showed the Tl-1223 phase. The transition temperature measured by four-probe method showed that the sample heated at 970 °C exhibited the highest onset temperature of 118 K and zero-resistance temperature of 100 K. This transition temperature is higher than the usually reported value for the Tl-1212 phase. AC susceptibility measurements also showed the 970 °C heated sample with the highest transition temperature T c χ' = 109 K. The interplay of ionic radius (Ba2+ and Sr2+) decreases of the unit cell volume and changes in the internal lattice strain enhanced the transition temperature and the formation of the Tl-1212 phase.

DFT Predictions of Electronic, Transport, and Bulk Properties of Cubic Antifluorite A2B Compounds (A = Li, Na, B = O,S,Se)

NASA Astrophysics Data System (ADS)

Malozovsky, Yuriy; Franklin, Lashounda; Bagayoko, Diola

We present results from ab-initio,self-consistent calculations of electronic, transport, and bulk properties of cubic antifluorite (anti-CaF2) compounds A2B (A = Li, Na, B = O, S, Se). Our computations employed the local density approximation (LDA) potential of Ceperley and Alder and the linear combination of atomic orbital (LCAO) formalism. The implementation of the LCAO formalism followed the Bagayoko, Zhao, and Williams method, as enhanced by Ekuma and Franklin (BZW-EF). Consequently, our calculations search for and attained the ground states of the systems under study, as required by DFT; our results therefore possess the full, physical content of DFT. We discuss band structures, band gaps, and related properties of these materials, including calculated, total and partial densities of states (DOS and PDOS), effective masses of charge carriers, equilibrium lattice constants, and the bulk moduli of cubic antifluorite compounds A2B (A = Li, Na, B = O, S, Se). Our results are predictions in some cases, due to the lack of experimental data. Work funded in part by the US Department of Energy (DOE), National Nuclear Security Administration (NNSA) (Award No.DE-NA0002630), the National Science Foundation (NSF) (Award No, 1503226), LaSPACE, and LONI-SUBR.

cathode material for Li-ion batteries

NASA Astrophysics Data System (ADS)

Wang, Yanming; Wang, Yajing; Wang, Fei

2014-05-01

Well-crystallized Li2NiTiO4 nanoparticles are rapidly synthesized by a molten salt method using a mixture of NaCl and KCl salts. X-ray diffraction pattern and scanning electron microscopic image show that Li2NiTiO4 has a cubic rock salt structure with an average particle size of ca. 50 nm. Conductive carbon-coated Li2NiTiO4 is obtained by a facile ball milling method. As a novel 4 V positive cathode material for Li-ion batteries, the Li2NiTiO4/C delivers high discharge capacities of 115 mAh g-1 at room temperature and 138 mAh g-1 and 50°C, along with a superior cyclability.

Potential energy distribution (PED) analysis of DFT calculated IR spectra of the most stable Li, Na, and Cu(I) diformate molecules

NASA Astrophysics Data System (ADS)

Jamróz, M. H.; Dobrowolski, J. Cz.

2001-05-01

For the most stable Li, Na, and Cu(I) diformates we present the vibrational spectra, supported by potential energy distribution (PED) analysis, and the interaction energies between formic acid and metal formate by the DFT (B3PW91) method. PED analysis of the theoretical spectra forms the basis for the elucidation of the future matrix isolation IR spectra.

Enhanced tolerance to NaCl and LiCl stresses by over-expressing Caragana korshinskii sodium/proton exchanger 1 (CkNHX1) and the hydrophilic C terminus is required for the activity of CkNHX1 in Atsos3-1 mutant and yeast

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

Yang, Da-Hai, E-mail: gresea_young@hotmail.com; Department of Plant Physiology, Institute of General Botany and Plant Physiology, Friedrich-Schiller-University, Dornburger Strasse 159, 07743 Jena; Song, Li-Ying, E-mail: lysong@genetics.ac.cn

2012-01-13

Highlights: Black-Right-Pointing-Pointer CkNHX1 was isolated from Caragana korshinskii. Black-Right-Pointing-Pointer CkNHX1 was expressed mainly in roots, and significantly induced by NaCl in stems. Black-Right-Pointing-Pointer Expression of CkNHX1 enhanced the resistance to NaCl and LiCl in yeast and Atsos3-1. Black-Right-Pointing-Pointer Expression of CkNHX1-{Delta}C had little effect on NaCl/LiCl tolerance in Atsos3-1. Black-Right-Pointing-Pointer C-terminal region of CkNHX1 is required for its Na{sup +} and Li{sup +} transporting activity. -- Abstract: Sodium/proton exchangers (NHX antiporters) play important roles in plant responses to salt stress. Previous research showed that hydrophilic C-terminal region of Arabidopsis AtNHX1 negatively regulates the Na{sup +}/H{sup +} transporting activity. In thismore » study, CkNHX1 were isolated from Caragana korshinskii, a pea shrub with high tolerance to salt, drought, and cold stresses. Transcripts of CkNHX1 were detected predominantly in roots, and were significantly induced by NaCl stress in stems. Transgenic yeast and Arabidopsisthalianasos3-1 (Atsos3-1) mutant over-expressing CkNHX1 and its hydrophilic C terminus-truncated derivative, CkNHX1-{Delta}C, were generated and subjected to NaCl and LiCl stresses. Expression of CkNHX1 significantly enhanced the resistance to NaCl and LiCl stresses in yeast and Atsos3-1 mutant. Whereas, compared with expression of CkNHX1, the expression of CkNHX1-{Delta}C had much less effect on NaCl tolerance in Atsos3-1 and LiCl tolerance in yeast and Atsos3-1. All together, these results suggest that the predominant expression of CkNHX1 in roots might contribute to keep C. korshinskii adapting to the high salt condition in this plant's living environment; CkNHX1 could recover the phenotype of Atsos3-1 mutant; and the hydrophilic C-terminal region of CkNHX1 should be required for Na{sup +}/H{sup +} and Li{sup +}/H{sup +} exchanging activity of CkNHX1.« less

Troublesome Knowledge of SoTL

ERIC Educational Resources Information Center

Manarin, Karen; Abrahamson, Earle

2016-01-01

This study explores the Scholarship of Teaching and Learning (SoTL) as a form of troublesome knowledge (Perkins 1999) that continues to trouble its practitioners. Forty-eight higher education professionals from six countries described their understanding of SoTL in an online survey; ten individuals participated in follow-up interviews to consider…

Principles of Good Practice in SoTL

ERIC Educational Resources Information Center

Felten, Peter

2013-01-01

For the Scholarship of Teaching and Learning (SoTL) to be understood as significant intellectual work in the academy, SoTL practitioners need to identify shared principles of good practice. While honoring the diversity of SoTL in its many forms across the globe, such principles can serve as a heuristic for assessing work in our field. These…

Facile molten salt synthesis of Li2NiTiO4 cathode material for Li-ion batteries.

PubMed

Wang, Yanming; Wang, Yajing; Wang, Fei

2014-01-01

Well-crystallized Li2NiTiO4 nanoparticles are rapidly synthesized by a molten salt method using a mixture of NaCl and KCl salts. X-ray diffraction pattern and scanning electron microscopic image show that Li2NiTiO4 has a cubic rock salt structure with an average particle size of ca. 50 nm. Conductive carbon-coated Li2NiTiO4 is obtained by a facile ball milling method. As a novel 4 V positive cathode material for Li-ion batteries, the Li2NiTiO4/C delivers high discharge capacities of 115 mAh g(-1) at room temperature and 138 mAh g(-1) and 50°C, along with a superior cyclability.

Facile molten salt synthesis of Li2NiTiO4 cathode material for Li-ion batteries

PubMed Central

2014-01-01

Well-crystallized Li2NiTiO4 nanoparticles are rapidly synthesized by a molten salt method using a mixture of NaCl and KCl salts. X-ray diffraction pattern and scanning electron microscopic image show that Li2NiTiO4 has a cubic rock salt structure with an average particle size of ca. 50 nm. Conductive carbon-coated Li2NiTiO4 is obtained by a facile ball milling method. As a novel 4 V positive cathode material for Li-ion batteries, the Li2NiTiO4/C delivers high discharge capacities of 115 mAh g-1 at room temperature and 138 mAh g-1 and 50°C, along with a superior cyclability. PMID:24855459

Processing of Piezoelectric (Li,Na,K)NbO3 Porous Ceramics and (Li,Na,K)NbO3/KNbO3 Composites

NASA Astrophysics Data System (ADS)

Kakimoto, Ken-ichi; Imura, Tomoya; Fukui, Yasuchika; Kuno, Masami; Yamagiwa, Katsuya; Mitsuoka, Takeshi; Ohbayashi, Kazushige

2007-10-01

Porous Li0.06(Na0.5K0.5)0.94NbO3 (LNKN-6) ceramics with different pore volumes have been prepared using preceramic powder and phenol resin fiber (KynolTM) as a pore former. It was confirmed that the porous ceramics synthesized by the “two-stage firing method” suppressed the loss of alkali elements from the porous body during heat treatment. The porous LNKN-6 ceramics were then converted to LNKN-6/KNbO3 composites through soaking and heat treatment using a sol-gel precursor source composed of KNbO3 to form 3-3-type composites. The microstructure, dielectric, and piezoelectric properties of the porous LNKN-6 ceramics and LNKN-6/KNbO3 composites were characterized and compared. The LNKN-6/KNbO3 composites had a hollow structure whose pores in the region near the surface were filled and coated with KNbO3 precipitates; however, a large amount of residual air was trapped in the pores inside the composites. As a result, the LNKN-6/KNbO3 composites fabricated using 30 vol % KynolTM showed an enhanced piezoelectric voltage output coefficient (g33) of 63.0× 10-3 V\\cdotm/N, compared with monolithic LNKN-6 ceramics having a g33 of 30.2× 10-3 V\\cdotm/N.

Bio-solid-State processes for synthesis of Li-Fe-phosphate.

PubMed

Kim, Hyoung-Bum; Park, Byungno; Lee, Insung; Roh, Yul

2008-10-01

Lithium-Fe-phosphates have become of great interest as storage cathodes for rechargeable Li-batteries because of their high density, environmental friendliness, and safety. The objective of this study was to examine bio-solid-state synthesis of LiFePO4 by microbial processes at room temperature. The microbial reduction of Fe(III)-citrate using an organic carbon, glucose, as an electron donor in the presence of NaHPO4 and lithium that resulted in the formation of Li-substituted iron phosphate. Our studies showed that bacteria enriched from inter-tidal flat sediments, designated as Haejae-1, synthesized Li-substituted iron phosphate. Characterization by X-ray diffraction showed the reduction of Fe(III)-citrate in the presence of NaHPO4 and LiCl2 resulted in the precipitation of Li-substituted vivianite [Li(x)Fe(3-x)(PO4)2 x 8H2O]. SEM-EDX, FTIR, and ESCA analyses showed the chemical composition of the synthesized phases was Li, Fe, P, C, and O. Based on the chemical and physical structure of the mineral, the novel bio-nano-material may be potentially useful to the development of energy storage materials.

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO4:Dy TL material

NASA Astrophysics Data System (ADS)

Kamarudin, Nadira; Abdullah, Wan Saffiey Wan; Hamid, Muhammad Azmi Abdul; Dollah, Mohd Taufik

2014-09-01

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO4) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO4 with average crystallite size of 74 nm with orthorhombic crystal system. The TL behavior of produced CaSO4:Dy was studied using a TLD reader after exposure to gamma ray by Co60 source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.

Recent Development of TlBr Gamma-Ray Detectors

NASA Astrophysics Data System (ADS)

Hitomi, Keitaro; Tada, Tsutomu; Kim, Seong-Yun; Wu, Yan; Tanaka, Tomonobu; Shoji, Tadayoshi; Yamazaki, Hiromichi; Ishii, Keizo

2011-08-01

Planar detectors, strip detectors, and double-sided strip detectors were fabricated from TlBr crystals grown by the traveling molten zone method using zone-purified material. The detector performance including the leakage current, energy resolutions, and timing performance were evaluated in order to assess the capability of the detectors for PET and SPECT applications. The TlBr detectors exhibited excellent spectroscopic performance at room temperature. An energy resolution of 3.4% FWHM at 511 keV was obtained from a TlBr planar detector 1 mm thick. A TlBr strip detector 1 mm thick with four anode strip electrodes exhibited almost uniform detector performance over the strips with the average energy resolution of 4.4% FWHM at 511 keV. A TlBr double-sided strip detector exhibited an energy resolution of 6.3% FWHM for 122 keV gamma-rays. Coincidence timing spectra between a TlBr planar detector and a BaF2 scintillation detector were recorded at room temperature. Timing resolutions of 14 ns and 24 ns were obtained from TlBr detectors 0.5 mm and 1 mm thick, respectively. By cooling the detector to 0° C, an improved timing resolution of 12 ns was obtained from a TlBr detector 1 mm thick.

Phase and Physicochemical Properties Diagrams of Quaternary System Li2B4O7 + Na2B4O7 + Mg2B6O11 + H2O

NASA Astrophysics Data System (ADS)

Wang, Shi-qiang; Du, Xue-min; Jing, Yan; Guo, Ya-fei; Deng, Tian-long

2017-12-01

The phase and physicochemical properties diagrams of the quaternary system (Li2B4O7 + Na2B4O7 + Mg2B6O11) at 288.15 K and 0.1 MPa were constructed using the solubilities, densities, and refractive indices measured. In the phase diagrams of the system there are one invariant point, three univariant isothermic dissolution curves, and three crystallization regions corresponding to Li2B4O7 · 3H2O, Na2B4O7 · 10H2O, and Mg2B6O11 · 15H2O, respectively. The solution density, refractive index of the quaternary system changes regularly with the increasing of Li2B4O7 concentration. The calculated values of density and refractive index using empirical equations of the quaternary system are in good agreement with the experimental values.

Evaluation of [(201)Tl](III) Vancomycin in normal rats.

PubMed

Jalilian, Amir Reza; Hosseini, Mohammad Amin; Majdabadi, Abbas; Saddadi, Fariba

2008-01-01

Tl-201 has potential in the preparation of radiolabelled compounds similar to its homologues, like In-111 and radiogallium. In this paper, recently prepared [(201)Tl](III) vancomycin complex ([(201)Tl](III)VAN) has been evaluated for its biological properties. [(201)Tl](III)VAN was prepared according to the optimized conditions followed by biodistribution studies in normal rats for up to 52 h. The Staphylococcus aurous specific binding was checked in vitro. The complex was finally injected to normal rats. Tracer SPECT images were obtained in normal animals and compared to those of (67)Ga-citrate. Freshly-prepared [(201)Tl](III)VAN batches (radiochemical yield > 99%, radiochemical purity > 98%, specific activity approximately 1.2 Ci/mmol) showed a similar biodistribution to that of unlabeled vancomycin. The microorganism binding ratios were 3 and 9 for tracer (201)Tl(3+) and tracer (201)Tl(III)DTPA, respectively, suggesting the preservation of the tracer bioactivity. As a nonspecific cell penetrating tracer, [(201)Tl](III)DTPA was used.

Alpha particle and proton relative thermoluminescence efficiencies in LiF:Mg,Cu,P:is track structure theory up to the task?

PubMed

Horowitz, Y S; Siboni, D; Oster, L; Livingstone, J; Guatelli, S; Rosenfeld, A; Emfietzoglou, D; Bilski, P; Obryk, B

2012-07-01

Low-energy alpha particle and proton heavy charged particle (HCP) relative thermoluminescence (TL) efficiencies are calculated for the major dosimetric glow peak in LiF:Mg,Cu,P (MCP-N) in the framework of track structure theory (TST). The calculations employ previously published TRIPOS-E Monte Carlo track segment values of the radial dose in condensed phase LiF calculated at the Instituto National de Investigaciones Nucleares (Mexico) and experimentally measured normalised (60)Co gamma-induced TL dose-response functions, f(D), carried out at the Institute of Nuclear Physics (Poland). The motivation for the calculations is to test the validity of TST in a TL system in which f(D) is not supralinear (f(D) >1) and is not significantly dependent on photon energy contrary to the behaviour of the dose-response of composite peak 5 in the glow curve of LiF:Mg,Ti (TLD-100). The calculated HCP relative efficiencies in LiF:MCP-N are 23-87% lower than the experimentally measured values, indicating a weakness in the major premise of TST which exclusively relates HCP effects to the radiation action of the secondary electrons liberated by the HCP slowing down. However, an analysis of the uncertainties involved in the TST calculations and experiments (i.e. experimental measurement of f(D) at high levels of dose, sample light self-absorption and accuracy in the estimation of D(r), especially towards the end of the HCP track) indicate that these may be too large to enable a definite conclusion. More accurate estimation of sample light self-absorption, improved measurements of f(D) and full-track Monte Carlo calculations of D(r) incorporating improvements of the low-energy electron transport are indicated in order to reduce uncertainties and enable a final conclusion.

The mechanism of lithium carbonate-induced augmentation of colony-stimulating activity elaboration in man.

PubMed

Verma, D S; Johnston, D A; Spitzer, G; Zander, A R; Dicke, K A; McCredie, K B

1982-01-01

Lithium carbonate (Li) has been reported to elevate granulocyte counts in patients with certain neutropenic disorders and to improve chemotherapy-induced granulocytopenia. To investigate the mechanisms involved in the increase in myelopoiesis, the effect of Li on monocytemacrophage (M phi)- and T-lymphocyte (TL)-derived colony-stimulating activity (CSA) were studied in vitro. Li induced a dose-related increase in both M phi- and TL-derived CSA over that in non-Li-stimulated cell populations. However, the increase was significant (p less than 0.007) only at a higher concentration of Li (2 mEq/l). The results of co-incubating TL with M phi with or without Li indicated that Li significantly enhanced synergistic CSA production by the two cell populations (p less than 0.02). We further demonstrated the presence of a larger proportion of M phi with TL rosettes in the presence of Li (62%) than in its absence (21%). Further experiments with concanavalin A (Con-A)-inducible suppressor TL suggested that Li effectively blocks the suppressor TL-mediated suppression of CSA. These data suggest that Li enhances M phi and TL interaction which results in an augmented CSA elaboration. Further, Li would be more effective in those neutropenic disorders associated with enhanced suppressor TL activity. For an optimal effect, however, Li would require appropriately functioning M phi and non-suppressor subsets of TL and an intact stem cell pool.

Tl And Osl Response Of Turquoise For Dosimetric Application

NASA Astrophysics Data System (ADS)

Subedi, B.; Afouxenidis, D.; Polymeris, G. S.; Tsirlignanis, N.; Paraskevopoulos, K. M.; Kitis, G.

Turquoise is one of the amongst first gem stones used in jewelry and possessing cultural value since 2000 BC (at least). This work attempts characterize this stone scientifically using both thermally (TL) and optically stimulated luminescence (OSL) techniques. The experimental investigation included 1) the study of the natural TL and OSL signals, 2) the reproducibility of TL sensitivity over repeated irradiation and TL readout cycles, 3) dependence of sensitivity on annealing temperatures and 4) the TL and OSL dose response curves. The potential use of the TL and OSL techniques in determination of provenance, accidental dosimetry and probably to authenticity and dating purposes are then discussed.

Characteristic of molten fluoride salt system LiF-BeF2 (Flibe) and LiF-NaF-KF (Flinak) as coolant and fuel carrier in molten salt reactor (MSR)

NASA Astrophysics Data System (ADS)

Bahri, Che Nor Aniza Che Zainul; Al-Areqi, Wadee'ah Mohd; Ruf, Mohd'Izzat Fahmi Mohd; Majid, Amran Ab.

2017-01-01

Interest of fluoride salts have recently revived due to the high temperature application in nuclear reactors. Molten Salt Reactor (MSR) was designed to operate at high temperature in range 700 - 800°C and its fuel is dissolved in a circulating molten fluoride salt mixture. Molten fluoride salts are stable at high temperature, have good heat transfer properties and can dissolve high concentration of actinides and fission product. The aim of this paper was to discuss the physical properties (melting temperature, density and heat capacity) of two systems fluoride salt mixtures i.e; LiF-BeF2 (Flibe) and LiF-NaF-KF (Flinak) in terms of their application as coolant and fuel solvent in MSR. Both of these salts showed almost same physical properties but different applications in MSR. The advantages and the disadvantages of these fluoride salt systems will be discussed in this paper.

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

NASA Astrophysics Data System (ADS)

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).

Coordination trends in alkali metal crown ether uranyl halide complexes: the series [A(crown)]2[UO(2)X(4)] where A=Li, Na, K and X=Cl, Br.

PubMed

Danis, J A; Lin, M R; Scott, B L; Eichhorn, B W; Runde, W H

2001-07-02

UO(2)(C(2)H(3)O(2))(2).2H(2)O reacts with AX or A(C(2)H(3)O(2) or ClO(4)) (where A = Li, Na, K; X = Cl, Br) and crown ethers in HCl or HBr aqueous solutions to give the sandwich-type compounds [K(18-crown-6)](2)[UO(2)Cl(4)] (1), [K(18-crown-6)](2)[UO(2)Br(4)] (2), [Na(15-crown-5)](2)[UO(2)Cl(4)] (3), [Na(15-crown-5)](2)[UO(2)Br(4)] (4), [Li(12-crown-4)](2)[UO(2)Cl(4)] (5), and [Li(12-crown-4)](2)[UO(2)Br(4)] (6). The compounds have been characterized by single-crystal X-ray diffraction, powder diffraction, elemental analysis, IR, and Raman spectroscopy. The [UO(2)X(4)](2-) ions coordinate to two [A(crown)](+) cations through the four halides only (2), through two halides only (3), through the two uranyl oxygens and two halides (3, 4), or through the two uranyl oxygen atoms only (5, 6). Raman spectra reveal nu(U-O) values that correlate with expected trends. The structural trends are discussed within the context of classical principles of hard-soft acid-base theory.

Measuring the dependence of the decay curve on the electron energy deposit in NaI(Tl)

NASA Astrophysics Data System (ADS)

Choong, W.-S.; Bizarri, G.; Cherepy, N. J.; Hull, G.; Moses, W. W.; Payne, S. A.

2011-08-01

We report on the first measurement of the decay times of NaI(Tl) as a function of the deposited electron energy. It has been suggested that the decay curve depends on the ionization density, which is correlated with the electron energy deposit in the scintillator. The ionization creates excitation states, which can decay radiatively and non-radiatively through a number of competing processes. As a result, the rate at which the excitation decays depends on the ionization density. A measurement of the decay curve as a function of the ionization density will allow us to probe the kinetic rates of the competing processes. The Scintillator Light Yield Non-proportionality Characterization Instrument (SLYNCI) measures the electron response of scintillators utilizing fast sampling ADCs to digitize the raw signals from the detectors, and so can provide a measurement of the light pulse shape from the scintillator. Using data collected with the SLYNCI instrument, the intrinsic scintillation profile is extracted on an event-by-event basis by deconvolving the raw signal with the impulse response of the system. Scintillation profiles with the same electron energy deposit are summed to obtain decay curves as a function of the deposited electron energy. The decay time constants are obtained by fitting the decay curves with a two-component exponential decay. While a slight dependence of the decay time constants on the electron energy deposit is observed, the results are not statistically significant.

Navigating the IRB: The Ethics of SoTL

ERIC Educational Resources Information Center

Martin, Ryan C.

2013-01-01

This chapter discusses Institutional Review Boards (IRBs) as they apply to the SoTL. Specifically, it describes when SoTL projects must receive IRB approval, why they must get IRB approval, the review process, and some special issues of concern with regard to SoTL.

On the use of LiF:Mg,Ti thermoluminescence dosemeters in space--a critical review.

PubMed

Horowitz, Y S; Satinger, D; Fuks, E; Oster, L; Podpalov, L

2003-01-01

The use of LiF:Mg,Ti thermoluminescence dosemeters (TLDs) in space radiation fields is reviewed. It is demonstrated in the context of modified track structure theory and microdosimetric track structure theory that there is no unique correlation between the relative thermoluminescence (TL) efficiency of heavy charged particles, neutrons of all energies and linear energy transfer (LET). Many experimental measurements dating back more than two decades also demonstrate the multivalued, non-universal, relationship between relative TL efficiency and LET. It is further demonstrated that the relative intensities of the dosimetric peaks and especially the high-temperature structure are dependent on a large number of variables, some controllable, some not. It is concluded that TL techniques employing the concept of LET (e.g. measurement of total dose, the high-temperature ratio (HTR) methods and other combinations of the relative TL efficiency of the various peaks used to estimate average Q or simulate Q-LET relationships) should be regarded as lacking a sound theoretical basis, highly prone to error and, as well, lack of reproducibility/universality due to the absence of a standardised experimental protocol essential to reliable experimental methodology.

Chronic lithium treatment up-regulates cell surface Na(V)1.7 sodium channels via inhibition of glycogen synthase kinase-3 in adrenal chromaffin cells: enhancement of Na(+) influx, Ca(2+) influx and catecholamine secretion after lithium withdrawal.

PubMed

Yanagita, Toshihiko; Maruta, Toyoaki; Nemoto, Takayuki; Uezono, Yasuhito; Matsuo, Kiyotaka; Satoh, Shinya; Yoshikawa, Norie; Kanai, Tasuku; Kobayashi, Hideyuki; Wada, Akihiko

2009-09-01

In cultured bovine adrenal chromaffin cells expressing Na(V)1.7 isoform of voltage-dependent Na(+) channels, we have previously reported that lithium chloride (LiCl) inhibits function of Na(+) channels independent of glycogen synthase kinase-3 (GSK-3) (Yanagita et al., 2007). Here, we further examined the effects of chronic lithium treatment on Na(+) channels. LiCl treatment (1-30 mM, > or = 12 h) increased cell surface [(3)H]saxitoxin ([(3)H]STX) binding by approximately 32% without altering the affinity of [(3)H]STX binding. This increase was prevented by cycloheximide and actinomycin D. SB216763 and SB415286 (GSK-3 inhibitors) also increased cell surface [(3)H]STX binding by approximately 31%. Simultaneous treatment with LiCl and SB216763 or SB415286 did not produce an increased effect on [(3)H]STX binding compared with either treatment alone. LiCl increased Na(+) channel alpha-subunit mRNA level by 32% at 24 h. LiCl accelerated alpha-subunit gene transcription by 35% without altering alpha-subunit mRNA stability. In LiCl-treated cells, LiCl inhibited veratridine-induced (22)Na(+) influx as in untreated cells. However, washout of LiCl after chronic treatment enhanced veratridine-induced (22)Na(+) influx, (45)Ca(2+) influx and catecholamine secretion by approximately 30%. Washout of LiCl after 24 h treatment shifted concentration-response curve of veratridine upon (22)Na(+) influx upward, without altering its EC(50) value. Ptychodiscus brevis toxin-3 allosterically enhanced veratridine-induced (22)Na(+) influx by two-fold in untreated and LiCl-treated cells. Whole-cell patch-clamp analysis indicated that I-V curve and steady-state inactivation/activation curves were comparable between untreated and LiCl-treated cells. Thus, GSK-3 inhibition by LiCl up-regulated cell surface Na(V)1.7 via acceleration of alpha-subunit gene transcription, enhancing veratridine-induced Na(+) influx, Ca(2+) influx and catecholamine secretion.

Mechanistic origin of low polarization in aprotic Na-O2 batteries.

PubMed

Ma, Shunchao; McKee, William C; Wang, Jiawei; Guo, Limin; Jansen, Martin; Xu, Ye; Peng, Zhangquan

2017-05-21

Research interest in aprotic sodium-air (Na-O 2 ) batteries is growing because of their considerably high theoretical specific energy and potentially better reversibility than lithium-air (Li-O 2 ) batteries. While Li 2 O 2 has been unequivocally identified as the major discharge product in Li-O 2 batteries containing relatively stable electrolytes, a multitude of discharge products, including NaO 2 , Na 2 O 2 and Na 2 O 2 ·2H 2 O, have been reported for Na-O 2 batteries and the corresponding cathodic electrochemistry remains incompletely understood. Herein, we provide molecular-level insights into the key mechanistic differences between Na-O 2 and Li-O 2 batteries based on gold electrodes in strictly dry, aprotic dimethyl sulfoxide electrolytes through a combination of in situ spectroelectrochemistry and density functional theory based modeling. While like Li-O 2 batteries, the formation of oxygen reduction products (i.e., O 2 - , NaO 2 and Na 2 O 2 ) in Na-O 2 batteries depends critically on the electrode potential, two factors lead to a better reversibility of Na-O 2 electrochemistry, and are therefore highly beneficial to a viable rechargeable metal-air battery design: (i) only O 2 - and NaO 2 , and no Na 2 O 2 , form down to as low as ∼1.5 V vs. Na/Na + during discharge; (ii) solid NaO 2 is quite soluble and its formation and oxidation can proceed through micro-reversible EC (a chemical reaction of the product after the electron transfer) and CE (a chemical reaction preceding the electron transfer) processes, respectively, with O 2 - as the key intermediate.

Na0.44MnO2 nanorods as a cathode material for Na-ion batteries

NASA Astrophysics Data System (ADS)

Avci, Sevda; Oz, Erdinc; Demirel, Serkan; Altin, Emine; Altin, Serdar; Bayri, Ali; Yakinci, Eyyuphan

2014-03-01

Lithium-ion batteries have dominated the rechargeable battery market because of their high energy and power capability. On the other hand, sodium is one of the more abundant elements on Earth unlike Li. Moreover, Na has similar chemical properties to Li, indicating that Na-ion batteries can be an alternative to Li counterparts. With that respect, we have synthesized Na0.44MnO2 nanorods as cathode materials for Na-ion batteries. We have investigated the effects of structural, electrical, and magnetic properties on battery performance. We report the synthesis conditions and growth mechanism of the nanorods. The structure and the morphology of the materials were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), and atomic force microscopy (AFM) techniques. Temperature dependent structural changes were determined via in situ X-ray diffraction and TG-DTA measurements showing structural changes above room temperature. This work is funded by The Scientific and Technological Research Council of Turkey with Grant No:112M487.

First-Principles Study of Impurities in TlBr

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

Du, Mao-Hua

2012-01-01

TlBr is a promising semiconductor material for room-temperature radiation detection. Material purification has been the driver for the recent improvement in the TlBr detector performance, mainly reflected by the significant increase in the carrier mobility-lifetime product. This suggests that impurities have significant impact on the carrier transport in TlBr. In this paper, first-principles calculations are used to study the properties of a number of commonly observed impurities in TlBr. The impurity-induced gap states are presented and their effects on the carrier trapping are discussed.

First-principles study of impurities in TlBr

NASA Astrophysics Data System (ADS)

Du, Mao-Hua

2012-04-01

TlBr is a promising semiconductor material for room-temperature radiation detection. Material purification has been the driver for the recent improvement in the TlBr detector performance, mainly reflected by the significant increase in the carrier mobility-lifetime product. This suggests that impurities have significant impact on the carrier transport in TlBr. In this paper, first-principles calculations are used to study the properties of a number of commonly observed impurities in TlBr. The impurity-induced gap states are presented and their effects on the carrier trapping are discussed.

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

NASA Astrophysics Data System (ADS)

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

Effects of Al2O3, B2O3, Li2O, Na2O, and SiO2 on Nepheline Crystallization in Hanford High Level Waste Glasses

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

Kroll, Jared O.; Vienna, John D.; Schweiger, Michael J.

2016-09-15

Nepheline (nominally NaAlSiO4) formation during slow cooling of high-alumina (25.4 - 34.5 mass% Al2O3) Hanford high level waste glasses may significantly reduce product durability. To investigate the effects of composition on nepheline crystallization, 29 compositions were formulated by adjusting Al2O3, B2O3, Li2O, Na2O, and SiO2 around a baseline glass that precipitated 12 mass% nepheline. Thirteen of these compositions were generated by adjusting one-component-at-a-time, while two or three components were adjusted to produce the other 16 (with all remaining components staying in the same relative proportions). Quantitative X-ray diffraction was used to determine nepheline concentration in each sample. Twenty two glassesmore » precipitated nepheline, two of which also precipitated eucryptite (nominally LiAlSiO4), and one glass formed only eucryptite upon slow cooling. Increasing Na2O and Li2O had the strongest effect in promoting nepheline formation. Increasing B2O3 inhibited nepheline formation. SiO2 and Al2O3 showed non-linear behavior related to nepheline formation. The composition effects on nepheline formation in these glasses are reported.« less

On 7Li Enrichment by Low-Mass Metal-Poor Red Giant Branch Stars.

PubMed

de La Reza R; da Silva L; Drake; Terra

2000-06-01

First-ascent red giants with strong and very strong Li lines have just been discovered in globular clusters. Using the stellar internal prompt (7)Li enrichment-mass-loss scenario, we explore the possibility of (7)Li enrichment in the interstellar matter of the globular cluster M3 produced by these Li-rich giants. We found that enrichment as large as 70% or more compared to the initial (7)Li content of M3 can be obtained during the entire life of this cluster. However, because M3 will cross into the Galactic plane several times, the new (7)Li will be very probably removed by ram pressure into the disk. Globular clusters appear then as possible new sources of (7)Li in the Galactic disk. It is also suggested that the known Na/Al variations in stars of globular clusters could be somehow related to the (7)Li variations and that the cool bottom process mixing mechanism acting in the case of (7)Li could also play a role in the case of Na and Al surface enrichments.

Low-temperature nanodoping of protonated LiNbO3 crystals by univalent ions

NASA Astrophysics Data System (ADS)

Borodin, Yu. V.

2015-01-01

In the nanocomposite model developed here, crystals are treated as subordinate aggregate of pro- ton-selected structural elements, their blocks, and proton-containing quantum sublattices with preferred transport effects separating them. The formation of stratified reversible hexagonal structures is accompanied with protonation and formation of a dense network of H-bonds ensuring the nanocomposite properties. Nanodoping with H+ ions occurs during processing of crystals and glasses in melts as well as in aqueous solutions of Ag, Tl, Rb, and Cs salts. The isotope exchange H+ ↔ D+ and ion exchange H+ ↔ M+ lead to nanodoping of protonated materials with D+ and M+ ions. This is manifested especially clearly in Li-depleted nonequilibrium LiNbO3 and LiTaO3 crystals. Low-temperature proton-ion nanodoping over superlattices is a basically new approach to analysis of the structure and properties of extremely nonequilibrium materials.

Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te.

PubMed

Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger

2017-12-12

A few thallium based layered chalcogenides of α-NaFeO 2 structure-type are known for their excellent thermoelectric properties and interesting topological insulator nature. TlScQ 2 belongs to this structural category. In the present work, we have studied the electronic structure, electrical and thermal transport properties and thermal stability of the title compounds within the temperature range 2-600 K. Density functional theory (DFT) predicts a metallic nature for TlScTe 2 and a semiconducting nature for TlScSe 2 . DFT calculations also show significant lowering of energies of frontier bands upon inclusion of spin-orbit coupling contribution in the calculation. The electronic structure also shows the simultaneous occurrence of holes and electron pockets for the telluride. Experiments reveal that the telluride shows a semi-metallic behaviour whereas the selenide is a semiconductor. The thermoelectric properties for both the materials were also investigated. Both these materials possess very low thermal conductivity which is an attractive feature for thermoelectrics. However, they lack thermal stability and decompose upon warming above room temperature, as evidenced from high temperature powder X-ray diffraction and thermal analysis.

Influence of alkali metals (Na, Li, Rb) on the performance of electrostatic spray-assisted vapor deposited Cu2ZnSn(S,Se)4 solar cells

NASA Astrophysics Data System (ADS)

Altamura, Giovanni; Wang, Mingqing; Choy, Kwang-Leong

2016-02-01

Electrostatic Spray-Assisted Vapor Deposition (ESAVD) is a non-vacuum and cost-effective method to deposit metal oxide, various sulphide and chalcogenide at large scale. In this work, ESAVD was used to deposit Cu2ZnSn(S1-xSex)4 (CZTSSe) absorber. Different alkali metals like Na, Li and Rb were incorporated in CZTSSe compounds to further improve the photovoltaic performances of related devices. In addition, to the best of our knowledge, no experimental study has been carried out to test the effect of Li and Rb incorporation in CZTSSe solar cells. X-ray diffraction, Raman spectroscopy, scanning electron microscopy, and glow discharge spectroscopy have been used to characterize the phase purity, morphology and composition of as-deposited CZTSSe thin films. Photovoltaic properties of the resulting devices were determined by completing the solar cells as follows: Mo/CZTSSe/CdS/i-ZnO/Al:ZnO/Ni/Al. The results showed that Li, Na and Rb incorporation can increase power conversion efficiency of CZTS devices up to 5.5%. The introduction of a thiourea treatment, has improved the quality of the absorber|buffer interface, pushed the device efficiency up to 6.3% which is at the moment the best reported result for ESAVD deposited CZTSSe solar cells.

MgO:Li,Ce,Sm as a high-sensitivity material for Optically Stimulated Luminescence dosimetry

NASA Astrophysics Data System (ADS)

Oliveira, Luiz C.; Yukihara, Eduardo G.; Baffa, Oswaldo

2016-04-01

The goal of this work was to investigate the relevant dosimetric and luminescent properties of MgO:Li3%,Ce0.03%,Sm0.03%, a newly-developed, high sensitivity Optically Stimulated Luminescence (OSL) material of low effective atomic number (Zeff = 10.8) and potential interest for medical and personal dosimetry. We characterized the thermoluminescence (TL), OSL, radioluminescence (RL), and OSL emission spectrum of this new material and carried out a preliminary investigation on the OSL signal stability. MgO:Li,Ce,Sm has a main TL peak at ~180 °C (at a heating rate of 5 °C/s) associated with Ce3+ and Sm3+ emission. The results indicate that the infrared (870 nm) stimulated OSL from MgO:Li,Ce,Sm has suitable properties for dosimetry, including high sensitivity to ionizing radiation (20 times that of Al2O3:C, under the measurement conditions) and wide dynamic range (7 μGy-30 Gy). The OSL associated with Ce3+ emission is correlated with a dominant, practically isolated peak at 180 °C. Fading of ~15% was observed in the first hour, probably due to shallow traps, followed by subsequent fading of 6-7% over the next 35 days. These properties, together with the characteristically fast luminescence from Ce3+, make this material also a strong candidate for 2D OSL dose mapping.

MgO:Li,Ce,Sm as a high-sensitivity material for Optically Stimulated Luminescence dosimetry

PubMed Central

Oliveira, Luiz C.; Yukihara, Eduardo G.; Baffa, Oswaldo

2016-01-01

The goal of this work was to investigate the relevant dosimetric and luminescent properties of MgO:Li3%,Ce0.03%,Sm0.03%, a newly-developed, high sensitivity Optically Stimulated Luminescence (OSL) material of low effective atomic number (Zeff = 10.8) and potential interest for medical and personal dosimetry. We characterized the thermoluminescence (TL), OSL, radioluminescence (RL), and OSL emission spectrum of this new material and carried out a preliminary investigation on the OSL signal stability. MgO:Li,Ce,Sm has a main TL peak at ~180 °C (at a heating rate of 5 °C/s) associated with Ce3+ and Sm3+ emission. The results indicate that the infrared (870 nm) stimulated OSL from MgO:Li,Ce,Sm has suitable properties for dosimetry, including high sensitivity to ionizing radiation (20 times that of Al2O3:C, under the measurement conditions) and wide dynamic range (7 μGy–30 Gy). The OSL associated with Ce3+ emission is correlated with a dominant, practically isolated peak at 180 °C. Fading of ~15% was observed in the first hour, probably due to shallow traps, followed by subsequent fading of 6–7% over the next 35 days. These properties, together with the characteristically fast luminescence from Ce3+, make this material also a strong candidate for 2D OSL dose mapping. PMID:27076349

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

NASA Astrophysics Data System (ADS)

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.

Study of defects in TlBr, InI as potential semiconductor radiation detectors

NASA Astrophysics Data System (ADS)

Biswas, Koushik; Du, Mao-Hua

2011-03-01

Group III-halides such as TlBr and InI are receiving considerable attention for application in room temperature radiation detector devices. It is however, essential that these detector materials have favorable defect properties which enable good carrier transport when operating under an external bias voltage. We have studied the properties of native defects of InI and Tlbr and several important results emerge: (1) Schottky defects are the dominant low-energy defects in both materials that can potentially pin the Fermi level close to midgap, leading to high resistivity; (2) native defects in TlBr are benign in terms of electron trapping. However, anion-vacancy in InI induces a deep electron trap similar to the F -centers in alkali halides. This can reduce electron mobility-lifetime product in InI; (3) low diffusion barriers of vacancies and ionic conductivity could be responsible for the observed polarization phenomenon in both materials at room temperature. U.S. DOE Office of Nonproliferation Research and Development NA22.

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO{sub 4}:Dy TL material

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

Kamarudin, Nadira; Abdullah, Wan Saffiey Wan; Dollah, Mohd Taufik

2014-09-03

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO{sub 4}) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO{sub 4} with average crystallite size of 74 nm with orthorhombic crystal system. Themore » TL behavior of produced CaSO{sub 4}:Dy was studied using a TLD reader after exposure to gamma ray by Co{sup 60} source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.« less

Calibration of а single hexagonal NaI(Tl) detector using a new numerical method based on the efficiency transfer method

NASA Astrophysics Data System (ADS)

Abbas, Mahmoud I.; Badawi, M. S.; Ruskov, I. N.; El-Khatib, A. M.; Grozdanov, D. N.; Thabet, A. A.; Kopatch, Yu. N.; Gouda, M. M.; Skoy, V. R.

2015-01-01

Gamma-ray detector systems are important instruments in a broad range of science and new setup are continually developing. The most recent step in the evolution of detectors for nuclear spectroscopy is the construction of large arrays of detectors of different forms (for example, conical, pentagonal, hexagonal, etc.) and sizes, where the performance and the efficiency can be increased. In this work, a new direct numerical method (NAM), in an integral form and based on the efficiency transfer (ET) method, is used to calculate the full-energy peak efficiency of a single hexagonal NaI(Tl) detector. The algorithms and the calculations of the effective solid angle ratios for a point (isotropic irradiating) gamma-source situated coaxially at different distances from the detector front-end surface, taking into account the attenuation of the gamma-rays in the detector's material, end-cap and the other materials in-between the gamma-source and the detector, are considered as the core of this (ET) method. The calculated full-energy peak efficiency values by the (NAM) are found to be in a good agreement with the measured experimental data.

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

NASA Astrophysics Data System (ADS)

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

Corrosion behavior of as-cast Mg-8Li-3Al+ xCe alloy in 3.5wt% NaCl solution

NASA Astrophysics Data System (ADS)

Manivannan, S.; Dinesh, P.; Mahemaa, R.; MariyaPillai, Nandhakumaran; Kumaresh Babu, S. P.; Sundarrajan, Srinivasan

2016-10-01

Mg-8Li-3Al+ xCe alloys ( x = 0.5wt%, 1.0wt%, and 1.5wt%) were prepared through a casting route in an electric resistance furnace under a controlled atmosphere. The cast alloys were characterized by X-ray diffraction, optical microscopy, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. The corrosion behavior of the as-cast Mg-8Li-3Al+ xCe alloys were studied under salt spray tests in 3.5wt% NaCl solution at 35°C, in accordance with standard ASTM B-117, in conjunction with potentiodynamic polarization (PDP) tests. The results show that the addition of Ce to Mg-8Li-3Al (LA83) alloy results in the formation of Al2Ce intermetallic phase, refines both the α-Mg phase and the Mg17Al12 intermetallic phase, and then increases the microhardness of the alloys. The results of PDP and salt spray tests reveal that an increase in Ce content to 1.5wt% decreases the corrosion rate. The best corrosion resistance is observed for the LA83 alloy sample with 1.0wt% Ce.

Effect on radioactivity concentration estimation of radon progenies with NaI(Tl) pulse height distribution from considering geometric structure around detector and infiltration of radionuclides.

PubMed

Hirouchi, J; Terasaka, Y; Hirao, S; Moriizumi, J; Yamazawa, H

2015-11-01

The surface radioactivity concentrations of the radon progenies, (214)Pb and (214)Bi, were estimated from NaI(Tl) pulse height distributions during rain. The improvement in estimation errors caused by considering geometric structures around measuring points and infiltration of radionuclides was discussed. The surface radioactivity concentrations were determined by comparing the count rates at the full-energy peak ranges between observation and calculation with the electron-photon transport code EGS5. It was shown that the concentrations can be underestimated by about 30 % unless the obstacles around the detector or infiltration of radionuclides are considered in gamma ray transfer calculations at measuring points, where there are many tall obstacles, or the ground is covered with unpaved areas. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Solid state vibrational spectroscopy of anhydrous lithium hexafluorophosphate (LiPF6)

NASA Astrophysics Data System (ADS)

Kock, L. D.; Lekgoathi, M. D. S.; Crouse, P. L.; Vilakazi, B. M.

2012-10-01

Raman and infrared studies of solid anhydrous lithium hexafluorophosphate (LiPF6) have been carried out. The studies were complemented by X-ray powder diffraction (XRD) and Thermogravimetric (TG) analysis techniques. The results indicate that when solid LiPF6 is studied in a strictly anhydrous environment, more consistent thermal stability data can be obtained. TG analysis, using a scan rate of 10 °C min-1, indicate the onset of thermal decomposition of the anhydrous LiPF6 occurring at about 134.84 °C while the partially hydrolysed compound starts at 114.46 °C. The Raman spectra of anhydrous MPF6 (M = Li+, Na+ and K+) are best interpreted in terms of a cubic space group Fm3m(Ohs), (ZB = 1), giving rise to 21 vibrational modes (A1g(R)+Eg(R)+T1g+T2g(R)+3T1u(1R)+T2u) and as such, LiPF6 may be considered isostructural with NaPF6 and KPF6. Crystal symmetry distortions in the anhydrous LiPF6 give rise additional bands in the Raman spectrum due to T1u infrared active modes and the ν1 (A1g) Raman band appears in the infrared spectrum in violation of the mutual exclusion selection rule for centro-symmetric sites. When these observations are considered, the Raman spectrum of LiPF6 is similar to those of NaPF6 and KPF6, with observations of the expected shifts due to cation size and/or electronegativity effects.

Binding S0.6 Se0.4 in 1D Carbon Nanofiber with CS Bonding for High-Performance Flexible Li-S Batteries and Na-S Batteries.

PubMed

Yao, Yu; Zeng, Linchao; Hu, Shuhe; Jiang, Yu; Yuan, Beibei; Yu, Yan

2017-05-01

A one-step synthesis procedure is developed to prepare flexible S 0.6 Se 0.4 @carbon nanofibers (CNFs) electrode by coheating S 0.6 Se 0.4 powder with electrospun polyacrylonitrile nanofiber papers at 600 °C. The obtained S 0.6 Se 0.4 @CNFs film can be used as cathode material for high-performance Li-S batteries and room temperature (RT) Na-S batteries directly. The superior lithium/sodium storage performance derives from its rational structure design, such as the chemical bonding between Se and S, the chemical bonding between S 0.6 Se 0.4 and CNFs matrix, and the 3D CNFs network. This easy one-step synthesis procedure provides a feasible route to prepare electrode materials for high-performance Li-S and RT Na-S batteries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electro-migration of impurities in TlBr

NASA Astrophysics Data System (ADS)

Kim, Ki Hyun; Kim, Eunlim; Kim, H.; Tappero, R.; Bolotnikov, A. E.; Camarda, G. S.; Hossain, A.; Cirignano, L.; James, R. B.

2013-10-01

We observed the electro-migration of Cu, Ag, and Au impurities that exist in positive-ion states in TlBr detectors under electric field strengths typically used for device operation. The migration occurred predominantly through bulk- and specific-channels, which are presumed to be a network of grain and sub-grain boundaries. The electro-migration velocity of Cu, Ag, and Au in TlBr is about 4-8 × 10-8 cm/s at room temperature under an electric field of 500-800 V/mm. The instability and polarization effects of TlBr detectors might well be correlated with the electro-migration of residual impurities in TlBr, which alters the internal electric field over time. The effect may also have been due to migration of the electrode material itself, which would allow for the possibility of a better choice for contact material and for depositing an effective diffusion barrier. From our findings, we suggest that applying our electro-migration technique for purifying material is a promising new way to remove electrically active metallic impurities in TlBr crystals, as well as other materials.

Interaction of Tl +3 with mononucleotides: metal ion binding and sugar conformation

NASA Astrophysics Data System (ADS)

Nafisi, Sh.; Mohajerani, N.; Hadjiakhoondi, A.; Monajemi, M.; Garib, F.

2001-05-01

The interaction of Tl 3+ with sodium salts of adenosine-5'-monophosphate (5'-AMP), guanosine-5'-monophosphate (5'-GMP), cytidine-5'-monophosphate (5'-CMP), thymidine 5'-monophosphate (5'-dTMP) in ratios 1 and 2 have been studied in neutral pH. The solid complexes were isolated and characterized by Fourier transform infrared (FTIR) and 1H NMR spectroscopy. In the Tl 2(AMP) 3, Tl 3+ binds directly to N-7 and indirectly to the N-1 position of the pyrimidine ring and phosphate group with sugar moiety in C2'-endoanti. The crystalline salt of Tl 2(GMP) 3 show direct Tl-N-7 and Tl-PO 3(inner-sphere) binding. The conformation of ribose moiety in Tl 2(GMP) 3 is C3'-endoanti. In the Tl 2(CMP) 3, Tl 3+ bind directly to N-3 and PO32- (inner-sphere). The conformation of ribose moiety in Tl 2(CMP) 3 is C2'-endoanti. In the Tl 2(dTMP) 3, Tl 3+ bind indirectly to carbonyl group. The sugar moiety in Tl 2(dTMP) 3 is C3'-endoanti.

High temperature phase stability in Li{sub 0.12}Na{sub 0.88}NbO{sub 3}: A combined powder X-ray and neutron diffraction study

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

Mishra, S. K.; Krishna, P. S. R.; Shinde, A. B.

2015-09-07

The phase stabilities of ecofriendly piezoelectric material of lithium doped sodium niobate for composition Li{sub 0.12}Na{sub 0.88}NbO{sub 3} (LNN12) have been investigated by a combination of powder X-ray and neutron diffraction techniques in the temperature range of 300–1100 K. We observed interesting changes with appearance or disappearance of the super-lattice reflections in the powder diffraction patterns. Unambiguous experimental evidence is shown for coexistence of paraelectric and ferroelectric orthorhombic phases in the temperature range of 525 K to 675 K. We identified the correct crystal structure of LNN12 with temperature and correlated it with observed anomaly in the physical properties. Identification of crystal structuremore » also helps in the mode assignments in Raman and infrared spectroscopies. We argued that application of chemical pressure as a result of Li substitution in NaNbO{sub 3} matrix favors the freezing of zone centre phonons in contrast to the freezing of zone boundary phonons in pure NaNbO{sub 3} with the variation of temperature.« less

Ab initio calculations of the electron spectrum and density of states of TlFeS{sub 2} and TlFeSe{sub 2} crystals

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

Ismayilova, N. A., E-mail: ismayilova-narmin-84@mail.ru; Orudjev, H. S.; Jabarov, S. H.

2017-04-15

The results of ab initio calculations of the electron spectrum of TlFeS{sub 2} and TlFeSe{sub 2} crystals in the antiferromagnetic phase are reported. Calculations are carried out in the context of the density functional theory. The origin of the bands of s, p, and d electron states of Tl, Fe, S, and Se atoms is studied. It is established that, in the antiferromagnetic phase, the crystals possess semiconductor properties. The band gaps are found to be 0.05 and 0.34 eV for TlFeS{sub 2} and TlFeSe{sub 2} crystals, respectively.

Infrared predissociation spectroscopy of M+ (C6H6)(1-4)(H2O)(1-2)Ar(0-1) cluster ions, M = Li, Na.

PubMed

Beck, Jordan P; Lisy, James M

2011-05-05

Infrared predissociation (IRPD) spectra of Li(+)(C(6)H(6))(1-4)(H(2)O)(1-2)Ar(0-1) and Na(+)(C(6)H(6))(2-4)(H(2)O)(1-2)Ar(1) are presented along with ab initio calculations. The results indicate that the global minimum energy structure for Li(+)(C(6)H(6))(2)(H(2)O)(2) has each water forming a π-hydrogen bond with the same benzene molecule. This bonding motif is preserved in Li(+)(C(6)H(6))(3-4)(H(2)O)(2)Ar(0-1) with the additional benzene ligands binding to the available free OH groups. Argon tagging allows high-energy Li(+)(C(6)H(6))(2-4)(H(2)O)(2)Ar isomers containing water-water hydrogen bonds to be trapped and detected. The monohydrated, Li(+) containing clusters contain benzene-water interactions with varying strength as indicated by shifts in OH stretching frequencies. The IRPD spectra of M(+)(C(6)H(6))(1-4)(H(2)O)(1-2)Ar are very different for lithium-bearing versus sodium-bearing cluster ions emphasizing the important role of ion size in determining the most favorable balance of competing noncovalent interactions.

High-nuclearity Pt-Tl-Fe complexes: structural, electrochemistry, and spectroelectrochemistry studies.

PubMed

Díez, Alvaro; Fernández, Julio; Lalinde, Elena; Moreno, M Teresa; Sánchez, Sergio

2010-12-20

A series of heteropolynuclear Pt-Tl-Fe complexes have been synthesized and structurally characterized. The final structures strongly depend on the geometry of the precursor and the Pt/Tl ratio used. Thus, the anionic heteroleptic cis-configured [cis-Pt(C(6)F(5))(2)(C≡CFc)(2)](2-) and [Pt(bzq)(C≡CFc)(2)](-) (Fc = ferrocenyl) complexes react with Tl(+) to form discrete octanuclear (PPh(3)Me)(2)[{trans,cis,cis-PtTl(C(6)F(5))(2)(C≡CFc)(2)}(2)] (1), [PtTl(bzq)(C≡CFc)(2)](2) (5; bzq = benzoquinolate), and decanuclear [trans,cis,cis-PtTl(2)(C(6)F(5))(2)(C≡CFc)(2)](2) (3) derivatives, stabilized by both Pt(II)···Tl(I) and Tl(I)···η(2)(alkynyl) bonds. By contrast, Q(2)[trans-Pt(C(6)F(5))(2)(C≡CFc)(2)] (Q = NBu(4)) reacts with Tl(+) to give the one-dimensional (1-D) anionic [(NBu(4)){trans,trans,trans-PtTl(C(6)F(5))(2)(C≡CFc)(2)}](n) (2) and neutral [trans,trans,trans-PtTl(2)(C(6)F(5))(2)(C≡CFc)(2)](n) (4) polymeric chains based on [PtFc(2)](2-) platinate fragments and Tl(+) (2) or [Tl···Tl](2+) (4) units, respectively, connected by Pt(II)···Tl(I) and secondary weak κ-η(1) (2) or η(2) (4) alkynyl···Tl(I) bonding. The formation of 1-4 is reversible, and thus treatment of neutral 3 and 4 with PPh(3)MeBr causes the precipitation of TlBr, returning toward the formation of the anionic 1 and 2' (Q = PPh(3)Me). Two slightly different pseudopolymorphs were found for 2', depending on the crystallization solvent. Finally, the reaction of the homoleptic [Pt(C≡CFc)(4)](2-) with 2 equiv of Tl(+) affords the tetradecanuclear sandwich type complex [Pt(2)Tl(4)(C≡CFc)(8)] (6). Electrochemical, spectroelectrochemical, and theoretical studies have been carried out to elucidate the effect produced by the interaction of the Tl(+) with the Pt-C≡CFc fragments. The cyclic voltammetry (CV) and differential pulse voltammetry (DPV) of 1-5 reveal that, in general, neutralization of the anionic fragments increases the stability of the fully oxidized species and

Isothermal evaporation process simulation using the Pitzer model for the Quinary system LiCl–NaCl–KCl–SrCl 2–H 2O at 298.15 K

DOE PAGES

Meng, Lingzong; Gruszkiewicz, Miroslaw S.; Deng, Tianlong; ...

2015-08-05

In this study, the Pitzer thermodynamic model for solid-liquid equilibria in the quinary system LiCl–NaCl–KCl–SrCl 2–H 2O at 298.15 K was constructed by selecting the proper parameters for the subsystems in the literature. The solubility data of the systems NaCl–SrCl 2–H 2O, KCl–SrCl 2–H 2O, LiCl–SrCl 2–H 2O, and NaCl–KCl–SrCl 2–H 2O were used to evaluate the model. Good agreement between the experimental and calculated solubilities shows that the model is reliable. The Pitzer model for the quinary system at 298.15 K was then used to calculate the component solubilities and conduct computer simulation of isothermal evaporation of the mothermore » liquor for the oilfield brine from Nanyishan district in the Qaidam Basin. The evaporation-crystallization path and sequence of salt precipitation, change in concentration and precipitation of lithium, sodium, potassium, and strontium, and water activities during the evaporation process were demonstrated. The salts precipitated from the brine in the order : KCl, NaCl, SrCl 2∙6H 2O, SrCl 2∙2H 2O, and LiCl∙H 2O. The entire evaporation process may be divided into six stages. In each stage the variation trends for the relationships between ion concentrations or water activities and the evaporation ratio are different. This result of the simulation of brines can be used as a theoretical reference for comprehensive exploitation and utilization of this type of brine resources.« less

A high-throughput method to measure NaCl and acid taste thresholds in mice.

PubMed

Ishiwatari, Yutaka; Bachmanov, Alexander A

2009-05-01

To develop a technique suitable for measuring NaCl taste thresholds in genetic studies, we conducted a series of experiments with outbred CD-1 mice using conditioned taste aversion (CTA) and two-bottle preference tests. In Experiment 1, we compared conditioning procedures involving either oral self-administration of LiCl or pairing NaCl intake with LiCl injections and found that thresholds were the lowest after LiCl self-administration. In Experiment 2, we compared different procedures (30-min and 48-h tests) for testing conditioned mice and found that the 48-h test is more sensitive. In Experiment 3, we examined the effects of varying strength of conditioned (NaCl or LiCl taste intensity) and unconditioned (LiCl toxicity) stimuli and concluded that 75-150 mM LiCl or its mixtures with NaCl are the optimal stimuli for conditioning by oral self-administration. In Experiment 4, we examined whether this technique is applicable for measuring taste thresholds for other taste stimuli. Results of these experiments show that conditioning by oral self-administration of LiCl solutions or its mixtures with other taste stimuli followed by 48-h two-bottle tests of concentration series of a conditioned stimulus is an efficient and sensitive method to measure taste thresholds. Thresholds measured with this technique were 2 mM for NaCl and 1 mM for citric acid. This approach is suitable for simultaneous testing of large numbers of animals, which is required for genetic studies. These data demonstrate that mice, like several other species, generalize CTA from LiCl to NaCl, suggesting that they perceive taste of NaCl and LiCl as qualitatively similar, and they also can generalize CTA of a binary mixture of taste stimuli to mixture components.

Alteration of mineral crystallinity and collagen cross-linking of bones in osteopetrotic toothless (tl/tl) rats and their improvement after treatment with colony stimulating factor-1

NASA Technical Reports Server (NTRS)

Wojtowicz, A.; Dziedzic-Goclawska, A.; Kaminski, A.; Stachowicz, W.; Wojtowicz, K.; Marks, S. C. Jr; Yamauchi, M.

1997-01-01

A common feature of various types of mammalian osteopetroses is a marked increase in bone mass accompanied by spontaneous bone fractures. The toothless (tl/tl) rat osteopetrotic mutation is characterized by drastically reduced bone resorption due to a profound deficiency of osteoclasts and their precursors. An altered bone morphology has also been observed. The mutants cannot be cured by bone marrow transplantation, but skeletal defects are greatly reduced after treatment with colony stimulating factor 1 (CSF-1). The objectives of this study were to characterize mineral and collagen matrices in cancellous and compact bone isolated from long bones of 6-week-old normal littermates, tl/tl osteopetrotic mutants and mutants (tl/tl) treated with CSF-1. There were no differences in bone mineral content, but a significant decrease in the crystallinity of mineral evaluated by the method based on electron paramagnetic resonance spectrometry was observed in all bones of tl/tl mutants as compared to that of controls. Within the collagen matrix, slight decreases in the labile cross-links, but significant increases in the content of the stable cross-links, pyridinoline, and deoxypyridinoline, were observed in both cancellous and compact bone of osteopetrotic mutants. In tl/tl mutants treated with human recombinant CSF-1, the normalization of the crystallinity of bone mineral as well as collagen cross-links was found. Our results indicate that remodeling of bone matrix in tl/tl mutants is highly suppressed, but that after treatment with CSF-1, this activity recovers significantly. Taken together, these data provide further support for the hypothesis that CSF-1 is an essential factor for normal osteoclast differentiation and bone remodelling.

Distribution of chemical elements in soils and stream sediments in the area of abandoned Sb-As-Tl Allchar mine, Republic of Macedonia.

PubMed

Bačeva, Katerina; Stafilov, Trajče; Šajn, Robert; Tănăselia, Claudiu; Makreski, Petre

2014-08-01

The aim of this study was to investigate the distribution of some toxic elements in topsoil and subsoil, focusing on the identification of natural and anthropogenic element sources in the small region of rare As-Sb-Tl mineralization outcrop and abandoned mine Allchar known for the highest natural concentration of Tl in soil worldwide. The samples of soil and sediments after total digestion were analyzed by inductively coupled plasma-mass spectrometry (ICP-MS) and inductively coupled plasma-atomic emission spectrometry (ICP-AES). Factor analysis (FA) was used to identify and characterize element associations. Six associations of elements were determined by the method of multivariate statistics: Rb-Ta-K-Nb-Ga-Sn-Ba-Bi-Li-Be-(La-Eu)-Hf-Zr-Zn-In-Pd-Ag-Pt-Mg; Tl-As-Sb-Hg; Te-S-Ag-Pt-Al-Sc-(Gd-Lu)-Y; Fe-Cu-V-Ge-Co-In; Pd-Zr-Hf-W-Be and Ni-Mn-Co-Cr-Mg. The purpose of the assessment was to determine the nature and extent of potential contamination as well as to broadly assess possible impacts to human health and the environment. The results from the analysis of the collected samples in the vicinity of the mine revealed that As and Tl elements have the highest median values. Higher median values for Sb are obviously as a result of the past mining activities and as a result of area surface phenomena in the past. Copyright © 2014 Elsevier Inc. All rights reserved.

Structure and gas phase stability of complexes L . .. M, where M = Li+, Na+, Mg2+ and L is formaldehyde, formic acid, formate anion, formamide and their sila derivatives

NASA Astrophysics Data System (ADS)

Remko, Milan

Ab initio SCF and DFT methods were used to characterize the gas-phase complexes of selected carbonyl and silacarbonyl bases with Li+ , Na+ and Mg2+ . Geometries were optimized at the Hartree-Fock ab initio and Becke 3LYP DFT levels with the 6-31G* basis set. Frequency computations were performed at the RHF/6-31G* level of theory. Interaction energies of the cation-coordinated systems also were determined with the MP2/6-31G* method. The effect of extension of basis set (to the 6-31+ G* basis) on the computed properties of anion-metal cation complexes was investigated. Calculated energies of formation vary as Mg2+ > Li+ > Na+ . The Becke 3LYP DFT binding energies were comparable with those obtained at the correlated MP2 level and are in good agreement with available experimental data.

Electromechanical properties of A-site (LiCe)-modified sodium bismuth titanate (Na{sub 0.5}Bi{sub 4.5}Ti{sub 4}O{sub 15}) piezoelectric ceramics at elevated temperature

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

Wang Chunming; Wang Jinfeng; Zhang Shujun

2009-05-01

The Aurivillius-type bismuth layer-structured (NaBi){sub 0.46}(LiCe){sub 0.04}Bi{sub 4}Ti{sub 4}O{sub 15} (NBT-LiCe) piezoelectric ceramics were synthesized using conventional solid-state processing. Phase analysis was performed by x-ray diffraction and microstructural morphology was assessed by scanning electron microscopy. The dielectric, piezoelectric, ferroelectric, and electromechanical properties of NBT-LiCe ceramics were investigated. The piezoelectric activities were found to be significantly enhanced compared to NBT ceramics, which can be attributed to the lattice distortion and the presence of bismuth vacancies. The dielectric and electromechanical properties of NBT-LiCe ceramics at elevated temperature were investigated in detail. The excellent piezoelectric, dielectric, and electromechanical properties, coupled with high Curiemore » temperature (T{sub c}=660 deg. C), demonstrated that the NBT-LiCe ceramics are the promising candidates for high temperature applications.« less

Application of whole-body personal TL dosemeters in mixed field beta-gamma radiation.

PubMed

Ciupek, K; Aksamit, D; Wołoszczuk, K

2014-11-01

Application of whole-body personal TL dosemeters based on a high-sensitivity LiF:Mg,Cu,P (MCP-N) in mixed field beta-gamma radiation has been characterised. The measurements were carried out with (90)Sr/(90)Y, (85)Kr and (137)Cs point sources to calculate the energy response and linearity of the TLD response in a dose range of 0.1-30 mSv. From the result, calibration curves were obtained, enabling the readout of individual dose equivalent Hp(10) from gamma radiation and Hp(0.07) from beta radiation in mixed field beta-gamma. Limitation of the methodology and its application are presented and discussed. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Evaluated the Twenty-Six Elements in the Pectoral Muscle of As-Treated Chicken by Inductively Coupled Plasma Mass Spectrometry.

PubMed

Sun, Bonan; Xing, Mingwei

2016-02-01

This study assessed the impacts of dietary arsenic trioxide on the contents of 26 elements in the pectoral muscle of chicken. A total of 100 Hy-line laying cocks were randomly divided into two groups (n = 50), including an As-treated group (basic diet supplemented with arsenic trioxide at 30 mg/kg) and a control group (basal diet). The feeding experiment lasted for 90 days and the experimental animals were given free access to feed and drinking water. The elements lithium (Li), boron (B), natrum (Na), magnesium (Mg), aluminium (AI), silicium (Si), kalium (K), calcium (Ca), vanadium (V), chromium (Cr), manganese (Mn), ferrum (Fe), cobalt (Co.), nickel (Ni), copper (Cu), zinc (Zn), arsenic (As), selenium (Se), molybdenum (Mo), cadmium (Cd), stannum (Sn), stibium (Sb), barium (Ba), hydrargyrum (Hg), thallium (Tl) and plumbum (Pb) in the pectoral muscles were determined using inductively coupled plasma mass spectrometry (ICP-MS). The resulted data indicated that Li, Na, AI, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Sn, Ba, Tl and Pb were significantly increased (P < 0.05) in chicken exposed to As2O3 compared to control chicken, while Mg, Si, K, As and Cd decreased significantly (P < 0.05). These results suggest that ICP-MS determination of elements in chicken tissues enables a rapid analysis with good precision and accuracy. Supplementation of high levels of As affected levels of 20 elements (Li, Na, AI, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Sn, Ba, Tl, Pb, Mg, Si, K, As and Cd) in the pectoral muscles of chicken. Thus, it is needful to monitor the concentration of toxic metal (As) in chicken for human health.

Hole doping and structural transformation in CsTl1-xHgxCl3.

PubMed

Retuerto, Maria; Yin, Zhiping; Emge, Thomas J; Stephens, Peter W; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C; Ignatov, Alexander; Yuan, Z; Zhang, S J; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha

2015-02-02

CsTlCl(3) and CsTlF(3) perovskites have been theoretically predicted to be superconductors when properly hole-doped. Both compounds have been previously prepared as pure compounds: CsTlCl(3) in a tetragonal (I4/m) and a cubic (Fm3̅m) perovskite polymorph and CsTlF(3) as a cubic perovskite (Fm3̅m). In this work, substitution of Tl in CsTlCl(3) with Hg is reported, in an attempt to hole-dope the system and induce superconductivity. The whole series CsTl(1-x)HgxCl(3) (x = 0.0, 0.1, 0.2, 0.4, 0.6, and 0.8) was prepared. CsTl(0.9)Hg(0.1)Cl(3) is tetragonal as the more stable phase of CsTlCl(3). However, CsTl(0.8)Hg(0.2)Cl(3) is already cubic with the space group Fm3̅m and with two different positions for Tl(+) and Tl(3+). For x = 0.4 and 0.5, solid solutions could not be formed. For x ≥ 0.6, the samples are primitive cubic perovskites with one crystallographic position for Tl(+), Tl(3+), and Hg(2+). All of the samples formed are insulating, and there is no signature of superconductivity. X-ray absorption spectroscopy indicates that all of the samples have a mixed-valence state of Tl(+) and Tl(3+). Raman spectroscopy shows the presence of the active Tl-Cl-Tl stretching mode over the whole series and the intensity of the Tl-Cl-Hg mode increases with increasing Hg content. First-principle calculations confirmed that the phases are insulators in their ground state and that Hg is not a good dopant in the search for superconductivity in this system.

Application of TlBr to nuclear medicine imaging

NASA Astrophysics Data System (ADS)

Cirignano, Leonard; Kim, Hadong; Kargar, Alireza; Churilov, Alexei V.; Ciampi, Guido; Higgins, William; Kim, Suyoung; Barber, Bradford; Haston, Kyle; Shah, Kanai

2012-10-01

Thallium bromide (TlBr) has been under development for room temperature gamma ray spectroscopy due to high density, high Z and wide bandgap of the material. Furthermore, its low melting point (460 °C), cubic crystal structure and congruent melting with no solid-solid phase transitions between the melting point and room temperature, TlBr can be grown by relatively simple melt based methods. As a result of improvements in material processing and detector fabrication over the last several years, TlBr with electron mobility-lifetime products (μeτe) in the mid 10-3 cm2/V range has been obtained. In this paper we are going to report on our unipolar charging TlBr results for the application as a small animal imaging. For SPECT application, about 5 mm thick pixellated detectors were fabricated and tested. About 1 % FWHM at 662 keV energy resolution was estimated at room temperature. By applying the depth correction technique, less than 1 % energy resolution was estimated. We are going to report the results from orthogonal strip TlBr detector for PET application. In this paper we also present our latest detector highlights and recent progress made in long term stability of TlBr detectors at or near room temperature. This work is being supported by the Domestic Nuclear Detection Office (DNDO) and the Department of Energy (DOE).

The electronic structure and thermoelectric properties of BiTl{sub 9}Te{sub 6} and SbTl{sub 9}Te{sub 6}: First-principles calculations

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

Guo, Li Bin; Ye, Lingyun; Wang, Yuan Xu, E-mail: wangyx@henu.edu.cn

2015-12-21

The electronic structure and thermoelectric properties of MTl{sub 9}Te{sub 6} (M = Bi, Sb) were studied using density functional theory and the semiclassical Boltzmann theory. It is found that the band gaps of BiTl{sub 9}Te{sub 6} and SbTl{sub 9}Te{sub 6} are equal to 0.59 eV and 0.72 eV, respectively. The relative large band gap and strong coupling between Sb s and Te p are helpful to the thermoelectric properties of SbTl{sub 9}Te{sub 6}. Near the bottom of the conduction bands, the number of band valleys of SbTl{sub 9}Te{sub 6} is four and is larger than that of BiTl{sub 9}Te{sub 6} (two band valleys),more » which will increase its Seebeck coefficient. Although BiTl{sub 9}Te{sub 6} has a larger electrical conductivity relative to relaxation time (σ/τ) along the z-direction than that of SbTl{sub 9}Te{sub 6}, the results show that the transport properties of SbTl{sub 9}Te{sub 6} are better than those of BiTl{sub 9}Te{sub 6} possibly due to its large Seebeck coefficient. The maximum value of power factor relative to relaxation time (S{sup 2}σ/τ) for SbTl{sub 9}Te{sub 6} reaches 4.30 × 10{sup 11 }W/K{sup 2} m s at 900 K, that is, originated from its relatively large Seebeck coefficient, suggesting its promising thermoelectric performance at high temperature.« less

Study of constraints in using household NaCl salt for retrospective dosimetry

NASA Astrophysics Data System (ADS)

Elashmawy, M.

2018-05-01

Thermoluminescence (TL) characteristics of 5 different household NaCl salts and one analytical salt were determined to investigate the possible factors that affect the reliability of using household salt for retrospective dosimetry. Salts' TL sensitivities were found to be particle-size dependent and approached saturation at the largest size, whereas for salts that have the same particle size, the TL sensitivity depended on their origin. TL dependence on the particle size interprets significant variations in TL response reported in the literature for the same salt patch. The first TL readout indicated that all salts have similar glow curves with one distinctive peak. Typical second TL readout at two different doses showed a dramatic decrease in TL sensitivity associated with a significant change in the glow curve structure possessing two prominent peaks. Glow curve deconvolution (GCD) of the first TL readout for all salts yielded 6 individual glow peaks of first-order kinetics, whereas in GCD of second TL readouts, 5 individual glow peaks of second-order kinetics were obtained. Similarities in the glow curve structures of the first and second TL readouts suggest that additives such as KIO3 and MgCO3 have no effect on the TL process. Fading effect was evaluated for the salt of highest TL sensitivity, and it was found that the integral TL intensity decreased gradually and lost 40% of its initial value over 2 weeks, after which it remained constant. Results conclude that a household salt cannot be used for retrospective dosimetry without considering certain constraints such as the salt's origin and particle size. Furthermore, preparedness for radiological accidents and accurate dose reconstructions require that most of the commonly distributed household salt brands should be calibrated in advance and stored in a repository to be recalled in case of accidents.

SoTL Champions: Leveraging Their Lessons Learned

ERIC Educational Resources Information Center

Marcketti, Sara; VanDerZanden, Ann Marie; Leptien, Jennifer R.

2015-01-01

The benefits of conducting SoTL impact individual faculty, staff, students, as well as disciplines, departments, and institutions. In spite of these benefits, colleges and universities, as well as faculty members, do not consistently embrace a broader vision of scholarship, including SoTL. This research explored individual experiences within the…

In-situ studies on the micro-structure evolution of A2W2O7 (A=Li, Na, K) during melting by high temperature Raman spectroscopy and density functional theory.

PubMed

Wang, Jian; You, Jinglin; Wang, Min; Lu, Liming; Wan, Songming; Sobol, A A

2017-10-05

In-situ high temperature Raman spectroscopic (HTRS) technique in combination with density functional theory (DFT) analysis has been adopted to investigate the micro-structure of solid and molten A 2 W 2 O 7 (A=Li, Na, K). The [WO 6 ] octahedra were found to be connected to each other by corner and edge sharing in the crystalline Li 2 W 2 O 7 and K 2 W 2 O 7 compounds. In the crystal lattice of Na 2 W 2 O 7 , on the other hand, the [WO 4 ] tetrahedra and [WO 6 ] octahedra were found to coexist and paired by corner sharing. Although the structural diversity has clearly led to distinct Raman spectra of the crystalline A 2 W 2 O 7 compounds, the spectra of their melts tended to be analogous, showing the typical vibration modes of (W 2 O 7 ) 2- dimer. A mechanism was then proposed to explain the structure evolution occurring during the melting process of A 2 W 2 O 7 . The effect of A + cation on the Raman bands of (W 2 O 7 ) 2- dimer in molten A 2 W 2 O 7 has also been investigated. Both the wavenumber and full width at half-height (FWHH) of the characteristic band assigned to the symmetrical stretching vibration mode of WO nb (non-bridging oxygen) in (W 2 O 7 ) 2- were found to decrease in the sequence of Li + , Na + and K + , indicating the cation effect on the mean bond length and its distribution range of WO nb . In addition, the relative intensity of this band was also influenced by the cation and it was increased in the order of Li 2 W 2 O 7 , Na 2 W 2 O 7 and K 2 W 2 O 7 , which has been explained by the charge transfer process and confirmed by Mulliken overlap population analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

Constitution diagram on the system TlSe-Tb-Se

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

Guseinov, G.D.; Kerimova, E.M.; Agamaliev, D.G.

1988-03-01

The constitution diagram of the system TlSe-TbSe was constructed based on the results of differential-thermal, x-ray phase, and microstructural analyses and measurements of the microhardness. The compound TlTbSe/sub 2/, forming by a peritectic reaction, was observed. It was established that the solubility of TbSe in TlSe at room temperature equals 4.0 mole %.

Investigations on surface chemical analysis using X-ray photoelectron spectroscopy and optical properties of Dy3+-doped LiNa3P2O7 phosphor

NASA Astrophysics Data System (ADS)

Munirathnam, K.; Dillip, G. R.; Chaurasia, Shivanand; Joo, S. W.; Deva Prasad Raju, B.; John Sushma, N.

2016-08-01

Near white-light emitting LiNa3P2O7:Dy3+ phosphors were prepared by a conventional solid-state reaction method. The orthorhombic crystal structure of the phosphors was confirmed using X-ray diffraction (XRD), and the valence states of the surface elements were determined from the binding energies of Li 1s, O 1s, Na 1s, P 2p, and Dy 3d by X-ray photoelectron spectroscopy (XPS). Attenuated total reflectance (ATR) - Fourier transform infrared (FT-IR) spectroscopy was employed to identify the pyrophosphate groups in the phosphors. Diffuse reflectance spectra (DRS) show the absorption bands of the Dy3+ ions in the host material. Intense blue (481 nm) and yellow (575 nm) emissions were obtained at an excitation wavelength of 351 nm and are attributed to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions of Dy3+ ions, respectively. The combination of these two intense bands generates light emission in the near-white region of the chromaticity diagram.

Conduction below 100 °C in nominal Li 6ZnNb 4O 14

DOE PAGES

Li, Yunchao; Paranthaman, Mariappan Parans; Gill, Lance W.; ...

2015-09-15

The increasing demand for a safe rechargeable battery with a high energy density per cell is driving a search for a novel solid electrolyte with a high Li + or Na + conductivity that is chemically stable in a working Li-ion or Na-ion battery. Li 6ZnNb 4O 14 has been reported to exhibit a σ Li > 10 -2 S cm -1 at 250 °C, but to disproportionate into multiple phases on cooling from 850 °C to room temperature. An investigation of the room-temperature Li-ion conductivity in a porous pellet of a multiphase product of a nominal Li 6ZnNb 4Omore » 14 composition is shown to have bulk σ Li 3.3 x 10 -5 S cm -1 at room temperature that increases to 1.4 x 10 -4 S cm -1 by 50 °C. 7Li MAS NMR spectra were fitted to two Lorentzian lines, one of which showed a dramatic increase with increasing temperature. As a result, a test for water stability indicates that Li + may move to the particle and grain surfaces to react with adsorbed water as occurs in the garnet Li + conductors.« less

First-principles study of amorphous carbon: a promising candidate for Na-ion batteries

NASA Astrophysics Data System (ADS)

Kotsis, Konstantinos; Legrain, Fleur; Manzhos, Sergei

2015-03-01

The perspective of a widespread use of clean but intermittent sources of electricity (wind and solar) as well as that of hybrid electric vehicles calls for alternatives to Li-ion batteries as Li resources are limited. Na being abundant, cheap, and a relatively light and small atom, Na-ion batteries have attracted a lot of interest the past few years. However, while most of the Na-ion batteries studies focus on the positive electrode, the negative electrode remains little investigated and an efficient anode providing all a good capacity, a high cycle life, and a descent rate of charge/discharge, is still not available. The efficient electrode materials for Li, in particular diamond Si and graphite C, have been shown to not allow the intercalation of Na [1, 2]. Computational studies report positive intercalation energies [3, 4] and therefore suggest that the insertion of Na into the crystalline framework (C and Si) is thermodynamically not favored: Na atoms prefer to gather into Na clusters rather than to intercalate into the crystalline phase. Amorphization of Si was found to be a valid strategy to improve the interaction between Si and Na [3]. We investigate here the effects of amorphization of C on its storage properties vis-à-vis Na (as well as Li for reference).

Auger compositional depth profiling of the metal contact-TlBr interface

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Swanberg, E. L.; Voss, L. F.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Kim, H.; Cirignano, L.; Shah, K.

2015-08-01

Degradation of room temperature operation of TlBr radiation detectors with time is thought to be due to electromigration of Tl and Br vacancies within the crystal as well as the metal contacts migrating into the TlBr crystal itself due to electrochemical reactions at the metal/TlBr interface. Scanning Auger electron spectroscopy (AES) in combination with sputter depth profiling was used to investigate the metal contact surface/interfacial structure on TlBr devices. Device-grade TlBr was polished and subjected to a 32% HCl etch to remove surface damage and create a TlBr1-xClx surface layer prior to metal contact deposition. Auger compositional depth profiling results reveal non-equilibrium interfacial diffusion after device operation in both air and N2 at ambient temperature. These results improve our understanding of contact/device degradation versus operating environment for further enhancing radiation detector performance.

Studies on 66,67Ga- and 199Tl-poly(N-vinylpyrrolidone) complexes.

PubMed

Lahiri, Susanta; Sarkar, Soumi

2007-03-01

Gallium and thallium radionuclides have both diagnostic and therapeutic applications in the field of nuclear medicine. Poly(N-vinylpyrrolidone) (PVP) is routinely used as a drug base because of its excellent biocompatibility. In this paper, complex formation abilities between no-carrier-added (66,)(67)Ga/(199)Tl radionuclides and PVP have been studied. It has been found that aqueous 5% PVP solution can almost quantitatively back extract (66,)(67)Ga/(199)Tl radionuclides from an organic phase, which proves the complexing ability of PVP with (66,)(67)Ga/(199)Tl. Tl(3+) is more efficient to form Tl-PVP complexes than Tl(+). However, Tl(3+)-PVP complexes are less stable than Ga(3+)-PVP complexes.

Effect of NaI/I 2 mediators on properties of PEO/LiAlO 2 based all-solid-state supercapacitors

NASA Astrophysics Data System (ADS)

Yin, Yijing; Zhou, Juanjuan; Mansour, Azzam N.; Zhou, Xiangyang

NaI/I 2 mediators and activated carbon were added into poly(ethylene oxide) (PEO)/lithium aluminate (LiAlO 2) electrolyte to fabricate composite electrodes. All solid-state supercapacitors were fabricated using the as prepared composite electrodes and a Nafion 117 membrane as a separator. Cyclic voltammetry, electrochemical impedance spectroscopy, and galvanostatic charge/discharge measurements were conducted to evaluate the electrochemical properties of the supercapacitors. With the addition of NaI/I 2 mediators, the specific capacitance increased by 27 folds up to 150 F g -1. The specific capacitance increased with increases in the concentration of mediators in the electrodes. The addition of mediators also reduced the electrode resistance and rendered a higher electron transfer rate between mediator and mediator. The stability of the all-solid-state supercapacitor was tested over 2000 charge/discharge cycles.

Valley spin polarization of Tl/Si(111)

NASA Astrophysics Data System (ADS)

Stolwijk, Sebastian D.; Schmidt, Anke B.; Sakamoto, Kazuyuki; Krüger, Peter; Donath, Markus

2017-11-01

The metal/semiconductor hybrid system Tl/Si(111)-(1 ×1 ) exhibits a unique Tl-derived surface state with remarkable properties. It lies within the silicon band gap and forms spin-momentum-locked valleys close to the Fermi energy at the K ¯ and K¯' points. These valleys are completely spin polarized with opposite spin orientation at K ¯ and K¯' and show a giant spin splitting of more than 0.5 eV. We present a detailed preparation study of the surface system and demonstrate that the electronic valleys are extremely robust, surviving exposure to 100 L hydrogen and 500 L oxygen. We investigate the influence of additional Tl atoms on the spin-polarized valleys. By combining photoemission and inverse photoemission, we prove the existence of fully spin-polarized valleys crossing the Fermi level. Moreover, these metallic valleys carry opposite Berry curvature at K ¯ and K¯', very similar to WSe2, promising a large spin Hall effect. Thus, Tl/Si(111)-(1 ×1 ) possesses all necessary key properties for spintronic applications.

Detailed α -decay study of 180Tl

NASA Astrophysics Data System (ADS)

Andel, B.; Andreyev, A. N.; Antalic, S.; Barzakh, A.; Bree, N.; Cocolios, T. E.; Comas, V. F.; Diriken, J.; Elseviers, J.; Fedorov, D. V.; Fedosseev, V. N.; Franchoo, S.; Ghys, L.; Heredia, J. A.; Huyse, M.; Ivanov, O.; Köster, U.; Liberati, V.; Marsh, B. A.; Nishio, K.; Page, R. D.; Patronis, N.; Seliverstov, M. D.; Tsekhanovich, I.; Van den Bergh, P.; Van De Walle, J.; Van Duppen, P.; Venhart, M.; Vermote, S.; Veselský, M.; Wagemans, C.

2017-11-01

A detailed α -decay spectroscopy study of 180Tl has been performed at ISOLDE (CERN). Z -selective ionization by the Resonance Ionization Laser Ion Source (RILIS) coupled to mass separation provided a high-purity beam of 180Tl. Fine-structure α decays to excited levels in the daughter 176Au were identified and an α -decay scheme of 180Tl was constructed based on an analysis of α -γ and α -γ -γ coincidences. Multipolarities of several γ -ray transitions deexciting levels in 176Au were determined. Based on the analysis of reduced α -decay widths, it was found that all α decays are hindered, which signifies a change of configuration between the parent and all daughter states.

Phase coexistence and high electrical properties in (KxNa0.96-xLi0.04)(Nb0.85Ta0.15)O3 piezoelectric ceramics

NASA Astrophysics Data System (ADS)

Chang, Yunfei; Yang, Zupei; Ma, Difei; Liu, Zonghuai; Wang, Zenglin

2009-03-01

(KxNa0.96-xLi0.04)(Nb0.85Ta0.15)O3 lead-free piezoelectric ceramics were produced by conventional solid-state reaction method. The effects of K/Na ratio on the phase transitional behavior, Raman spectrum, microstructure, and dielectric, piezoelectric, and ferroelectric properties of the ceramics have been investigated. The phase structure of the ceramics undergoes a transition from orthorhombic to tetragonal phase with increasing x. A double-degenerate symmetric O-Nb-O stretching vibration v1 and a triply degenerate symmetric O-Nb-O bending vibration v5 are detected as relatively strong scattering in the Raman spectra. The peak shifts of v5 and v1 modes all have a discontinuity with x between 0.42 and 0.46, which may suggest the coexistence of orthorhombic and tetragonal phases in this range. Properly modifying x reduces the sintering temperature, promotes the grain growth behavior, and improves the density of the ceramics. The polymorphic phase transition (at To -t) is shifted to near room temperature by increasing x to 0.44 (K/Na ratio of about 0.85:1), and the coexistence of orthorhombic and tetragonal phases in the ceramics at x =0.44 results in the optimized electrical properties (d33=291 pC/N, kp=0.54, ɛr=1167, tan δ=0.018, To -t=35 °C, TC=351 °C, Pr=27.65 μC/cm2, and Ec=8.63 kV/cm). The results show that the equal K/Na ratio is not an essential condition in obtaining optimized electrical properties in (KxNa0.96-xLi0.04)(Nb0.85Ta0.15)O3 ceramics.

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

PubMed

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.

THE RECIPROCAL SYSTEM FORMED BY THE CHLORIDES AND THE BROMIDES OF LITHIUM AND THALLIUM (in Russian)

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

Bergman, A.G.; Arabadzhan, A.S.

1963-06-01

The phase diagrams of 2 series of continuous solid solutions, the Li, K:: Cl,Br and the Li,Tl:: Cl,Br were investigated, as part of a study of the relation between thermal effect of equilibrium reactions and the structure of the melts. In the second system, the heat of the exchange reaction LiCl + TlBr in equilibrium LiBr + TlCl amounts to 8.19 kcal/mole, being larger than that of the corresponding reaction in the Li,K:: Cl,Br system; this affects the crystallization surface in the system. A Pt crucible and Pt, Au, Pd/Pt-Rh thermocouple were used in the thermal studies. It was foundmore » that the liquidus surface consists of 2 fields of continuous series of solid solutions. The joint crystallization curve has a maximum at 392 deg C at the stable portion of the LiCl-TlBr system. There is crest in the liquidus surface corresponding to the stable diagonal LiCl--TlBr; this is visible more markedly in the Li(Cl,Br) field. (TTT)« less

Enhance luminescence by introducing alkali metal ions (R+ = Li+, Na+ and K+) in SrAl2O4:Eu3+ phosphor by solid-state reaction method

NASA Astrophysics Data System (ADS)

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.

Lone pair effect, structural distortions, and potential for superconductivity in Tl perovskites.

PubMed

Schoop, Leslie M; Müchler, Lukas; Felser, Claudia; Cava, R J

2013-05-06

Drawing the analogy to BaBiO3, we investigate via ab initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb and Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3. On the basis of chemical reasoning, supported by the calculations, we show that Tl-based perovskites have structural and charge instabilities driven by the lone pair effect, similar to the case of BaBiO3, effectively becoming A2Tl(+)Tl(3+)X6. We find that upon hole doping of RbTlCl3, structures without Tl(+) and Tl(3+) charge disproportionation become more stable, although the ideal cubic perovskite, often viewed as the best host for superconductivity, should not be the most stable phase in the system. The known superconductor (Sr,K)BiO3 and hole doped RbTlCl3, predicted to be most stable in the same tetragonal structure, display highly analogous calculated electronic band structures.

Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.

PubMed

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.

Prediction of Phase Separation of Immiscible Ga-Tl Alloys

NASA Astrophysics Data System (ADS)

Kim, Yunkyum; Kim, Han Gyeol; Kang, Youn-Bae; Kaptay, George; Lee, Joonho

2017-06-01

Phase separation temperature of Ga-Tl liquid alloys was investigated using the constrained drop method. With this method, density and surface tension were investigated together. Despite strong repulsive interactions, molar volume showed ideal mixing behavior, whereas surface tension of the alloy was close to that of pure Tl due to preferential adsorption of Tl. Phase separation temperatures and surface tension values obtained with this method were close to the theoretically calculated values using three different thermodynamic models.

Irradiation effect on luminescence properties of fluoroperovskite single crystal (LiBaF3:Eu2+)

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Madhusoodanan, U.; Nithya, R.; Ramasamy, P.

2014-03-01

Single crystals of pure and Eu2+ doped LiBaF3 have been grown from melt by using a vertical Bridgman-Stockbarger method. Effects induced by irradiation on europium doped LiBaF3 (lithium barium fluoride) single crystals were monitored by optical absorption, photoluminescence and thermoluminescence studies. The absorption bands of Eu2+ ions with peaks at 240, 290 and 320 nm were observed in the LiBaF3:Eu2+ crystal. Drastic increase in absorption was noted below 600 nm after gamma irradiation, which was dependent on the radiation dose. The additional absorption peak at around 570 nm was observed in irradiated crystal due to the ionization process Eu2+(-)e-→Eu3+. Photoluminescence of Eu2+ doped LiBaF3 single crystal shows sharp line peaked at ~359 nm and a broad band extending between 370 and 450 nm which shows a considerable reduction in Eu2+ PL intensity after gamma irradiation. Irradiated LiBaF3:Eu2+ sample has revealed three intense TL glow peaks at 128 °C (peak-1), 281 °C (peak-2) and 407 °C (peak-3). Activation energy (E) and frequency factor (s) of the latter two peaks were determined by various heating rate (VHR) method and graphical method.

Diagnosis of malignant change in Paget's disease by Tl-201.

PubMed

Colarinha, P; Fonseca, A T; Salgado, L; Vieira, M R

1996-04-01

Scintigraphy using Tc-99m MDP and Tl-201 was performed in a patient with polyostotic Paget's disease and sarcomatous degeneration in the right iliac bone. Tc-99m MDP imaging showed abnormal uptake in both types of lesions. Tl-201 imaging showed increased uptake in the sarcomatous lesion and absent uptake in pagetic lesions. This result supports the idea that Tl-201 scintigraphy may have a potential role to play in the differentiation of Paget's disease from malignancy. To the authors' knowledge, Tl-201 has never been reported for the detection of sarcomatous change of pagetic bone.

(Tl, Au)/Si(1 1 1){\\sqrt7 \\times \\sqrt7} 2D compound: an ordered array of identical Au clusters embedded in Tl matrix

NASA Astrophysics Data System (ADS)

Mihalyuk, A. N.; Hsing, C. R.; Wei, C. M.; Eremeev, S. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Gruznev, D. V.; Zotov, A. V.; Saranin, A. A.

2018-01-01

Formation of the highly-ordered \\sqrt7 × \\sqrt7 -periodicity 2D compound has been detected in the (Tl, Au)/Si(1 1 1) system as a result of Au deposition onto the Tl/Si(1 1 1) surface, its composition, structure and electronic properties have been characterized using scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density-functional-theory calculations. On the basis of these data, the structural model of the Tl-Au compound has been proposed, which adopts 12 Tl atoms and 10 Au atoms (in total, 22 atoms) per \\sqrt7 × \\sqrt7 unit cell, i.e.  ˜1.71 ML of Tl and  ˜1.43 ML of Au (in total, ˜3.14 ML). Qualitatively, the model can be visualized as consisting of truncated-pyramid-like Au clusters with a Tl atom on top, while the other Tl atoms form a double layer around the Au clusters. The (Tl, Au)/Si(1 1 1)\\sqrt7 × \\sqrt7 compound has been found to exhibit pronounced metallic properties at least down to temperatures as low as  ˜25 K, which makes it a promising object for studying electrical transport phenomena in the 2D metallic systems.

Electronic Structure of TlBa2CaCu2O(7-Delta)

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

1997-01-01

The core levels of TlBa2CaCu2O(7-delta) (Tl-1212) epitaxial films have been measured with X-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E(sub F)) for the stoichiometric compound (delta = 0.5), while for 50% oxygen vacancies in the Tl-O layer (delta = 0.5) E(sub F) is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T(sub c), consistent with a shift of E(sub F) closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O(8 + delta)(Tl-2212) and HgBa2CaCu2O)6 + delta) (Hg- 1212). The similarity of the Cu 2p(sub 3/2) spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p(sub 3/2) signals exhibit differences which suggest that the replacement of T(sup 3+) with Hg(sup 2+) results in a decrease in the O 2p right arrow Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

Evidence for topologically protected surface states and a superconducting phase in [Tl4](Tl(1-x)Sn(x))Te3 using photoemission, specific heat, and magnetization measurements, and density functional theory.

PubMed

Arpino, K E; Wallace, D C; Nie, Y F; Birol, T; King, P D C; Chatterjee, S; Uchida, M; Koohpayeh, S M; Wen, J-J; Page, K; Fennie, C J; Shen, K M; McQueen, T M

2014-01-10

We report the discovery of surface states in the perovskite superconductor [Tl4]TlTe3 (Tl5Te3) and its nonsuperconducting tin-doped derivative [Tl4](Tl0.4Sn0.6)Te3 as observed by angle-resolved photoemission spectroscopy. Density functional theory calculations predict that the surface states are protected by a Z2 topology of the bulk band structure. Specific heat and magnetization measurements show that Tl5Te3 has a superconducting volume fraction in excess of 95%. Thus Tl5Te3 is an ideal material in which to study the interplay of bulk band topology and superconductivity.

SPECT imaging with Tl-201 and Ga-67 in myocardial sarcoidosis

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

Kurata, C.; Sakata, K.; Taguchi, T.

1990-06-01

Two patients with myocardial sarcoidosis are presented, both of whom underwent SPECT imaging with Tl-201 and Ga-67. The first had Ga-67 myocardial uptake with a Tl-201 defect, which disappeared with corticosteroid therapy. The second had multiple Tl-201 defects without Ga-67 uptake, which persisted despite corticosteroid therapy. Therefore, the combination of Tl-201 and Ga-67 imaging may be useful for recognizing myocardial sarcoidosis and for predicting the response to corticosteroid therapy.

Magnetism and superconductivity of some Tl-Cu oxides

NASA Technical Reports Server (NTRS)

Datta, Timir

1991-01-01

Many copper oxide based Thallium compounds are now known. In comparison to the Bi-compounds, the Tl-system shows a richer diversity; i.e., High Temperature Superconductors (HTSC) can be obtained with either one or two Tl-0 layers (m = 1,2); also, the triple-digit phases are easier to synthesize. The value of d, oxygen stoichiometry, is critical to achieving superconductivity. The Tl system is robust to oxygen loss; Tl may be lost or incorporated by diffusion. A diffusion coefficient equal to 10 ms at 900 C was determined. Both ortho-rhombic and tetragonal structures are found, but HTSC behavior is indifferent to the crystal symmetry. This system has the highest T(sub c) confirmed. T(sub c) generally increases with p, the number of CuO layers, but tends to saturate at p = 3. Zero resistance was observed at temperatures as great as 125 K. Most of these HTSC's are hole type, but the Ce-doped specimens may be electronic. The magnetic aspects were studied; because in addition to defining the perfectly diamagnetic ground state as in conventional superconductors, magnetism of the copper oxides show a surprising variety. This is true of both the normal and the superconducting states. Also, due to the large phonon contribution to the specific heat at the high T(sub c) jump, electronic density of states, D(Ef), and coherence length are uncertain, and thus, are estimated from the magnetic results. Results from the Tl-system CuO, LaBaCuO,120 and the Bi-CuO compounds are discussed. The emphasis is on the role of magnetism in the Tl-CuO HTSC, but technological aspects are also pointed out.

ATMOSPHERIC COMPOSITION OF WEAK G BAND STARS: CNO AND Li ABUNDANCES

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

Adamczak, Jens; Lambert, David L., E-mail: adamczak@astro.as.utexas.edu

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 normalmore » giants and the {sup 12}C/{sup 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.« less

Atmospheric Composition of Weak G Band Stars: CNO and Li Abundances

NASA Astrophysics Data System (ADS)

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.

Luminescence properties of Na2Sr2Al2PO4Cl9:Sm3+ phosphor

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Electronic effects of Se and Pb dopants in TlBr

NASA Astrophysics Data System (ADS)

Smith, Holland M.; Phillips, David J.; Sharp, Ian D.; Beeman, Jeffrey W.; Chrzan, Daryl C.; Haegel, Nancy M.; Haller, Eugene E.; Ciampi, Guido; Kim, Hadong; Shah, Kanai S.

2012-05-01

Deep levels in Se- and Pb-doped bulk TlBr detectors were characterized with photo-induced conductivity transient spectroscopy (PICTS) and cathodoluminescence (CL). Se-doped TlBr revealed two traps with energies of 0.35 and 0.45 eV in PICTS spectra. The Pb-doped material revealed three levels with energies of 0.11, 0.45, and 0.75 eV. CL measurements in both materials correlate with optical transitions involving some of the identified levels. The ambipolar carrier lifetimes of Se-doped and Pb-doped TlBr were measured with microwave reflectivity transients and found to be significantly lower than the lifetime of undoped TlBr.

Defect evolution and impurity migration in Na-implanted ZnO

NASA Astrophysics Data System (ADS)

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.

Characterization of Thallium Bromide (TlBr) for Room Temperature Radiation Detectors

NASA Astrophysics Data System (ADS)

Smith, Holland McTyeire

Thallium bromide (TlBr) has emerged as a remarkably well-suited material for room temperature radiation detection. The unique combination of high-Z elements, high density, suitable band gap, and excellent electrical transport properties present in TlBr have brought device performance up to par with CdZnTe (CZT), the current market-leading room temperature radiation detector material. TlBr research is at an earlier stage than that of CZT, giving hope that the material will see even further improvement in electronic properties. Improving a resistive semiconductor material requires knowledge of deep levels present in the material and the effects of these deep levels on transport properties. Very few deep level studies have been conducted on TlBr, and none with the depth required to generate useful growth suggestions. In this dissertation, deep levels in nominally undoped and doped TlBr samples are studied with electrical and optical methods. Photo-Induced Conductivity Transient Spectroscopy (PICTS) is used to discover many deep levels in TlBr electrically. These levels are compared to sub-band gap optical transitions originating from defects observed in emission spectra. The results of this research indicate that the origin of resistivity in TlBr is likely due to deep level defects pinning the Fermi level at least ˜0.7 eV from either the conduction or valence band edge. The effect of dopants and deep levels on transport in TlBr is assessed with microwave photoconductivity decay analysis. It is found that Pb-, Se-, and O-doping decreases carrier lifetime in TlBr, whereas C-doping does not. TlBr exhibits weak ionic conductivity at room temperature, which both negatively affects the leakage current of detectors and leads to device degradation over time. Researchers are actively looking for ways to reduce or eliminate the ionic conductivity, but are faced with an intriguing challenge of materials engineering: is it possible to mitigate the ionic conduction of Tl

Magnetism and superconductivity of some Tl-Cu oxides

NASA Technical Reports Server (NTRS)

Datta, Timir

1990-01-01

Many copper oxide based Thallium compounds have now been discovered. In comparison to the Bi-compounds, the Tl-system shows a richer diversity; viz., High Temperature Superconductors (HTSC) can be obtained with either one or two Tl-0 layers (m = 1,2); also, the triple-digit phases are easier to synthesize. The value of d, oxygen stoichiometry, is critical to achieving superconductivity. The Tl system is robust to oxygen loss; Tl may be lost or incorporated by diffusion. A diffusion coefficient equal to 10 ms at 900 C was determined. Both ortho-rhombic and tetragonal structures are evidenced, but HTSC behavior is indifferent to the crystal symmetry. This system has the highest T(sub c) confirmed. T(sub c) generally increases with p, the number of CuO layers, but tends to saturate at p = 3. Zero resistance as high as 125K has been observed. Most of these HTSC's are hole type, but the Ce-doped specimens may be electronic. The magnetic aspects were studied; because in addition to defining the perfectly diamagnetic ground state as in the conventional superconductors, magnetism of the copper oxides show a surprising variety. This is true of both the normal and the superconducting states. Also, due to the large phonon contribution to the specific heat at the high T(sub c) accurate thermal measurement of important parameters such as the sp. heat jump, electronic density of states, D(Ef) and coherence length are uncertain, and thus, are estimated from the magnetic results. Results from the Tl-system CuO, LaBaCuO, 120 and the Bi-CuO compounds are discussed. The emphasis is on the role of magnetism in the TlCuO HTSC, but technological aspects are also pointed out.

Indirect radioimmunoassay for thymus leukemia (TL) antigens. [Mice, /sup 125/I tracer technique

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

Esmon, N.L.; Little, J.R.

1976-09-01

An indirect radioimmunoassay for thymus leukemia TL antigens has been developed and its specificity documented. The assay makes use of anti-TL antibodies produced in congenic mice (A-Tla/sup b/) and radioiodinated purified rabbit anti-mouse IgG. Using this assay, differences can be detected in the amounts of antigen expressed on thymocytes of the three known phenotypes (TL.1,2,3; TL.2; TL/sup -/) of inbred mouse strains. Significant differences are also detected in comparison of the thymocytes from homozygous TL.1,2,3 mice (A-Tla/sup a/) and heterozygotes from Tla/sup a/ and Tla/sup b/ parents. Optimum conditions for the assay have been established. Its ability to detect antigensmore » on glutaraldehyde-fixed cells and the binding of noncytolytic antibodies on both viable and fixed cells are documented. The assay has also been used to quantitate the changes in TL antigen expression on cells incubated in anti-TL antisera under conditions of antigenic modulation.« less

Polarization effect in the Ionic conductor TlBr

NASA Astrophysics Data System (ADS)

Rocha Leao, Cedric; Lordi, Vincenzo

2012-02-01

TlBr is an ionic crystal that in recent years has been standing out as one of the most promising materials for effective room temperature radiation detection. However, its exceptional performance invariably degrades after operation times that vary from hours to several weeks. This phenomenon, known as polarization, is assigned to the undesirable ionic current that sets in the crystal under an applied bias, leading to the accumulation of oppositely charged Tl+ and Br- ions at the electric contacts of the device. This charge build up induces a field that opposes the applied bias, impairing the collection of the photo-induced carriers. In this presentation, we use parameter free quantum mechanical simulations to discuss the possible origins of the polarization effect in TlBr, showing that ionic mobility in the intrinsic material is not enough to account for effects reported by several groups. We then discuss other possible causes for the degradation of biased TlBr and propose ways to prevent its occurrence, via careful co-doping as well as a judicious choice of the metal contacts to be employed.

Spatial Variation in Mobility-Lifetime Product in Bulk TlBr and CZT

NASA Astrophysics Data System (ADS)

Phillips, David; Haegel, Nancy; Blaine, Kevin; Kim, Hadong; Ciampi, Guido; Cirignano, Len

2012-02-01

The energy resolution of a semiconductor radiation detector depends on the charge transport properties of the semiconductor, and the mobility-lifetime (μτ) product is a key figure of merit for charge transport. In this work, we investigate the effects of two impurities, Na and Cu, on the μτ product in bulk thallium bromide (TlBr) using cathodoluminescence (CL) and transport imaging. Transport imaging uses a scanning electron microscope to generate a line of charge carriers on the surface of a bulk sample, and the intensity and spatial distribution of the recombination luminescence are recorded. A Green's function approach is used to model the generation, diffusion, and recombination of charge carriers under steady-state conditions. The luminescence distribution is fit to the model to extract the ambipolar diffusion length and the μτ product, providing a high-resolution correlation between the luminescence variations due to dopants/defects and the quantitative transport behavior. The μτ product has been mapped across a 40 μm segment of TlBr at a resolution of 2 μm. Additionally, this approach has been used to locally map variations in ambipolar diffusion length and μτ product due to extended defects in cadmium zinc telluride (CZT).

Growth Temperature Dependence of Morphology of GaN Single Crystals in the Na-Li-Ca Flux Method

NASA Astrophysics Data System (ADS)

Wu, Xi; Hao, Hangfei; Li, Zhenrong; Fan, Shiji; Xu, Zhuo

2018-02-01

In this paper, the effect of growth temperature on the morphology and transparency of the GaN crystals obtained by the Li-Ca-added Na Flux method was studied. Addition of Li-Ca was attempted to control the growth habit and further improve transparency of GaN crystals. The samples with wurtzite structure of GaN were confirmed by the x-ray powder diffraction analysis. GaN single crystal with maximum size of about 6 mm was grown at 750°C. As the growth temperature was increased from 700°C to 850°C, the morphology of the crystals changed from pyramid to prism, and their surfaces became smooth. It was found that high growth temperature was beneficial to obtain a transparent crystal, but the evaporation of sodium would suppress its further growth. The E 2 (high) mode in the Raman spectra was at 568 cm-1, and the full-width at half-maximum values of this peak for the crystals obtained at 700°C, 750°C, 800°C, and 850°C were 7.5 cm-1, 10.3 cm-1, 4.4 cm-1, and 4.0 cm-1, respectively. It indicates that all the crystals are stress free and the transparent crystal grown at high temperature has high structural quality or low impurity concentrations.

Annual dose measurements and TL-dating of ancient Egyptian pottery

NASA Astrophysics Data System (ADS)

Abdel-Wahab, M. S.; El-Fiki, S. A.; El-Fiki, M. A.; Gomaa, M.; Abdel-Kariem, S.; El-Faramawy, N.

1996-05-01

In the course of the dating of ancient Egyptian pottery, pottery sherds were collected from three archaeological tombs in Nazlet El Samman region, Giza zone (Egypt). The annual dose from natural background was measured by gamma spectroscopic technique as well as thermoluminescence (TL) measurements. The results of both methods are in good agreement with a consistency of 99.69%. The extracted quartz exhibited TL dating peaks at about(305 ± 5|4)°C. The TL dating shows an age of 4301 ± 100 years for the examined pottery which belongs to the "Fourth Dynasty" in the "Old Kingdom". The uncertainties in TL dating using the additive method are much lower than that of archeologists.

Recovery of valuable elements from spent Li-batteries.

PubMed

Paulino, Jéssica Frontino; Busnardo, Natália Giovanini; Afonso, Julio Carlos

2008-02-11

This work examines two recycling processes for spent Li/MnO(2) and Li-ion batteries. The anode, cathode and electrolyte (LiPF(6)) were submitted to one of the following procedures: (a) calcination at 500 degrees C (5h) followed by solvent extraction to recover lithium salts (fluoride, phosphate) in good yield (90 wt%). The residual solid was treated with H(2)SO(4) containing H(2)O(2) and on evaporation gave high purity grade cobalt or manganese sulfate; (b) fusion with KHSO(4) (500 degrees C, 5h). The resulting aqueous solution was added dropwise to a solution of NaOH, giving cobalt or manganese as impure precipitate. Addition of KF precipitated high purity grade LiF in moderate yield (50 wt%). The final aqueous solution on treatment with calcium sulfate precipitated the corresponding phosphate and fluoride salts.

L-moments and TL-moments of the generalized lambda distribution

USGS Publications Warehouse

Asquith, W.H.

2007-01-01

The 4-parameter generalized lambda distribution (GLD) is a flexible distribution capable of mimicking the shapes of many distributions and data samples including those with heavy tails. The method of L-moments and the recently developed method of trimmed L-moments (TL-moments) are attractive techniques for parameter estimation for heavy-tailed distributions for which the L- and TL-moments have been defined. Analytical solutions for the first five L- and TL-moments in terms of GLD parameters are derived. Unfortunately, numerical methods are needed to compute the parameters from the L- or TL-moments. Algorithms are suggested for parameter estimation. Application of the GLD using both L- and TL-moment parameter estimates from example data is demonstrated, and comparison of the L-moment fit of the 4-parameter kappa distribution is made. A small simulation study of the 98th percentile (far-right tail) is conducted for a heavy-tail GLD with high-outlier contamination. The simulations show, with respect to estimation of the 98th-percent quantile, that TL-moments are less biased (more robost) in the presence of high-outlier contamination. However, the robustness comes at the expense of considerably more sampling variability. ?? 2006 Elsevier B.V. All rights reserved.

Leading the Charge for SoTL--Embracing Collaboration

ERIC Educational Resources Information Center

Cassard, Anita; Sloboda, Brian

2014-01-01

The scholarship of teaching and learning (SoTL) enables colleges and universities to assess student learning and measure the outcomes by engaging in meaningful research, and to disseminate this research. The objective of this paper is to give a snapshot of and assess the current thinking behind this scholarship by presenting examples of SoTL, and…

Investigation of the Influence of Selected Soil and Plant Properties from Sakarya, Turkey, on the Bioavailability of Trace Elements by Applying an In Vitro Digestion Model.

PubMed

Altundag, Huseyin; Albayrak, Sinem; Dundar, Mustafa S; Tuzen, Mustafa; Soylak, Mustafa

2015-11-01

The main aim of this study was an investigation of the influence of selected soil and plant properties on the bioaccessibility of trace elements and hence their potential impacts on human health in urban environments. Two artificial digestion models were used to determine trace element levels passing from soil and plants to man for bioavailability study. Soil and plant samples were collected from various regions of the province of Sakarya, Turkey. Digestive process is started by addition of soil and plant samples to an artificial digestion model based on human physiology. Bioavailability % values are obtained from the ratio of the amount of element passing to human digestion to element content of soil and plants. According to bioavailability % results, element levels passing from soil samples to human digestion were B = Cr = Cu = Fe = Pb = Li < Al < Ni < Co < Ba < Mn < Sr < Cd < Na < Zn < Tl, while element levels passing from plant samples to human digestion were Cu = Fe = Ni = Pb = Tl = Na = Li < Co < Al < Sr < Ba < Mn < Cd < Cr < Zn < B. It was checked whether the results obtained reached harmful levels to human health by examining the literature.

In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.

PubMed

Liu, Jue; Whitfield, Pamela S; Saccomanno, Michael R; Bo, Shou-Hang; Hu, Enyuan; Yu, Xiqian; Bai, Jianming; Grey, Clare P; Yang, Xiao-Qing; Khalifah, Peter G

2017-07-12

Motivated by predictions made using a bond valence sum difference map (BVS-DM) analysis, the novel Li-ion conductor Li 2 Mg 2 P 3 O 9 N was synthesized by ion exchange from a Na 2 Mg 2 P 3 O 9 N precursor. Impedance spectroscopy measurements indicate that Li 2 Mg 2 P 3 O 9 N has a room temperature Li-ion conductivity of about 10 -6 S/cm (comparable to LiPON), which is 6 orders of magnitude higher than the extrapolated Na-ion conductivity of Na 2 Mg 2 P 3 O 9 N at this temperature. The structure of Li 2 Mg 2 P 3 O 9 N was determined from ex situ synchrotron and time-of-flight neutron diffraction data to retain the P2 1 3 space group, though with a cubic lattice parameter of a = 9.11176(8) Å that is significantly smaller than the a = 9.2439(1) Å of Na 2 Mg 2 P 3 O 9 N. The two Li-ion sites are found to be very substantially displaced (∼0.5 Å) relative to the analogous Na sites in the precursor phase. The non-molten salt ion exchange method used to prepare Li 2 Mg 2 P 3 O 9 N produces a minimal background in powder diffraction experiments, and was therefore exploited for the first time to follow a Li + /Na + ion exchange reaction using in situ powder neutron diffraction. Lattice parameter changes during ion exchange suggest that the reaction proceeds through a Na 2-x Li x Mg 2 P 3 O 9 N solid solution (stage 1) followed by a two-phase reaction (stage 2) to form Li 2 Mg 2 P 3 O 9 N. However, full Rietveld refinements of the in situ neutron diffraction data indicate that the actual transformation mechanism is more complex and instead involves two thermodynamically distinct solid solutions in which the Li exclusively occupies the Li1 site at low Li contents (stage 1a) and then migrates to the Li3 site at higher Li contents (stage 1b), a crossover driven by the different signs of the local volume change at these sites. In addition to highlighting the importance of obtaining full structural data in situ throughout the ion exchange process, these results provide

Laser-diode-excited blue upconversion in Tm3+/Yb3+ -codoped TeO2-Ga2O3-R2O (R=Li, Na, K) glasses.

PubMed

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(+).

FeSi4P4: A novel negative electrode with atypical electrochemical mechanism for Li and Na-ion batteries

NASA Astrophysics Data System (ADS)

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.

Performance analysis of gamma ray spectrometric parameters on digital signal and analog signal processing based MCA systems using NaI(Tl) detector.

PubMed

Kukreti, B M; Sharma, G K

2012-05-01

Accurate and speedy estimations of ppm range uranium and thorium in the geological and rock samples are most useful towards ongoing uranium investigations and identification of favorable radioactive zones in the exploration field areas. In this study with the existing 5 in. × 4 in. NaI(Tl) detector setup, prevailing background and time constraints, an enhanced geometrical setup has been worked out to improve the minimum detection limits for primordial radioelements K(40), U(238) and Th(232). This geometrical setup has been integrated with the newly introduced, digital signal processing based MCA system for the routine spectrometric analysis of low concentration rock samples. Stability performance, during the long counting hours, for digital signal processing MCA system and its predecessor NIM bin based MCA system has been monitored, using the concept of statistical process control. Monitored results, over a time span of few months, have been quantified in terms of spectrometer's parameters such as Compton striping constants and Channel sensitivities, used for evaluating primordial radio element concentrations (K(40), U(238) and Th(232)) in geological samples. Results indicate stable dMCA performance, with a tendency of higher relative variance, about mean, particularly for Compton stripping constants. Copyright © 2012 Elsevier Ltd. All rights reserved.

Structural stability, electronic structure and mechanical properties of alkali gallium hydrides AGaH{sub 4} (A = Li, Na)

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

Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com; Manikandan, M.

2016-05-06

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of alkali gallium hydrides AGaH{sub 4} (A = Li, Na) for three different crystal structures, namely tetragonal (P42{sub 1}c), tetragonal (P4{sub 2}/nmc) and monoclinic (P2{sub 1}/c). Among the considered structures, tetragonal (P42{sub 1}c) phase is found to be the most stable phase for these hydrides at normal pressure. A pressure induced structural phase transition from tetragonal (P42{sub 1}c) to tetragonal (P4{sub 2}/nmc) is observed. The electronic structure reveals that these hydrides are insulators. The calculated elastic constants indicate that these ternary imides are mechanically stablemore » at normal pressure.« less

Experimental study of the reactive processes in the gas phase K{sup +}+i-C{sub 3}H{sub 7}Cl collisions: A comparison with Li and Na ions

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

Aguilar, J.; Lucas, J. M.; Andres, J. de

2013-05-14

Reactive collisions between alkali ions (Li{sup +}, Na{sup +}, and K{sup +}) and halogenated hydrocarbon molecules have been studied recently in our research group. In this paper, we have reported on the K{sup +}+i-C{sub 3}H{sub 7}Cl system in the 0.20-14.00 eV center-of-mass energy range using a radio frequency guided-ion beam apparatus developed in our laboratory. Aiming at increasing our knowledge about this kind of reactions, we compare our latest results for K{sup +} with those obtained previously for Li{sup +} and Na{sup +}. While the reaction channels are the same in all three cases, their energy profiles, reactivity, measured reactivemore » cross-section energy dependences, and even their reaction mechanisms, differ widely. By comparing experimentally measured reactive cross-sections as a function of the collision energy with the ab initio calculations for the different potential energy surfaces, a qualitative interpretation of the dynamics of the three reactive systems is presented in the present work.« less

Personal Reflection: SoTL and Don't Perish!

ERIC Educational Resources Information Center

Goh, Gerald Guan Gan

2010-01-01

This reflection describes my early encounters with SoTL as I went through a critical period questioning my role and responsibilities as an academic and my journey with a cohort of students who made me realise that there is indeed a dire need for SoTL to bridge the nexus between a university academic's teaching responsibilities as well as the…

Impurity-induced deep centers in Tl 6SI 4

DOE PAGES

Shi, Hongliang; Lin, Wenwen; Kanatzidis, Mercouri G.; ...

2017-04-13

Tl 6SI 4 is a promising material for room-temperature semiconductor radiation detection applications. The history of the development of semiconductor radiation detection materials has demonstrated that impurities strongly affect the carrier transport and that material purification is a critically important step in improving the carrier transport and thereby the detector performance. Here, we report combined experimental and theoretical studies of impurities in Tl 6SI 4. Impurity concentrations in Tl 6SI 4 were analyzed by glow discharge mass spectrometry. Purification of the raw material by multi-pass vertical narrow zone refining was found to be effective in reducing the concentrations of mostmore » impurities. Density functional theory calculations were also performed to study the trapping levels introduced by the main impurities detected in experiments. We show that, among dozens of detected impurities, most are either electrically inactive or shallow. In the purified Tl 6SI 4 sample, only Bi has a significant concentration (0.2 ppm wt) and introduces deep electron trapping levels in the band gap. Lastly, improvement of the purification processes is expected to further reduce the impurity concentrations and their impact on carrier transport in Tl 6SI 4, leading to improved detector performance.« less

Distributions of Li+, Na+ K+, Rb+, and Cs+ tracer ions in erythrocytes at 38 degrees C in relation to entry rates of these ions into cells at 0 degree C.

PubMed

Salminen, S; Ekman, A; Rastas, J

2000-01-01

Forces that are able to transport Na+ and K+ into two compartments were investigated. A modified Nernst-Planck equation for coupled flows of electric current, water, and ions was integrated. The result shows that if alkali ions in the ion channel of the cell membrane are separated by their electric-current-induced inward flows against an electro-osmotic outward flow of water, the logarithms of the stationary cell/medium distributions of these ions should be proportional to the inverse of their diffusion mobilities. The relationship was tested in human erythrocytes. From inward and outward movements of tracer alkali ions, calculations were made to obtain their stationary distributions at infinite time. The cell/medium distributions determined in this way at 38 degrees C are Li+ = 0.59, 22Na+ = 0.044, 42K+ = 10.0, 86Rb+ = 11.9, and 137Cs+ = 3.07. The entry rates of ions into the cell at 0 degrees C are understood to represent their diffusion mobilities in the pump channel. The entry rates are Li+ = 1.44, 2Na+ = 1, 42K+ = 2.22, 86Rb+ = 2.39, and 137Cs+ = 1.72 relative to that of 22Na+. There is an expected negative correlation between the logarithms of the stationary cell/ medium distributions at 38 degrees C and the inverse of the entry rates into the cell at 0 degrees C for the five ions. It is suggested that the proposed physical forces cause the separation of alkali ions in the channel of Na,K-ATPase.

Dielectric and Raman spectroscopy of TlSe thin films

NASA Astrophysics Data System (ADS)

Ozel, Aysen E.; Deger, Deniz; Celik, Sefa; Yakut, Sahin; Karabak, Binnur; Akyüz, Sevim; Ulutas, Kemal

2017-12-01

In this report, the results of Dielectric and Raman spectroscopy of TlSe thin films are presented. The films were deposited in different thicknesses ranging from 290 Å to 3200 Å by thermal evaporation method. The relative permittivity (dielectric constant εr‧) and dielectric loss (εr″) of TlSe thin films were calculated by measuring capacitance (C) and dielectric loss factor (tan δ) in the frequencies ranging between 10-2 Hz-107 Hz and in the temperature ranging between 173 K and 433 K. In the given intervals, both the dielectric constant and the dielectric loss of TlSe thin films decrease with increasing frequency, but increase with increasing temperature. This behavior can be explained as multicomponent polarization in the structure. The ac conductivity obeys the ωs law when s (s < 1). The dielectric constant of TlSe thin films is determined from Dielectric and Raman spectroscopy measurements. The results obtained by two different methods are in agreement with each other.

Development of TlBr detectors for PET imaging.

PubMed

Ariño-Estrada, Gerard; Du, Junwei; Kim, Hadong; Cirignano, Leonard J; Shah, Kanai S; Cherry, Simon R; Mitchell, Gregory S

2018-05-04

Thallium bromide (TlBr) is a promising semiconductor detector material for positron emission tomography (PET) because it can offer very good energy resolution and 3-D segmentation capabilities, and it also provides detection efficiency surpassing that of commonly used scintillators. Energy, timing, and spatial resolution were measured for thin (<1 mm) TlBr detectors. The energy and timing resolution were measured simultaneously for the same planar 0.87 mm-thick TlBr device. An energy resolution of (6.41.3)% at 511 keV was achieved at -400 V bias voltage and at room temperature. A timing resolution of (27.84.1) ns FWHM was achieved for the same operating conditions when appropriate energy gating was applied. The intrinsic spatial resolution was measured to be 0.9 mm FWHM for a TlBr detector with metallic strip contacts of 0.5 mm pitch. As material properties improve, higher bias voltage should improve timing performance. A stack of thin detectors with finely segmented readout can create a modular detector with excellent energy and spatial resolution for PET applications. . © 2018 Institute of Physics and Engineering in Medicine.

In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2 Mg(NH2 BH3 )4 and Na2 Mg(NH2 BH3 )4 and Their Thermal Dehydrogenation.

PubMed

Biliškov, Nikola; Borgschulte, Andreas; Užarević, Krunoslav; Halasz, Ivan; Lukin, Stipe; Milošević, Sanja; Milanović, Igor; Novaković, Jasmina Grbović

2017-11-16

For the first time, in situ monitoring of uninterrupted mechanochemical synthesis of two bimetallic amidoboranes, M 2 Mg(NH 2 BH 3 ) 4 (M=Li, Na), by means of Raman spectroscopy, has been applied. This approach allowed real-time observation of key intermediate phases, and a straightforward follow-up of the reaction course. Detailed analysis of time-dependent spectra revealed a two-step mechanism through MNH 2 BH 3 ⋅NH 3 BH 3 adducts as key intermediate phases which further reacted with MgH 2 , giving M 2 Mg(NH 2 BH 3 ) 4 as final products. The intermediates partially take a competitive pathway toward the oligomeric M(BH 3 NH 2 BH 2 NH 2 BH 3 ) phases. The crystal structure of the novel bimetallic amidoborane Li 2 Mg(NH 2 BH 3 ) 4 was solved from high-resolution powder diffraction data and showed an analogous metal coordination to Na 2 Mg(NH 2 BH 3 ) 4 , but a significantly different crystal packing. Li 2 Mg(NH 2 BH 3 ) 4 thermally dehydrogenates releasing highly pure H 2 in the amount of 7 wt.%, and at a lower temperature then its sodium analogue, making it significantly more viable for practical applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pentavalent and tetravalent uranium selenides, Tl3Cu4USe6 and Tl2Ag2USe4: syntheses, characterization, and structural comparison to other layered actinide chalcogenide compounds.

PubMed

Bugaris, Daniel E; Choi, Eun Sang; Copping, Roy; Glans, Per-Anders; Minasian, Stefan G; Tyliszczak, Tolek; Kozimor, Stosh A; Shuh, David K; Ibers, James A

2011-07-18

The compounds Tl(3)Cu(4)USe(6) and Tl(2)Ag(2)USe(4) were synthesized by the reaction of the elements in excess TlCl at 1123 K. Both compounds crystallize in new structure types, in space groups P2(1)/c and C2/m, respectively, of the monoclinic system. Each compound contains layers of USe(6) octahedra and MSe(4) (M = Cu, Ag) tetrahedra, separated by Tl(+) cations. The packing of the octahedra and the tetrahedra within the layers is compared to the packing arrangements found in other layered actinide chalcogenides. Tl(3)Cu(4)USe(6) displays peaks in its magnetic susceptibility at 5 and 70 K. It exhibits modified Curie-Weiss paramagnetic behavior with an effective magnetic moment of 1.58(1) μ(B) in the temperature range 72-300 K, whereas Tl(2)Ag(2)USe(4) exhibits modified Curie-Weiss paramagnetic behavior with μ(eff) = 3.4(1) μ(B) in the temperature range 100-300 K. X-ray absorption near-edge structure (XANES) results from scanning transmission X-ray spectromicroscopy confirm that Tl(3)Cu(4)USe(6) has Se bonding characteristic of discrete Se(2-) units, Cu bonding generally representative of Cu(+), and U bonding consistent with a U(4+) or U(5+) species. On the basis of these measurements, as well as bonding arguments, the formal oxidation states for U may be assigned as +5 in Tl(3)Cu(4)USe(6) and +4 in Tl(2)Ag(2)USe(4).

Development of high Tc (greater than 110K) Bi, Tl and Y-based materials as superconducting circuit elements

NASA Technical Reports Server (NTRS)

Haertling, Gene H.; Lee, Burtrand; Grabert, Gregory; Gilmour, Phillip

1991-01-01

This report is presented in two parts. Part 1 deals primarily with Bi-based materials and a small amount of work on a Y-based composition while Part 2 covers work on Tl-based materials. In Part 1, a reliable and reproducible process for producing bulk bismuth-based superconductors has been developed. It is noted however, that a percentage of the tapecast material experiences curling and fracturing after a 30 hour sintering period and is thus in need of further examination. The Bi-Sr-Ca-Cu-O (BSCCO) material has been characterized by critical temperature data, X-ray diffraction data, and surface morphology. In the case of T sub c, it is not critical to anneal the material. It appears that the BSCCO material has the possibility of producing a better grounding strap than that of the 123 material. Attempts to reproduce near room temperature superconductors in the Y-Ba-Cu-O system were unsuccessful. In Part 2, several methods of processing the high temperature superconductor Tl2Ba2Ca2Cu3O10 were investigated; i.e., different precursor compositions were sintered at various sintering times and temperatures. The highest superconductig temperature was found to be 117.8K when fired at 900 C for three hours. Higher sintering temperatures produced a melted sample which was nonsuperconducting at liquid nitrogen temperature. Also, a preliminary study found Li2O substitutions for copper appeared to increase the transition temperature and create fluxing action upon sintering. It was suggested that lower sintering temperatures might be obtained with lithium additions to produce reliable Tl2Ba2Ca2Cu3O10 processing methods.

Investigation of LiF, Mg and Ti (TLD-100) Reproducibility.

PubMed

Sadeghi, M; Sina, S; Faghihi, R

2015-12-01

LiF, Mg and Ti cubical TLD chips (known as TLD-100) are widely used for dosimetry purposes. The repeatability of TL dosimetry is investigated by exposing them to doses of (81, 162 and 40.5 mGy) with 662keV photons of Cs-137. A group of 40 cubical TLD chips was randomly selected from a batch and the values of Element Correction Coefficient (ECC) were obtained 4 times by irradiating them to doses of 81 mGy (two times), 162mGy and 40.5mGy. Results of this study indicate that the average reproducibility of ECC calculation for 40 TLDs is 1.5%, while these values for all chips do not exceed 5%.

Biochemical and Structural Characterization of the Human TL1A Ectodomain

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

Zhan, C.; Yan, Q; Patskovsky, Y

TNF-like 1A (TL1A) is a newly described member of the TNF superfamily that is directly implicated in the pathogenesis of autoimmune diseases, including inflammatory bowel disease, atherosclerosis, and rheumatoid arthritis. We report the crystal structure of the human TL1A extracellular domain at a resolution of 2.5 {angstrom}, which reveals a jelly-roll fold typical of the TNF superfamily. This structural information, in combination with complementary mutagenesis and biochemical characterization, provides insights into the binding interface and the specificity of the interactions between TL1A and the DcR3 and DR3 receptors. These studies suggest that the mode of interaction between TL1A and DcR3more » differs from other characterized TNF ligand/receptor complexes. In addition, we have generated functional TL1A mutants with altered disulfide bonding capability that exhibit enhanced solution properties, which will facilitate the production of materials for future cell-based and whole animal studies. In summary, these studies provide insights into the structure and function of TL1A and provide the basis for the rational manipulation of its interactions with cognate receptors.« less

Native defects in Tl 6SI 4: Density functional calculations

DOE PAGES

Shi, Hongliang; Du, Mao -Hua

2015-05-05

In this study, Tl 6SI 4 is a promising room-temperature semiconductor radiation detection material. Here, we report density functional calculations of native defects and dielectric properties of Tl 6SI 4. Formation energies and defect levels of native point defects and defect complexes are calculated. Donor-acceptor defect complexes are shown to be abundant in Tl 6SI 4. High resistivity can be obtained by Fermi level pinning by native donor and acceptor defects. Deep donors that are detrimental to electron transport are identified and methods to mitigate such problem are discussed. Furthermore, we show that mixed ionic-covalent character of Tl 6SI 4more » gives rise to enhanced Born effective charges and large static dielectric constant, which provides effective screening of charged defects and impurities.« less

The design of a Nai(Tl) crystal in a system optimised for high-throughput and emergency measurement of iodine 131 in the human thyroid

NASA Astrophysics Data System (ADS)

Vrba, Tomas; Fojtik, Pavel

2014-11-01

In the case of an accidental release of 131I, a system for large-scale monitoring of the population for the radionuclide intake is needed. A monitoring system is required to be capable of measuring adult as well as child subjects across a wide range of ages. Such system has been developed by the National Radiation Protection Institute in Prague (NRPI) and the Evinet company (member of the Nuvia Group). This paper describes the optimisation of the NaI(Tl) detector chosen for this system. The design of the crystal was based on Monte Carlo (MC) simulations, and supported by literature. These simulations examined three different crystal shapes and several dimensions. Based on the MC study, two prototype detectors, with crystal diameters 80 and 73 mm, were manufactured and compared with the crystals having dimensions ∅45×40 mm used for thyroid measurement at NRPI and with a standard NaI(Tl) probe (∅76.2×76.2 mm). The detector with a crystal of 80 mm diameter gave the best results and was chosen for further production.

Highly efficient red-emitting BaMgBO3F:Eu3+,R+ (R: Li, Na, K, Rb) phosphor for near-UV excitation synthesized via glass precursor solid-state reaction

NASA Astrophysics Data System (ADS)

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%.

One-atom-layer 4×4 compound in (Tl, Pb)/Si(111) system

NASA Astrophysics Data System (ADS)

Mihalyuk, A. N.; Hsing, C. R.; Wei, C. M.; Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Zotov, A. V.; Saranin, A. A.

2017-03-01

An ordered 4×4-periodicity 2D compound has been found in the (Tl, Pb)/Si(111) system and its composition, structure and electronic properties have been characterized using low-energy electron diffraction, scanning tunneling microscopy observations and density-functional-theory calculations. The compound has been concluded to contain 9 Tl atoms and 12 Pb atoms per 4×4 unit cell, i.e., 0.56 ML of Tl and 0.75 ML of Pb. Structural model was proposed for the 4×4-(Tl, Pb) compound where building blocks are a hexagonal array of 12 Pb atoms, a triangular array of 6 Tl atoms and a Tl trimer. The proposed structure has a C3 symmetry and occurs in the two equivalent orientations. The electron band structure of the compound contains two metallic spin-split surface-state bands. Bearing in mind the advanced properties of the known √{ 3 } ×√{ 3 } 2D compound in the same (Tl, Pb)/Si(111) system (i.e., combination of giant Rashba effect and superconductivity), the found 4×4-(Tl, Pb) compound is believed to be a promising object for exploration of its superconductive properties.

Antireflective coating for AgBr-TlI and AgBr-TlBr0.46I0.54 solid solution crystals

NASA Astrophysics Data System (ADS)

Korsakov, Alexandr; Salimgareev, Dmitrii; Lvov, Alexandr; Zhukova, Liya

2016-12-01

We researched the process of ultraviolet (UV) irradiation for the crystals of AgBr-TlI and AgBr-TlBr0.46I0.54 systems. It was found that on the surface of irradiated crystals, the film is formed and film grain size depends on exposure time and crystal composition. This film proved to gain the transmission by reducing the reflection from its surface within the 8.0-27.0 μm range.

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors: Effect of chlorination on the TlBr band edges for radiation detectors

DOE PAGES

Varley, J. B.; Conway, A. M.; Voss, L. F.; ...

2015-02-09

Thallium bromide (TlBr) crystals subjected to hydrochloric acid (HCl) chemical treatments have been shown to advantageously affect device performance and longevity in TlBr-based room temperature radiation detectors, yet the exact mechanisms of the improvements remain poorly understood. Here in this paper, we investigate the influence of several HCl chemical treatments on device-grade TlBr and describe the changes in the composition and electronic structure of the surface. Composition analysis and depth profiles obtained from secondary ion mass spectrometry (SIMS) identify the extent to which each HCl etch condition affects the detector surface region and forms of a graded TlBr/TlBr 1-xCL xmore » surface heterojunction. Using a combination of X-ray photoemission spectroscopy (XPS) and hybrid density functional calculations, we are able to determine the valence band offsets, band gaps, and conduction band offsets as a function of Cl content over the entire composition range of TIBr 1-xC1 X. This study establishes a strong correlation between device process conditions, surface chemistry, and electronic structure with the goal of further optimizing the long-term stability and radiation response of TlBr-based detectors.« less

Investigating the origins of double photopeaks in CsI:Tl samples through activator mapping

NASA Astrophysics Data System (ADS)

Onken, Drew R.; Gridin, Sergii; Williams, Richard T.; Williams, Charles B.; Donati, George L.; Gayshan, Vadim; Vasyukov, Sergey; Gektin, Alex

2018-06-01

Careful examination of the origins of double photopeaks in CsI:Tl provides a foundation for exploring the relationship between activator homogeneity and photopeak resolution in scintillators. In rare cases, certain CsI:Tl crystals exhibit a second photopeak in the pulse-height spectrum. A combination of optical mapping and ICP-MS measurements reveals the presence of two distinct regions with differing Tl concentrations in these crystals. The oscillator strength of the 299 nm absorption A-band of Tl in CsI was measured to be 0.0526 ± 0.0008; this parameter can be used to quantify activator concentration from the optical absorption. Using published measurements of luminescence intensity versus Tl concentration, the distributions of Tl measured from optical absorption maps of the samples were reconstructed into photopeaks in good agreement with experiment. The distribution of Tl concentrations in these particular crystals allowed examining luminescence pulse shape as a function of Tl concentration.

In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li 2Mg 2P 3O 9N: Evidence for a Hidden Phase Transition

DOE PAGES

Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.; ...

2017-06-06

Motivated by predictions made using a bond valence sum difference map (BVS-DM) analysis, the novel Li-ion conductor Li 2Mg 2P 3O 9N was synthesized in this paper by ion exchange from a Na 2Mg 2P 3O 9N precursor. Impedance spectroscopy measurements indicate that Li 2Mg 2P 3O 9N has a room temperature Li-ion conductivity of about 10 –6 S/cm (comparable to LiPON), which is 6 orders of magnitude higher than the extrapolated Na-ion conductivity of Na 2Mg 2P 3O 9N at this temperature. The structure of Li 2Mg 2P 3O 9N was determined from ex situ synchrotron and time-of-flight neutronmore » diffraction data to retain the P2 13 space group, though with a cubic lattice parameter of a = 9.11176(8) Å that is significantly smaller than the a = 9.2439(1) Å of Na 2Mg 2P 3O 9N. The two Li-ion sites are found to be very substantially displaced (~0.5 Å) relative to the analogous Na sites in the precursor phase. The non-molten salt ion exchange method used to prepare Li 2Mg 2P 3O 9N produces a minimal background in powder diffraction experiments, and was therefore exploited for the first time to follow a Li +/Na + ion exchange reaction using in situ powder neutron diffraction. Lattice parameter changes during ion exchange suggest that the reaction proceeds through a Na 2–xLi xMg 2P 3O 9N solid solution (stage 1) followed by a two-phase reaction (stage 2) to form Li 2Mg 2P 3O 9N. However, full Rietveld refinements of the in situ neutron diffraction data indicate that the actual transformation mechanism is more complex and instead involves two thermodynamically distinct solid solutions in which the Li exclusively occupies the Li1 site at low Li contents (stage 1a) and then migrates to the Li3 site at higher Li contents (stage 1b), a crossover driven by the different signs of the local volume change at these sites. Finally, in addition to highlighting the importance of obtaining full structural data in situ throughout the ion exchange process, these results provide insights

In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li 2Mg 2P 3O 9N: Evidence for a Hidden Phase Transition

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

Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.

Motivated by predictions made using a bond valence sum difference map (BVS-DM) analysis, the novel Li-ion conductor Li 2Mg 2P 3O 9N was synthesized in this paper by ion exchange from a Na 2Mg 2P 3O 9N precursor. Impedance spectroscopy measurements indicate that Li 2Mg 2P 3O 9N has a room temperature Li-ion conductivity of about 10 –6 S/cm (comparable to LiPON), which is 6 orders of magnitude higher than the extrapolated Na-ion conductivity of Na 2Mg 2P 3O 9N at this temperature. The structure of Li 2Mg 2P 3O 9N was determined from ex situ synchrotron and time-of-flight neutronmore » diffraction data to retain the P2 13 space group, though with a cubic lattice parameter of a = 9.11176(8) Å that is significantly smaller than the a = 9.2439(1) Å of Na 2Mg 2P 3O 9N. The two Li-ion sites are found to be very substantially displaced (~0.5 Å) relative to the analogous Na sites in the precursor phase. The non-molten salt ion exchange method used to prepare Li 2Mg 2P 3O 9N produces a minimal background in powder diffraction experiments, and was therefore exploited for the first time to follow a Li +/Na + ion exchange reaction using in situ powder neutron diffraction. Lattice parameter changes during ion exchange suggest that the reaction proceeds through a Na 2–xLi xMg 2P 3O 9N solid solution (stage 1) followed by a two-phase reaction (stage 2) to form Li 2Mg 2P 3O 9N. However, full Rietveld refinements of the in situ neutron diffraction data indicate that the actual transformation mechanism is more complex and instead involves two thermodynamically distinct solid solutions in which the Li exclusively occupies the Li1 site at low Li contents (stage 1a) and then migrates to the Li3 site at higher Li contents (stage 1b), a crossover driven by the different signs of the local volume change at these sites. Finally, in addition to highlighting the importance of obtaining full structural data in situ throughout the ion exchange process, these results provide insights

Secondary interactions in thallium(I) coordination, [Tl 2(DBM) 2] n, DBM - = 1,3-diphenylpropane-1,3-dionate (dibenzoylmethanide)

NASA Astrophysics Data System (ADS)

Askarinejad, Azadeh; Morsali, Ali; Zhu, Long-Guan

2006-05-01

The Tl I complex of 1,3-diphenylpropane-1,3-dionate (dibenzoylmethanide, DBM -), [Tl 2(DBM) 2] n, has been synthesized and characterized. The single-crystal X-ray data show there are two different Tl environments. One type of Tl-atom in the TlO 4C 6Tl 2 environment is twelve-coordinated, with two weak Tl⋯Tl and hexahapto ( η) interactions, TlC 6. The other type of Tl-atom in the TlO 4C 2Tl 2 units is eight-coordinated, with two weak Tl⋯Tl and dihapto ( η) interactions, TlC 2. The dimeric units [Tl 2(DBM) 2] linked through Tl⋯Tl and polyhapto interactions, TlC 6 and TlC 2, and produce the 1D polymeric chains. Comparison with the analogous Pb(II) compound indicates that Tl I may also act as both a Lewis acid and a Lewis base.

Regional analysis of annual maximum rainfall using TL-moments method

NASA Astrophysics Data System (ADS)

Shabri, Ani Bin; Daud, Zalina Mohd; Ariff, Noratiqah Mohd

2011-06-01

Information related to distributions of rainfall amounts are of great importance for designs of water-related structures. One of the concerns of hydrologists and engineers is the probability distribution for modeling of regional data. In this study, a novel approach to regional frequency analysis using L-moments is revisited. Subsequently, an alternative regional frequency analysis using the TL-moments method is employed. The results from both methods were then compared. The analysis was based on daily annual maximum rainfall data from 40 stations in Selangor Malaysia. TL-moments for the generalized extreme value (GEV) and generalized logistic (GLO) distributions were derived and used to develop the regional frequency analysis procedure. TL-moment ratio diagram and Z-test were employed in determining the best-fit distribution. Comparison between the two approaches showed that the L-moments and TL-moments produced equivalent results. GLO and GEV distributions were identified as the most suitable distributions for representing the statistical properties of extreme rainfall in Selangor. Monte Carlo simulation was used for performance evaluation, and it showed that the method of TL-moments was more efficient for lower quantile estimation compared with the L-moments.

Cardiac sarcoidosis demonstrated by Tl-201 and Ga-67 SPECT imaging

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

Taki, J.; Nakajima, K.; Bunko, H.

1990-09-01

Ga-67 and Tl-201 SPECT was performed to evaluate cardiac sarcoidosis in a 15-year-old boy. Tl-201 SPECT imaging showed decreased uptake in the inferior to lateral wall and Ga-67 accumulation in the area of decreased Tl-201 uptake. These findings suggested cardiac sarcoidosis, and cardiac biopsy confirmed this diagnosis. After corticosteroid therapy, myocardial uptake of Ga-67 disappeared and myocardial TI-201 uptake became more homogeneous.

Synthesis and in vivo evaluation of 201Tl(III)-DOTA complexes for applications in SPECT imaging.

PubMed

Hijnen, Nicole M; de Vries, Anke; Blange, Roy; Burdinski, Dirk; Grüll, Holger

2011-05-01

The aim of this study was to assess the use of (201)thallium(3+) ((201)Tl(3+)) as a radiolabel for nuclear imaging tracers. Methods for labeling of 1,4,7,10-tetraazacyclododecane-N,N',N″,N'″ tetraacetic acid (DOTA) and diethylenetriaminepentaacetic acid (DTPA) chelators with (201)Tl(3+) were investigated, and the levels of stability of these chelates were tested in vitro and in vivo. (201)Tl(I)Cl was treated with hydrochloric acid and ozone to form (201)Tl(III)Cl(3). The procedure for labeling of DOTA and DTPA was optimized, testing different buffer solutions and pH values. The stability levels of (201)Tl(III)-DOTA and (201)Tl(III)-DTPA were assessed in buffer, mouse serum and human serum (1:1, v/v) at a temperature of 310 K for 48 h. Subsequently, in vivo stability studies with (201)Tl(III)-DOTA were performed, comparing the biodistribution of (201)Tl(III)-DOTA with that of (201)Tl(I)Cl in a single-isotope study and with that of (177)Lu(III)-DOTA in a dual-isotope single photon emission computed tomography study. (201)Tl(III)-DTPA, (201)Tl(III)-DOTA and (177)Lu(III)-DOTA were prepared with >95% radiochemical purity. While (201)Tl(III)-DOTA showed a prolonged level of stability in buffer and serum, (201)Tl was quickly released from DTPA in serum. Apart from some urinary excretion, the biodistribution of DOTA-chelated (201)Tl(3+) was similar to that of free (ionic) (201)Tl(+) and did not match the biodistribution of (177)Lu(III)-DOTA. This indicated a limited stability of (201)Tl(III)-DOTA complexes in vivo. Despite promising results on the labeling and in vitro stability of (201)Tl(III)-DOTA, our in vivo results indicate that the integrity of (201)Tl(III)-DOTA decreases to <20% during the time required for urinary excretion, thereby limiting the use of (201)Tl(3+) as a radiolabel for tracer imaging. Copyright © 2011 Elsevier Inc. All rights reserved.

Electronic structure and dissociation curves for the ground states of Tl/sub 2/ and Tl/sub 2//sup +/ from relativistic effective potential calculations

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

Christiansen, P.A.; Pitzer, K.S.

The dissociation curves for the ground states of Tl/sub 2/ and Tl/sub 2//sup +/ were computed using a generalization of the molecular relativistic ..omega..--..omega.. coupling formalism of Lee, Ermler, and Pitzer. Relativistic effects, as represented by the Dirac equation, were introduced using effective potentials generated from atomic Dirac--nFock wave functions using a generalization of the improved effective potential formulation of Christiansen, Lee, and Pitzer. Our calculations show that the ground state of Tl/sub 2//sup +/ is 1/2/sub g/ with computed D/sub e/ and R/sub e/ values of 0.58 eV and 3.84 A. For Tl/sub 2/ we find that the groundmore » state is 0/sub u//sup -/ but the 0/sub g//sup +/ and the 1/sub u/ states are only slightly higher in energy; the potential curves for these states are repulsive to about 3.5 A and then essentially flat beyond that radius. While corrections for correlation will increase D/sub e/ somewhat, Tl/sub 2/ is only weakly bound in any of these states which dissociate to normal atoms. The cause is undoubtedly related to the large spin-orbit splitting between the 6p/sub 1/2/ and 6p/sub 3/2/ thallium spinors.« less

The quick and ultrasensitive determination of K in NaI using inductively coupled plasma mass spectrometry

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

Arnquist, Isaac J.; Hoppe, Eric W.

A highly sensitive, novel and quick assay method utilizing inductively coupled plasma mass spectrometry was developed for the determination of K in NaI powders and NaI(Tl) scintillator crystals for use in ultralow background applications. The determination of K (viz. 40K), as well as Th and U and their daughters, is important in ultralow background detector materials to ensure incorporation of materials of sufficiently high radiopurity. Through the use of improved instrumentation, cool plasma operating conditions, and meticulously clean sample preparations, detection limits of 11 fg natK∙g-1 (or 341 pBq 40K∙kg-1) was attained for K in pure water. Detection limits inmore » the sample matrix (i.e., NaI) were 0.529 ng natK∙g NaI-1 (or 16.4 Bq 40K∙kg NaI -1). A number of different precursor NaI powder samples and NaI(Tl) scintillator crystals were assayed for their K content. Determinations ranged from 0.757 – 31.4 ng natK∙g NaI-1. This method allows for the screening of materials to unprecedented levels in a fraction of the time compared to gamma counting techniques, providing a useful method for a more effective screening tool of K in ultralow background detector materials.« less

SANTPEN's SoTL Journey: Building and Using a SoTL Approach across Institutions

ERIC Educational Resources Information Center

West, Deborah; Stephenson, Helen

2016-01-01

In the current higher education environment, providing high quality teaching and learning experiences to students has moved beyond desirable to essential. Quality improvement takes many forms, but one core aspect to ensure sustainable improvement is the development of a culture of scholarship of teaching and learning (SoTL). Developing such an…

Method of forming superconducting Tl-Ba-Ca-Cu-O films

DOEpatents

Wessels, Bruce W.; Marks, Tobin J.; Richeson, Darrin S.; Tonge, Lauren M.; Zhang, Jiming

1993-01-01

A method of forming a superconducting Tl-Ba-Ca-Cu-O film is disclosed, which comprises depositing a Ba-Ca-Cu-O film on a substrate by MOCVD, annealing the deposited film and heat-treating the annealed film in a closed circular vessel with TlBa.sub.2 Ca.sub.2 Cu.sub.3 O.sub.x and cooling to form said superconducting film of TlO.sub.m Ba.sub.2 Ca.sub.n-1 Cu.sub.n O.sub.2n+2, wherein m=1,2 and n=1,2,3.

Branching ratios for TlBr photodissociation with 2660 A radiation

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

White, J.C.; Zdasiuk, G.A.

1978-09-01

Radiation from a Nd:YAG laser was used to study the selective photodissociation of TlBr into the Tl metastable state, 6p/sup 2/P/sub 3/2/, as a potential candidate for stimulated Roman up-converters.(AIP)

Developing Scholarly Teachers through an SoTL Faculty Fellowship

ERIC Educational Resources Information Center

Fisher, Beth A.; Repice, Michelle D.; Dufault, Carolyn L.; Leonard, Denise A.; Frey, Regina F.

2014-01-01

The increasing interest in incorporating evidenced-based teaching in higher education has created a pronounced need for faculty to learn the theory and practice of the Scholarship of Teaching and Learning (SoTL). This article describes a program designed to prepare faculty to (a) draw on existing SoTL studies when designing and implementing…

Structural and superconducting features of Tl-1223 prepared at ambient pressure

DOE PAGES

Shipra, Fnu; Idrobo Tapia, Juan Carlos; Sefat, Athena Safa

2015-09-25

This study provides an account of the bulk preparation of TlBa 2Ca 2Cu 3O 9-δ (Tl-1223) superconductor at ambient pressure, and the Tc features under thermal-annealing conditions. The ‘as-prepared’ Tl-1223 (Tc =106 K) presents a significantly higher T c = 125 K after annealing the polycrystalline material in either flowing Ar+4% H 2, or N 2 gases. In order to understand the fundamental reasons for a particular Tc, we refined the average bulk structures using powder X-ray diffraction data. Although Ar+4%H2 annealed Tl- 1223 shows an increased ‘c’ lattice parameter, it shrinks by 0.03% (approximately unchanged) upon N2 anneal. Duemore » to such indeterminate conclusions on the average structural changes, local structures were investigated at using aberration-corrected scanning-transmission electron microscopy technique. Similar compositional changes in the atomic arrangements of both annealed-samples of Tl-1223 were detected in which the plane containing Ca atomic layer gives a non-uniform contrast, due to substitution of some heavier Tl. In this report, extensive bulk properties are summarized through temperature-dependent resistivity, and shielding and Meissner fractions of magnetic susceptibility results; the bulk and local structures are investigated to correlate to properties.« less

Soluble TL1A is sufficient for activation of death receptor 3.

PubMed

Bittner, Sebastian; Knoll, Gertrud; Füllsack, Simone; Kurz, Maria; Wajant, Harald; Ehrenschwender, Martin

2016-01-01

Death receptor 3 (DR3) is a typical member of the tumor necrosis factor receptor family, and was initially identified as a T-cell co-stimulatory molecule. However, further studies revealed a more complex and partly dichotomous role for DR3 and its ligand TL1A under (patho)physiological conditions. TL1A and DR3 are not only a driving force in the development of autoimmune and inflammatory diseases, but also play an important role in counteracting these processes through an increase in the number of regulatory T cells. Ligands of the tumor necrosis factor family typically occur in two forms, membrane-bound and soluble, that can differ strikingly with respect to their efficacy in activating their corresponding receptor(s). Ligand-based approaches to activate the TL1A-DR3 pathway therefore require understanding of the molecular prerequisites of TL1A-based DR3 activation. To date, this has not been addressed. Here, we show that recombinant soluble trimeric TL1A is fully sufficient to strongly activate DR3-associated pro- and anti-apoptotic signaling pathways. In contrast to the TRAIL death receptors, which are much better activated by soluble TRAIL upon secondary ligand oligomerization, but similarly to the death receptor tumor necrosis factor receptor 1, DR3 is efficiently activated by soluble TL1A trimers. Additionally, we have measured the affinity of TL1A-DR3 interaction in a cell-based system, and demonstrated TL1A-induced DR3 internalization. Identification of DR3 as a tumor necrosis factor receptor that responds to soluble ligand trimers without further oligomerization provides a basis for therapeutic exploitation of the TL1A-DR3 pathway. © 2015 FEBS.

(K, Na, Li)(Nb, Ta)O3:Mn lead-free single crystal with high piezoelectric properties

PubMed Central

Huo, Xiaoqing; Zhang, Rui; Zheng, Limei; Zhang, Shujun; Wang, Rui; Wang, Junjun; Sang, Shijing; Yang, Bin; Cao, Wenwu

2016-01-01

Lead-free single crystal, (K, Na, Li)(Nb, Ta)O3:Mn, was successfully grown using top-seeded solution growth method. Complete matrix of dielectric, piezoelectric and elastic constants for [001]C poled single crystal was determined. The piezoelectric coefficient d33 measured by the resonance method was 545 pC/N, which is almost three times that of its ceramic counterpart. The values measured by the Berlincourt meter ( d33∗=630pC/N) and strain-field curve ( d33∗∗=870pm/V) were even higher. The differences were assumed to relate with the different extrinsic contributions of domain wall vibration and domain wall translation during the measurements by different approaches, where the intrinsic contribution (on the order of 539 pm/V) was supposed to be the same. The crystal has ultrahigh electromechanical coupling factor (k33 ~ 95%) and high ultrasound velocity, which make it promising for high frequency medical transducer applications. PMID:27594704

A novel open-framework with non-crossing channels in the uranyl vanadates A(UO 2) 4(VO 4) 3 ( A=Li, Na)

NASA Astrophysics Data System (ADS)

Obbade, S.; Dion, C.; Rivenet, M.; Saadi, M.; Abraham, F.

2004-06-01

A new sodium uranyl vanadate Na(UO 2) 4(VO 4) 3 has been synthesized by solid-state reaction and its structure determined from single-crystal X-ray diffraction data. It crystallizes in the tetragonal symmetry with space group I4 1/ amd and following cell parameters: a=7.2267(4) Å and c=34.079(4) Å, V=1779.8(2) Å 3, Z=4 with ρmes=5.36(3) g/cm 3 and ρcal=5.40(2) g/cm 3. A full-matrix least-squares refinement on the basis of F2 yielded R1=0.028 and w R2=0.056 for 52 parameters with 474 independent reflections with I⩾2 σ( I) collected on a BRUKER AXS diffractometer with Mo Kα radiation and a CCD detector. The crystal structure is characterized by ∞2[(UO 2) 2(VO 4)] sheets parallel to (001) formed by corner-shared UO 6 distorted octahedra and V(2)O 4 tetrahedra, connected by V(1)O 4 tetrahedra to ∞1[UO 5] 4- chains of edge-shared UO 7 pentagonal bipyramids alternately parallel to the a- and b-axis. The resulting three-dimensional framework creates mono-dimensional channels running down the a- and b-axis formed by face-shared oxygen octahedra half occupied by Na. The powder of Li analog compound Li(UO 2) 4(VO 4) 3 has been synthesized by solid-state reaction. The two compounds exhibit high mobility of the alkaline ions within the two-dimensional network of non-intersecting channels.

Rational design of Fe3O4@C yolk-shell nanorods constituting a stable anode for high-performance Li/Na-ion batteries.

PubMed

Wang, Beibei; Zhang, Xing; Liu, Xiaojie; Wang, Gang; Wang, Hui; Bai, Jintao

2018-05-24

In the current research project, we have prepared a novel Fe 3 O 4 @mesoporous carbon nanorod (denoted as Fe 3 O 4 @C) anode with yolk-shell structure for Li/Na-ion batteries via one-pot and surfactant-free synthesis strategy. The yolk-shell structure consists of Fe 3 O 4 nanorod yolk completely protected by a well-conductive mesoporous carbon shell. The substantial void space in the Fe 3 O 4 @C yolk-shell nanorod can not only accommodate the full volume expansion of inner Fe 3 O 4 nanorod, but also preserve the structural integrity of the Fe 3 O 4 @C anode and develop a stable SEI film on the outside mesoporous carbon shell during the repeated Li + /Na + insertion/extraction processes. As for lithium storage, the Fe 3 O 4 @C electrode exhibits a high specific capacity (1247 mAh g -1 ), stable cycling performance (a specific capacity of 954 mAh g -1 after 200 cycles at a current density of 0.5 A g -1 ) and excellent rate capability (specific capabilities of 1122, 958, 783, 577, and 374 mAh g -1 at 0.5, 1, 2, 4, and 8 A g -1 , respectively). As for sodium storage, the Fe 3 O 4 @C yolk-shell nanorods also maintain a reversible capacity of approximate 424 mAh g -1 at 0.1 A g -1 after 100 cycles. Copyright © 2018. Published by Elsevier Inc.

Multilayered ion-imprinted membranes with high selectivity towards Li+ based on the synergistic effect of 12-crown-4 and polyether sulfone

NASA Astrophysics Data System (ADS)

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.

Structural characteristics of Mg-doped (1-x)(K0.5Na0.5)NbO3-xLiSbO3 lead-free ceramics as revealed by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Zhu, W. L.; Zhu, J. L.; Meng, Y.; Wang, M. S.; Zhu, B.; Zhu, X. H.; Zhu, J. G.; Xiao, D. Q.; Pezzotti, G.

2011-12-01

This paper presents a Raman spectroscopic study of compositional-change-induced structure variation and of the related mechanism of Mg doping in LiSbO3 (LS)-modified (K0.5Na0.5)NbO3 (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 A1g(v1) 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 A1g(v1) 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: Mg2+ 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, xO-T, for incipient O → T transition in the KNN-xLS-wMT system was strongly dependent on Mg content, with xO → T being roughly equal to 0.04 + 2w, for the case of dilute Mg alloying.

Differential Impact of the Monovalent Ions Li+, Na+, K+, and Rb+ on DNA Conformational Properties

PubMed Central

2015-01-01

The present report demonstrates that the conformational properties of DNA in solution are sensitive to the type of monovalent ion. Results are based on the ability of a polarizable force field using the classical Drude oscillator to reproduce experimental solution X-ray scattering data more accurately than two nonpolarizable DNA models, AMBER Parmbsc0 and CHARMM36. The polarizable model is then used to calculate scattering profiles of DNA in the presence of four different monovalent salts, LiCl, NaCl, KCl, and RbCl, showing the conformational properties of DNA to vary as a function of ion type, with that effect being sequence-dependent. The primary conformational mode associated with the variations is contraction of the DNA minor groove width with decreasing cation size. These results indicate that the Drude polarizable model provides a more realistic representation of ion–DNA interactions than additive models that may lead to a new level of understanding of the physical mechanisms driving salt-mediated biological processes involving nucleic acids. PMID:25580188

TU-F-BRE-07: In Vivo Neutron Detection in Patients Undergoing Stereotactic Ablative Radiotherapy (SABR) for Primary Kidney Cancer Using 6Li and 7Li Enriched TLD Pairs

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

Lonski, P; Kron, T; RMIT University, Melbourne, Victoria

Purpose: Stereotactic ablative radiotherapy (SABR) for primary kidney cancer often involves the use of high-energy photons combined with a large number of monitor units. While important for risk assessment, the additional neutron dose to untargeted healthy tissue is not accounted for in treatment planning. This work aims to detect out-of-field neutrons in vivo for patients undergoing SABR with high-energy (>10 MV) photons and provides preliminary estimates of neutron effective dose. Methods: 3 variations of high-sensitivity LiF:Mg,Cu,P thermoluminescent dosimeter (TLD) material, each with varying {sup 6}Li / {sup 7}Li concentrations, were used in custom-made Perspex holders for in vivo measurements. Themore » variation in cross section for thermal neutrons between Li isotopes was exploited to distinguish neutron from photon signal. Measurements were made out-of-field for 7 patients, each undergoing 3D-conformal SABR treatment for primary kidney cancer on a Varian 21iX linear accelerator. Results: In vivo measurements show increased signal for the {sup 6}Li enriched material for patients treated with 18 MV photons. Measurements on one SABR patient treated using only 6 MV showed no difference between the 3 TLD materials. The out-of-field photon signal decreased exponentially with distance from the treatment field. The neutron signal, taken as the difference between {sup 6}Li enriched and {sup 7}Li enriched TLD response, remains almost constant up to 50 cm from the beam central axis. Estimates of neutron effective dose from preliminary TLD calibration suggest between 10 and 30 mSv per 1000 MU delivered at 18 MV for the 7 patients. Conclusion: TLD was proven to be a useful tool for the purpose of in vivo neutron detection at out-of-field locations. Further work is required to understand the relationship between TL signal and neutron dose. Dose estimates based on preliminary TLD calibration in a neutron beam suggest the additional neutron dose was <30 mSv per 1000 MU

Electromodulation spectroscopy of sc and fcc phase TlCl and TlBr

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

McClelland, J.F.

1976-06-01

Electromodulation measurements were made on these compounds and the spectra were reduced to the electric field induced changes in the dielectric function. The results indicate the importance of photocarrier effects in both theory and experiment in the electromodulation of exciton states. In the future, calculations should include the effect of photocarriers on the field seen by the exciton and experimentally samples should be developed with known and reproducible photocarrier properties with temperature control between liquid helium and nitrogen temperatures and bipolar modulation fields. The abnormal (fcc) phase electroabsorption (EA) measurements have demonstrated the usefulness of the modulation method in resolvingmore » exciton states by determining the n = 2 energy in TlBr. This has enabled a number of quantities to be calculated from the Wannier exciton model. The resolution of the n = 2 energy in TlCl is probably also possible with an EA measurement and patience with the signal to noise problem. The ..cap alpha.. and ..beta.. features are still unassigned but the unusual EA lineshape and sample preparation sensitivity found in this investigation may prove useful in making definitive assignments in conjunction with future work.« less

Long-term room temperature stability of TlBr gamma detectors

NASA Astrophysics Data System (ADS)

Conway, A. M.; Voss, L. F.; Nelson, A. J.; Beck, P. R.; Graff, R. T.; Nikolic, R. J.; Payne, S. A.; Kim, H.; Cirignano, L. J.; Shah, K.

2011-09-01

TlBr is a material of interest for use in room temperature gamma ray detector applications due to is wide bandgap 2.7 eV and high average atomic number (Tl 81, Br 35). Researchers have achieved energy resolutions of 1.3 % at 662 keV, demonstrating the potential of this material system. However, these detectors are known to polarize using conventional configurations, limiting their use. Continued improvement of room temperature, high-resolution gamma ray detectors based on TlBr requires further understanding of the degradation mechanisms. While high quality material is a critical starting point for excellent detector performance, we show that the room temperature stability of planar TlBr gamma spectrometers can be significantly enhanced by treatment with both hydrofluoric and hydrochloric acid. By incorporating F or Cl into the surface of TlBr, current instabilities are eliminated and the longer term current of the detectors remains unchanged. 241Am spectra are also shown to be more stable for extended periods; detectors have been held at 2000 V/cm for 52 days with less than 10% degradation in peak centroid position. In addition, evidence for the long term degradation mechanism being related to the contact metal is presented.

Personal Reflection: Lessons from My Students and Other Reflections on SoTL

ERIC Educational Resources Information Center

McKinney, Kathleen

2009-01-01

This personal reflection describes the author's 25-year relationship with the scholarship of teaching and learning. Her thoughts wander to influences on her career in SoTL, the impact SoTL has had on her professional life, the dilemmas in the field that continue to be pondered, ways to advocate for and support SoTL work, and her hopes for the…

Premelting, Melting, and Degradation Properties of Molten Alkali Nitrates: LiNO3, NaNO3, KNO3, and Binary NaNO3-KNO3

NASA Astrophysics Data System (ADS)

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

NASA Astrophysics Data System (ADS)

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).

Oxidation/reduction reactions at the metal contact-TlBr interface: an x-ray photoelectron spectroscopy study

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Swanberg, E. L.; Voss, L. F.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Kim, H.; Cirignano, L.; Shah, K.

2014-09-01

TlBr radiation detector operation degrades with time at room temperature and is thought to be due to electromigration of Tl and Br vacancies within the crystal as well as the metal contacts migrating into the TlBr crystal itself due to electrochemical reactions at the metal/TlBr interface. X-ray photoemission spectroscopy (XPS) was used to investigate the metal contact surface/interfacial structure on TlBr devices. Device-grade TlBr was polished and subjected to a 32% HCl etch to remove surface damage prior to Mo or Pt contact deposition. High-resolution photoemission measurements on the Tl 4f, Br 3d, Cl 2p, Mo 3d and Pt 4f core lines were used to evaluate surface chemistry and non-equilibrium interfacial diffusion. Results indicate that anion substitution at the TlBr surface due to the HCl etch forms TlBr1-xClx with consequent formation of a shallow heterojunction. In addition, a reduction of Tl1+ to Tl0 is observed at the metal contacts after device operation in both air and N2 at ambient temperature. Understanding contact/device degradation versus operating environment is useful for improving radiation detector performance.

Experimental Determination of the Ionization Energy in TlBr

NASA Astrophysics Data System (ADS)

Hitomi, Keitaro; Onodera, Toshiyuki; Kim, Seong-Yun; Shoji, Tadayoshi; Ishii, Keizo

2015-06-01

The average ionization energy required to excite an electron-hole pair in TlBr was estimated to be 5.50 ± 0.05 eV by comparing the peak position of 59.5-keV gamma rays obtained from four pixels of a pixelated TlBr detector to the peak position obtained from a Si PIN photodiode at room temperature.

High-Capacity Mg-Organic Batteries Based on Nanostructured Rhodizonate Salts Activated by Mg-Li Dual-Salt Electrolyte.

PubMed

Tian, Jing; Cao, Dunping; Zhou, Xuejun; Hu, Jiulin; Huang, Minsong; Li, Chilin

2018-04-24

A magnesium battery is a promising candidate for large-scale transportation and stationary energy storage due to the security, low cost, abundance, and high volumetric energy density of a Mg anode. But there are still some obstacles retarding the wide application of Mg batteries, including poor kinetics of Mg-ion transport in lattices and low theoretical capacity in inorganic frameworks. A Mg-Li dual-salt electrolyte enables kinetic activation by dominant intercalation of Li-ions instead of Mg-ions in cathode lattices without the compromise of a stable Mg anode process. Here we propose a Mg-organic battery based on a renewable rhodizonate salt ( e. g., Na 2 C 6 O 6 ) activated by a Mg-Li dual-salt electrolyte. The nanostructured organic system can achieve a high reversible capacity of 350-400 mAh/g due to the existence of high-density carbonyl groups (C═O) as redox sites. Nanocrystalline Na 2 C 6 O 6 wired by reduced graphene oxide enables a high-rate performance of 200 and 175 mAh/g at 2.5 (5 C) and 5 A/g (10 C), respectively, which also benefits from a high intrinsic diffusion coefficient (10 -12 -10 -11 cm 2 /s) and pesudocapacitance contribution (>60%) of Na 2 C 6 O 6 for Li-Mg co-intercalation. The suppressed exfoliation of C 6 O 6 layers by a firmer non-Li pinning via Na-O-C or Mg-O-C and a dendrite-resistive Mg anode lead to a long-term cycling for at least 600 cycles. Such an extraordinary capacity/rate performance endows the Mg-Na 2 C 6 O 6 system with high energy and power densities up to 525 Wh/kg and 4490 W/kg (based on active cathode material), respectively, exceeding the level of high-voltage insertion cathodes with typical inorganic structures.

Ultrasonic and elastic properties of Tl- and Hg-Based cuprate superconductors: a review

NASA Astrophysics Data System (ADS)

Abd-Shukor, R.

2018-01-01

This review is regarding the ultrasonic and elastic properties of Tl- and Hg-based cuprate superconductors. The objectives of this paper were to review the ultrasonic attenuation above the transition temperature ?, and sound velocity and elastic anomalies at ? in the Tl- and Hg-based cuprate superconductors. A discontinuity in the sound velocity and elastic moduli is observed near ? for the Hg-based and other cuprate high temperature superconductor but not the Tl-based superconductor. Ultrasonic attenuation peaks are observed between 200 and 250 K in almost all Tl- and Hg-based cuprate superconductors reported. These peaks were attributed to lattice stepping and oxygen ordering in the Tl-O and Hg-O layers. Some Tl- and Hg-based superconductors show attenuation peak near ?. However, this is not a common feature for the cuprate superconductors. The ultrasonic attenuation decrease rate below ? is slower than that expected from a Bardeen-Cooper-Schrieffer (BCS) and pseudo-gapped superconductor.

Biochemical and Structural Characterization of the Human TL1A Ectodomain†¶

PubMed Central

Zhan, Chenyang; Yan, Qingrong; Patskovsky, Yury; Li, Zhenhong; Toro, Rafael; Meyer, Amanda; Cheng, Huiyong; Brenowitz, Michael; Nathenson, Stanley G; Almo, Steven C

2009-01-01

TNF-like 1A (TL1A) is a newly described member of the TNF superfamily that is directly implicated in the pathogenesis of autoimmune diseases, including inflammatory bowel disease, atherosclerosis and rheumatoid arthritis. We report the crystal structure of the human TL1A extracellular domain at a resolution of 2.5 Å, which reveals a jelly-roll fold typical of the TNF superfamily. This structural information, in combination with complementary mutagenesis and biochemical characterization, provides insights into the binding interface and the specificity of the interactions between TL1A and the DcR3 and DR3 receptors. These studies suggest that the mode of interaction between TL1A and DcR3 differs from other characterized TNF ligand/receptor complexes. In addition, we have generated functional TL1A mutants with altered disulfide bonding capability that exhibit enhanced solution properties, which will facilitate the production of materials for future cell-based and whole animal studies. In summary, these studies provide insights into the structure and function of TL1A and provide the basis for the rational manipulation of its interactions with cognate receptors. PMID:19522538

Calibration of 4π NaI(Tl) detectors with coincidence summing correction using new numerical procedure and ANGLE4 software

NASA Astrophysics Data System (ADS)

Badawi, Mohamed S.; Jovanovic, Slobodan I.; Thabet, Abouzeid A.; El-Khatib, Ahmed M.; Dlabac, Aleksandar D.; Salem, Bohaysa A.; Gouda, Mona M.; Mihaljevic, Nikola N.; Almugren, Kholud S.; Abbas, Mahmoud I.

2017-03-01

The 4π NaI(Tl) γ-ray detectors are consisted of the well cavity with cylindrical cross section, and the enclosing geometry of measurements with large detection angle. This leads to exceptionally high efficiency level and a significant coincidence summing effect, much more than a single cylindrical or coaxial detector especially in very low activity measurements. In the present work, the detection effective solid angle in addition to both full-energy peak and total efficiencies of well-type detectors, were mainly calculated by the new numerical simulation method (NSM) and ANGLE4 software. To obtain the coincidence summing correction factors through the previously mentioned methods, the simulation of the coincident emission of photons was modeled mathematically, based on the analytical equations and complex integrations over the radioactive volumetric sources including the self-attenuation factor. The measured full-energy peak efficiencies and correction factors were done by using 152Eu, where an exact adjustment is required for the detector efficiency curve, because neglecting the coincidence summing effect can make the results inconsistent with the whole. These phenomena, in general due to the efficiency calibration process and the coincidence summing corrections, appear jointly. The full-energy peak and the total efficiencies from the two methods typically agree with discrepancy 10%. The discrepancy between the simulation, ANGLE4 and measured full-energy peak after corrections for the coincidence summing effect was on the average, while not exceeding 14%. Therefore, this technique can be easily applied in establishing the efficiency calibration curves of well-type detectors.

Investigation of LiF, Mg and Ti (TLD-100) Reproducibility

PubMed Central

Sadeghi, M.; Sina, S.; Faghihi, R.

2015-01-01

LiF, Mg and Ti cubical TLD chips (known as TLD-100) are widely used for dosimetry purposes. The repeatability of TL dosimetry is investigated by exposing them to doses of (81, 162 and 40.5 mGy) with 662keV photons of Cs-137. A group of 40 cubical TLD chips was randomly selected from a batch and the values of Element Correction Coefficient (ECC) were obtained 4 times by irradiating them to doses of 81 mGy (two times), 162mGy and 40.5mGy. Results of this study indicate that the average reproducibility of ECC calculation for 40 TLDs is 1.5%, while these values for all chips do not exceed 5%. PMID:26688801

Study on Effects of Gamma-Ray Irradiation on TlBr Semiconductor Detectors

NASA Astrophysics Data System (ADS)

Matsumura, Motohiro; Watanabe, Kenichi; Yamazaki, Atsushi; Uritani, Akira; Kimura, Norihisa; Nagano, Nobumichi; Hitomi, Keitaro

Radiation hardness of thallium bromide (TlBr) semiconductor detectors to 60Co gamma-ray irradiation was evaluated. The energy spectra and μτ products of electrons were measured to evaluate the irradiation effects. No significant degradation of spectroscopic performance of the TlBr detector for 137Cs gamma-rays was observed up to 45 kGy irradiation. Although the μτ products of electrons in the TlBr detector slightly decreased, position of the photo-peak was stable without significant degradation after the gamma-ray irradiation. We confirmed that the TlBr semiconductor detector has a high tolerance for gamma-ray irradiation at least up to 45 kGy.

The stability of TlBr detectors at low temperature

NASA Astrophysics Data System (ADS)

Dönmez, Burçin; He, Zhong; Kim, Hadong; Cirignano, Leonard J.; Shah, Kanai S.

2010-11-01

Thallium bromide (TlBr) is a promising semiconductor detector material due to its high atomic number (Tl: 81, Br: 35), high density (7.56 g/cm 3) and wide band gap (2.68 eV). Current TlBr detectors suffer from polarization, which causes performance degradation over time when high voltage is applied. A 4.6-mm thick TlBr detector with pixellated anodes made by Radiation Monitoring Devices Inc. was used in the experiments. The detector has a planar cathode and nine anode pixels surrounded by a guard ring. The pixel pitch is 1.0-mm. Digital pulse waveforms of preamplifier outputs were recorded using a multi-channel GaGe PCI digitizer board for pulse shaping. Several experiments were carried out at -20 °C while the detector was under bias for over a month. No polarization effect was observed and the detector's spectroscopic performance improved over time. Energy resolution of 1.5% FWHM at 662 keV has been measured without depth correction at -2000 V cathode bias. Average electron mobility-lifetime of (5.7±0.8) ×10 -3 cm 2/V has been measured from four anode pixels.

Exploring the SoTL Landscape at the University of Saskatchewan

ERIC Educational Resources Information Center

Wuetherick, Brad; Yu, Stan; Greer, Jim

2016-01-01

This paper presents the results of a quantitative study that comprehensively assessed the level and extent to which the Scholarship of Teaching and Learning (SoTL) was being conducted amongst faculty and staff at the University of Saskatchewan, and identifies the barriers and challenges faced by SoTL practitioners.

Use of a Si(Li) detector as β spectrometer.

PubMed

Dryák, P; Kovář, P

2014-05-01

The aim of this work is to demonstrate the capability of a Si(Li) detector for the measurement of β spectra, despite the energy absorption in air and in the Be window. A simple source holder fixes the source on the symmetry axis at 3mm from the detector window. The β-sources are produced by evaporation on a plastic backing plate. Absorbing materials between the source and the sensitive volume of the detector are 3 mm of air, a Be window, 0.1 μm Si and 20 nm of gold. A model of the detector was created for β spectra simulation using the MCNP 4A code. Experimental spectra of (14)C, (147)Pm, (204)Tl, (90)Sr/(90)Y were compared with simulated spectra. © 2013 Published by Elsevier Ltd.

Eco-Efficient Synthesis of Highly Porous CoCO3 Anodes from Supercritical CO2 for Li+ and Na+ Storage.

PubMed

Li, Hui-Ying; Tseng, Chuan-Ming; Yang, Cheng-Hsien; Lee, Tai-Chou; Su, Ching-Yuan; Hsieh, Chien-Te; Chang, Jeng-Kuei

2017-06-09

An eco-efficient synthetic route for the preparation of high-performance carbonate anodes for Li + and Na + batteries is developed. With supercritical CO 2 (scCO 2 ) as the precursor, which has gas-like diffusivity, extremely low viscosity, and near-zero surface tension, CoCO 3 particles are uniformly formed and tightly connected on graphene nanosheets (GNSs). This synthesis can be conducted at 50 °C, which is considerably lower than the temperature required for conventional preparation methods, minimizing energy consumption. The obtained CoCO 3 particles (ca. 20 nm in diameter), which have a unique interpenetrating porous structure, can increase the number of electroactive sites, promote electrolyte accessibility, shorten ion diffusion length, and readily accommodate the strain generated upon charging/discharging. With a reversible capacity of 1105 mAh g -1 , the proposed CoCO 3 /GNS anode shows an excellent rate capability, as it can deliver 745 mAh g -1 in 7.5 min. More than 98 % of the initial capacity is retained after 200 cycles. These properties are clearly superior to those of previously reported CoCO 3 -based electrodes for Li + storage, indicating the merit of our scCO 2 -based synthesis, which is facile, green, and can be easily scaled up for mass production. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modified structural characteristics and enhanced electrochemical properties of oxygen-deficient Li2MnO3-δ obtained from pristine Li2MnO3

NASA Astrophysics Data System (ADS)

Tan, Xiao; Liu, Rui; Xie, Congxin; Shen, Qiang

2018-01-01

Lithium-rich manganese(IV) oxide Li2MnO3 has hardly any activity as the cathode active substance of lithium-ion batteries (LIBs) but its reversible capacity can be greatly improved by introducing oxygen deficiencies. After the solid-state heat treatment of nanocrystalline Li2MnO3 by sodium borohydride (NaBH4), the resulting Li2MnO3-δ crystallites comparatively acquire distinguishable appearances in color and shape and slight differences in surface composition and lattice structure. As a LIB cathode within the potential range of 2.5-4.7 V, at 20 mA g-1 pristine Li2MnO3 gives the specific discharge capacities of 3.3, 5.0 and 7.4 mAh·g-1 in the 1st, 10th and 100th cycles, while the derivative Li2MnO3-δ delivers the relatively high values of 64.8, 103.8 and 140.2 mAh·g-1 in the 1st, 10th and 120th cycles, respectively. Aside from the similar phenomenon of gradual electrochemical activation, substituting Li2MnO3-δ for Li2MnO3 means the great enhancements of charge-transfer ability and electrochemical performances. Especially, the cationic-anionic redox mechanisms of Li2MnO3 and Li2MnO3-δ are similar to each other, suggesting a possible solution to prepare high-performance xLi2MnO3-δ·(1-x)LiMO2 solid solutions for application purposes.