On thermal expansion of RbD2PO4, CsH2PO4 and CsDrPO4 crystals

International Nuclear Information System (INIS)

Vlokh, O.G.; Shchur, Ya.I.; Klymiv, I.M.

1994-01-01

Thermal expansion of RbD 2 PO 4 , CsH 2 PO 4 , CsD 2 PO 4 crystals in a wide range of temperatures embracing points of phase transitions was studied. An explanation of anomalous behaviour of thermal expansion factor along directions b and c in the course of RbD 2 PO 4 transfer into intermediate phase was suggested. 10 refs., 4 figs

Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}, and Cs{sub 7}[Fe{sub 4}Se{sub 8}]. Missing links of known chalcogenido ferrate series

Energy Technology Data Exchange (ETDEWEB)

Stueble, Pirmin; Roehr, Caroline [Institut fuer Anorganische und Analytische Chemie, Universitaet Freiburg (Germany)

2017-11-17

The three cesium selenido ferrate title compounds with an Se:Fe ratio of 2:1 were synthesized from stoichiometric samples reacting elemental Cs either (A) with Fe and Se in a double-crucible setup (Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}) or (B) with previously prepared FeSe{sub 2} (Cs{sub 3}[FeSe{sub 2}]{sub 2}, Cs{sub 7}[Fe{sub 4}S{sub 8}]) (T{sub max} = 800-1000 C). The pure Fe{sup III} ferrate Cs[FeSe{sub 2}] crystallizes in the Tl[FeSe{sub 2}] type [monoclinic, space group C2/m, a = 1392.95(10), b = 564.43(3), c = 737.44(6) pm, β = 119.163(5) , Z = 4, R{sub 1} = 0.0550]. It is thus not isotypic to all other alkali ferrates(III) A[FeS{sub 2}] and A[FeSe{sub 2}] containing chains of edge-sharing tetrahedra, but crystallizes in a t2 subgroup of the Immm structure of Cs[FeS{sub 2}]. The mixed-valent chain compound Cs{sub 3}[FeSe{sub 2}]{sub 2} is isotypic to its sulfido analogue [orthorhombic, space group Pnma, a = 777.88(6), b = 1151.02(6), c = 1341.61(7) pm, Z = 4, R{sub 1} = 0.0470]. In contrast to the isopunctal Na{sub 3}[FeSe{sub 2}]{sub 2} type K/Rb compounds the chains are only slightly corrugated. The monoclinic, likewise mixed-valent Fe{sup II/III} selenido ferrate Cs{sub 7}[Fe{sub 4}Se{sub 8}] [monoclinic, space group C2/c, a = 1953.79(10), b = 879.71(5), c = 1717.03(10) pm, β = 117.890(2) , Z = 4, R{sub 1} = 0.0816] is isostructural both to the cesium sulfido and tellurido compound. The structure contains oligomeric moieties of four edge sharing [FeSe{sub 4}] tetrahedra forming slightly distorted tetrahedral clusters [Fe{sub 4}Se{sub 8}]{sup 7-}, which are surrounded by a cube of 26 Cs cations. Based on a structure map, the crystal chemistry of the three title compounds is discussed together with all chain/cluster ferrates of the general series A{sub 1+x}[Fe{sup III}{sub 1-x}Fe{sup II}{sub x}Q{sub 2}] (x = 0-1; A = Na, K, Rb, Cs; Q = S, Se, Te). (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

One-dimensional zinc selenophosphates: A_2ZnP_2Se_6 (A = K, Rb, Cs)

International Nuclear Information System (INIS)

Haynes, Alyssa S.; Lee, Katherine; Kanatzidis, Mercouri G.

2016-01-01

The new compounds A_2ZnP_2Se_6 (A = K, Rb, Cs) were synthesized via molten salt flux syntheses. The crystals feature one-dimensional "1/_∞[ZnP_2Se_6]"2"- chains charge balanced by alkali metal ions between the chains. K_2ZnP_2Se_6 crystallizes in the monoclinic space group P2_1/c; cell parameters a = 12.537(3) Aa, b = 7.2742(14) Aa, c = 14.164(3) Aa, β = 109.63(3) , Z = 4, and V = 1216.7(4) Aa"3. Rb_2ZnP_2Se_6 and Cs_2ZnP_2Se_6 are isotypic, crystallizing in the triclinic space group P anti 1. Rb_2ZnP_2Se_6 has cell parameters of a = 7.4944(15) Aa, b = 7.6013(15) Aa, c = 12.729(3) Aa, α = 96.57(3) , β = 105.52(3) , γ = 110.54(3) , Z = 2, and V = 636.6(2) Aa"3. Cs_2ZnP_2Se_6 has cell parameters of a = 7.6543(6) Aa, b = 7.7006(6) Aa, c = 12.7373(11) Aa, α = 97.007(7) , β = 104.335(7) , γ = 109.241(6) , Z = 2, and V = 669.54(10) Aa"3. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Hydrothermal synthesis and crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}

Energy Technology Data Exchange (ETDEWEB)

Shen, Chen; Mei, Dajiang; Sun, Chuanling; Liu, Yunsheng; Wu, Yuandong [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science (China)

2017-09-04

The selenites, Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4}, were synthesized under hydrothermal conditions. The crystal structures of Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O and Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} were determined by single-crystal X-ray diffractions. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Aa, and Z = 2, whereas Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Aa, and Z = 2. Na{sub 2}Be{sub 3}(SeO{sub 3}){sub 4}.H{sub 2}O features a three-dimensional open framework structure formed by BeO{sub 4} tetrahedra and SeO{sub 3} trigonal pyramids. Na cations and H{sub 2}O molecules are located in different tunnels. Cs{sub 2}[Mg(H{sub 2}O){sub 6}]{sub 3}(SeO{sub 3}){sub 4} has a structure composed of isolated [Mg(H{sub 2}O){sub 6}] octahedra and SeO{sub 3} trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in-between. Both compounds were characterized by thermogravimetric analysis and FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The Cs2SO4-Ce2(SO4)3-H2SO4-H2O system at 150 and 200 deg C

International Nuclear Information System (INIS)

Bondar', S.A.; Belokoskov, V.I.; Trofimov, G.V.

1982-01-01

Solubility in the system Cs 2 SO 4 -Ce 2 (SO 4 ) 3 -H 2 SO 4 -H 2 O using the isothermal method at 150 and 200 deg C at molar ratios Cs 2 SO 4 :Ce 2 (SO 4 ) 3 =1:5 and conditions of sulfate crystallization Cs 2 SO 4 xCe 2 (SO 4 ) 3 , Ce 2 (SO 4 ) 3 x0.5H 2 SO 4 xnH 2 O (n=2-3) and Ce 2 (SO 4 ) 3 x3H 2 SO 4 are determined. Double sulfate Cs 2 SO 4 xCe 2 (SO 4 ) 3 is studied using the methods of crystallooptical, thermal, X-ray phase analyses and IR spectroscopy

The first quinary rare earth thiophosphates. Cs{sub 5}Ln{sub 3}X{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) (Ln = La, Ce, X = Br, Cl) and the quasi-quaternary Cs{sub 10}Y{sub 4}Cl{sub 10}(P{sub 2}S{sub 6}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Schoop, Leslie Mareike; Eger, Roland; Nuss, Juergen; Pielnhofer, Florian [Max Planck Institute for Solid State Research, Stuttgart (Germany); Lotsch, Bettina Valeska [Max Planck Institute for Solid State Research, Stuttgart (Germany); Nanosystems Initiative Munich (NIM) and Center for Nanoscience, Muenchen (Germany)

2017-12-13

We report the first examples of quinary rare earth thiophosphates with a fully ordered cation and anion distribution, Cs{sub 5}Ln{sub 3}X{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}), (Ln = La, Ce and X = Br, Cl) as well as the quasi-quaternary Cs{sub 10}Y{sub 4}Cl{sub 10}(P{sub 2}S{sub 6}){sub 3}. These four new compounds crystallize in three different, unknown structure types. The yellowish, transparent, brittle Cs{sub 5}Ce{sub 3}Br{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) crystallizes in the orthorhombic space group Pnma (no. 62) with a = 13.276(3), b = 14.891(3), c = 19.593(4) Aa, and V = 3873(1) Aa{sup 3} in a novel structure type. Colorless crystals of Cs{sub 5}La{sub 3}Br{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) and Cs{sub 5}La{sub 3}Cl{sub 3}(P{sub 2}S{sub 6}){sub 2}(PS{sub 4}) are isotypic and were obtained in the monoclinic space group P2{sub 1}/m (no. 11) with a = 9.715(2), b = 14.310(3), c = 13.685(3) Aa, β = 100.16(3) and V = 1873(1) Aa{sup 3} and a = 9.513(2), b = 14.182(3), c = 13.699(3) Aa, β = 99.39(3) and V = 1823(1) Aa{sup 3}, respectively. Both structures contain isolated hexathiohypodiphosphate(IV) [P{sub 2}S{sub 6}]{sup 4-} and thiophosphate [PS{sub 4}]{sup 3-} units that are arranged alternately in layers. Cs{sub 10}Y{sub 4}Cl{sub 10}(P{sub 2}S{sub 6}){sub 3} crystallizes in colorless transparent platelets in the orthorhombic space group Pnnm (no. 58) with a = 13.153(3), b = 28.964(6), c = 7.780(2) Aa, and V = 2964(1) Aa{sup 3}. The structure is composed of isolated [P{sub 4/2}S{sub 6}]{sup 4-} octahedra containing four half occupied P positions surrounded octahedrally by sulfur. We show with Raman scattering that this disordered thiophosphate anion shows a Raman spectrum that is distinct from spectra published for other literature-known thiophosphate anions. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Hydrothermal synthesis and crystal structure of CsFe23(HPO4)2(PO4)(H2O)

International Nuclear Information System (INIS)

Anisimova, N.Yu.; Ilyukhin, A.B.; Chudinova, N.N.; Serafin, M.

2001-01-01

The double acid iron-cesium orthophosphate CsFe 2 3 (HPO 4 ) 2 (PO 4 )(H 2 O) was prepared by hydrothermal synthesis (from the Fe 2 O 3 , Cs 2 CO 3 and H 3 PO 4 mixture at 290 Deg C during 1 h following by cooling to 25 Deg C). Its crystal structure (a = 5.021(3), b = 15.80(1), c = 13.646(8), β 94.49(4) Deg, sp. gr. P2 1 /n, Z = 4) was analyzed by X-ray diffraction. The structure is formed by the orthophosphate tetrahedrons and the FeO 6 octahedrons, the water molecule is coordinated by the iron atom [ru

Thermal neutrons thermoluminescence dosimetry using CaF2 + KBr e CaSO4: Dy + Br

International Nuclear Information System (INIS)

Leite, A.M.P.

1979-01-01

Cold-pressed samples of CaF 2 + KBr and CaSO 4 :Dy + KBr have been used in the thermal neutron detection by the thermoluminescence technique. The amount of 100 mg of the TL phosphor added to 80 mg of KBr showed to be the optimum mixture regarding sensitivity as well as the handling of the dosimeters. The detection is based on the self-irradiation of the phosphor by the Br isotopes activated by exposure to a neutron-gama field. The prompt dose and consequentely the gama contribution are erased by post-irradiation thermal annealing. A linear dependence has been found between the TL self-induced signal and the thermal neutron flux in the range 10 6 n.cm -2 .seg -1 -10 -12 n.cm -2 .seg -1 . The minimum detectable fluence has benn determined as 10 9 n.cm -2 and 10 6 n.cm -2 using pellets of CaF 2 + KBr and CaSO 4 :Dy + KBr, respectively. The main results suggest the use of CaSO 4 :Dy + KBr pellets and TL as a complementary technique for thermal neutron detection. (author) [pt

Elastic properties of Cs2HgBr4 and Cs2CdBr4 crystals

International Nuclear Information System (INIS)

Kityk, A.V.; Zadorozhna, A.V.; Shchur, Y.I.; Martynyuk-Lototska, Y.I.; Burak, Y.; Vlokh, O.G.

1998-01-01

Using ultrasonic velocity measurements, all components of the elastic constant matrix C ij , elastic compliances matrix S ij , and linear compressibility constants matrix K ij of orthorhombic Cs 2 HgBr 4 and Cs 2 CdBr 4 crystals have been determined over a wide temperature range, including the region of the phase transition from the normal to the incommensurate phase. Results obtained are considered within the framework of the phenomenological theory. Preliminary analysis of the acoustical properties at room temperature clearly indicates that both crystals are relatively important materials for acousto-optical applications. Copyright (1998) CSIRO Australia

An investigation of the thermal conductivity of Cs2MoO4

International Nuclear Information System (INIS)

Ishii, T.; Mizuno, T.

1997-01-01

The thermal diffusivity of 82.6% TD and 89.3% TD Cs 2 MoO 4 was measured by the laser flash method and the thermal conductivity was calculated. The thermal conductivity of these Cs 2 MoO 4 ranged from 0.3 to 0.5 W m -1 K -1 . The density dependence of the thermal conductivity was correlated based on the experimental values of these two densities and on the 94.3% TD specimen from the preceding study. The correlation of the thermal conductivity of Cs 2 MoO 4 is k=(1.0-1.848 x P)/(1.0-1.848 x P ref ) x k ref , where k ref =132.56/T+0.03+3.2 x 10 -10 x T 3 , P ref =1.0-0.943=0.057 and k and k ref are the thermal conductivities (Wm -1 K -1 ) of Cs 2 MoO 4 with the porosities P and P ref , respectively, where P ref is the porosity for the 94.3% TD Cs 2 MoO 4 . T is the temperature (K). This correlation is applicable for 82.6 to 94.3% TD Cs 2 MoO 4 from 873 to 1023 K. (orig.)

Radiative transitions for the Cs2NaErCl6 elpasolite crystal. II.- Vibronic intensities for the emissions |(4S3/2Γ8]→4I15/2Γ] in the Cs2NaErCl6

International Nuclear Information System (INIS)

Acevedo, R.; Escudero, M; Navarro, G; Meruane, T

2002-01-01

We have recently reported explicit vibronic intensity calculations for the emissions |( 4 I 15/ ) Γ k ]→|( 4 I 13/2 )Γ l ] of Er 3+ in the Cs 2 NaErCl 6 elpasolite system. The experimental evidence indicates than over an energy range of about 400cm -1 , a substantial number of transitions take place (about one hundred excitations; twenty five of them are magnetic dipole allowed whereas the remaining seventy five are vibronically allowed in character). The spectrum is very complex indeed and the superposition of various spectral features is most likely to occur and this represents a serious challenge to theoreticians. For this system, there is solid evidence which indicates that for the |( 4 S 3/2 )Γ 8 ]→|( 4 I 15/2 )Γ] transitions, where Γ=Γ 6 , Γ 7 , Γ 8 a , Γ 8 b , Γ 8 c , the most intense features of the spectrum are assigned to one photon electric-dipole vibronic excitations, involving the v 3 (stretching; τ 1u ), v 4 (bending; τ 1u ) and v 6 (bending; τ 2u ) moiety modes of the ErCl 3- 6 clusters in the crystal. It is the aim of this paper to explain on both a qualitative and a quantitative basis the rather unexpected high intensity with these type of transitions for which the static selection rule ΔJ=6 is operative. To achieve our goals, we introduce an intensity path and/or mechanism, according to the following radiative decay cascade: |( S 3/2 )Γ 8 ]→|( 4 I 11/2 )Γ']→|( 4 I 15/2 )]. It is shown that when this mechanism is adopted, then the calculated overall spectral intensity due to the three false origins (v 3 , v 4 , v 6 ) is in a fairly good agreement with experiment (author)

Absorption spectra of CsNd(MoO4)2 and CsGd(MoO4)2-Nd3+ crystals in strong magnetic fields

International Nuclear Information System (INIS)

Gorban', I.S.; Kozeeva, L.P.; Slobodyanyuk, A.V.; Shevchenko, V.A.

1987-01-01

The comparison of the electronic structure of Nd 3+ in CsNd(MoO 4 ) 2 and CsGd(MoO 4 ) 2 - Nd 3+ crystals is made. It is established that in these crystals the activator centers, mainly, of the certain type with the symmetry of the local environment C 2 are formed. The absorption spectra of self-activated CsNd(MoO 4 ) 2 crystal differ from spectra of CsGd(MoO 4 ) 2 - Nd 3+ by the presence of the vibrating structure. The Stark splittings of energy levels of Nd 3+ in the investigated crystalline matrices are more sensitive to the environment effect than the Zeeman ones. The ground state of Nd 3+ ion in CsNd(MoO 4 ) 2 and CsGd(MoO 4 ) 2 molybdates is characterized by the similar values of g-factors

Ion conductivities of ZrF4-BaF2-CsF glasses

International Nuclear Information System (INIS)

Kawamoto, Yoji; Nohara, Ichiro

1987-01-01

The glass-forming region in the ZrF 4 -BaF 2 -CsF glass system has been determined and the ac conductivity and the transport number of fluoride ions have been measured. The conductivities of compounds β-Cs 2 ZrF 6 , α-SrZrF 6 , α-BaZrF 6 , β-BaZrF 6 and α-PbZrF 6 have also been measured. These results and a previous study of ZrF 4 -BaF 2 -MF n (M: the groups I-IV metals) glasses revealed the following: (1) the ZrF 4 -BaF 2 -CsF glasses are exclusively fluoride-ion conductors; (2) the ionic conductivities of ZrF 4 -based glasses are predominantly determined by the activation energies for conduction; (3) the activation energy for conduction decreases with an increase in the average polarizability of glass-constituting cations; (4) a decrease in average Zr-F bond length and a lowering of the average F coordination number of Zr are presumed to increase the activation energy for conduction. Principles of developing ZrF 4 -based glasses with higher conductivities have also been proposed. (Auth.)

Cs2SeO4-UO2SeO4-H2O system at 25 deg C

International Nuclear Information System (INIS)

Serezhkina, L.B.; Serezhkin, V.N.

1987-01-01

Using the method of isothermal solubility at 25 deg C the interaction of cesium and uranyl selenates in aqueous solution is studied. Formation of congruently soluble Cs 2 UO 2 (SeO 4 ) 2 x2H 2 O and Cs 2 (UO 2 ) 2 x(SeO 4 ) 3 is ascertained, their crystallographic characteristics being determined

Crystal field effect in the uranium compounds - model calculations for CsUF/sub 6/, Cs/sub 2/UCl/sub 6/ and UCl/sub 4/

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z.; Mulak, J.; Faucher, M.

1987-01-01

A practical crystal field model allowing one to estimate the crystal field parameters from first principles is presented and applied to the actinide compounds. The model results directly from the renormalization (and reduction) procedure of the true Schroedinger equation for an effective Hamiltonian acting on the 5f spin-orbitals only. In practice this approach becomes convergent with the ab initio model of Newman. Three ionic uranium compounds: CsUF/sub 6/, Cs/sub 2/UCl/sub 6/ and UCl/sub 4/ have served as examples of the application. The results obtained, particularly for the first two compounds, are in good agreement with the experimental data. The contributions of different mechanisms responsible for the crystal field effect are discussed.

Positronium formation in CS2 and C6F6 mixtures with triethylamine or tetrahydrofuran

International Nuclear Information System (INIS)

Zhicheng Zhang; Ito, Yasuo; Tabata, Yoneho

1990-01-01

Positronium (Ps) yields were measured for CS 2 /THF, CS 2 /TEA, C 6 F 6 THF and C 6 F 6 /TEA mixtures. Addition of C 6 F 6 or CS 2 into TEA or THF showed a similar influence which induces a decrease of Ps yield. This is ascribed to the non-dissociative electron scavenging by both CS 2 and C 6 F 6 . On the other hand, the effect of addition of TEA and THF has been found to be different for C 6 F 6 and CS 2 , i.e. both TEA and THF did not change Ps yield in CS 2 substantially, while they caused a sharp decrease of Ps yield in C 6 F 6 . The latter sharp decreases was ascribed to quenching of excited state of C 6 F 6 . This interpretation is supported by pulse radiolysis emission measurements for the same system, in which it was found that TEA quenches the excited state of C 6 F 6 efficiently. (author)

Luminescence Properties of CaF2 Nanostructure Activated by Different Elements

Directory of Open Access Journals (Sweden)

Numan Salah

2015-01-01

Full Text Available Nanostructures of calcium fluoride (CaF2 doped with Eu, Tb, Dy, Cu, and Ag were synthesized by the coprecipitation method and studied for their thermoluminescence (TL and photoluminescence (PL properties. The PL emission spectrum of pure CaF2 nanostructure has a broad band in the 370–550 nm range. Similar spectra were observed in case of doped samples, beside extra bands related to these impurities. The maximum PL intensity was observed in Eu doped sample. The TL results of Eu, Cu, Ag, and Tb doped samples show weak glow peaks below 125°C, whereas Dy doped one is found to be highly sensitive with a prominent peak at 165°C. This sample was further exposed to a wide range of gamma rays exposures from 137Cs source. The response curve is linear in the 100 Gy-10 kGy range. It is also observed that the particle size of CaF2 nanostructure was significantly reduced by increasing Dy concentration. These results showed that Dy is a proper activator in the host of CaF2 nanostructure, providing a highly sensitive dosimeter in a wide range of exposures and also plays a role as a controlling agent for particle size growth.

Thermal, conductivity, NMR, and Raman spectroscopic measurements and phase diagram of the Cs2S2O7-CsHSO4 system

DEFF Research Database (Denmark)

Rasmussen, Søren Birk; Hama, Hind; Lapina, Olga

2003-01-01

The conductivity of the binary system CS2S2O7-CsHSO4 has been measured at 20 different molten compositions in the full composition range and in the temperature range 430-750 K. From the obtained liquidus-solidus phase transition temperatures, the phase diagram has been constructed. It is of the s......The conductivity of the binary system CS2S2O7-CsHSO4 has been measured at 20 different molten compositions in the full composition range and in the temperature range 430-750 K. From the obtained liquidus-solidus phase transition temperatures, the phase diagram has been constructed...... from the NMR measurements on CsHSO4, CS2S2O7, and Cs2S2O7-CsHSO4 mixtures. For 11 selected compositions covering the entire composition range of the CS2S2O7-CsHSO4 binary system, the conductivity of the molten state has been expressed by equations of the form k(X) = A(X) + B(X)(T - T-m) + C(X)(T - T...

Absorption spectra and Faraday effect in Cs2NaNdCl6 and Cs2NaPrCl6 crystals

International Nuclear Information System (INIS)

Ehdel'man, I.S.; Galanov, E.K.; Kokov, I.T.; Malakhovskij, A.V.; Anistratov, A.T.

1985-01-01

The paper is devoted to studying absorption spectra and the Faraday effect in Cs 2 NaNdCl 6 and Cs 2 NaPrCl 6 crystals. The absorption spectra and Faraday effect were measured at room temperature in the range of 9000-30000 cmsup(-1) (0.33-1.2 μm) in 0-10 kOe magnetic fields. The absorption spectra produced contain several groups of intense absorption bands resulted from intraconfiguration electron transitions in rare-earth cations. The Faraday spectra in the whole range studied for both crystals have the form of smoothly dipping curves when increasing wavelength. The form of these curves testifies to prevailing contribution of strong electron transitions lying in a nearer UV region to the Faraday effect

Conductivity And Thermal Stability of Solid Acid Composites CsH2PO4 /NaH2PO4/ SiO2

International Nuclear Information System (INIS)

Norsyahida Mohammad; Abu Bakar Mohamad; Abu Bakar Mohamad; Abdul Amir Hassan Kadhum

2016-01-01

Solid acid composites CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 with different mole ratios of CsH 2 PO 4 and NaH 2 PO 4 to SiO 2 were synthesized and characterized. Preliminary infrared measurements of CsH 2 PO 4 and its composites indicated that hydrogen bonds breaking and formation were detected between 1710 to 2710 cm -1 , while the rotation of phosphate tetrahedral anions occurred between 900 and 1200 cm -1 . The superprotonic transition of CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 composite was identified at superprotonic temperatures between 230 and 260 degree Celcius, under atmospheric pressure. This study reveals higher conductivity values for composites with higher CsH 2 PO 4 (CDP) content. Solid acid composite CDP 613 appeared as the composite with the highest conductivity that is 7.2x10 -3 S cm -1 at 230 degree Celcius. Thermal stability of the solid acid composites such as temperature of dehydration, melting and decomposition were investigated. The addition of NaH 2 PO 4 lowers the dehydration temperature of the solid acid composites. (author)

One-dimensional zinc selenophosphates: A{sub 2}ZnP{sub 2}Se{sub 6} (A = K, Rb, Cs)

Energy Technology Data Exchange (ETDEWEB)

Haynes, Alyssa S.; Lee, Katherine; Kanatzidis, Mercouri G. [Department of Chemistry, Northwestern University, Evanston, IL (United States)

2016-09-15

The new compounds A{sub 2}ZnP{sub 2}Se{sub 6} (A = K, Rb, Cs) were synthesized via molten salt flux syntheses. The crystals feature one-dimensional {sup 1}/{sub ∞}[ZnP{sub 2}Se{sub 6}]{sup 2-} chains charge balanced by alkali metal ions between the chains. K{sub 2}ZnP{sub 2}Se{sub 6} crystallizes in the monoclinic space group P2{sub 1}/c; cell parameters a = 12.537(3) Aa, b = 7.2742(14) Aa, c = 14.164(3) Aa, β = 109.63(3) , Z = 4, and V = 1216.7(4) Aa{sup 3}. Rb{sub 2}ZnP{sub 2}Se{sub 6} and Cs{sub 2}ZnP{sub 2}Se{sub 6} are isotypic, crystallizing in the triclinic space group P anti 1. Rb{sub 2}ZnP{sub 2}Se{sub 6} has cell parameters of a = 7.4944(15) Aa, b = 7.6013(15) Aa, c = 12.729(3) Aa, α = 96.57(3) , β = 105.52(3) , γ = 110.54(3) , Z = 2, and V = 636.6(2) Aa{sup 3}. Cs{sub 2}ZnP{sub 2}Se{sub 6} has cell parameters of a = 7.6543(6) Aa, b = 7.7006(6) Aa, c = 12.7373(11) Aa, α = 97.007(7) , β = 104.335(7) , γ = 109.241(6) , Z = 2, and V = 669.54(10) Aa{sup 3}. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synthesis, single-crystal structure determination and Raman spectra of the tricyanomelaminates NaA{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O (A = Rb, Cs)

Energy Technology Data Exchange (ETDEWEB)

Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.; Schulz, Armin [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

2016-07-01

Transparent colorless crystals of NaA{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O (A = Rb, Cs) were obtained by blending aqueous solutions of Na{sub 3}[C{sub 6}N{sub 9}] and RbF or CsF, respectively, and subsequent evaporation of the water under ambient conditions. Both compounds crystallize in the space group P2{sub 1}/m (no. 11) with the cell parameters a = 815.56(16), b = 1637.7(4) and c = 1036.4(3) pm, and β = 110.738(12) for NaRb{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O and a = 843.32(6), b = 1708.47(11) and c = 1052.42(7) pm, and β = 112.034(2) for NaCs{sub 5}[C{sub 6}N{sub 9}]{sub 2} . 4 H{sub 2}O, respectively. Raman spectra of the title compounds complement our results.

Highly Efficient LiYF4:Yb(3+), Er(3+) Upconversion Single Crystal under Solar Cell Spectrum Excitation and Photovoltaic Application.

Science.gov (United States)

Chen, Xu; Xu, Wen; Song, Hongwei; Chen, Cong; Xia, Haiping; Zhu, Yongsheng; Zhou, Donglei; Cui, Shaobo; Dai, Qilin; Zhang, Jiazhong

2016-04-13

Luminescent upconversion is a promising way to harvest near-infrared (NIR) sunlight and transforms it into visible light that can be directly absorbed by active materials of solar cells and improve their power conversion efficiency (PCE). However, it is still a great challenge to effectively improve the PCE of solar cells with the assistance of upconversion. In this work, we demonstrate the application of the transparent LiYF4:Yb(3+), Er(3+) single crystal as an independent luminescent upconverter to improve the PCE of perovskite solar cells. The LiYF4:Yb(3+), Er(3+) single crystal is prepared by an improved Bridgman method, and its internal quantum efficiency approached to 5.72% under 6.2 W cm(-2) 980 nm excitation. The power-dependent upconversion luminescence indicated that under the excitation of simulated sunlight the (4)F(9/2)-(4)I(15/2) red emission originally results from the cooperation of a 1540 nm photon and a 980 nm photon. Furthermore, when the single crystal is placed in front of the perovskite solar cells, the PCE is enhanced by 7.9% under the irradiation of simulated sunlight by 7-8 solar constants. This work implies the upconverter not only can serve as proof of principle for improving PCE of solar cells but also is helpful to practical application.

Single-crystal X-ray diffraction study of Cs{sub 2}Er[Si{sub 6}O{sub 14}]F and Cs{sub 2}Er[Si{sub 4}O{sub 10}]F

Energy Technology Data Exchange (ETDEWEB)

Dabic, Predrag; Kremenovic, Aleksandar; Vulic, Predag [Belgrade Univ. (Serbia). Lab. of Crystallography; Kahlenberg, Volker; Schmidmair, Daniela [Innsbruck Univ. (Austria). Inst. of Mineralogy and Petrography

2016-07-01

Single-crystal growth experiments in the system CsF-Er{sub 2}O{sub 3}-SiO{sub 2} resulted in the simultaneous crystallization of two chemically related compounds within the same run: Cs{sub 2}Er[Si{sub 6}O{sub 14}]F (phase I) and Cs{sub 2}Er[Si{sub 4}O{sub 10}]F (phase II). They represent the first examples for cesium erbium silicates containing fluorine. Basic crystallographic data are - phase I: space group Cmca, a=17.2556(6) Aa, b=24.6565(7) Aa, c=14.4735(5) Aa, V=6157.9(3) Aa{sup 3}, Z=16; phase II: space group Pnma, a=22.3748(7) Aa, b=8.8390(2) Aa, c=11.9710(4) Aa, V=2367.5(1) Aa{sup 3}, Z=8. The structures were determined by direct methods and refined to residuals of R(vertical stroke F vertical stroke)=0.0229 for 2920 (phase I) and 0.0231 for 2314 (phase II) independent observed reflections with I>2σ(I). The structure of phase I represents a previously unknown structure type with a three dimensional tetrahedral framework consisting of Q{sup 3} and Q{sup 4} groups in the ratio 2:1. Basic building units of the network are unbranched sechser single-chains running parallel to [001]. The network can be conveniently built up from the condensation of tetrahedral layers parallel to (010) or (100), respectively. The crystal structure of phase II can be classified as a tubular or columnar chain silicate indicating that the backbones of the structure are multiple chains of silicate tetrahedra. This structure is isotypic to a Cs{sub 2}Y[Si{sub 4}O{sub 10}]F, a compound that has been characterized previously. Alternatively, both compounds can be described as mixed octahedral-tetrahedral frameworks, which can be classified according to their polyhedral microensembles. A topological analysis of both nets is presented.

Crystal structure and thermal behaviour of boro-pollucite CsBSi2O6

International Nuclear Information System (INIS)

Bubnova, R.S.; Stepanov, N.K.; Filatov, S.K.; Levin, A.A.; Paufler, P.; Meyer, D.C.

2004-01-01

The crystal structure of Cs 0.82 B 1.09 Si 1.98 O 6 boro-pollucite at room temperature was determined by direct methods and refined in the l a 3-bar d space group using an anisotropic approximation of atomic thermal displacements (a = 13.009 (1) angstrom, Z = 16, R w = 0.027, R F = 0.037 for 141 independent observed (IFI ≥4σ F ) reflections). The occupancy factors have been refined for Cs and tetrahedral positions assuming the oxygen sites being fully occupied. The compound is isostructural to leucite pollucite high-temperature modification. Thermal behaviour of CsBSi 2 O 6 was investigated by DTA and TG, annealing at different temperatures with following wet chemical analysis and high-temperature X-ray powder diffraction methods. The CsBSi 2 O 6 cubic phase loses mass before melting and decomposes to form a new crystalline phase with close to CsBSi 3 O 8 stoichiometry in the temperature range of 1303 353 K. Thermal expansion of two boro-pollucite samples, which differed in the number of Cs + and/or B 3+ ions of a nominal composition CsBSi 2 O 6 was investigated in air as well as in vacuum. Temperature ranges of negative thermal expansion were found. (authors)

Dentritic Carbosilanes Containing Silicon-Bonded 1-[C6H2(CH2NMe2)2-3,5-Li-4] or 1-[C6H3(CH2NMe2)-4-Li-3] Mono-and Bis(amino)aryllithium End Groups: Structure of {[CH2SiMe2C6H3(CH2NMe2)-4-Li-3]2}2

NARCIS (Netherlands)

Koten, G. van; Kleij, A.W.; Kleijn, H.; Jastrzebski, J.T.B.H.; Smeets, W.J.J.; Spek, A.L.

1999-01-01

A useful synthetic procedure for the incorporation of the potentially multidentate monoanionic 1-[C6H2(CH2NMe2)2-3,5]- (=NCN) and 1-[C6H3(CH2NMe2)-4]- (=CN) ligands via the para-position on the periphery of carbosilane (CS) dendrimers has been developed. Lithiation of suitable brominated precursors

Investigation of laser cladding high temperature anti-wear composite coatings on Ti6Al4V alloy with the addition of self-lubricant CaF2

International Nuclear Information System (INIS)

Xiang, Zhan-Feng; Liu, Xiu-Bo; Ren, Jia; Luo, Jian; Shi, Shi-Hong; Chen, Yao; Shi, Gao-Lian; Wu, Shao-Hua

2014-01-01

Highlights: • A novel high temperature self-lubricating wear-resistant coating was fabricated. • TiC carbides and self-lubricant CaF 2 were “in situ” synthesized in the coating. • The coating with the addition of CaF 2 possessed superior properties than without. - Abstract: To improve the high-temperature tribological properties of Ti–6Al–4V alloy, γ-NiCrAlTi/TiC and γ-NiCrAlTi/TiC/CaF 2 coatings were fabricated on Ti–6Al–4V alloy by laser cladding. The phase compositions and microstructure of the coatings were investigated using X-ray diffraction (XRD) and scanning electron microscope (SEM) equipped with energy dispersive spectroscopy (EDS). The tribological behaviors were evaluated using a ball-on-disk tribometer from ambient temperature to 600 °C under dry sliding wear conditions and the corresponding wear mechanisms were discussed. The results indicated that the γ-NiCrAlTi/TiC/CaF 2 coating consisted of α-Ti, the “in situ” synthesized TiC block particles and dendrite, γ-NiCrAlTi solid solution and spherical CaF 2 particles. The wear rates of γ-NiCrAlTi/TiC/CaF 2 coating were decreased greatly owing to the combined effects of the reinforced carbides and continuous lubricating films. Furthermore, the friction coefficients of γ-NiCrAlTi/TiC/CaF 2 coating presented minimum value of 0.21 at 600 °C, which was reduced by 43% and 50% compared to the substrate and γ-NiCrAlTi/TiC coating respectively. It was considered that the γ-NiCrAlTi/TiC/CaF 2 coating exhibited excellent friction-reducing and anti-wear properties at high temperature

Radiative transitions for the Cs2NaErCl6 elpasolite crystal. I.- Vibronic intensities for the emissions |(4115/2)Γk]≤| (4I13/2)Γl] in the Cs2NaErCl6

International Nuclear Information System (INIS)

Acevedo, R.; Escudero, M; Navarro, G; Meruane, T

2002-01-01

In this paper, we report explicit calculations for the spectral intensities of the seventy-five emissions |( 4 I 1372 )Γ k ]→ ( 4 I 15/2 )Γ l ] +v m ; m=3,4,6, where the irreducible representations labels are chosen as: (Γ k ; Γ l )=(Γ 6 ,2Γ 7 ,2Γ 8 ; Γ 6 , Γ 7 ,3Γ 8 , of the ErCl 3- 6 clusters in the Cs 2 NaErCl 6 crystal. The details of the spectrum suggest that in an energy range of about 400cm -1 , a substantial number of transitions [25 magnetic dipole (MD) and 75 vibronic electric dipole (VED) excitations] may be observed and also that a number of super positions of these transitions is most likely to occur. This experimental evidence is rather complicated to analyze and there is a need for more theoretical backup to gain understanding in both radiative and non-radiative processes in these materials. In this paper, we have taken a broader view of the intensity mechanisms associated with vibronically allowed electronic transitions and have decided to further test our current calculation models (VCF-LP) with reference to the |( 4 I 13/2 )Γ k ]→|( 4 I 15/2 )Γl]+v m , emissions for this crystal. It is interesting to realize that, although the intrinsic limitations of our models and methods to estimate spectral intensities, the final output (calculated oscillator strengths) indicate a fair and sensible agreement between our theoretical predictions and experimental data. As a further test of our vibronic intensity model, in a forthcoming paper, we will examine the rather unusual high intensity associated with the |( 4 S 3/ ) Γ l →|( 4 I 15/2 )Γ k ] emissions for this elpasolite (author)

Optical frequency measurements of 6s 2S1/2-6p 2P3/2 transition in a 133Cs atomic beam using a femtosecond laser frequency comb

International Nuclear Information System (INIS)

Gerginov, V.; Tanner, C.E.; Diddams, S.; Bartels, A.; Hollberg, L.

2004-01-01

Optical frequencies of the hyperfine components of the D 2 line in 133 Cs are determined using high-resolution spectroscopy and a femtosecond laser frequency comb. A narrow-linewidth probe laser excites the 6s 2 S 1/2 (F=3,4)→6p 2 P 3/2 (F=2,3,4,5) transition in a highly collimated atomic beam. Fluorescence spectra are taken by scanning the laser frequency over the excited-state hyperfine structure. The laser optical frequency is referenced to a Cs fountain clock via a reference laser and a femtosecond laser frequency comb. A retroreflected laser beam is used to estimate and minimize the Doppler shift due to misalignment between the probe laser and the atomic beam. We achieve an angular resolution on the order of 5x10 -6 rad. The final uncertainties (∼±5 kHz) in the frequencies of the optical transitions are a factor of 20 better than previous results [T. Udem et al., Phys. Rev. A 62, 031801 (2000).]. We find the centroid of the 6s 2 S 1/2 →6p 2 P 3/2 transition to be f D2 =351 725 718.4744(51) MHz

Crystal structures of LiCsTiF6 and Cs2TiF6 and interval mobility of complex anions

International Nuclear Information System (INIS)

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

2002-01-01

The structure of LiCsTiF 6 (1) and Cs 2 TiF 6 (2) monocrystals was studied by the method of X-ray diffraction analysis. Crystal lattice parameters for compound 1 are: a = 9.251 (1), b = 11.920 (1), c = 10.271 (1), sp.gr. Pbcn, Z = 8; for compound 2: a = 6.213 (1), c = 5.004 (1), sp.gr. P3-bar m1, Z = 1. Three-dimensional frame of bound titanium octahedrons and slightly distorted lithium tetragonal pyramids with Li-F distance ranging from 1.86 to 2.24 A is the crystal structure base of compound 1. The structure of compound 2 is made of dose-packed CsF 3 layers and TiF 6 2- octahedrons located between the layers. The types of internal motion of the complex anions were determined by 10 F NMR method, their activation energy in crystals 1 and 2 in the temperature range of 200-500 K being estimated [ru

Cs2SO4-Pr2(SO4)3-H2O and NiSO4-Pr2(SO4)3-H2O systems at 75 deg C

International Nuclear Information System (INIS)

Onishchenko, M.K.; Skorikov, V.M.; Shevchuk, V.G.; AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

1979-01-01

To investigate physico-chemical properties of equilibrium saturated solutions and to elucidate the chemical changes under way, the aqueous systems of cesium, nickel and praseodymium (3) sulfates are studied. The method of isothermal saturation of salts at 75 deg C is used. It has been found that in the system Cs 2 SO 4 -Pr 2 (SO 4 ) 3 -H 2 O in a wide concentration range the soluble binary salt Cs 2 SO 4 xPr 2 (SO 4 ) 3 csytallizes in a congruent way. For the system NiSO 4 -Pr 2 (SO 4 ) 3 -H 2 O a solubility curve of the eutonic type is obtained, there being no chemical interaction between the components. The solubility isotherms for the system are given

133Cs NMR investigation of 2D frustrated Heisenberg antiferromagnet, Cs2CuCl4

Science.gov (United States)

Vachon, M.-A.; Kundhikanjana, W.; Straub, A.; Mitrovic, V. F.; Reyes, A. P.; Kuhns, P.; Coldea, R.; Tylczynski, Z.

2006-10-01

We report 133Cs nuclear magnetic resonance (NMR) measurements on the 2D frustrated Heisenberg antiferromagnet Cs2CuCl4 down to 2 K and up to 15 T. We show that 133Cs NMR is a good probe of the magnetic degrees of freedom in this material. Cu spin degrees of freedom are sensed through a strong anisotropic hyperfine coupling. The spin excitation gap opens above the critical saturation field. The gap value was determined from the activation energy of the nuclear spin-lattice relaxation rate in a magnetic field applied parallel to the Cu chains (\\skew3\\hat{b} axis). The values of the g-factor and the saturation field are consistent with the neutron-scattering and magnetization results. The measurements of the spin spin relaxation time are exploited to show that no structural changes occur down to the lowest temperatures investigated.

Lattice dynamics of cubic Cs2NaLnX6 and CsNaLn1-xLn'xX6 elpasolites

International Nuclear Information System (INIS)

Acevedo, R.; Poblete, V.; Alzamora, R.; Venegas, R.; Navarro, G.; Henriquez, C.

1999-01-01

Crystal lattice dynamics of stoichiometric Cs 2 NaLnX 6 and nonstoichiometric CsNaLn 1-x Ln' x X 6 , 0.01 ≤ x ≤ 0.10, Ln and Ln' are trivalent positive lanthanide ions and X is chlorine or bromine, were studied.. Phonon dispersion relations were computed for similar compound, Cs 2 UBr 6 , and vibronic absorption spectra with reduced number of required input parameters are considered on the basis of proposed model. (author)

A [Mo{sub 2}O{sub 2}S{sub 2}]-based ring system incorporating tartrate as the bridging ligand. Synthesis, structure and catalytic activity of Cs{sub 4}[Mo{sub 2}O{sub 2}(μ-S){sub 2}]{sub 2}(μ{sub 4}-tart){sub 2} (tart=[C{sub 4}H{sub 2}O{sub 6}]{sup 4-})

Energy Technology Data Exchange (ETDEWEB)

Qian, Ting-Ting; Cui, Yu-Jie; Xin, Zhifeng; Jia, Ai-Quan; Zhang, Qian-Feng [Anhui Univ. of Technology, Anhui (China). Inst. of Molecular Engineering and Applied Chemistry and Anhui Province Key Lab. of Metallurgy Engineering and Resources Recycling

2017-08-01

Treatment of [Mo{sub 2}S{sub 2}O{sub 2}(H{sub 2}O){sub 6}]{sup 2+} with racemic tartaric acid (tartH{sub 4}) in the presence of sodium hydroxide and cesium chloride in aqueous solution led to the isolation of a new tetra-molybdenum ring cluster Cs{sub 4}[Mo{sub 2}O{sub 2}(μ-S){sub 2}]{sub 2}(μ{sub 4}-tart){sub 2}. The cyclic cluster polyanion consists of two dinuclear [Mo{sub 2}O{sub 2}(μ-S){sub 2}]{sup 2+} moieties and two bridging tart{sup 4-} ligands. The cyclic polyoxothiomolybdate cluster, supported on the mesoporous silica SBA-15, was tested for heterogenerous catalysis in thiophene hydrodesulfurization.

Molecular structures and thermodynamic properties of 12 gaseous cesium-containing species of nuclear safety interest: Cs 2, CsH, CsO, Cs 2O, CsX, and Cs 2X 2 (X = OH, Cl, Br, and I)

Science.gov (United States)

Badawi, Michael; Xerri, Bertrand; Canneaux, Sébastien; Cantrel, Laurent; Louis, Florent

2012-01-01

Ab initio electronic structure calculations at the coupled cluster level with a correction for the triples extrapolated to the complete basis set limit have been made for the estimation of the thermochemical properties of Cs 2, CsH, CsO, Cs 2O, CsX, and Cs 2X 2 (X = OH, Cl, Br, and I). The standard enthalpies of formation and standard molar entropies at 298 K, and the temperature dependence of the heat capacities at constant pressure were evaluated. The calculated thermochemical properties are in good agreement with their literature counterparts. For Cs 2, CsH, CsOH, Cs 2(OH) 2, CsCl, Cs 2Cl 2, CsBr, CsI, and Cs 2I 2, the calculated ΔfH298K∘ values are within chemical accuracy of the most recent experimental values. Based on the excellent agreement observed between our calculated ΔfH298K∘ values and their literature counterparts, the standard enthalpies of formation at 298 K are estimated to be the following: ΔfH298K∘ (CsO) = 17.0 kJ mol -1 and ΔfH298K∘ (Cs 2Br 2) = -575.4 kJ mol -1.

Ammonothermal synthesis and characterization of Cs{sub 2}[Zn(NH{sub 2}){sub 4}

Energy Technology Data Exchange (ETDEWEB)

Richter, Theresia M.M.; Niewa, Rainer [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569, Stuttgart (Germany); Alt, Nicolas S.A.; Schluecker, Eberhard [Lehrstuhl fuer Prozessmaschinen und Anlagentechnik, Friedrich-Alexander-Universitaet Erlangen-Nuernberg, Cauerstrasse 4, 91058, Erlangen (Germany)

2016-10-15

Cs{sub 2}[Zn(NH{sub 2}){sub 4}] was synthesized under ammonothermal conditions (sc-NH{sub 3}, 523 K, 155 MPa) from CsNH{sub 2} and Zn. Growth of cm-sized crystals succeeded upon application of a temperature gradient. The crystal structure is based on the motif of a hexagonal closed packing of [Zn(NH{sub 2}){sub 4}]{sup 2-} ions with occurrence of no significant hydrogen bridges according to distances and vibrational spectroscopy. Cs{sup +} ions are located within octahedral and tetrahedral holes of the packing. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Effect of He pressure on the superconducting transition temperatures of Na2CsC60 and (NH3)4Na2CsC60

International Nuclear Information System (INIS)

Schirber, J.E.; Bayless, W.R.; Rosseinsky, M.J.; Zhou, O.; Fleming, R.M.; Murphy, D.; Fischer, J.E.

1994-01-01

The Na based mixed alkali doped C 60 superconductors show anomalous behavior with respect to the ''universal'' superconducting transition temperature T c vs lattice constant a 0 relation followed by most of the fcc A 3 C 60 superconductors. We have measured dt c /dP for Na 2 CsC 60 and (NH 3 ) 4 Na 2 CsC 60 using solid He as the pressure medium to ∼ 6 kbar finding dT c /dP equal to -0.8±(0.01) K/kbar and -1.0(±0.1)K/kbar for Na 2 CsC 60 and Na 2 (NH 3 ) 4 C 60 respectively. Our value for Na 2 CsC 60 differs markedly from that obtained by Mizuki et al of about -1.3 K/kbar. However, using N 2 or Ar, we obtain values for dT c /dP in substantial agreement with Mizuki et al who used fluorinert to generate their pressure. This work emphasizes the need for compressibility measurements with the same pressure medium in the appropriate temperature range so that meaningful comparisons can be made between various pressure measurements and models which are based on lattic spacing

Cesium platinide hydride 4Cs{sub 2}Pt.CsH: an intermetallic double salt featuring metal anions

Energy Technology Data Exchange (ETDEWEB)

Smetana, Volodymyr [Ames Laboratory, US Department of Energy, and Critical Materials Institute, Ames, Iowa, 50011-3020 (United States); Mudring, Anja-Verena [Ames Laboratory, US Department of Energy, and Critical Materials Institute, Ames, Iowa, 50011-3020 (United States); Department of Materials Sciences and Engineering, Iowa State University, Ames, Iowa, 50011-3111 (United States)

2016-11-14

With Cs{sub 9}Pt{sub 4}H a new representative of ionic compounds featuring metal anions can be added to this rare-membered family. Cs{sub 9}Pt{sub 4}H exhibits a complex crystal structure containing Cs{sup +} cations, Pt{sup 2-} and H{sup -} anions. Being a red, transparent compound its band gap is in the visible range of the electromagnetic spectrum and the ionic type of bonding is confirmed by quantum chemical calculations. This cesium platinide hydride can formally be considered as a double salt of the ''alloy'' cesium-platinum, or better cesium platinide, Cs{sub 2}Pt, and the salt cesium hydride CsH according to Cs{sub 9}Pt{sub 4}H≡4 Cs{sub 2}Pt.CsH. (copyright 2016 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electronic Spectra of Cs2NaYb(NO2)6: Is There Quantum Cutting?

Science.gov (United States)

Luo, Yuxia; Liu, Zhenyu; Hau, Sam Chun-Kit; Yeung, Yau Yuen; Wong, Ka-Leung; Shiu, Kwok Keung; Chen, Xueyuan; Zhu, Haomiao; Bao, Guochen; Tanner, Peter A

2018-05-03

The crystal structure and electronic spectra of the T h symmetry hexanitritoytterbate(III) anion have been studied in Cs 2 NaY 0.96 Yb 0.04 (NO 2 ) 6 , which crystallizes in the cubic space group Fm3̅. The emission from Yb 3+ can be excited via the NO 2 - antenna. The latter electronic transition is situated at more than twice the energy of the former, but at room temperature, one photon absorbed at 470 nm in the triplet state produces no more than one photon emitted. Some degree of quantum cutting is observed at 298 K under 420 nm excitation into the singlet state and at 25 K using excitation into either state. The quantum efficiency is ∼10% at 25 K. The energy level scheme of Yb 3+ has been deduced from excitation and emission spectra and calculated by crystal field theory. New improved energy level calculations are also reported for the Cs 2 NaLn(NO 2 ) 6 (Ln = Pr, Eu, Tb) series using the f- Spectra package. The neat crystal Cs 2 NaYb(NO 2 ) 6 has also been studied, but results were unsatisfactory due to sample decomposition, and this chemical instability makes it unsuitable for applications.

Pure Cs4PbBr6: Highly Luminescent Zero-Dimensional Perovskite Solids

KAUST Repository

Saidaminov, Makhsud I.

2016-09-26

So-called zero-dimensional perovskites, such as Cs4PbBr6, promise outstanding emissive properties. However, Cs4PbBr6 is mostly prepared by melting of precursors that usually leads to a coformation of undesired phases. Here, we report a simple low-temperature solution-processed synthesis of pure Cs4PbBr6 with remarkable emission properties. We found that pure Cs4PbBr6 in solid form exhibits a 45% photoluminescence quantum yield (PLQY), in contrast to its three-dimensional counterpart, CsPbBr3, which exhibits more than 2 orders of magnitude lower PLQY. Such a PLQY of Cs4PbBr6 is significantly higher than that of other solid forms of lower-dimensional metal halide perovskite derivatives and perovskite nanocrystals. We attribute this dramatic increase in PL to the high exciton binding energy, which we estimate to be ∼353 meV, likely induced by the unique Bergerhoff–Schmitz–Dumont-type crystal structure of Cs4PbBr6, in which metal-halide-comprised octahedra are spatially confined. Our findings bring this class of perovskite derivatives to the forefront of color-converting and light-emitting applications.

Elastic properties of Cs{sub 2}HgBr{sub 4} and Cs{sub 2}CdBr{sub 4} crystals

Energy Technology Data Exchange (ETDEWEB)

Kityk, A.V.; Zadorozhna, A.V.; Shchur, Y.I.; Martynyuk-Lototska, Y.I.; Burak, Y.; Vlokh, O.G. [Institute of Physical Optics, Lvov (Ukraine)

1998-12-31

Using ultrasonic velocity measurements, all components of the elastic constant matrix C{sub ij} , elastic compliances matrix S{sub ij}, and linear compressibility constants matrix K{sub ij} of orthorhombic Cs{sub 2}HgBr{sub 4} and Cs{sub 2}CdBr{sub 4} crystals have been determined over a wide temperature range, including the region of the phase transition from the normal to the incommensurate phase. Results obtained are considered within the framework of the phenomenological theory. Preliminary analysis of the acoustical properties at room temperature clearly indicates that both crystals are relatively important materials for acousto-optical applications. Copyright (1998) CSIRO Australia 16 refs., 1 tab. 8 figs. The URL for the electronic version of this article is http://www.publish.csiro.au/journals/ajp/electronic.html

High-temperature behavior of dicesium molybdate Cs{sub 2}MoO{sub 4}: Implications for fast neutron reactors

Energy Technology Data Exchange (ETDEWEB)

Wallez, Gilles, E-mail: gilles.wallez@upmc.fr [Institut de Recherche de Chimie Paris, CNRS—Chimie ParisTech, 11 rue Pierre et Marie Curie, 75005 Paris (France); Université Pierre et Marie Curie, 4 place Jussieu, 75005 Paris (France); Raison, Philippe E., E-mail: philippe.raison@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, 76125 Karlsruhe (Germany); Smith, Anna L., E-mail: anna.smith@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, 76125 Karlsruhe (Germany); Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Clavier, Nicolas, E-mail: nicolas.clavier@cea.fr [ICSM–UMR5257 CNRS/CEA/UM2/ENSCM, Site de Marcoule, Bât 426, BP 17171, 30207 Bagnols/Cèze (France); Dacheux, Nicolas, E-mail: nicolas.dacheux@cea.fr [ICSM–UMR5257 CNRS/CEA/UM2/ENSCM, Site de Marcoule, Bât 426, BP 17171, 30207 Bagnols/Cèze (France)

2014-07-01

Dicesium molybdate (Cs{sub 2}MoO{sub 4})'s thermal expansion and crystal structure have been investigated herein by high temperature X ray diffraction in conjunction with Raman spectroscopy. This first crystal-chemical insight at high temperature is aimed at predicting the thermostructural and thermomechanical behavior of this oxide formed by the accumulation of Cs and Mo fission products at the periphery of nuclear fuel rods in sodium-cooled fast reactors. Within the temperature range of the fuel's rim, Cs{sub 2}MoO{sub 4} becomes hexagonal P6{sub 3}/mmc, with disordered MoO{sub 4} tetrahedra and 2D distribution of Cs–O bonds that makes thermal axial expansion both large (50≤α{sub l}≤70 10{sup −6} °C{sup −1}, 500–800 °C) and highly anisotropic (α{sub c}−α{sub a}=67×10{sup −6} °C{sup −1}, hexagonal form). The difference with the fuel's expansion coefficient is of potential concern with respect to the cohesion of the Cs{sub 2}MoO{sub 4} surface film and the possible release of cesium radionuclides in accidental situations. - Graphical abstract: The weakness of the Cs–O bonds and the disordering of the MoO{sub 4} tetrahedra array in the high-temperature form are responsible for the huge thermal expansion of Cs{sub 2}MoO{sub 4} along the c-axis. - Highlights: • Thermomechanical behavior of Cs{sub 2}MoO{sub 4} fission products compound is studied. • High-temperature form of Cs{sub 2}MoO{sub 4} is characterized by XRD and Raman. • Thermal expansion appears very high and anisotropic. • Cohesion between Cs{sub 2}MoO{sub 4} and nuclear fuel seems questionable, and Cs release is expected.

Synthesis and characterization of Er3+ doped CaF2 nanoparticles

International Nuclear Information System (INIS)

Zhi Guanglin; Song Jinghong; Mei Bingchu; Zhou Weibing

2011-01-01

Highlights: → Er 3+ :CaF 2 nanoparticles were synthesized by co-precipitation method with particle size of 8-36 nm. → Increasing dopant concentration increases lattice constants and decreases grain size. → Annealing treatment has a remarkable effect on luminescence properties. → Luminescence intensity decrease with the increasing of the dopant concentration. - Abstract: Er 3+ doped CaF 2 nanoparticles were synthesized by a chemical co-precipitation method. Effect of the dopant concentrations on the structure and optical properties of the CaF 2 nanoparticles was investigated. The X-ray powder diffraction and transmission electron microscopy analysis was used to characterize the structure and morphology of the nanoparticles. The nanoparticles with different dopant concentration exhibited a sphere-like morphology with diameters of about 8-36 nm. The incorporation of Er 3+ ions into CaF 2 resulted in the decrease in grain size and deterioration of crystallinity, but enlarged the lattice constants of CaF 2 . Additional annealing treatment at 400 deg. C to the prepared CaF 2 removed the NO 3 - and OH - groups adsorbed on the particles' surfaces, and improved the optical properties of the nanoparticles. The fluorescence intensity, with a maximum at approximately 0.4 mol%, decreased with the increase in doping concentration because of concentration quenching.

Synthesis and crystallographic study of the compounds in the system Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2}; Synthese et etude cristallographique des composes du systeme Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

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

1969-05-01

A study has been made on the preparation, structure and thermal evolution of some definite compounds in the system: Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2}. Precise details are given about the structure of the following compounds: CsAlO{sub 2}, RbAlO{sub 2}, KAlO{sub 2} and NaAlO{sub 2}; CsAlO{sub 2}, 2 H{sub 2}O; Cs{sub 2}O, 11 Al{sub 2}O{sub 3}; Cs{sub 2}O, 2 SiO{sub 2}; Cs{sub 2}O, 4 SiO{sub 2} and Rb{sub 2}O, 4 SiO{sub 2}; CsAlSiO{sub 4}; CsAlSi{sub 2}O{sub 6}; Cs{sub 4}Ge{sub 11}O{sub 24} and Rb{sub 4}Ge{sub 11}O{sub 24}. The long term purpose of this work was to find a compound which would be insoluble, refractory and at the same time able to contain radioactive isotopes of cesium and thus suitable as radiation sources. The knowledge of the properties and structure of aluminates, silicates and aluminosilicates is a necessary stage before the elaboration of ceramic caesium sources. The compound which seems quite convenient for this use, Cs{sub 2}AlSi{sub 2}O{sub 6}, is closely related to the natural mineral 'pollucite', and offers interesting properties. (author) [French] Ce travail constitue une etude de la preparation, de la structure et de l'evolution thermique des composes definis du systeme: Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2} et de quelques homologues. Des precisions sont donnees sur la structure des composes suivants: CsAlO{sub 2}, RbAlO{sub 2}, KAlO{sub 2} et NaAlO{sub 2}; CsAlO{sub 2}, 2 H{sub 2}O; Cs{sub 2}O, 11 Al{sub 2}O{sub 3}; Cs{sub 2}O, 2 SiO{sub 2}; Cs{sub 2}O, 4 SiO{sub 2} et Rb{sub 2}O, 4 SiO{sub 2}; CsAlSiO{sub 4}; CsAlSi{sub 2}O{sub 6}; Cs{sub 4}Ge{sub 11}O{sub 24} et Rb{sub 4}Ge{sub 11}O{sub 24}. Le but a long terme de cette etude consistait a obtenir un compose a la fois refractaire et insoluble, susceptible de contenir un isotope radioactif du caesium, et d'etre utilise comme source de rayonnement. La connaissance des proprietes et de la structure des aluminates, silicates et aluminosilicates represente une etape necessaire

Shock Compression Response of Calcium Fluoride (CaF2)

Science.gov (United States)

Root, Seth

2017-06-01

The fluorite crystal structure is a textbook lattice that is observed for many systems, such as CaF2, Mg2 Si, and CeO2. Specifically, CaF2 is a useful material for studying the fluorite system because it is readily available as a single crystal. Under static compression, CaF2 is known to have at least three solid phases: fluorite, cotunnite, and a Ni2 In phase. Along the Hugoniot CaF2 undergoes a fluorite to cotunnite phase transition, however, at higher shock pressures it is unknown whether CaF2 undergoes another solid phase transition or melts directly from the cotunnite phase. In this work, we conducted planar shock compression experiments on CaF2 using Sandia's Z-machine and a two-stage light gun up to 900 GPa. In addition, we use density functional theory (DFT) based quantum molecular dynamics (QMD) simulations to provide insight into the CaF2 state along the Hugoniot. In collaboration with: Michael Desjarlais, Ray Lemke, Patricia Kalita, Scott Alexander, Sandia National Laboratories. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL850.

Synthesis of Multicolor Core/Shell NaLuF4:Yb3+/Ln3+@CaF2 Upconversion Nanocrystals

Directory of Open Access Journals (Sweden)

Hui Li

2017-02-01

Full Text Available The ability to synthesize high-quality hierarchical core/shell nanocrystals from an efficient host lattice is important to realize efficacious photon upconversion for applications ranging from bioimaging to solar cells. Here, we describe a strategy to fabricate multicolor core @ shell α-NaLuF4:Yb3+/Ln3+@CaF2 (Ln = Er, Ho, Tm upconversion nanocrystals (UCNCs based on the newly established host lattice of sodium lutetium fluoride (NaLuF4. We exploited the liquid-solid-solution method to synthesize the NaLuF4 core of pure cubic phase and the thermal decomposition approach to expitaxially grow the calcium fluoride (CaF2 shell onto the core UCNCs, yielding cubic core/shell nanocrystals with a size of 15.6 ± 1.2 nm (the core ~9 ± 0.9 nm, the shell ~3.3 ± 0.3 nm. We showed that those core/shell UCNCs could emit activator-defined multicolor emissions up to about 772 times more efficient than the core nanocrystals due to effective suppression of surface-related quenching effects. Our results provide a new paradigm on heterogeneous core/shell structure for enhanced multicolor upconversion photoluminescence from colloidal nanocrystals.

Electrical and structural properties of CaF sub 2 films

CERN Document Server

Kim, D Y; Yi, J S

1999-01-01

Fluoride films have many practical applications such as gate insulators for thin-film transistors(TFTs), anti-reflection coatings, and optical waveguides. We have investigated fluoride films as gate insulators for TFT applications. Most of gate oxide films of TFTs, like SiO sub 2 , Ta sub 2 O sub 5 , Al sub 2 O sub 3 , and SiO sub x , exhibited problems with the trap charge density, lattice mismatch, and interface states, As a way of circumventing these problems in conventional gate insulators, we investigated CaF sub 2 which has a low interface trap charge density and lattice constant similar to that of the Si surface. We were able to achieve almost epitaxial CaF sub 2 film growth in the (200) plane on a (100) p-type Si substrate. Investigations of the structural properties of CaF sub 2 films for various substrate temperatures resulted in the best lattice mismatch of 0.7 % and an average surface roughness of 8.4 A. The C-V results for the Metal-Insulator-Semiconductor (MIS) structure of the CaF sub 2 films s...

Systems of Na/sup +/NO/sub 3/, Na/sub 2/SO/sub 4/, RbNO/sub 3/, Rb/sub 2/SO/sub 4/-H/sub 2/O and NaNO/sub 3/, Na/sub 2/SO/sub 4/, CsNO/sub 3/, Cs/sub 2/SO/sub 4/-H/sub 2/O at 25 and 75 deg C

Energy Technology Data Exchange (ETDEWEB)

Poletaev, I F; Krasnenkova, L V

1975-08-01

Quaternary Na/sup +/, Rb/sup +///NO/sub 3/-, SO/sub 4//sup 2 -/-H/sub 2/O and Nsub(+), Cs/sup +///NO/sub 3/-, SO/sub 4//sup 2 -/-H/sub 2/O mutual systems have been studied isothermally. The following six fields of crystallization have been revealed in these systems at 25 deg C: Cs/sub 2/SO/sub 4/, Na/sub 2/SO/sub 4/, Na/sub 2/SO/sub 4/x10H/sub 2/O, NaNO/sub 3/xNa/sub 2/SO/sub 4/x2H/sub 2/O, NaNO/sub 3/, and CsNO/sub 3/.

Antibodies derived from an enterotoxigenic Escherichia coli (ETEC) adhesin tip MEFA (multiepitope fusion antigen) against adherence of nine ETEC adhesins: CFA/I, CS1, CS2, CS3, CS4, CS5, CS6, CS21 and EtpA.

Science.gov (United States)

Nandre, Rahul M; Ruan, Xiaosai; Duan, Qiangde; Sack, David A; Zhang, Weiping

2016-06-30

Diarrhea continues to be a leading cause of death in children younger than 5 years in developing countries. Enterotoxigenic Escherichia coli (ETEC) is a leading bacterial cause of children's diarrhea and travelers' diarrhea. ETEC bacteria initiate diarrheal disease by attaching to host receptors at epithelial cells and colonizing in small intestine. Therefore, preventing ETEC attachment has been considered the first line of defense against ETEC diarrhea. However, developing vaccines effectively against ETEC bacterial attachment encounters challenge because ETEC strains produce over 23 immunologically heterogeneous adhesins. In this study, we applied MEFA (multiepitope fusion antigen) approach to integrate epitopes from adhesin tips or adhesive subunits of CFA/I, CS1, CS2, CS3, CS4, CS5, CS6, CS21 and EtpA adhesins and to construct an adhesin tip MEFA peptide. We then examined immunogenicity of this tip MEFA in mouse immunization, and assessed potential application of this tip MEFA for ETEC vaccine development. Data showed that mice intraperitoneally immunized with this adhesin tip MEFA developed IgG antibody responses to all nine ETEC adhesins. Moreover, ETEC and E. coli bacteria expressing these nine adhesins, after incubation with serum of the immunized mice, exhibited significant reduction in attachment to Caco-2 cells. These results indicated that anti-adhesin antibodies induced by this adhesin tip MEFA blocked adherence of the most important ETEC adhesins, suggesting this multivalent tip MEFA may be useful for developing a broadly protective anti-adhesin vaccine against ETEC diarrhea. Copyright © 2016 Elsevier Ltd. All rights reserved.

Advantages of CaF2 over ZnS in an α-particle scintillation detector

International Nuclear Information System (INIS)

Sabol, B.; Schery, S.D.

1981-01-01

Results are reported for using a europium-activated calcium fluoride (CaF 2 ) scintillation crystal as a α-particle detector in a two-filter monitor of atmospheric radon. CaF 2 detectors are cheaper and can cover a larger surface area than the higher-resolution solid-state detectors. Compared to ZnS scintillators, the energy resolution for CaF 2 is improved from 3.0 MeV to 1.1 MeV for 4.7 MeV α-particles; however the light output from CaF 2 is considerably lower. It is concluded that a thin CaF 2 crystal is a cost-effective method of improving energy and time resolutions for the two-filter monitor. (U.K.)

Investigation of the multiphotonic excitation processes of the 4f2 5d configuration in LiYF4, LiLuF4 and BaY2F8 crystals doped with trivalent neodymium

International Nuclear Information System (INIS)

Librantz, Andre Felipe Henriques

2004-01-01

Ultraviolet (UV) fluorescence of Nd 3+ ions induced by multistep laser excitation was investigated in Nd-doped LiYF 4 (YLF), LiLuF 4 (LLF) and BaY 2 F 8 (BaYF) crystals using a technique of time-resolved spectroscopy. The observed UV luminescence was due to transitions between the bottom of 4f 2 5d configuration and the 4f 3 states of Nd 3+ ions. The lower excited state 4f 2 ( 3 H)5d [ 4 K 11/2 ] was reached by three stepwise absorptions of photons at 521 nm (green) and 478 nm (blue) of a short pulse laser excitation. The three sequential absorptions at 478 nm constitutes a new multiphoton excitation process of Nd 3+ in these crystals with the following excitation sequence: 4 I 9/2 + hv(480 nm)→ 2 G(1) 9/2 + hv(480 nm)→ 2 F(2) 7/2 + hv(480 nm)→ 4f 2 ( 3 H)5d [ 4 K 9/2 ] (excited state at ∼ 63000 cm -1 ). The observed UV emissions from [ 4 K 11/2 ] state have a lifetime of 35 ns (parity allowed) and are: broadband in contrast to UV emissions from 4f 3 configuration, which are also present in the luminescence investigation but having longer lifetime (8 μs) and structures composed of narrow lines. The excitation spectrum of fast UV luminescence exhibited different structure depending on the excitation geometry (σ or π) with respect to the c-axis of the crystal. It was seen two new emissions from [ 4 K 11/2 ] and 2 F(2) 5/2 states near 528 nm, which modified the branching ratio of the bottom of the 4f 2 5d configuration (∼ 55500 cm -1 for the YLF and LLF crystals and ∼-53700 cm -1 for the BaYF crystal). The equivalent cross-section of three and two excitation process was estimated at 521 nm by solving the rate equations of the system under short laser excitation, which leads us to infer that is possible to have laser action under pulsed laser pumping with intensity below the crystal damage threshold. (author)

Two-gap superconductivity with line nodes in CsCa2Fe4As4F2

Science.gov (United States)

Kirschner, Franziska K. K.; Adroja, Devashibhai T.; Wang, Zhi-Cheng; Lang, Franz; Smidman, Michael; Baker, Peter J.; Cao, Guang-Han; Blundell, Stephen J.

2018-02-01

We report the results of a muon-spin rotation (μ SR ) experiment to determine the superconducting ground state of the iron-based superconductor CsCa2Fe4As4F2 with Tc≈28.3 K . This compound is related to the fully gapped superconductor CaCsFe4As4 , but here the Ca-containing spacer layer is replaced with one containing Ca2F2 . The temperature evolution of the penetration depth strongly suggests the presence of line nodes and is best modeled by a system consisting of both an s - and a d -wave gap. We also find a potentially magnetic phase which appears below ≈10 K but does not appear to compete with the superconductivity. This compound contains the largest alkali atom in this family of superconductors, and our results yield a value for the in-plane penetration depth of λa b(T =0 ) =244 (3 ) nm .

CO2 laser irradiation enhances CaF2 formation and inhibits lesion progression on demineralized dental enamel-in vitro study.

Science.gov (United States)

Zancopé, Bruna R; Rodrigues, Lívia P; Parisotto, Thais M; Steiner-Oliveira, Carolina; Rodrigues, Lidiany K A; Nobre-dos-Santos, Marinês

2016-04-01

This study evaluated if Carbon dioxide (CO2) (λ 10.6 μm) laser irradiation combined with acidulated phosphate fluoride gel application (APF gel) enhances "CaF2" uptake by demineralized enamel specimens (DES) and inhibits enamel lesion progression. Thus, two studies were conducted and DES were subjected to APF gel combined or not with CO2 laser irradiation (11.3 or 20.0 J/cm(2), 0.4 or 0.7 W) performed before, during, or after APF gel application. In study 1, 165 DES were allocated to 11 groups. Fluoride as "CaF2 like material" formed on enamel was determined in 100 DES (n = 10/group), and the surface morphologies of 50 specimens were evaluated by scanning electron microscopy (SEM) before and after "CaF2" extraction. In study 2, 165 DES (11 groups, n = 15), subjected to the same treatments as in study 1, were further subjected to a pH-cycling model to simulate a high cariogenic challenge. The progression of demineralization in DES was evaluated by cross-sectional microhardness and polarized light microscopy analyses. Laser at 11.3 J/cm(2) applied during APF gel application increased "CaF2" uptake on enamel surface. Laser irradiation and APF gel alone arrested the lesion progression compared with the control (p enamel surface and a synergistic effect was found. However, regarding the inhibition of caries lesion progression, no synergistic effect could be demonstrated. In conclusion, the results have shown that irradiation with specific laser parameters significantly enhanced CaF2 uptake by demineralized enamel and inhibited lesion progression.

A Raman spectroscopic study of the structural aspects of K2MgCl4 and Cs2MgCl4 as solid single crystals and molten salts

International Nuclear Information System (INIS)

Brooker, M.H.

1975-01-01

Polarized Raman spectra have been obtained for oriented single crystals of K 2 MgCl 4 and Cs 2 MgCl 4 at 77 and 298 K. The data are in excellent agreement with factor group analyses based on the space groups I 4 /mmm (D 17 4 /subh/) and Pnma (D 16 2 /subh/) for the K 2 MgCl 4 and Cs 2 MgCl 4 crystals. In K 2 MgCl 4 the magnesium is surrounded by six chloride ions in a distorted octahedral arrangement with a network structure such that neighboring octahedra share corners. In Cs 2 MgCl 4 a discrete tetrahedral MgCl 4 2- species is present. The 35 Cl-- 37 Cl isotopic splitting of the symmetric stetching mode of the tetrahedral MgCl 4 2- species has been resolved at 77 K and is similar to that observed for CCl 4 . Raman spectra for the high temperature solids and molten salts suggest that the coordination number of magnesium changes from six in solid K 2 MgCl 4 to four in the melt, whereas Cs 2 MgCl 4 melts with retention of the MgCl 4 2- tetrahedral complex. Additional evidence is presented to support previous reports that the MgCl 4 2- tetrahedral species is the principal complex ion in the melts, although a fraction of the magnesium appears to be present in a polynuclear complex, perhaps Mg 2 Cl 6 2-

Intrinsic Lead Ion Emissions in Zero-Dimensional Cs4PbBr6 Nanocrystals

KAUST Repository

Yin, Jun

2017-11-07

We investigate the intrinsic lead ion (Pb2+) emissions in zero-dimensional (0D) perovskite nanocrystals (NCs) using a combination of experimental and theoretical approaches. The temperature-dependent photoluminescence experiments for both “nonemissive” (highly suppressed green emission) and emissive (bright green emission) Cs4PbBr6 NCs show a splitting of emission spectra into high- and low-energy transitions in the ultraviolet (UV) spectral range. In the nonemissive case, we attribute the high-energy UV emission at approximately 350 nm to the allowed optical transition of 3P1 to 1S0 in Pb2+ ions and the low-energy UV emission at approximately 400 nm to the charge-transfer state involved in the 0D NC host lattice (D-state). In the emissive Cs4PbBr6 NCs, in addition to the broad UV emission, we demonstrate that energy transfer occurs from Pb2+ ions to green luminescent centers. The optical phonon modes in Cs4PbBr6 NCs can be assigned to both Pb–Br stretching and rocking motions from density functional theory calculations. Our results address the origin of the dual broadband Pb2+ ion emissions observed in Cs4PbBr6 NCs and provide insights into the mechanism of ionic exciton–optical phonon interactions in these 0D perovskites.

Hybridization of Single Nanocrystals of Cs4PbBr6 and CsPbBr3.

Science.gov (United States)

Weerd, Chris de; Lin, Junhao; Gomez, Leyre; Fujiwara, Yasufumi; Suenaga, Kazutomo; Gregorkiewicz, Tom

2017-09-07

Nanocrystals of all-inorganic cesium lead halide perovskites (CsPbX 3 , X = Cl, Br, I) feature high absorption and efficient narrow-band emission which renders them promising for future generation of photovoltaic and optoelectronic devices. Colloidal ensembles of these nanocrystals can be conveniently prepared by chemical synthesis. However, in the case of CsPbBr 3 , its synthesis can also yield nanocrystals of Cs 4 PbBr 6 and the properties of the two are easily confused. Here, we investigate in detail the optical characteristics of simultaneously synthesized green-emitting CsPbBr 3 and insulating Cs 4 PbBr 6 nanocrystals. We demonstrate that, in this case, the two materials inevitably hybridize, forming nanoparticles with a spherical shape. The actual amount of these Cs 4 PbBr 6 nanocrystals and nanohybrids increases for synthesis at lower temperatures, i.e., the condition typically used for the development of perovskite CsPbBr 3 nanocrystals with smaller sizes. We use state-of-the-art electron energy loss spectroscopy to characterize nanoparticles at the single object level. This method allows distinguishing between optical characteristics of a pure Cs 4 PbBr 6 and CsPbBr 3 nanocrystal and their nanohybrid. In this way, we resolve some of the recent misconceptions concerning possible visible absorption and emission of Cs 4 PbBr 6 . Our method provides detailed structural characterization, and combined with modeling, we conclusively identify the nanospheres as CsPbBr 3 /Cs 4 PbBr 6 hybrids. We show that the two phases are independent of each other's presence and merge symbiotically. Herein, the optical characteristics of the parent materials are preserved, allowing for an increased absorption in the UV due to Cs 4 PbBr 6 , accompanied by the distinctive efficient green emission resulting from CsPbBr 3 .

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

International Nuclear Information System (INIS)

Jianchen Wang; Xiaowen Zhu; Chongli Song

2005-01-01

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

Cs0.49NbPS6

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Hoseop Yun

2011-01-01

Full Text Available The quaternary thiophosphate, Cs0.49NbPS6, caesium hexathioniobiophosphate(V, has been synthesized by the reactive halide flux method. The title compound is isotypic with Rb0.46TaPS6 and is made up of a bicapped trigonal–biprismatic [Nb2S12] unit and a tetrahedral [PS4] group. The [Nb2S12] units linked by the [PS4] tetrahedra form infinite chains, yielding a three-dimensional network with rather large van der Waals gaps along the c axis in which the disordered Cs+ ions reside. The electrons released by the Cs atoms are transferred to the pairwise niobium metal site and there are substantial intermetallic Nb—Nb bonding interactions. This leads to a significant decrease of the intermetallic distance in the title compound compared to that in TaPS6. The classical charge balance of the title compound may be represented as [Cs+]0.49[Nb4.51+][P5+][S2−]4[S22−].

Synthesis, characterization of CaF2 doped silicate glass-ceramics.

Science.gov (United States)

Riaz, Madeeha; Zia, Rehana; Mirza, Ambreen; Hussain, Tousif; Bashir, Farooq; Anjum, Safia

2017-06-01

This paper reports the fabrication and characterization of silicate glass-ceramics doped with (0-12mol%) CaF 2 . TGA-DSC analysis was carried out to determine the crystallization temperature and stability of glass measured by two glass parameters; Hruby parameter K H =(T x -T g )/(T L -T x ) and Weinberg parameter K W =(T c -T g )/T L . It was found that with CaF 2 doping improved sinterability at low temperature and provided stability to the glass. The XRD pattern exhibits a single phase of combeite and doping of CaF 2 cause increase in crystallite size. Microstructure of samples was also improved with CaF 2 addition, pores were significantly reduced. After 15days immersion in simulated body fluid all samples developed apatite layer onto its surface. Hence, the addition of CaF 2 provided bioactive glass-ceramic material having a low processing temperature. Copyright © 2017 Elsevier B.V. All rights reserved.

Atomic structure of CaF2/MnF2-Si(1 1 1) superlattices from X-ray diffraction

International Nuclear Information System (INIS)

Alcock, Simon G.; Nicklin, C.L.; Howes, P.B.; Norris, C.A.; Kyutt, R.N.; Sokolov, N.S.; Yakovlev, N.L.

2007-01-01

X-ray reflectivity and non-specular crystal truncation rod scans have been used to determine the three-dimensional atomic structure of the buried CaF 2 -Si(1 1 1) interface and ultrathin films of MnF 2 and CaF 2 within a superlattice. We show that ultrathin films of MnF 2 , below a critical thickness of approximately four monolayers, are crystalline, pseudomorphic, and adopt the fluorite structure of CaF 2 . High temperature deposition of the CaF 2 buffer layer produces a fully reacted, CaF 2 -Si(1 1 1) type-B interface. The mature, 'long' interface is shown to consist of a partially occupied layer of CaF bonded to the Si substrate, followed by a distorted CaF layer. Our atomistic, semi-kinematical scattering method extends the slab reflectivity method by providing in-plane structural information

Ultraviolet radiation dosimetry using CaF2 TL phosphors- state of the art

International Nuclear Information System (INIS)

Nagpal, J.S.

2001-01-01

Photoluminescence (PL), optical absorption (OA) and thermoluminescence (TL) of undoped and Dy, Tb- and Eu activated CaF 2 TL phosphors has been re-investigated after heat treatment (600-1100 degC) in air. The study confirmed the earlier observed increase in intrinsic UV response of CaF 2 : Dy 3+ after 900 degC heat treatment. Enhancement in UV response was also observed in undoped CaF 2 thus indicating the base matrix related phenomenon. However, the enhancement observed in UV sensitivity and the optimum treatment temperature for high UV sensitivity is different for different activators. It is activator specific and needs further probing. UV response of undoped CaF 2 monotonically increases as the treatment temperature (in air) is increased from 600 degC to 1100 degC. Similar increase is observed in case of CaF 2 : Tb 3+ also. However, CaF 2 : Dy 3+ and CaF 2 :Eu 2+ follow a different pattern. Heat treatment in air increases UV response of CaF 2 : Dy 3+ up to 900 degC, and a decrease is observed at higher temperatures. UV response of CaF 2 : Eu 2+ is maximum for 600 degC treatment in air and decreases thereafter. TL response of CaF 2 : Tb and CaF 2 : Eu 2+ phosphors to UV is high, can be employed over the range 10 -2 - 2 mJ.cm -2 and is rate independent for 250±10 nm UV. (author)

Single crystal growth, electronic structure and optical properties of Cs2HgBr4

Science.gov (United States)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

2015-10-01

We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs2HgBr4, by using the vertical Bridgman-Stockbarger method as well as on studies of its electronic structure. For the Cs2HgBr4 crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces. Our data indicate that the Cs2HgBr4 single crystal surface is rather sensitive with respect to Ar+ ion-bombardment. In particular, such a treatment of the Cs2HgBr4 single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs2HgBr4, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs2HgBr4 are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs2HgBr4 such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.

The Cac2 subunit is essential for productive histone binding and nucleosome assembly in CAF-1

Energy Technology Data Exchange (ETDEWEB)

Mattiroli, Francesca; Gu, Yajie; Balsbaugh, Jeremy L.; Ahn, Natalie G.; Luger, Karolin

2017-04-18

Nucleosome assembly following DNA replication controls epigenome maintenance and genome integrity. Chromatin assembly factor 1 (CAF-1) is the histone chaperone responsible for histone (H3-H4)2 deposition following DNA synthesis. Structural and functional details for this chaperone complex and its interaction with histones are slowly emerging. Using hydrogen-deuterium exchange coupled to mass spectrometry, combined with in vitro and in vivo mutagenesis studies, we identified the regions involved in the direct interaction between the yeast CAF-1 subunits, and mapped the CAF-1 domains responsible for H3-H4 binding. The large subunit, Cac1 organizes the assembly of CAF-1. Strikingly, H3-H4 binding is mediated by a composite interface, shaped by Cac1-bound Cac2 and the Cac1 acidic region. Cac2 is indispensable for productive histone binding, while deletion of Cac3 has only moderate effects on H3-H4 binding and nucleosome assembly. These results define direct structural roles for yeast CAF-1 subunits and uncover a previously unknown critical function of the middle subunit in CAF-1.

Tunable CsPbBr3/Cs4PbBr6 phase transformation and their optical spectroscopic properties.

Science.gov (United States)

Chen, Xiao; Chen, Daqin; Li, Junni; Fang, Gaoliang; Sheng, Hongchao; Zhong, Jiasong

2018-04-24

As a novel type of promising materials, metal halide perovskites are a rising star in the field of optoelectronics. On this basis, a new frontier of zero-dimensional perovskite-related Cs4PbBr6 with bright green emission and high stability has attracted an enormous amount of attention, even though its photoluminescence still requires to clarification. Herein, the controllable phase transformation between three-dimensional CsPbBr3 and zero-dimensional Cs4PbBr6 is easily achieved in a facile ligand-assisted supersaturated recrystallization synthesis procedure via tuning the amount of surfactants, and their unique optical properties are investigated and compared in detail. Both Cs4PbBr6 and CsPbBr3 produce remarkably intense green luminescence with quantum yields up to 45% and 80%, respectively; however, significantly different emitting behaviors are observed. The fluorescence lifetime of Cs4PbBr6 is much longer than that of CsPbBr3, and photo-blinking is easily detected in the Cs4PbBr6 product, proving that the zero-dimensional Cs4PbBr6 is indeed a highly luminescent perovskite-related material. Additionally, for the first time, tunable emissions over the visible-light spectral region are demonstrated to be achievable via halogen composition modulations in the Cs4PbX6 (X = Cl, Br, I) samples. Our study brings a simple method for the phase control of CsPbBr3/Cs4PbBr6 and demonstrates the intrinsic luminescence nature of the zero-dimensional perovskite-related Cs4PbX6 products.

Exploring Polaronic, Excitonic Structures and Luminescence in Cs4PbBr6/CsPbBr3.

Science.gov (United States)

Kang, Byungkyun; Biswas, Koushik

2018-02-15

Among the important family of halide perovskites, one particular case of all-inorganic, 0-D Cs 4 PbBr 6 and 3-D CsPbBr 3 -based nanostructures and thin films is witnessing intense activity due to ultrafast luminescence with high quantum yield. To understand their emissive behavior, we use hybrid density functional calculations to first compare the ground-state electronic structure of the two prospective compounds. The dispersive band edges of CsPbBr 3 do not support self-trapped carriers, which agrees with reports of weak exciton binding energy and high photocurrent. The larger gap 0-D material Cs 4 PbBr 6 , however, reveals polaronic and excitonic features. We show that those lattice-coupled carriers are likely responsible for observed ultraviolet emission around ∼375 nm, reported in bulk Cs 4 PbBr 6 and Cs 4 PbBr 6 /CsPbBr 3 composites. Ionization potential calculations and estimates of type-I band alignment support the notion of quantum confinement leading to fast, green emission from CsPbBr 3 nanostructures embedded in Cs 4 PbBr 6 .

Synthesis of the Novel 4,4?- and 6,6?- Dihydroxamic - 2,2?-Bipyridines and Improved Routes to 4,4?- and 6,6?- Substituted 2,2?-Bipyridines and Mono-N-Oxide-2,2?-Bipyridine

Directory of Open Access Journals (Sweden)

Donnici Claudio Luis

1998-01-01

Full Text Available The preparation of key precursors for many 2,2?-bipyridine derivatives such as 4,4?-dicarboxy- 2,2?-bipyridine (I, 6,6?-dicarboxy-2,2?-bipyridine- acid (II, 4,4?-dinitro-2,2?-bipyridine-N,N-dioxide (III, 6,6?-dicarbothioamide-2,2?-bipyridine (IV and mono-N-oxide-2,2?-bipyridine (VII through more efficient methods is described. The syntheses of the novel ligands 4,4?-dihydroxamic-2,2?-bipyridine (V and 6,6?-dihydroxamic-2,2?-bipyridine (VI are also reported.

[Energy pooling collisions for K(4P) + Cs(5D) in a K-Cs mixture].

Science.gov (United States)

Aihemaiti, Pulati; Dai, Kang; Lu, Xin-hong; Shen, Yi-fan

2005-04-01

The rate coefficients for energy-pooling collisions K(4P) + Cs(5D) --> Cs(6S) + K(4D, 6S) in the K-Cs vapor mixture were measured relative to a known energy-pooling rate coefficient of a homonuclear reaction [i. e., Cs(6P) + Cs(5D) --> Cs(6S) + Cs (7D(J))]. Populations of the Cs(6P, 5D) and K(4P) states were produced by photodissociation of K2 and Cs2 molecules through the use of a dye laser radiation. The resulting fluorescence included the direct components emitted in the decay of the excited states produced by photodissociation and the induced components arising from the collisionally populated states. By combining relative intensities of the components with the effective lifetimes of Cs(6P) and K(4P) states, the rate coefficients (in units of 10(-9) cm3 x s(-1)) for the heteronuclear energy-pooling were found to be 2.6 and 3.6, respectively. The contribution to the rate coefficients from other processes are discussed.

Mixed Valence Perovskite Cs2 Au2 I6 : A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency.

Science.gov (United States)

Debbichi, Lamjed; Lee, Songju; Cho, Hyunyoung; Rappe, Andrew M; Hong, Ki-Ha; Jang, Min Seok; Kim, Hyungjun

2018-03-01

New light is shed on the previously known perovskite material, Cs 2 Au 2 I 6 , as a potential active material for high-efficiency thin-film Pb-free photovoltaic cells. First-principles calculations demonstrate that Cs 2 Au 2 I 6 has an optimal band gap that is close to the Shockley-Queisser value. The band gap size is governed by intermediate band formation. Charge disproportionation on Au makes Cs 2 Au 2 I 6 a double-perovskite material, although it is stoichiometrically a single perovskite. In contrast to most previously discussed double perovskites, Cs 2 Au 2 I 6 has a direct-band-gap feature, and optical simulation predicts that a very thin layer of active material is sufficient to achieve a high photoconversion efficiency using a polycrystalline film layer. The already confirmed synthesizability of this material, coupled with the state-of-the-art multiscale simulations connecting from the material to the device, strongly suggests that Cs 2 Au 2 I 6 will serve as the active material in highly efficient, nontoxic, and thin-film perovskite solar cells in the very near future. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Luminescent CsPbI.sub.3./sub. and Cs.sub.4./sub.PbI.sub.6./sub. aggregates in annealed CsI:Pb crystals

Czech Academy of Sciences Publication Activity Database

Babin, V.; Fabeni, P.; Nikl, Martin; Nitsch, Karel; Pazzi, G.P.; Zazubovich, S.

2001-01-01

Roč. 226, č. 2 (2001), s. 419-428 ISSN 0370-1972 Institutional research plan: CEZ:AV0Z1010914 Keywords : CsPbI 3 * Cs 4 PbI 6 * nanoaggregates * luminescence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.873, year: 2001

Structural Phase Transition and Compressibility of CaF2 Nanocrystals under High Pressure

Directory of Open Access Journals (Sweden)

Jingshu Wang

2018-05-01

Full Text Available The structural phase transition and compressibility of CaF2 nanocrystals with size of 23 nm under high pressure were investigated by synchrotron X-ray diffraction measurement. A pressure-induced fluorite to α-PbCl2-type phase transition starts at 9.5 GPa and completes at 20.2 GPa. The phase-transition pressure is lower than that of 8 nm CaF2 nanocrystals and closer to bulk CaF2. Upon decompression, the fluorite and α-PbCl2-type structure co-exist at the ambient pressure. The bulk modulus B0 of the 23 nm CaF2 nanocrystals for the fluorite and α-PbCl2-type phase are 103(2 and 78(2 GPa, which are both larger than those of the bulk CaF2. The CaF2 nanocrystals exhibit obviously higher incompressibility compare to bulk CaF2. Further analysis demonstrates that the defect effect in our CaF2 nanocrystals plays a dominant role in the structural stability.

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Luminescence quantum efficiency determination in LiYF4:Nd3+ using photoacoustic spectroscopy

International Nuclear Information System (INIS)

Franca, E.J.

1989-01-01

Optical properties of LiYF 4 :Nd 3+ were studied using absorption, emission, excitation and photo acoustic spectroscopies. The Nd 3+ transitions were identified and the Stark sublevels were determined for the 4 I 9/2 , 4 I 11/2 and 4 F 3/2 levels. It is also presented and analysed three methods for the luminescence quantum efficiency determination, based on parameters from the spectra mentioned above. These methods were applied to four groups centered on 517, 577, 743 and 792nm. The first method provided values too high due to its assumption that the material has only one luminescent channel. The values obtained from the second one are still somewhat high but closer to the expected ones. The superestimation can be atributed to the imprecision in the existing branching ratios values, needed in this method. The third one, developed from the other two, provided values closer to the expected ones, but also affected by experimental conditions limitations, mainly related to the spectral resolution of the photoacustic spectra. The obtained results show that this method, once improved and associated to better experimental conditions, will lead to more accurate luminescence quantum efficiency values. (author) [pt

Investigation into the MgF2-NiF2, CaF2-NiF2, SrF2-NiF2 systems

International Nuclear Information System (INIS)

Ikrami, D.D.; Petrov, S.V.; Fedorov, P.P.; Ol'khovaya, L.A.; Luginina, A.A.; AN SSSR, Moscow. Inst. Fizicheskikh Problem; AN SSSR, Moscow. Inst. Kristallografii)

1984-01-01

Using the methods of differential thermal and X-ray phase analyses the systems MgF 2 -NiF 2 , CaF 2 -NiF 2 , SrF 2 -NiF 2 have been studied. In the system SrF 2 -NiF 2 the only orthorhombic compounds SrNiF 4 (a=14.43; b=3.93; c=5.66 (+-0.01 A)) is formed. SrNiF 4 density constitutes: dsub(X-ray)=4.60+-0.01 g/cm 3 , dsub(exp.)=4.60+-0.03 g/cm 3 . Refraction indices are as follows SrNiF 4 :Ng=1.500; Nsub(m)=1.497; Nsub(p)=1.479. SrNiF 4 magnetic ordering temperature Tsub(N) approximately 100 K

Ternary system of Na2MoO4-Cs2MoO4-MoO3

International Nuclear Information System (INIS)

Zueva, V.P.; Shabanova, A.N.; Drobasheva, T.I.

1982-01-01

Using the methods of thermal analysis interaction of components in ternary system Na 2 MoO 4 -Cs 2 MoO 4 -MoO 3 has been studied. Crystallization surface consists of nine fields belonging to initial components and compounds of lateral sides. Triangulation of the system is carried out and the character of nonvariant points is clarified, the temperature of 360 deg C corresponds to low-melting eutectics

Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs ₂ SnI ₆ and Cs ₂ TeI ₆

Energy Technology Data Exchange (ETDEWEB)

Maughan, Annalise E.; Ganose, Alex M.; Bordelon, Mitchell M.; Miller, Elisa M.; Scanlon, David O.; Neilson, James R.

2016-07-13

Vacancy-ordered double perovskites of the general formula, A2BX6, are a family of perovskite derivatives composed of a face-centered lattice of nearly isolated [BX6] units with A-site cations occupying the cuboctahedral voids. Despite the presence of isolated octahedral units, the close-packed iodide lattice provides significant electronic dispersion, such that Cs2SnI6 has recently been explored for applications in photovoltaic devices. To elucidate the structure-property relationships of these materials, we have synthesized the solid solution Cs2Sn1-xTexI6. However, even though tellurium substitution increases electronic dispersion via closer I-I contact distances, the substitution experimentally yields insulating behavior from a significant decrease in carrier concentration and mobility. Density functional calculations of native defects in Cs2SnI6 reveal that iodine vacancies exhibit a low enthalpy of formation and the defect energy level is a shallow donor to the conduction band, rendering the material tolerant to these defect states. The increased covalency of Te-I bonding renders the formation of iodine vacancy states unfavorable, and is responsible for the reduction in conductivity upon Te substitution. Additionally, Cs2TeI6 is intolerant to the formation of these defects, as the defect level occurs deep within the band gap and thus localizes potential mobile charge carriers. In these vacancy-ordered double perovskites, the close-packed lattice of iodine provides significant electronic dispersion, while the interaction of the B- and X-site ions dictates the properties as they pertain to electronic structure and defect tolerance. This simplified perspective -- based on extensive experimental and theoretical analysis -- provides a platform from which to understand structure-property relationships in functional perovskite halides.

A study on H{sub 2}S permeability of CsHSO{sub 4} membranes

Energy Technology Data Exchange (ETDEWEB)

Mbah, Jonathan; Wolan, John T. [Department of Chemical and Biomedical Engineering, College of Engineering, University of South Florida, Tampa, FL 33620 (United States); Clean Energy Research Center, College of Engineering, University of South Florida, Tampa, FL 33617 (United States); Krakow, Burton [Clean Energy Research Center, College of Engineering, University of South Florida, Tampa, FL 33617 (United States); Stefanakos, Elias [Clean Energy Research Center, College of Engineering, University of South Florida, Tampa, FL 33617 (United States); Department of Electrical Engineering, College of Engineering, University of South Florida, Tampa, FL 33617 (United States)

2009-03-15

The gas permeability of H{sub 2}S gas at 150 C through ultra-thin cesium hydrogen sulfate (CsHSO{sub 4}) membranes has been investigated. Gas chromatography-mass spectrometry analyses indicate that CsHSO{sub 4} membrane is impermeable to H{sub 2}S gas under test conditions. The apparent micropore diameter of the membrane averaged between 9.5 and 11.5 Aa with a maximum permeance of 0.09 Barrer (6.75 x 10{sup -19} m{sup 2} s{sup -1} Pa{sup -1}). Atomic force microscope and X-ray diffraction analyses show respectively that the surface morphology and crystal structure of the membranes are preserved, with no adverse effect from prolonged exposure to H{sub 2}S gas. Electrochemical impedance spectroscopy analysis confirm over a 30% decrease in membrane resistance via an 80% reduction in membrane thickness. (author)

Cooled optically stimulated luminescence in CaF2:Mn

International Nuclear Information System (INIS)

Miller, S.D.; Endres, G.W.R.; McDonald, J.C.; Swinth, K.L.

1988-01-01

A new optically stimulated luminescence technique has been developed for the readout of CaF 2 :Mn thermoluminescent material. Minimum detectable gamma exposures may potentially be measured at 10 nC.kg -1 using the 254 nm line of a mercury lamp. Additional studies were done on CaF 2 :Mn using 351 nm excimer laser stimulation. (author)

Variable dimensionality and framework found in a series of quaternary zinc selenites, A2Zn3(SeO3)4·xH2O (A = Na, Rb, and Cs; 0≤x≤1) and Cs2Zn2(SeO3)3·2H2O

Science.gov (United States)

Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min

2017-01-01

Five new alkali metal zinc selenites, A2Zn3(SeO3)4·xH2O (A = Na, Rb, and Cs; 0≤x≤1) and Cs2Zn2(SeO3)3·2H2O have been synthesized by heating a mixture of ZnO, SeO2 and A2CO3 (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn2+. While Rb2Zn3(SeO3)4 and Cs2Zn3(SeO3)4·H2O revealed three-dimensional frameworks consisting of isolated ZnO4 tetrahedra and SeO3 polyhedra, Na2Zn3(SeO3)4, Cs2Zn3(SeO3)4, and Cs2Zn2(SeO3)3·2H2O contained two-dimensional [Zn3(SeO3)4]2- layers. Specifically, whereas isolated ZnO4 tetrahedra and SeO3 polyhedra are arranged into two-dimensional [Zn3(SeO3)4]2- layers in two cesium compounds, circular [Zn3O10]14- chains and SeO3 linkers are formed in two-dimensional [Zn3(SeO3)4]2- layers in Na2Zn3(SeO3)4. Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations.

C_6_0"3"- versus C_6_0"4"- /C_6_0"2"- - synthesis and characterization of five salts containing discrete fullerene anions

International Nuclear Information System (INIS)

Boeddinghaus, M. Bele; Klein, Wilhelm; Wahl, Bernhard; Faessler, Thomas F.; Jakes, Peter; Eichel, Ruediger A.

2014-01-01

Five new compounds, [Rb(18crown-6)]_3[C_6_0] (1), [Rb(18crown-6)]_6[C_6_0]_2(C_3H_7NO)_2(C_4H_8O)_2 (2), [Rb(benzo18crown-6)]_6[C_6_0]_2(C_2H_8N_2)_5 (3), [Cs(benzo18crown-6)]_3C_6_0(C_2H_8N_2)_2 (4), and [Cs_3(benzo18crown-6)_5]C_6_0(C_2H_8N_2)_(_4_._5_+_x_) (5) were synthesized and characterized by single-crystal X-ray structure determination. All compounds contain discrete C_6_0 anions, which are ordered in 1, 2, and 4, where direct cation-anion contacts occur. The unit cells of 1 and 2 contain two independent fullerides, which coordinate to the rubidium atoms either of two or of four [Rb(18crown-6)] units. Owing to the presence of differently coordinated fullerene units in compounds 1 and 2, a possible disproportionation of C_6_0"3"- into C_6_0"2"- and C_6_0"4"- anions is discussed. In 3 and 4 the C_6_0 anions are coordinated by three Rb and Cs atoms, respectively. In all compounds the average charge of the anion is -3. Magnetic data reveal a doublet spin state for 3. The EPR spectra are discussed for compounds 3 and 5. The role of a dynamic Jahn-Teller distortion is discussed, and we report the first IR spectroscopic data of fullerene trianions, which have been obtained in solution. (Copyright copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Ultraviolet differential optical absorption spectrometry: quantitative analysis of the CS2 produced by SF6 decomposition

International Nuclear Information System (INIS)

Zhang, Xiaoxing; Zhou, Hong; Cui, Zhaolun; Xiao, Song; Tang, Ju; Chen, Chuan; Li, Xin

2017-01-01

The occurrence of partial discharge or partial overthermal fault in sulfur hexafluoride (SF 6 )-insulated electrical equipment frequently causes SF 6 and solid insulation materials to decompose into various products. One of the most characteristic products of this process is carbon disulfide (CS 2 ). The internal fault type and severity of the fault in the insulation equipment can be detected through the accurate quantitative detection of CS 2 . A device for simultaneously determining and quantifying gaseous CS 2 via ultraviolet differential optical absorption spectrometry is developed in this study. A Sym14 wavelet transform and fast Fourier transform (FFT) are applied to process the spectral data of the feature regions, namely 190 nm to 210 nm. The concentration of CS 2 is determined, and the detection limit of the developed device is identified. A good linear relationship is observed between the characteristic peaks of FFT and the concentration of CS 2 after the operational parameters are optimized. Along the light path at 600 mm, the average detection limit for CS 2 is 8.65 ppb based on three times the standard deviation of the system noises. The proposed device, which exhibits high sensitivity and effective cost, addresses the urgent demand for the monitoring and diagnosis of SF 6 -insulated electrical equipment via online detection of trace CS 2 . (paper)

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

Science.gov (United States)

Martinez Salinas, Heber Jair

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

Enthalpy-increment measurements for CsI(s) and Cs2CrO4(s) by high-temperature Calvet calorimetry

International Nuclear Information System (INIS)

Venugopal, V.; Agarwal, R.; Roy, K.N.; Prasad, R.; Sood, D.D.

1987-01-01

Molar thermodynamic properties of CsI(s) and Cs 2 Cr O 4 (s) have been evaluated by enthalpy-increment measurements, using a Calvet high-temperature calorimeter. Least squares analyses were performed on the enthalpy increment results. Data is presented in tabular form for the dependence of enthalpy increments on temperature, in the range 333 to 822 K, for both caesium compounds, along with the thermal properties of the compounds. Good agreement is found between the present data and previously reported results on reduced enthalpy increments of CsI(s) and Cs 2 CrO 4 (s). (U.K.)

The two-dimensional thiophosphate CsCrP2S7

Directory of Open Access Journals (Sweden)

Kyounghee Kim

2010-09-01

Full Text Available The quaternary title compound, caesium chromium(III heptathiodiphosphate(V, CsCrP2S7, has been synthesized using the reactive halide flux method. It is isotypic with other AMP2S7 (A = alkali metal; M = Cr, V or In structures and consists of two-dimensional ∞2[CrP2S7]− layers extending parallel to (001 which are separated from each other by Cs+ ions (symmetry 2. The layer is built up from slightly distorted octahedral [CrS6] units (symmetry 2 and bent [P2S7] units consisting of two corner-sharing [PS4] tetrahedra. The [CrS6] octahedra share two edges and two corners with the [PS4] tetrahedra. There are only van der Waals interactions present between the layers. The Cs+ ions are located in this van der Waals gap and stabilize the structure through weak ionic interactions. The classical charge balance of the title compound can be expressed as [Cs+][Cr3+][P5+]2[S2−]7.

Entry of Nd+3 ions into the LiYF4 matrix and determination of Nd+3 concentration by the nondestructing spectrophotometric method

International Nuclear Information System (INIS)

Tkachuk, A.M.; Poletimova, A.V.; Petrova, M.A.; Egorov, V.Yu.; Korolev, N.E.

1991-01-01

Entering of Nd 3+ ions into LiYF 4 lattice was investigation. Nondestructive spectrophotometric method for determining activator concentration in the crystal was developed. It enables to determine both the average integral concentration in the active element. Absorption cross sections were determined for a series of reference lines λ i with the lowest polarization degree. Values of β(λ i ) coefficients, enabling to determine the average neodymium concentration in the sample, are presented. Coefficient of neodymium entering into LiYF 4 lattice was determined: K nd =0.31+-0.02

Variable dimensionality and framework found in a series of quaternary zinc selenites, A2Zn3(SeO3)4·xH2O (A = Na, Rb, and Cs; 0≤x≤1) and Cs2Zn2(SeO3)3·2H2O

International Nuclear Information System (INIS)

Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min

2017-01-01

Five new alkali metal zinc selenites, A 2 Zn 3 (SeO 3 ) 4 ·xH 2 O (A = Na, Rb, and Cs; 0≤x≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O have been synthesized by heating a mixture of ZnO, SeO 2 and A 2 CO 3 (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn 2+ . While Rb 2 Zn 3 (SeO 3 ) 4 and Cs 2 Zn 3 (SeO 3 ) 4 ·H 2 O revealed three-dimensional frameworks consisting of isolated ZnO 4 tetrahedra and SeO 3 polyhedra, Na 2 Zn 3 (SeO 3 ) 4 , Cs 2 Zn 3 (SeO 3 ) 4 , and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O contained two-dimensional [Zn 3 (SeO 3 ) 4 ] 2- layers. Specifically, whereas isolated ZnO 4 tetrahedra and SeO 3 polyhedra are arranged into two-dimensional [Zn 3 (SeO 3 ) 4 ] 2- layers in two cesium compounds, circular [Zn 3 O 10 ] 14- chains and SeO 3 linkers are formed in two-dimensional [Zn 3 (SeO 3 ) 4 ] 2- layers in Na 2 Zn 3 (SeO 3 ) 4 . Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations. - Graphical abstract: Variable dimensions and frameworks were found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 (A = Na, Rb and Cs). - Highlights: • Five novel quaternary zinc selenites are synthesized. • All the selenites with different structures contain polarizable d 10 and lone pair cations. • The size of alkali metal cations is significant in determining the framework geometry.

Judd–Ofelt modeling, emission lifetimes and non-radiative relaxation for Er{sup 3+} doped Cs{sub 2}NaYF{sub 6} elpasolite crystals

Energy Technology Data Exchange (ETDEWEB)

Loiko, P.A. [ITMO University, 49 Kronverkskiy pr., St. Petersburg 197101 (Russian Federation); Vilejshikova, E.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Khaidukov, N.M. [N.S. Kurnakov Institute of General and Inorganic Chemistry, 31 Leninskii Prospekt, Moscow 119991 (Russian Federation); Méndez-Ramos, J. [Departamento de Física, Universidad de La Laguna, La Laguna 38206, Tenerife (Spain); Mateos, X. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona 43007 (Spain); Yumashev, K.V., E-mail: k.yumashev@tut.by [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus)

2017-05-15

Absorption and emission properties of Er{sup 3+} ions in a cubic elpasolite crystal, Cs{sub 2}NaYF{sub 6}, are modeled within the Judd-Ofelt (J-O) theory. The J-O intensity parameters have been determined: Ω{sub 2} = 0.665, Ω{sub 4} = 0.217 and Ω{sub 6} = 0.029 ×10{sup –20} cm{sup 2}. The elpasolite structure of Cs{sub 2}NaYF{sub 6} containing isolated [YF{sub 6}] polyhedra allows high Er{sup 3+} doping levels up to 100 at% without considerable concentration quenching of luminescence and exceptionally long lifetimes of the excited states (in particular, the radiative lifetimes of the {sup 4}I{sub 13/2} and {sup 4}I{sub 11/2} states are as long as 36.7 ms and 113.4 ms, respectively). It also shows weak non-radiative relaxation. Stimulated-emission cross-sections have been determined for the Er{sup 3+} transitions in Cs{sub 2}NaYF{sub 6} at ~2.7 and ~1.5 μm as well as in the visible spectral range.

Fading of LiF and CaF2:Dy

International Nuclear Information System (INIS)

Ben-Shachar, B.; German, U.; Weiser, G.

1983-03-01

The fading of LiF and CaF 2 :Dy was investigated and the results were compared to the literature. The effect of thermal annealing was studied in order to reduce the fading in both phosphors and to minimize the effects of the environment on CaF 2 :Dy. Minimizing the fading and knowing its time dependence make possible the exact personal and environmental dosimetry. (Author)

Spatially selective Er/Yb-doped CaF2 crystal formation by CO2 laser exposure

International Nuclear Information System (INIS)

Kim, Dong-Seon; Lee, Jin-Ho; Lim, Ki-Soo

2014-01-01

Highlights: • Oxyfluoride glass–ceramics containing CaF 2 nanocrystals doped with Er 3+ and Yb 3+ ions were formed on the glass surface by CO 2 laser and a heat gun exposure. • Most of Er and Yb ions were distributed inside CaF 2 nanocrystals and fluorine loss was observed in the EDS element maps. • IR-to-VIS upconversion emission efficiency of laser annealed glass ceramics was much increased and compared with that of the furnace-annealed glass ceramics. • Distributed volume of the glass ceramics were estimated by a confocal fluorescence microscope imaging. - Abstract: We report the glass–ceramic precipitation on the oxyfluoride glass surface by spatially selective annealing with a CO 2 laser and a heat gun exposure. X-ray diffraction analysis showed the formation of major CaF 2 and miner Ca 2 SiO 4 nanoparticles. We observed ∼100 nm nanoparticle aggregation by tunneling electron microscopy and element distribution in glass and crystal phases. Spatial distribution of glass ceramics near the glass surface was probed by confocal fluorescence microscope by using much enhanced emission from the Er ions in the laser-treated area. Strong emissions at 365 nm excitation and visible up-conversion emissions at 980 nm excitation also indicated well incorporation of Er and Yb ions into a crystalline environment

Spatially selective Er/Yb-doped CaF2 crystal formation by CO2 laser exposure

International Nuclear Information System (INIS)

Kim, Dong-Seon; Lee, Jin-Ho; Lim, Ki-Soo

2015-01-01

Highlights: • Oxyfluoride glass–ceramics containing CaF 2 nanocrystals doped with Er 3+ and Yb 3+ ions were formed on the glass surface by CO 2 laser and a heat gun exposure. • Most of Er and Yb ions were distributed inside CaF 2 nanocrystals and fluorine loss was observed in the EDS element maps. • IR-to-VIS upconversion emission efficiency of laser annealed glass ceramics was much increased and compared with that of the furnace-annealed glass ceramics. • Distributed volume of the glass ceramics were estimated by a confocal fluorescence microscope imaging. - Abstract: We report the glass–ceramic precipitation on the oxyfluoride glass surface by spatially selective annealing with a CO 2 laser and a heat gun exposure. X-ray diffraction analysis showed the formation of major CaF 2 and miner Ca 2 SiO 4 nanoparticles. We observed ∼100 nm nanoparticle aggregation by tunneling electron microscopy and element distribution in glass and crystal phases. Spatial distribution of glass ceramics near the glass surface was probed by confocal fluorescence microscope by using much enhanced emission from the Er ions in the laser-treated area. Strong emissions at 365 nm excitation and visible up-conversion emissions at 980 nm excitation also indicated well incorporation of Er and Yb ions into a crystalline environment

Fabrication and characterisation of nanostructures on CaF2

International Nuclear Information System (INIS)

Batzill, M.M.

1999-04-01

Novel nanostructure fabrication techniques are described in this dissertation. Furthermore, an unusual two dimensional phase segregation on CaF 2 surfaces after glancing incidence ion beam irradiation is reported. Atomic force microscope (AFM)-tip assisted self-organisation of clusters on anisotropic surfaces is illustrated. This new technique for the fabrication of periodic structures has been demonstrated using silver clusters grown on vicinal CaF 2 (111) surfaces. The scanning action of the tip aligns silver clusters along crystal step edges on the vicinal surface. Nanowire arrays of silver with a uniform periodicity of 20-50 nm and wire widths of 5-7 nm have been achieved over the entire area scanned by the AFM. Calcium remaining on CaF 2 surfaces after electron irradiation induced depletion of the surface of fluorine is found to re-organise itself into island structures. These islands show a shape transition, upon reaching a critical size of ∼ 20 nm in diameter, from a compact to an elongated island shape. Crystal step edge erosion of fluorine allows the formation of long ranging nanowires. These wires have a uniform width of ∼ 15 nm. The observed island shape transition and the width of the wires has been explained by the presence of strain in the islands. This is the first experimental observation confirming a theoretical prediction of the reduction of island width with increasing length for strained islands. A novel technique of ion beam assisted fabrication of periodic nanowire arrays over macroscopic areas is reported. Potential sputtering of CaF 2 surfaces leads to a calcium enriched surface that organised itself in stress domains due to the lattice misfit between calcium and CaF 2 . These stress domains can be oriented by directed ion beam irradiation under glancing angles in parallel stripes with a periodicity of 8-12 nm. A phase segregation on the CaF 2 (111) surface has been observed upon glancing incidence ion beam irradiation under certain

Calculation of phase equilibria in the Na2SO4-K2SO4-Cs2SO4-H2O system at 25 deg C

International Nuclear Information System (INIS)

Filippov, V.K.; Kalinkin, A.M.; Vasin, S.K.

1990-01-01

Calculation results of solubility diagram and water activity in saturated solutions of Na 2 SO 4 -K 2 SO 4 -Cs 2 SO 4 -H 2 O system at 25 deg C are presented. It is shown that for the calculation of quaternary systems one can use the Pitzer equations. Solubility diagram for the system studied is plotted and data on composition and water activity of solutions saturated by two or three solid phases are given. Classification of nonvariant equilibria from the viewpoint of isomorphism of solubility and fusibility diagrams permits to depict the direction of phase processes during isothermal evaporation of water

Photoresponse of CsPbBr3 and Cs4PbBr6 Perovskite Single Crystals.

Science.gov (United States)

Cha, Ji-Hyun; Han, Jae Hoon; Yin, Wenping; Park, Cheolwoo; Park, Yongmin; Ahn, Tae Kyu; Cho, Jeong Ho; Jung, Duk-Young

2017-02-02

High-quality and millimeter-sized perovskite single crystals of CsPbBr 3 and Cs 4 PbBr 6 were prepared in organic solvents and studied for correlation between photocurrent generation and photoluminescence (PL) emission. The CsPbBr 3 crystals, which have a 3D perovskite structure, showed a highly sensitive photoresponse and poor PL signal. In contrast, Cs 4 PbBr 6 crystals, which have a 0D perovskite structure, exhibited more than 1 order of magnitude higher PL intensity than CsPbBr 3 , which generated an ultralow photoresponse under illumination. Their contrasting optoelectrical characteristics were attributed to different exciton binding energies, induced by coordination geometry of the [PbBr 6 ] 4- octahedron sublattices. This work correlated the local structures of lead in the primitive perovskite and its derivatives to PL spectra as well as photoconductivity.

Crystal structure of Cs3H(SeO4)2 (T=295 K) and its changes in phase transformations

International Nuclear Information System (INIS)

Merinov, B.V.; Bolotina, N.B.; Baranov, A.I.; Shuvalov, L.A.

1988-01-01

Crystal structure of Cs 3 H(SeO 4 ) 2 3 phase at T=295 K is decoded by X-ray diffraction data. Monoclinic cell parameters are improved: a=10.903(3), b=6.390(8), c=8.452(2)A, β=112.46(1) deg, V=544 A 3 , Z=2, sp. gr. C2/m. Structural peculiarities of 3↔2↔1 phase transitions in Cs 3 H(SeO 4 ) 2 and proton conductivity mechanism in superionic phase are considered

Fabrication and spectral properties of Nd, La: CaF2 transparent ceramics

Science.gov (United States)

Xie, Xiaoyu; Mei, Bingchu; Song, Jinghong; Li, Weiwei; Su, Liangbi

2018-02-01

1 at.% Nd: CaF2 nanoparticles doped with different concentrations of La3+ ions (from 0 to 5 at.%) were synthesized by co-precipitation method. Phase identification, morphology of the nanoparticles were investigated by XRD and SEM measurements. The Nd, La: CaF2 ceramics were fabricated by hot-pressed method in the vacuum environment. The transmittance of all the ceramics reached 88% at the wavelength of 1400 nm. The luminescence intensities and decay lifetimes enhanced significantly with the increasing of La3+ concentration. The Nd, La: CaF2 ceramics have broad and flat emission band at 1050 nm with the largest FWHM of 28.16 nm. In addition, the spectrum results indicated that the fluorescence lifetime of Nd, La: CaF2 ceramics was longer than that of the Nd, Y: CaF2 ceramics with the same doping concentration.

Modular metal chalcogenide chemistry: secondary building blocks as a basis of the silicate-type framework structure of CsLiU(PS_4)_2

International Nuclear Information System (INIS)

Neuhausen, Christine; Rocker, Frank; Tremel, Wolfgang

2012-01-01

The novel uranium thiophosphate CsLiU(PS_4)_2 has been synthesized by reacting uranium metal, Cs_2S, Li_2S, S, and P_2S_5 at 700 C in an evacuated silica tube. The crystal structure was determined by single-crystal X-ray diffraction techniques. CsLiU(PS_4)_2 crystallizes in the rhombohedral space group R anti 3c (a = 15.2797(7) Aa; c = 28.778(2) Aa, V = 5818.7(5) Aa"3, Z = 18). The structure of CsLiU(PS_4)_2 is a unique three-dimensional U(PS_4)_2"2"- framework with large tunnels with an approximate diameter of 6.6 Aa running parallel to the crystallographic c axis. The tunnels are filled with Cs"+ cations. The smaller Li"+ cations are located at tetrahedral sites at the periphery of the channels. In the structure of CsLiU(PS_4)_2 the uranium atoms are coordinated by thiophosphate groups in a pseudotetrahedral fashion, and the PS_4 groups act as linear connectors. Topologically, CsLiU(PS_4)_2 may be regarded a chalcogenide analogue of silicate frameworks, with the uranium atoms and PS_4 groups replacing silicon and oxygen atoms. Alternatively, CsLiU(PS_4)_2 may be viewed as a coordination polymer, which is formed in salt melts by the solid state equivalent of the ''self-assembly'' reactions in solution. Magnetic susceptibility measurements indicated Curie-Weiss-type behavior between 4 K and 300 K. The μ_e_f_f of 2.83 μ_B at 300 K is in agreement with an f"2 configuration of U"4"+. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Acid-base chemistry and proton conductivity of CsHSO₄, CsH₂PO₄ and their mixtures with N-heterocycles  

DEFF Research Database (Denmark)

Aili, David; Gao, Ying; Han, Junyoung

2017-01-01

temperature range of CsH2PO4 as well. Binary mixtures of CsH2PO4 with 1,2,4-triazole, benzimidazole or imidazole were prepared by means of mechanochemical synthesis. Mixtures based on CsHSO4 were prepared as a basis for a comparative discussion. It was found that CsHSO4 formed organic-inorganic salts, while...

Scintillation and optical stimulated luminescence of Ce-doped CaF2

International Nuclear Information System (INIS)

Yanagida, Takayuki; Fujimoto, Yutaka; Watanabe, Kenichi; Fukuda, Kentaro; Kawaguchi, Noriaki; Miyamoto, Yuka; Nanto, Hidehito

2014-01-01

Scintillation and optical stimulated luminescence of Ce 0.1–20% doped CaF 2 crystals prepared by Tokuyama Corp. were investigated. In X-ray induced scintillation spectra, luminescence due to Ce 3+ 5d–4f transition appeared around 320 nm with typically 40 ns decay time. By 241 Am 5.5 MeV α-ray irradiation, 0.1% doped one showed the highest scintillation light yield and the light yield monotonically decreased with Ce concentrations. Optically stimulated luminescence after X-ray irradiation was observed around 320 nm under 550 or 830 nm stimulation in all samples. As a result, intensities of optically stimulated luminescence were proportional to Ce concentrations. Consequently, scintillation and optically stimulated luminescence resulted to have a complementary relation in Ce-doped CaF 2 system. - Highlights: • Optical, scintillation, and OSL properties of Ce 0.1–20% doped CaF 2 were studied. • Scintillation light yield exhibited inverse proportionality to Ce concentrations. • OSL intensities showed proportionality to Ce concentrations. • Complementary relation of scintillation and OSL was experimentally confirmed

The high temperature synthesis of CsAlSiO 4-ANA, a new polymorph in the system Cs 2OAl 2O 3SiO 2. I. The end member of ANA type of zeolite framework

Science.gov (United States)

Dimitrijevic, R.; Dondur, V.; Petranovic, N.

1991-12-01

High temperature phase transformations of Cs + exchanged zeolites were investigated. Above 1000°C, CsX, CsY (FAU), and Cs, ZK-4 (LTA) frameworks recrystallized in a pollucite phase. A Cs + loaded mordenite recrystallized at 1300°C in the orthorhombic CsAlSi 5O 12 phase. A Cs + exchanged zeolite A at 960°C recrystallized in a mixture of two polymorphic CsAlSiO 4 phases having different (Al,Si)O 4 frameworks. The unstable orthorhombic CsAlSiO 4ABW phase has a topotactic transition at 1150°C into an ordered low CsAlSiO 4-ANA framework. Further calcination produces, at 1200°C, transformation of the low CsAlSiO 4-ANA phase to the more stable high CsAlSiO 4-ANA polymorph having cubic ( a 0 = 13.6595 (5) Å) symmetry and an ordered SiAl distribution. The crystal structure of high CsAlSiO 4ANA, a new polymorph in the system Cs 2OAl 2O 3SiO 2, was determined using X-ray Rietveld analyses and 29Si MAS NMR spectroscopy.

Structural transitions, ion mobility, and conductivity in CsSbF3(H2PO4)

Science.gov (United States)

Kavun, V. Ya.; Uvarov, N. F.; Slobodyuk, A. B.; Ulihin, A. S.; Kovaleva, E. V.; Zemnukhova, L. A.

2018-02-01

Structural transitions, ion mobility, and conductivity in CsSbF3(H2PO4) (I) have been investigated by the methods of 1H, 19F, 31P NMR (including 1H, 19F, 31P MAS NMR), DSC, X-ray diffraction, and impedance spectroscopy. It was found that the fundamental changes in 1H, 19F, 31P NMR spectra (above 390 K) were associated with the formation of a crystalline disorder phase I with high ionic mobility in the proton and fluoride sublattices, as a result of a phase transition in the 400-420 K range. In the same temperature range, the transition of PO2(OH)2- anions from the "rigid lattice" to fast reorientations takes place. Above 430 K, there occurs a transition from the crystalline disordered phase to the amorphous one. The types of ion mobility in CsSbF3(H2PO4) and its amorphous phase have been established and temperature ranges of their realization have been determined (150-450 K). According to the NMR data, the diffusion in the proton sublattice of the disordered crystalline and amorphous phases is preserved even at room temperature. The ionic conductivity in CsSbF3(H2PO4) reaches the values of 2.6 × 10-4 S/cm in the temperature range 410-425 K and decreases down to 2.0 × 10-5 S/cm upon transition to the amorphous phase (435-445 K).

Synthesis of CaF2: dy for thermoluminescent dosimetry

International Nuclear Information System (INIS)

Yamato, M.E.P.; Vasconcelos, D.A.A. de; Asfora, V.K.; Khoury, H.J.; Santos, R.A.; Barros, V.S.M.

2015-01-01

Calcium Fluoride doped with dysprosium is a known thermoluminescent material for applications that require highly sensitive dosimeters. Research in novel methods such as Combustion Synthesis (CS) has been ongoing for several years at the University of Pernambuco. The method uses the heat of the oxi-redox reaction a between nitrate and a fuel. This work presents results of CaF 2 :Dy produced by combustion synthesis under different fabrication conditions. Samples were prepared by mixing stoichiometric amounts of calcium nitrate, urea and ammonium nitrate in a beaker under vigorous stirring. The resulting gel was transferred to a pre-heated muffle furnace were the combustion reaction occurred after a few minutes. For comparison, a variation of the production method with the same amounts of nitrate, ammonium fluoride and dopant, but without using the fuel was prepared. For both methods the resulting powder was pelleted and irradiated with Co-60 gamma radiation. The reproducibility and sensitivity for gamma dose irradiation was tested and results showed that optimum TL sample reproducibility was without the urea as fuel. Samples were then prepared with 0.05, 0.10, 0.15 and 0.20 mol% Dy concentration. The highest TL sensitivity was found for samples with 0.15 mol% Dy and sintered at 400 deg C for 3.5 h in air. The TL emission spectra, obtained using a Hammamatsu optical spectrometer, was comparable with commercial CaF 2 :Dy. Thermoluminescence was measured in a Harshaw-Bicron 3500 TL Reader. The glow curve showed stable dosimetric peaks at around 200, 235 and 300 deg C were a linear dose response curve was obtained for the range 100 mGy to 1000 mGy. (author)

Investigation on ultracold RbCs molecules in (2)0{sup +} long-range state below the Rb(5S{sub 1/2}) + Cs(6P{sub 1/2}) asymptote by high resolution photoassociation spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yuan, Jinpeng; Ji, Zhonghua; Li, Zhonghao; Zhao, Yanting, E-mail: zhaoyt@sxu.edu.cn; Xiao, Liantuan; Jia, Suotang [State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006 (China)

2015-07-28

We present high resolution photoassociation spectroscopy of RbCs molecules in (2)0{sup +} long-range state below the Rb(5S{sub 1/2}) + Cs(6P{sub 1/2}) asymptote and derive the corresponding C{sub 6} coefficient, which is used to revise the potential energy curves. The excited state molecules are produced in a dual-species dark spontaneous force optical trap and detected by ionizing ground state molecules after spontaneous decay, using a high sensitive time-of-flight mass spectrum. With the help of resonance-enhanced two-photon ionization technique, we obtain considerable high resolution photoassociation spectrum with rovibrational states, some of which have never been observed before. By applying the LeRoy-Bernstein method, we assign the vibrational quantum numbers and deduce C{sub 6} coefficient, which agrees with the theoretical value of A{sup 1}Σ{sup +} state correlated to Rb(5S{sub 1/2}) + Cs(6P{sub 1/2}) asymptote. The obtained C{sub 6} coefficient is used to revise the long-range potential energy curve for (2)0{sup +} state, which possesses unique A − b mixing characteristic and can be a good candidate for the production of absolutely ground state molecule.

Systems of Rb2I2-CdI2-PbI2 and Cs2I2-CdI2-PbI2

International Nuclear Information System (INIS)

Volchanskaya, V.V.; Il'yasov, I.I.

1979-01-01

The Rb 2 I 2 -CdI 2 -PbI 2 and Cs 2 I 2 -CdI 2 -PbI 2 triple systems have been studied, using the visual-polythermal method. The liquidus of the systems researched consists of the components and compounds crystallization fields: 2RbIxCdI 2 , 2RbIxRbI 2 , RbIxPbI 2 and 2CsIxCdI 2 , 4CsIxPbI 2 , CsIxPbI 2 , respectively. The crystallization fields converge in four non-variant points at 360, 280, 205 and 192 deg C in the Rb 2 I 2 -CdI 2 -PbI 2 system and at 375, 368, 208 and 190 deg C in the CsI 2 -CdI 2 -PbI 2 system

Defect-induced wetting on BaF 2(111) and CaF 2(111) at ambient conditions

Science.gov (United States)

Cardellach, M.; Verdaguer, A.; Fraxedas, J.

2011-12-01

The interaction of water with freshly cleaved (111) surfaces of isostructural BaF2 and CaF2 single crystals at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes and optical microscopy. Such surfaces exhibit contrasting behaviors for both materials: while on BaF2(111) two-dimensional water layers are formed after accumulation at step edges, CaF2(111) does not promote the formation of such layers. We attribute such opposed behavior to lattice match (mismatch) between hexagonal water ice and the hexagonal (111) surfaces of BaF2(CaF2). Optical microscope images reveal that this behavior also determines the way the surfaces become wetted at a macroscopic level.

Phase transition in the (Li 0.5-( x/2) K 0.5-( x/2) Cs x) 2SO 4 system

Science.gov (United States)

Hamed, A. E.; El-Aziz, Y. M. Abd.; Madi, N. K.; Kassem, M. E.

1995-12-01

Phase transition in the (Li 0.5-( x/2) K 0.5-( x/2) Cs x) 2SO 4 system was studied by measuring the specific heat at constant pressure, C p, as a function of temperature in the temperature range 300-800 K. For non-zero values of X ( X = 0.2%, 0.5%, 1% and 2%) the critical behaviour of the phase transition was found to change considerably compared with that of X = 0 or pure LiKSO 4. The observed change in the phase transition with increase of Cs 2SO 4 content ( X) was accompanied by a decrease in the thermodynamic parameters: the value of the specific heat at the transition point (Δ C P) max, the transition temperature, T1, and the value of the energy of ordering. The results were interpreted within the Landau thermodynamic theory of the phase transition.

Phonon spectra of elpasolites Cs{sub 2}NaRF{sub 6} (R=Y,Yb): Ab initio calculations

Energy Technology Data Exchange (ETDEWEB)

Chernyshev, Vladimir, E-mail: Vladimir.Chernyshev@urfu.ru; Petrov, Vladislav; Nikiforov, Anatoliy; Zakiryanov, Dmitriy [Ural Federal University, Ekaterinburg (Russian Federation)

2015-12-07

The influence of hydrostatic pressure on structure and dynamics of a crystal lattice of elpasolites Cs{sub 2}NaYbF{sub 6} and Cs{sub 2}NaYF{sub 6} (S.G. 225) within ab initio approach is investigated. Frequencies and irreducible representations (irreps) of phonon modes are determined. Elastic constants are calculated. The calculations are carried out within MO LCAO approach using DFT method with hybrid functionalities of B3LYP and PBE0 in CRYSTAL09 periodic code. For the description of rare earth ion the pseudopotential replacing internal orbitals including 4f orbitals was used. External 5s and 5p orbitals defining chemical bond were described by valence basis sets.

Pure Cs4PbBr6: Highly Luminescent Zero-Dimensional Perovskite Solids

KAUST Repository

Saidaminov, Makhsud I.; Almutlaq, Jawaher; Sarmah, Smritakshi P.; Dursun, Ibrahim; Zhumekenov, Ayan A.; Begum, Raihana; Pan, Jun; Cho, Nam Chul; Mohammed, Omar F.; Bakr, Osman

2016-01-01

more than 2 orders of magnitude lower PLQY. Such a PLQY of Cs4PbBr6 is significantly higher than that of other solid forms of lower-dimensional metal halide perovskite derivatives and perovskite nanocrystals. We attribute this dramatic increase in PL

Size Controlled CaF2 Nanocubes and Their Dosimetric Properties Using Photoluminescence Technique

Directory of Open Access Journals (Sweden)

Najlaa D. Alharbi

2015-01-01

Full Text Available A new synthetic chemical coprecipitation route for the preparation of well-crystallized size controlled nano- and microcrystalline cubes of CaF2 is reported. Crystalline cubes in the range of 2 μm–20 nm could be synthesized and their sizes were controlled by varying the solvent : cosolvent ratio. The as-synthesized CaF2 nanocubes were characterized by different techniques. Photoluminescence (PL emission spectrum of CaF2 nanocrystalline powder showed strong emission band at 415 nm. Moreover, the effect of Eu as a dopant on the emission spectrum of CaF2 was investigated. This dopant was found to get incorporated in its Eu2+ and Eu3+ forms. The as-produced nanocubes were exposed to UV irradiation and the corresponding PL emission was studied. Excellent results are obtained, where CaF2:Eu nanocubes were found to be highly sensitive and might be suitable for esteeming the doses of UV irradiation using the PL technique.

Spectrochemical Series and the Dependence of Racah and 10Dq Parameters on the Metal−Ligand Distance: Microscopic Origin

DEFF Research Database (Denmark)

Trueba, A.; Garcia-Fernandez, P.; García Lastra, Juan Maria

2011-01-01

The origin of the spectrochemical series and the different dependence of crystal-field splitting (10Dq) and Racah parameters on the metal−ligand distance, R, is explored through ab initio calculations on Cr3+-doped K2NaScF6, Cs2NaYCl6, Cs2NaYBr6, and Cs2NaYI6 lattices. For this purpose both...... is actually responsible for the reduction of Racah parameters. This study thus reveals the microscopic origin of the stronger dependence upon R of 10Dq when compared to that observed for Racah parameters, thus explaining why electronic transitions which are 10Dq-independent give rise to sharp optical bands...

Alpha-gamma pulse shape discrimination in CsI:Tl, CsI:Na and BaF sub 2 scintillators

CERN Document Server

Dinca, L E; Haas, J; Bom, V R; Eijk, C W E

2002-01-01

Some scintillating materials offer the possibility of measuring well separated alpha and gamma scintillation response using a single crystal. Eventually aiming at thermal neutron detection using sup 6 Li or sup 1 sup 0 B admixture, pulse shape discrimination measurements were made on three scintillators: CsI:Tl, CsI:Na and pure BaF sub 2 crystals. A very good alpha/gamma discrimination was obtained using sup 2 sup 2 Na, sup 2 sup 4 sup 1 Am (gamma) and sup 2 sup 4 sup 4 Cm (alpha) radioactive sources.

Synthesis and characterization of new fluoride-containing manganese vanadates A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}VO{sub 4}F

Energy Technology Data Exchange (ETDEWEB)

Sanjeewa, Liurukara D. [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States); McGuire, Michael A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Smith Pellizzeri, Tiffany M.; McMillen, Colin D. [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States); Ovidiu Garlea, V. [Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Willett, Daniel; Chumanov, George [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States); Kolis, Joseph W., E-mail: kjoseph@clemson.edu [Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, Clemson, SC 29634-0973 (United States)

2016-09-15

Large single crystals of A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}VO{sub 4}F were grown using a high-temperature (~600 °C) hydrothermal technique. Single crystal X-ray diffraction and powder X-ray diffraction were utilized to characterize the structures, which both possess MnO{sub 4}F{sub 2} building blocks. The A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed of zigzag chains of edge-sharing MnO{sub 4}F{sub 2} units running along the a-axis, and interconnected through V{sub 2}O{sub 7} pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn{sup 2+} indicated that Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} is antiferromagnetic with a Neél temperature, T{sub N}=~3 K and a Weiss constant, θ, of −11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V–O vibrational modes in Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}. Mn{sub 2}(VO{sub 4})F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn{sup 2+}. These interpenetrating chains are additionally connected through isolated VO{sub 4} tetrahedra to form the condensed structure. - Graphical abstract: New vanadate fluorides A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}(VO{sub 4})F have been synthesized hydrothermally. Upon cooling, the one-dimensional Mn(II) substructure results in antiferromagnetic

Ternary rare-earth halides of the A2MX5 type (A = K, In, NH4, Rb, Cs; X = Cl, Br, I)

International Nuclear Information System (INIS)

Meyer, G.; Soose, J.; Moritz, A.; Vitt, V.; Holljes, T.

1985-01-01

Ternary rare-earth (=M) chlorides, bromides, and iodides In 2 MCl 5 , (NH 4 ) 2 MCl 5 , Rb 2 MCl 5 , Cs 2 MCl 5 , CsRbMCl 5 , K 2 MBr 5 , Rb 2 MBr 5 , K 2 MI 5 , and Rb 2 MI 5 have been synthesized. Single crystals of In 2 PrCl 5 , Rb 2 PrCl 5 , K 2 PrBr 5 , and K 2 PrI 5 were grown and the structures refined. The other halides were characterized by X-ray powder patterns. They are isotypic either with K 2 PrCl 5 (orthorhombic, Pnma, Z = 4, hexagonal arrangement of chains of edge-connected polyhedra [PrX 7 ]) or with Cs 2 DyCl 5 (orthorhombic, Pbnm, Z = 4, hexagonal arrangement of cis-corner-connected octahedra [DyCl 6 ]) which may be discriminated in structure field diagrams. The thermal expansion was investigated for Cs 2 LuCl 5 and Rb 2 PrX 5 (X = Cl, Br, I). (author)

Performance of LiAlloy/Ag(2)CrO(4) Couples in Molten CsBr-LiBr-KBr Eutectic

International Nuclear Information System (INIS)

GUIDOTTI, RONALD A.; REINHARDT, FREDERICK W.

1999-01-01

The performance of Li-alloy/CsBr-LiBr-KBr/Ag(sub 2)CrO(sub 4) systems was studied over a temperature range of 250 C to 300 C, for possible use as a power source for geothermal borehole applications. Single cells were discharged at current densities of 15.8 and 32.6 mA/cm(sup 2) using Li-Si and Li-Al anodes. When tested in 5-cell batteries, the Li-Si/CsBr-LiBr-KBr/Ag(sub 2)CrO(sub 4) system exhibited thermal runaway. Thermal analytical tests showed that the Ag(sub 2)CrO(sub 4) cathode reacted exothermically with the electrolyte on activation. Consequently, this system would not be practical for the envisioned geothermal borehole applications

Synthesis of the Novel 4,4’- and 6,6’- Dihydroxamic - 2,2’-Bipyridines and Improved Routes to 4,4’- and 6,6’- Substituted 2,2’-Bipyridines and Mono-N-Oxide-2,2’-Bipyridine

OpenAIRE

Donnici,Claudio Luis; Máximo Filho,Daniel Henrique; Moreira,Leda Lúcia Cruz; Reis,Genuína Teixeira dos; Cordeiro,Estefania Santos; Oliveira,Ione Ma. Ferreira de; Carvalho,Sandra; Paniago,Eucler B.

1998-01-01

The preparation of key precursors for many 2,2’-bipyridine derivatives such as 4,4’-dicarboxy- 2,2’-bipyridine (I), 6,6’-dicarboxy-2,2’-bipyridine- acid (II), 4,4’-dinitro-2,2’-bipyridine-N,N-dioxide (III), 6,6’-dicarbothioamide-2,2’-bipyridine (IV) and mono-N-oxide-2,2’-bipyridine (VII) through more efficient methods is described. The syntheses of the novel ligands 4,4’-dihydroxamic-2,2’-bipyridine (V) and 6,6’-dihydroxamic-2,2’-bipyridine (VI) are also reported. Neste trabalho relatamos ...

Molecular CsF 5 and CsF 2 +

KAUST Repository

Rogachev, Andrey Yu.; Miao, Mao-sheng; Merino, Gabriel; Hoffmann, Roald

2015-01-01

D5h star-like CsF5, formally isoelectronic with known XeF5− ion, is computed to be a local minimum on the potential energy surface of CsF5, surrounded by reasonably large activation energies for its exothermic decomposition to CsF+2 F2, or to CsF3 (three isomeric forms)+F2, or for rearrangement to a significantly more stable isomer, a classical Cs+ complex of F5−. Similarly the CsF2+ ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.

Molecular CsF 5 and CsF 2 +

KAUST Repository

Rogachev, Andrey Yu.

2015-06-03

D5h star-like CsF5, formally isoelectronic with known XeF5− ion, is computed to be a local minimum on the potential energy surface of CsF5, surrounded by reasonably large activation energies for its exothermic decomposition to CsF+2 F2, or to CsF3 (three isomeric forms)+F2, or for rearrangement to a significantly more stable isomer, a classical Cs+ complex of F5−. Similarly the CsF2+ ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.

Rietveld refinement of the orthorhombic Pbca structures of Rb2CdSi5O12, Cs2MnSiO5O12, Cs2CoSi5O12 and Cs2NiSi5O12 leucites by synchrotron X-ray powder diffraction

International Nuclear Information System (INIS)

Bell, A.M.T.; Henderson, C.M.B.

1996-01-01

Analysis of high-resolution synchrotron X-ray powder diffraction patterns for hydrothermally synthesized Rb 2 CdSi 5 O 12 and Cs 2 MnSi 5 O 12 leucite analogues, and dry-synthesized Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite analogues showed that they have an orthorhombic Pbca structure. The structures have been refined by the Rietveld method, showing that the tetrahedrally coordinated atoms (Si, Cd, Mn, Co and Ni) are ordered on separate sites. The Cs 2 MnSi 5 O 12 , Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite samples are unusual in containing SiO 4 tetrahedra which are more distorted, on average, than the larger MnO 4 , CoO 4 and NiO 4 tetrahedra. The JCPDS file numbers for Rb 2 CdSi 5 O 12 , Cs 2 MnSi 5 O 12 and Cs 2 CoSi 5 O 12 are 46-1491, 46-1492 and 46-1493, respectively. (orig.)

Two structure types based on Si6O15 rings: synthesis and structural and spectroscopic characterisation of Cs1.86K1.14DySi6O15 and Cs1.6K1.4SmSi6O15

International Nuclear Information System (INIS)

Wierzbicka-Wieczorek, Maria; Goeckeritz, Martin; Kolitsch, Uwe; Lenz, Christoph; Giester, Gerald

2015-01-01

The silicate Cs 1.86 K 1.14 DySi 6 O 15 represents a mixed tetrahedral-octahedral framework structure type based on roughly circular Si 6 O 15 rings and isolated DyO 6 octahedra. The silicate Cs 1.6 K 1.4 SmSi 6 O 15 has a layered atomic arrangement built from corrugated Si 6 O 15 layers containing four-, six- and eight-membered rings. The layers are connected by isolated SmO 6 octahedra to form a mixed tetrahedral-octahedral framework. This structure shows a close structural relationship to β-K 3 NdSi 6 O 15 and a less close one to dehydrated elpidite (Na 2 ZrSi 6 O 15 ). In both structures, Cs/K atoms occupy large voids. The silicates were obtained through high-temperature flux syntheses. Their crystal structures have been determined from single-crystal X-ray diffraction data. Cs 1.86 K 1.14 DySi 6 O 15 crystallises in R32 (no. 155) with a = 13.896(2), c = 35.623(7) Aa and V = 5957.2(17) Aa 3 , whereas Cs 1.6 K 1.4 SmSi 6 O 15 crystallises in Cmca (no. 64) with a = 14.474(3), b = 14.718(3), c = 15.231(3) Aa and V = 3244.7(11) Aa 3 . The Dy 3+ and Sm 3+ cations present in the silicates cause PL emission bands in the visible yellow-to-orange spectral range. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Structural diversities induced by cation sizes in a series of fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs).

Science.gov (United States)

Chen, Zhang-Gai; Huang, Xia; Zhuang, Rong-Chuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi

2017-09-12

Germanophosphates, in comparison with other metal phosphates, have been less studied but potentially exhibit more diverse structural chemistry with wide applications. Herein we applied a hydro-/solvo-fluorothermal route to make use of both the "tailor effect" of fluoride for the formation of low dimensional anionic clusters and the presence of alkali cations of different sizes to align the anionic clusters to control the overall crystal symmetries of germanophosphates. The synergetic effects of fluoride and alkali cations led to structural changes from chain-like structures to layered structures in a series of five novel fluorogermanophosphates: A 2 [GeF 2 (HPO 4 ) 2 ] (A = Na, K, Rb, NH 4 , and Cs, denoted as Na, K, Rb, NH4, and Cs). Although these fluorogermanophosphates have stoichiometrically equivalent formulas, they feature different anionic clusters, diverse structural dimensionalities, and contrasting crystal symmetries. Chain-like structures were observed for the compounds with the smaller sized alkali ions (Na + , K + , and Rb + ), whereas layered structures were found for those containing the larger sized cations ((NH 4 ) + and Cs + ). Specifically, monoclinic space groups were observed for the Na, K, Rb, and NH4 compounds, whereas a tetragonal space group P4/mbm was found for the Cs compound. These compounds provide new insights into the effects of cation sizes on the anionic clusters built from GeO 4 F 2 octahedra and HPO 4 tetrahedra as well as their influences on the overall structural symmetries in germanophosphates. Further characterization including IR spectroscopy and thermal analyses for all five compounds is also presented.

Measurements of CaF2 concentration in fluorite ore using thermoluminescence techniques

International Nuclear Information System (INIS)

Lembo, L.; Maestri, G.; Pimpinella, M.; Benzi, V.; Muntoni, C.

1990-01-01

Fluorite powder is produced by means of a flotation process on crude ore extracted by the mines. A full automation of the flotation plant would reduce the operating cost and improve the quality and recovery of fluorite production. However, taking into account that the efficiency of a flotation cycle is directly dependent on the CaF 2 content in the concentrate and tail products, this automation requires a quasi-real-time quantitative analysis of CaF 2 concentration in the floated pulp. The feasibility was studied of using a thermoluminescence technique as an on-line analysis method to measure the CaF 2 concentration during the flotation cycle. A first set of experimental conditions to determine CaF 2 content in acid-grade fluorspar has been already developed and the preliminary results so far obtained are presented. (author)

Optical annealing of CaF2:Mn for cooled optically stimulated luminescence

International Nuclear Information System (INIS)

Miller, S.D.; Stahl, K.A.; Endres, G.W.R.; McDonald, J.C.

1989-01-01

Optical annealing of the cooled optically stimulated luminescence in CaF 2 :Mn at room temperature has been demonstrated. The laser of choice for optical annealing of CaF 2 : Mn is a 326 nm helium-cadmium ultraviolet laser. A complete cycle of readout and annealing of the CaF 2 :Mn cooled optically stimulated dosemeters can now be accomplished without heating the dosemeters above room temperature. This annealing work represents the next step toward creating a proton-recoil-based fast neutron dosimetry system based on the cooled optically stimulated luminescence technique. (author)

Quasi-self-trapped Frenkel-exciton near-UV luminescence with large Stokes shift in wide-bandgap Cs4PbCl6 nanocrystals

Science.gov (United States)

Zhang, Yumeng; Fan, Baolu; Liu, Yuzhen; Li, Hongxia; Deng, Kaiming; Fan, Jiyang

2018-04-01

Inorganic lead halide perovskite nanocrystals (NCs) have attracted great interest owing to their superior luminescence and optoelectronic properties. In comparison to cubic CsPbX3 (X = Cl, Br, or I) that has visible luminescence, trigonal Cs4PbX6 has a much larger bandgap and distinct optical properties. Little has been known about the luminescence properties of the Cs4PbX6 NCs. In this study, we synthesize the well-crystallized Cs4PbCl6 NCs with sizes of 2.2-11.8 nm, which exhibit stable and near-UV luminescence (with a lifetime of 19.7-24.2 ns) with a remarkable quantum confinement effect at room temperature. In comparison to the negligible Stokes shift in the CsPbCl3 NCs, the Stokes shift of the Cs4PbCl6 NCs is very large (0.91 eV). The experimental results in combination with the first-principles calculations reveal that the near-UV luminescence of the Cs4PbCl6 NCs stems from the Frenkel excitons self-trapped in the isolated PbCl64- octahedrons. This is different from the CsPbCl3 NCs whose luminescence originates from the free Wannier excitons. The theoretical model based on the lattice relaxation is proposed to account for the large Stokes shift and its abnormal decrease with the decreasing particle size.

Estimation of ultraviolet radiation dose using CaF2:Tb phosphor

International Nuclear Information System (INIS)

Fukuda, Y.; Ohtaki, H.; Owaki, S.

1996-01-01

To observe and estimate the dose of ultraviolet (UV) radiation in sunlight, the available thermoluminescence (TL) materials were studied. Several kinds of lanthanide elements were doped in pure CaF 2 powdered crystal and the properties of the Tl for UV were observed. The TL intensity from CaF 2 :Tb was the highest among the samples doped with various lanthanide elements, and form the TL emission spectra (380-540 nm) the TL is estimated to be due to inner transition of Tb 3+ . The peak wavelength of the TL excitation light was located approximately at 235 nm and light of a longer wavelength than 320 nm was unable to excite the TL. The ultraviolet response of CaF 2 :Tb depended on its sintering temperature. Even without γ ray pre-irradiation the CaF 2 :Tb sample with 1 h exposure to sunlight has enough sensitivity to estimate the change of UV. Seasonal change of UV intensity in sunlight was measured with this TLD during four months in 1993. The results agreed with that of other institutes in Japan. (author)

Direct comparison of Yb3+-doped LiYF4 and LiLuF4 as laser media at room-temperature

International Nuclear Information System (INIS)

Yin, J G; Hang, Y; He, X M; Zhang, L H; Zhao, C C; Gong, J; Zhang, P X

2012-01-01

We present an extensive comparative analysis on the growth, the spectroscopic features, and the laser performances of room temperature Yb(5%):LiYF 4 (YLF) and Yb(5%):LiLuF 4 (LLF) crystals in the same conditions. The gain cross section, fluorescence lifetimes, laser thresholds and laser slope efficiencies are compared for the first time. It appears that Yb 3+ -doped LLF crystal might be more promising for diode-pumped high power laser operation

Carcinoma associated fibroblasts (CAFs) promote breast cancer motility by suppressing mammalian Diaphanous-related formin-2 (mDia2).

Science.gov (United States)

Dvorak, Kaitlyn M; Pettee, Krista M; Rubinic-Minotti, Kaitlin; Su, Robin; Nestor-Kalinoski, Andrea; Eisenmann, Kathryn M

2018-01-01

The tumor microenvironment (TME) promotes tumor cell invasion and metastasis. An important step in the shift to a pro-cancerous microenvironment is the transformation of normal stromal fibroblasts to carcinoma-associated fibroblasts (CAFs). CAFs are present in a majority of solid tumors and can directly promote tumor cell motility via cytokine, chemokine and growth factor secretion into the TME. The exact effects that the TME has upon cytoskeletal regulation in motile tumor cells remain enigmatic. The conserved formin family of cytoskeleton regulating proteins plays an essential role in the assembly and/or bundling of unbranched actin filaments. Mammalian Diaphanous-related formin 2 (mDia2/DIAPH3/Drf3/Dia) assembles a dynamic F-actin cytoskeleton that underlies tumor cell migration and invasion. We therefore sought to understand whether CAF-derived chemokines impact breast tumor cell motility through modification of the formin-assembled F-actin cytoskeleton. In MDA-MB-231 cells, conditioned media (CM) from WS19T CAFs, a human breast tumor-adjacent CAF line, significantly and robustly increased wound closure and invasion relative to normal human mammary fibroblast (HMF)-CM. WS19T-CM also promoted proteasome-mediated mDia2 degradation in MDA-MB-231 cells relative to control HMF-CM and WS21T CAF-CM, a breast CAF cell line that failed to promote robust MDA-MB-231 migration. Cytokine array analysis of CM identified up-regulated secreted factors in WS19T relative to control WS21T CM. We identified CXCL12 as a CM factor influencing loss of mDia2 protein while increasing MDA-MB-231 cell migration. Our data suggest a mechanism whereby CAFs promote tumor cell migration and invasion through CXCL12 secretion to regulate the mDia2-directed cytoskeleton in breast tumor cells.

Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

Science.gov (United States)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

2015-04-01

High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

Polycrystalline dosimetric discs of natural CaF2

International Nuclear Information System (INIS)

Okuno, E.; Ferreira, M.M.; Cruz, M.T.; Watanabe, S.

1977-01-01

A new method to prepare TL dosimeters in solid discs form, by the application of cold press in a mixture of KCL and fluorite in powder form, is investigated. By this method, it is possible to obtain thousands of dosimeters without difficulty much more uniform than that obtained from monocrystal ingots. The results show that the new dosimeters present the same properties as the fluorite in powder form, with the advantage that it is easier to handle in routine work. The ratio of 2 to 1 for KCL mass to CaF 2 mass presents good Tl sensitivity to ionizing radiation and sufficient mechanical resistivity. The minimum detectable exposure is approximately 10 mR. 83% from 442 CaF 2 solid discs gave TL response within 10% of mean value. Energy dependence is also presented [pt

Interfacial chemical bonding state and band alignment of CaF2/hydrogen-terminated diamond heterojunction

International Nuclear Information System (INIS)

Liu, J. W.; Liao, M. Y.; Cheng, S. H.; Imura, M.; Koide, Y.

2013-01-01

CaF 2 films are deposited on hydrogen-terminated diamond (H-diamond) by a radio-frequency sputter-deposition technique at room temperature. Interfacial chemical bonding state and band alignment of CaF 2 /H-diamond heterojunction are investigated by X-ray photoelectron spectroscopy. It is confirmed that there are only C-Ca bonds at the CaF 2 /H-diamond heterointerface. Valence and conductance band offsets of the CaF 2 /H-diamond heterojunciton are determined to be 3.7 ± 0.2 and 0.3 ± 0.2 eV, respectively. It shows a type I straddling band configuration. The large valence band offset suggests advantage of the CaF 2 /H-diamond heterojunciton for the development of high power and high frequency field effect transistors.

Vibronic intensities for Er3+ in Cs2 NaErCl6

International Nuclear Information System (INIS)

Acevedo, R.; Navarro, G.; Meruane, T.

2001-01-01

In this current study, we have undertaken vibronic intensity calculations for the absorptions (( 4 I 15/2 ) Γ k ) → (( 4 I 13/2 ) Γ l ) of the Er 3+ in the Cs 2 NaErCl 6 elpasolite type system. This system is extremely complicated to handle from both a theoretical and an experimental viewpoints. This theoretical work shows that over an energy range of about 400 cm -1 , a substantial amount of transitions are likely to take place (about 100 transitions; twenty five of them are magnetic dipole allowed and seventy five are vibronically allowed). It is then a formidable task to identify and assign all of these transitions in a non-ambiguous way. Also the experimental evidence available for these absorptions is related to a total of about twenty lines in the luminescence spectrum of this system. The spectrum itself is very challenging and the superposition of spectral features is most likely to occur. A careful analysis of the calculated vibronic intensities and overall oscillator strengths for the various transitions indicates that the current model used is both flexible and appropriate to deal with this kind of systems. In a forthcoming paper, we will examine the rather unusual high intensity associated with the (( 4 I 15/2 ) Γ k ) → (( 4 S 3/2 ) Γ l ) excitations. (Author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2004-10-01

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

The large second-harmonic generation of LiCs{sub 2}PO{sub 4} is caused by the metal-cation-centered groups

Energy Technology Data Exchange (ETDEWEB)

Cheng, Xiyue; Guo, Guo-Cong; Hong, Maochun; Deng, Shuiquan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Whangbo, Myung-Hwan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou (China); Department of Chemistry, North Carolina State University, Raleigh, NC (United States)

2018-04-03

We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs{sub 2}PO{sub 4} (LCPO) by introducing the partial response functionals on the basis of first principles calculations. The SHG response of LCPO is dominated by the metal-cation-centered groups CsO{sub 6} and LiO{sub 4}, not by the nonmetal-cation-centered groups PO{sub 4} expected from the existing models and theories. The SHG coefficients of LCPO are determined mainly by the occupied orbitals O 2p and Cs 5p as well as by the unoccupied orbitals Cs 5d and Li 2p. For the SHG response of a material, the polarizable atomic orbitals of the occupied and the unoccupied states are both important. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

X-ray detection capability of a Cs2ZnCl4 single-crystal scintillator

International Nuclear Information System (INIS)

Yahaba, Natsuna; Koshimizu, Masanori; Sun, Yan; Asai, Keisuke; Yanagida, Takayuki; Fujimoto, Yutaka; Haruki, Rie; Nishikido, Fumihiko; Kishimoto, Shunji

2014-01-01

The X-ray detection capability of a scintillation detector equipped with a Cs 2 ZnCl 4 single crystal was evaluated. The scintillation decay kinetics can be expressed as the sum of two exponential decay components. The fast decay component had a decay time constant of 1.8 ns, and its relative intensity was 95%. The total light output was 630 photons/MeV, and a subnanosecond timing resolution of 0.66 ns was obtained. The detection efficiency of 67.4 keV X-rays was 80% for a detector equipped with a 2.2-mm-thick Cs 2 ZnCl 4 crystal. Thus, excellent timing resolution and high detection efficiency were achieved simultaneously. (author)

Determination of thermal properties of Cs2Cr2O7(s,l) by high temperature Calvet calorimetry

International Nuclear Information System (INIS)

Prasad, R.; Agarwal, R.; Roy, K.N.; Iyer, V.S.; Venugopal, V.; Sood, D.D.

1989-01-01

Enthalpy increments have been determined for caesium dichromate in the temperature range 335 to 826 K using a high temperature Calvet micro calorimeter. A solid-solid transition has been observed at (620.5±1.5 K) and the melting temperature was found to be (657.0±1.0) K. The corresponding enthalpy values are 15.6±0.2) kJ/mol and 17.0±0.22) kJ/mol. The results thus obtained are utilised for the evaluation of molar heat capacities, standard entropies and free energy functions for Cs 2 Cr 2 O 7 (s,l). The enthalpy increment values were fitted to a polynomial and can be presented by eqs. (1) to (3), respectivley: (1) (H T 0 -H 0 298.15 )(Cs 2 Cr 2 O 7 ,s) (J/mol)=-6.410x10 4 +1.939x10 2 T(K)+7.441x10 -2 T(K) 2 (335 to 620.5 K), (2) (H T 0 -H 0 298.15 )(Cs 2 Cr 2 O 7 ,s) (J/mol)=1.313x10 6 -4.137x10 3 T(K)+3.517T(K) 2 (620.5 to 656 K), (3) (H T 0 -H 0 298.15 )(Cs 2 Cr 2 O 7 ,l) (J/mol)=-1.218x10 5 +3.890x10 2 T(K) (657 to 826 K). (orig.)

The characteristics of CaF2:Tm crystals (TLD-300) irradiated by electromagnetic radiation

International Nuclear Information System (INIS)

Ben-Shachar, B.; Yona, S.; Laichter, Y.; German, U.; Weiser, G.

1985-09-01

The main characteristics of the CaF 2 :Tm crystals (TLD-300), as a dosimeter, were measured: the glow curve, sensitivity, linearity, fading and energy dependence for photons, and compared to those of LiF (TLD-100) and CaF 2 :Dy (TLD-200). It was found that CaF 2 :Tm can be used for environmental dosimetry by reading the crystals after four days. (Author)

Syntheses, crystal structure, and electronic properties of the five ABaMQ{sub 4} compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Mesbah, Adel [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); ICSM, UMR 5257 CEA / CNRS / UM / ENSCM, Site de Marcoule-Bâtiment 426, BP 17171, 30207 Bagnols-sur-Cèze Cedex (France); Prakash, Jai [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Rocca, Dario; Lebègue, Sébastien [Laboratoire de Cristallographie, Résonance Magnétique, et Modélisations CRM2 (UMR UHP-CNRS 7036), Faculté des Sciences et Techniques, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy Cedex (France); Beard, Jessica C.; Lewis, Benjamin A. [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States); Ibers, James A., E-mail: ibers@chem.northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113 (United States)

2016-01-15

Five new compounds belonging to the ABaMQ{sub 4} family were synthesized by solid-state chemistry at 1123 K. The compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} are isostructural and have the TlEuPS{sub 4} structure type. They crystallize in space group D{sup 16}{sub 2h} – Pnma of the orthorhombic system. Their structure consists isolated MQ{sub 4} tetrahedra separated by A and Ba atoms to form a salt-like structure. Density Functional Theory (DFT) calculations of the electronic structures with the use of the HSE functional suggest that the compounds are semiconductors with calculated band gaps of 3.3 eV (RbBaPS{sub 4}), 3.4 eV (CsBaPS{sub 4}), 2.3 eV (CsBaVS{sub 4}), and 1.6 eV (RbBaVSe{sub 4}). - Graphical abstract: General view of the ABaMQ{sub 4} structure down the a axis. - Highlights: • Five new ABaMQ{sub 4} compounds were synthesized by solid-state chemistry at 1123 K. • RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} have the TlEuPS{sub 4} structure type. • The compounds are semiconductors with calculated band gaps ranging from 1.6 to 3.4 eV.

Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Savina, A.A. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 670047 (Russian Federation); Department of Chemistry, Buryat State University, Ulan-Ude 670000 (Russian Federation); Atuchin, V.V., E-mail: atuchin@isp.nsc.ru [Laboratory of Optical Materials and Structures, Rzhanov Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Functional Electronics Laboratory, Tomsk State University, Tomsk 634050 (Russian Federation); Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Solodovnikov, S.F. [Laboratory of Crystal Chemistry, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Department of Natural Sciences, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Solodovnikova, Z.A. [Laboratory of Crystal Chemistry, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Krylov, A.S. [Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Maximovskiy, E.A. [Laboratory of Epitaxial Layers, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Laboratory of Research Methods of Composition and Structure of Functional Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Molokeev, M.S. [Laboratory of Crystal Structure, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Oreshonkov, A.S [Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Department of Photonics and Laser Technology, Siberian Federal University, Krasnoyarsk 660079 (Russian Federation); Pugachev, A.M. [Laboratory of Condenced Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation); and others

2015-05-15

New ternary molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is synthesized in the system Na{sub 2}MoO{sub 4}–Cs{sub 2}MoO{sub 4}–Bi{sub 2}(MoO{sub 4}){sub 3}. The structure of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å{sup 3}, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs{sub 2}NaBi(MoO{sub 4}){sub 3} up to the melting point at 826 K. The compound shows an SHG signal, I{sub 2w}/I{sub 2w}(SiO{sub 2})=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured. - Graphical abstract: - Highlights: • The crystal structure of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is defined. • The molybdate Cs{sub 2}NaBi(MoO{sub 4}){sub 3} is stable up to melting point at 826 K. • Vibrational properties of Cs{sub 2}NaBi(MoO{sub 4}){sub 3} are evaluated by Raman spectroscopy.

Band Structure Engineering of Cs2AgBiBr6 Perovskite through Order-Disordered Transition: A First-Principle Study.

Science.gov (United States)

Yang, Jingxiu; Zhang, Peng; Wei, Su-Huai

2018-01-04

Cs 2 AgBiBr 6 was proposed as one of the inorganic, stable, and nontoxic replacements of the methylammonium lead halides (CH 3 NH 3 PbI 3 , which is currently considered as one of the most promising light-harvesting material for solar cells). However, the wide indirect band gap of Cs 2 AgBiBr 6 suggests that its application in photovoltaics is limited. Using the first-principle calculation, we show that by controlling the ordering parameter at the mixed sublattice, the band gap of Cs 2 AgBiBr 6 can vary continuously from a wide indirect band gap of 1.93 eV for the fully ordered double-perovskite structure to a small pseudodirect band gap of 0.44 eV for the fully random alloy. Therefore, one can achieve better light absorption simply by controlling the growth temperature and thus the ordering parameters and band gaps. We also show that controlled doping in Cs 2 AgBiBr 6 can change the energy difference between ordered and disordered Cs 2 AgBiBr 6 , thus providing further control of the ordering parameters and the band gaps. Our study, therefore, provides a novel approach to carry out band structure engineering in the mixed perovskites for optoelectronic applications.

Self-dose and fading of CaSO4(Dy/Tm) and CaF2 (natural) TL phosphors in environmental radiation monitoring

International Nuclear Information System (INIS)

Nambi, K.S.V.

1982-01-01

A 'shielded storage experiment' for estimating both the 'self-dose' and 'fading' of TL phosphors under conditions akin to those faced in environmental monitoring applications is described. Using this method, self-dose rates of 0.32 +- 0.10(sigma) μ rad h -1 and 1.16 +- 0.02(sigma) μ rad h -1 have been obtained for CaF 2 (natural) and CaSO 4 (Dy) phosphors; the thermal decay constants at 25 0 C for these phosphors turn out to be 27 X 10 -6 h -6 ad 12 X 10 -6 h -1 , respectively. Estimation of the self-doses from radioactivity measurements of the phosphors concerned is also presented and the differences explained. A very high self-dose rate of 5.6 μ rad h -1 was estimated by the latter method for a sample of CaSO 4 (Tm) phosphor. (orig.)

Carbonate hydrates of the heavy alkali metals: preparation and structure of Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O; Carbonat-Hydrate der schweren Alkalimetalle: Darstellung und Struktur von Rb{sub 2}CO{sub 3} . 1,5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Cirpus, V.; Wittrock, J.; Adam, A. [Koeln Univ. (Germany). Inst. fuer Anorganische Chemie

2001-03-01

Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O and Cs{sub 2}CO{sub 3} . 3 H{sub 2}O were prepared from aqueous solution and by means of the reaction of dialkylcarbonates with RbOH and CsOH resp. in hydrous alcoholes. Based on four-circle diffractometer data, the crystal structures were determined (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O: C2/c (no. 15), Z = 8, a = 1237.7(2) pm, b = 1385.94(7) pm, c = 747.7(4) pm, {beta} = 120.133(8) , V{sub EZ} = 1109.3(6) . 10{sup 6} pm{sup 3}; Cs{sub 2}CO{sub 3} . 3 H{sub 2}O: P2/c (no. 13), Z = 2, a = 654.5(2) pm, b = 679.06(6) pm, c = 886.4(2) pm, {beta} = 90.708(14) , V{sub EZ} = 393.9(2) . 10{sup 6} pm{sup 3}). Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O is isostructural with K{sub 2}CO{sub 3} . 1.5 H{sub 2}O. In case of Cs{sub 2}CO{sub 3} . 3 H{sub 2}O no comparable structure is known. Both structures show {sub {infinity}}{sup 1}[(CO{sub 3}{sup 2-})(H{sub 2}O)]-chains, being connected via additional H{sub 2}O forming columns (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O) and layers (Cs{sub 2}CO{sub 3} . 3 H{sub 2}O), respectively. (orig.)

Interface reaction and wetting in the CaF2/Me systems

International Nuclear Information System (INIS)

Barzilai, S.; Aizenshtein, M.; Lomberg, M.; Froumin, N.; Frage, N.

2008-01-01

Wetting experiments using the sessile drop method were performed in the CaF 2 -Me systems (Me = Cu, Ge, Al, In and Ga). Liquid Cu, Ge, In and Ga, do not wet the CaF 2 substrate and contact angles are significantly higher than 90 deg. No condensed products were found at the metal/ceramic interface. In the CaF 2 /Al system, evidence of an interface interaction was detected and the contact angle is about 92 deg. It was established that the spreading behavior and the values of the apparent contact angle depend on the rate of evaporation of the molten metals, the rate of sublimation of the substrate and on the value of the work of adhesion at the interface. The experimental observations are well accounted for by a thermodynamic analysis of the ternary Ca-Me-F systems

Synthesis and crystal structure of hydrogen selenates K(HSeO4)(H2SeO4) and Cs(HSeO4)(H2SeO4)

International Nuclear Information System (INIS)

Troyanov, S.I.; Morozov, I.V.; Zakharov, M.A.; Kemnitz, E.

1999-01-01

Hydrogen selenates of the compositions K(HSeO 4 )(H 2 SeO 4 ) and Cs(HSeO 4 )(H 2 SeO 4 ) are synthesized by the reaction of alkali metal carbonates with an excess of the concentrated selenic acid. The X-ray diffraction study showed that both compounds are isostructural to the corresponding hydrogen sulfates. The difference in the systems of hydrogen bonding are caused by various combinations of the acceptor functions of the oxygen atoms in the HSeO 4 and H 2 SeO 4 groups

Observation of ultraslow stress release in silicon nitride films on CaF2

International Nuclear Information System (INIS)

Guo, Tianyi; Deen, M. Jamal; Xu, Changqing; Fang, Qiyin; Selvaganapathy, P. Ravi; Zhang, Haiying

2015-01-01

Silicon nitride thin films are deposited by plasma-enhanced chemical vapor deposition on (100) and (111) CaF 2 crystalline substrates. Delaminated wavy buckles formed during the release of internal compressive stress in the films and the stress releasing processes are observed macroscopically and microscopically. The stress release patterns start from the substrate edges and propagate to the center along defined directions aligned with the crystallographic orientations of the substrate. The stress releasing velocity of SiN x film on (111) CaF 2 is larger than that of SiN x film with the same thickness on (100) CaF 2 . The velocities of SiN x film on both (100) and (111) CaF 2 increase with the film thickness. The stress releasing process is initiated when the films are exposed to atmosphere, but it is not a chemical change from x-ray photoelectron spectroscopy

Geometry and electronic structure of an impurity-trapped exciton in the Cs2GeF6 crystal doped with U4+. The 5f17s1 manifold

International Nuclear Information System (INIS)

Ordejon, B.; Seijo, L.; Barandiaran, Z.

2007-01-01

Complete text of publication follows: Excitons trapped at impurity centres in highly ionic crystals were first described by McClure and Pedrini [Phys. Rev. B 32, 8465 (1985)] as excited states consisting of a bound electron-hole pair with the hole localized on the impurity and the electron on nearby lattice sites, and a very short impurity-ligand bond length. In this work we present a detailed microscopic characterization of an impurity - trapped exciton in Cs 2 GeF 6 doped with U 4+ . Its electronic structure has been studied by means of CASSCF/CASPT2/SOCI relativistic ab initio model potential (AIMP) embedded-cluster calculations on (UF 6 ) 2- and (UF 6 Cs 8 ) 6+ clusters embedded in Cs 2 GeF 6 . The local geometry of the impurity-trapped exciton, the potential energy curves, and the multi electronic wavefunctions, have been obtained as direct, non-empirical results of the methods. The calculated excited states appear to be significantly delocalized outside the UF 6 volume and their U-F bond length turns out to be very short, closer to that of a pentavalent uranium defect than to that of a tetravalent uranium defect. The wavefunctions of these excited states show a dominant U 5f 1 7s 1 configuration character. This result has never been anticipated by simpler models and reveals the unprecedented ability of diffuse orbitals of f-element impurities to act as electron traps in ionic crystals

Cs_7Sm_1_1[TeO_3]_1_2Cl_1_6 and Rb_7Nd_1_1[TeO_3]_1_2Br_1_6, the new tellurite halides of the tetragonal Rb_6LiNd_1_1[SeO_3]_1_2Cl_1_6 structure type

International Nuclear Information System (INIS)

Charkin, Dmitri O.; Black, Cameron; Downie, Lewis J.; Sklovsky, Dmitry E.; Berdonosov, Peter S.; Olenev, Andrei V.; Zhou, Wuzong; Lightfoot, Philip; Dolgikh, Valery A.

2015-01-01

Two new rare-earth – alkali – tellurium oxide halides were synthesized by a salt flux technique and characterized by single-crystal X-ray diffraction. The structures of the new compounds Cs_7Sm_1_1[TeO_3]_1_2Cl_1_6 (I) and Rb_7Nd_1_1[TeO_3]_1_2Br_1_6 (II) (both tetragonal, space group I4/mcm) correspond to the sequence of [MLn_1_1(TeO_3)_1_2] and [M_6X_1_6] layers and bear very strong similarities to those of known selenite analogs. We discuss the trends in similarities and differences in compositions and structural details between the Se and Te compounds; more members of the family are predicted. - Graphical abstract: Two new rare-earth – alkali – tellurium oxide halides were predicted and synthesized. - Highlights: • Two new rare-earth – alkali – tellurium oxide halides were synthesized. • They adopt slab structure of rare earth-tellurium-oxygen and CsCl-like slabs. • The Br-based CsCl-like slabs have been observed first in this layered family.

Solid solubility of MgO in the calcium silicates of portland clinker. The effect of CaF2

Directory of Open Access Journals (Sweden)

Puertas, F.

1992-03-01

Full Text Available The solid solubility of MgO in the calcium silicates of portland clinker has been determined by XRD and XDS. The influence that the presence of CaF2 has on said solubility has also been verified. The solid solution limit of MgO in C3S at 1275 ºC lies at about 1.0% wt, where the triclinic form II stabilizes. The presence of CaF2 does not alter the maximum value of the MgO solubilized in that silicate, although there does take place the stabilization of the triclinic polymorph II at lower MgO contents (between 0.3 - 0.6% wt. The maximum amount of solubilized MgO in βC2 at 1.050 ºC lies around 0.5% wt. This value does not change by the presence of CaF2.Se ha determinado por DRX y EDX la solubilidad sólida del MgO en los silicatos cálcicos del clínker portland. Se ha comprobado, así mismo la influencia que sobre dicha solubilidad tiene la presencia de CaF2. El límite de disolución sólida del MgO en el C3S a 1.275º C se sitúa alrededor del 1,0% en peso, estabilizándose la forma triclínica II. La presencia de CaF2 no altera el valor máximo de MgO solubilizado en este silicato, aunque si se produce la estabilización del polimorfo triclínico II a contenidos menores de MgO (entre 0,3 – 0,6% en peso. La cantidad máxima de MgO solubilizado en e/ βC2S a 1.050 ºC se sitúa en torno al 0,5% en peso. Este valor no se ve modificado por la presencia de CaF2.

Variable dimensionality and framework found in a series of quaternary zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·xH{sub 2}O (A = Na, Rb, and Cs; 0≤x≤1) and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min, E-mail: kmok@cau.ac.kr

2017-01-15

Five new alkali metal zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·xH{sub 2}O (A = Na, Rb, and Cs; 0≤x≤1) and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O have been synthesized by heating a mixture of ZnO, SeO{sub 2} and A{sub 2}CO{sub 3} (A = Na, Rb, and Cs), and characterized by X-ray diffraction (XRD) and spectroscopic analyses techniques. All of the reported materials revealed a rich structural chemistry with different frameworks and connection modes of Zn{sup 2+}. While Rb{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4} and Cs{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}·H{sub 2}O revealed three-dimensional frameworks consisting of isolated ZnO{sub 4} tetrahedra and SeO{sub 3} polyhedra, Na{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}, Cs{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}, and Cs{sub 2}Zn{sub 2}(SeO{sub 3}){sub 3}·2H{sub 2}O contained two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers. Specifically, whereas isolated ZnO{sub 4} tetrahedra and SeO{sub 3} polyhedra are arranged into two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers in two cesium compounds, circular [Zn{sub 3}O{sub 10}]{sup 14-} chains and SeO{sub 3} linkers are formed in two-dimensional [Zn{sub 3}(SeO{sub 3}){sub 4}]{sup 2-} layers in Na{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4}. Close structural examinations suggest that the size of alkali metal is significant in determining the framework geometry as well as connection modes of transition metal cations. - Graphical abstract: Variable dimensions and frameworks were found in a series of quaternary zinc selenites, A{sub 2}Zn{sub 3}(SeO{sub 3}){sub 4} (A = Na, Rb and Cs). - Highlights: • Five novel quaternary zinc selenites are synthesized. • All the selenites with different structures contain polarizable d{sup 10} and lone pair cations. • The size of alkali metal cations is significant in determining the framework geometry.

Continuously tunable cw lasing near 2.75 μm in diode-pumped Er3+ : SrF2 and Er3+ : CaF2 crystals

International Nuclear Information System (INIS)

Basiev, Tasoltan T; Orlovskii, Yu V; Polyachenkova, M V; Fedorov, Pavel P; Kuznetsov, S V; Konyushkin, V A; Osiko, Vyacheslav V; Alimov, Olimkhon K; Dergachev, Alexey Yu

2006-01-01

CW lasing is obtained in Er 3+ (5%) : CaF 2 and Er 3+ (5%) : SrF 2 crystals near 2.75 μm with 0.4 and 2 W of output powers, respectively, upon transverse diode laser pumping into the upper 4 I 11/2 laser level of erbium ions at 980 nm. Continuous tuning of the laser wavelength between 2720 and 2760 nm is realised in the Er 3+ : SrF 2 crystal. (special issue devoted to the 90th anniversary of a.m. prokhorov)

PBCDD/F formation from radical/radical cross-condensation of 2-Chlorophenoxy with 2-Bromophenoxy, 2,4-Dichlorophenoxy with 2,4-Dibromophenoxy, and 2,4,6-Trichlorophenoxy with 2,4,6-Tribromophenoxy

Energy Technology Data Exchange (ETDEWEB)

Shi, Xiangli [Environment Research Institute, Shandong University, Jinan 250100 (China); Yu, Wanni [Environment Research Institute, Shandong University, Jinan 250100 (China); College of Resources and Environment, Linyi University, Linyi 276000 (China); Xu, Fei [Environment Research Institute, Shandong University, Jinan 250100 (China); Zhang, Qingzhu, E-mail: zqz@sdu.edu.cn [Environment Research Institute, Shandong University, Jinan 250100 (China); Hu, Jingtian; Wang, Wenxing [Environment Research Institute, Shandong University, Jinan 250100 (China)

2015-09-15

Highlights: • We studied the formation of PBCDD/Fs from the reaction of three CPRs with BPRs. • The substitution pattern of halogenated phenols determines those of PBCDD/Fs. • The substitution of halogenated phenols influence the coupling of phenoxy radicals. • The rate constants of the crucial elementary steps were evaluated. - Abstract: Quantum chemical calculations were carried out to investigate the homogeneous gas-phase formation of mixed polybrominated/chlorinated dibenzo-p-dioxins/benzofurans (PBCDD/Fs) from the cross-condensation of 2-chlorophenoxy radical (2-CPR) with 2-bromophenoxy radical (2-BPR), 2,4-dichlorophenoxy radical (2,4-DCPR) with 2,4-dibromophenoxy radical (2,4-DBPR), and 2,4,6-trichlorophenoxy radical (2,4,6-TCPR) with 2,4,6-tribromophenoxy radical (2,4,6-TBPR). The geometrical parameters and vibrational frequencies were calculated at the MPWB1K/6-31+G(d,p) level, and single-point energy calculations were performed at the MPWB1K/6-311+G(3df,2p) level of theory. The rate constants of the crucial elementary reactions were evaluated by the canonical variational transition-state (CVT) theory with the small curvature tunneling (SCT) correction over a wide temperature range of 600–1200 K. Studies show that the substitution pattern of halogenated phenols not only determines the substitution pattern of the resulting PBCDD/Fs, but also has a significant influence on the formation mechanism of PBCDD/Fs, especially on the coupling of the halogenated phenoxy radicals.

Intermediate Temperature Fuel Cell Using CsH₂PO₄/ZrO₂-Based Composite Electrolytes

DEFF Research Database (Denmark)

Jensen, Annemette Hindhede; Li, Qingfeng; Christensen, Erik

2014-01-01

Proton conductors operating at intermediate temperatures are receiving significant attention due to their advantages over conventionally used materials in proton exchange membrane fuel cells. CsH2PO4 has proven to be proton conducting above 230°C, however within a narrow temperature range of the ...... to 280°C under low atmospheric humidification. Higher open circuit voltage and stability in the extended temperature range were achieved with composite electrolytes with a CsH2PO4 to ZrO2 molar ratio of 2....

Intrinsic Lead Ion Emissions in Zero-Dimensional Cs4PbBr6 Nanocrystals

KAUST Repository

Yin, Jun; Zhang, Yuhai; Bruno, Annalisa; Soci, Cesare; Bakr, Osman; Bredas, Jean-Luc; Mohammed, Omar F.

2017-01-01

-energy UV emission at approximately 350 nm to the allowed optical transition of 3P1 to 1S0 in Pb2+ ions and the low-energy UV emission at approximately 400 nm to the charge-transfer state involved in the 0D NC host lattice (D-state). In the emissive Cs4PbBr6

Reactivity of the Donor-Stabilized Silylenes [iPrNC(Ph)NiPr]2 Si and [iPrNC(NiPr2 )NiPr]2 Si: Activation of CO2 and CS2.

Science.gov (United States)

Mück, Felix M; Baus, Johannes A; Nutz, Marco; Burschka, Christian; Poater, Jordi; Bickelhaupt, F Matthias; Tacke, Reinhold

2015-11-09

Activation of CO2 by the bis(amidinato)silylene 1 and the analogous bis(guanidinato)silylene 2 leads to the structurally analogous six-coordinate silicon(IV) complexes 4 (previous work) and 8, respectively, the first silicon compounds with a chelating carbonato ligand. Likewise, CS2 activation by silylene 1 affords the analogous six-coordinate silicon(IV) complex 10, the first silicon compound with a chelating trithiocarbonato ligand. CS2 activation by silylene 2, however, yields the five-coordinate silicon(IV) complex 13 with a carbon-bound CS2 (2-) ligand, which also represents an unprecedented coordination mode in silicon coordination chemistry. Treatment of the dinuclear silicon(IV) complexes 5 and 6 with CO2 also affords the six-coordinate carbonatosilicon(IV) complexes 4 and 8, respectively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Infrared spectra of the ammonium ion in ammonium hexavanadate (NH 4) 2V 6O 16

Science.gov (United States)

de Waal, D.; Heyns, A. M.; Range, K.-J.; Eglmeier, C.

The infrared bands of the NH +4 and ND +4 groups in (NH 4) 2V 6O 16 and its deuterated analogue can be assigned with a fair amount of certainty at 90 K under the space group P2 1/ m( C22 h). The ND stretching modes of isotopically dilute NH 3D + ions in the crystal are in agreement with the predicted splitting into Cs, Cs and C1(2) components. The frequencies, shapes and temperature dependence of these modes suggest that both normal and bifurcated hydrogen bonds are formed. The latter closely resembles corresponding bonds in NH 4VO 3, but the normal hydrogen bonds are not as strong as the similar bonds in NH 4VO 3. This can be expected as NH +4 ions are dynamic in character in (NH 4) 2V 6O 16 and remain so down to temperatures of 90 K.

Hybridization of Single Nanocrystals of Cs4PbBr6 and CsPbBr3

OpenAIRE

Weerd, Chris de; Lin, Junhao; Gomez, Leyre; Fujiwara, Yasufumi; Suenaga, Kazutomo; Gregorkiewicz, Tom

2017-01-01

Nanocrystals of all-inorganic cesium lead halide perovskites (CsPbX3, X = Cl, Br, I) feature high absorption and efficient narrow-band emission which renders them promising for future generation of photovoltaic and optoelectronic devices. Colloidal ensembles of these nanocrystals can be conveniently prepared by chemical synthesis. However, in the case of CsPbBr3, its synthesis can also yield nanocrystals of Cs4PbBr6 and the properties of the two are easily confused. Here, we investigate in de...

First-principles investigations on the mechanical, thermal, electronic, and optical properties of the defect perovskites Cs2Sn X 6 ( X = Cl, Br, I)

International Nuclear Information System (INIS)

Huang Hai-Ming; Jiang Zhen-Yi; Luo Shi-Jun

2017-01-01

The mechanical properties, thermal properties, electronic structures, and optical properties of the defect perovskites Cs 2 Sn X 6 ( X = Cl, Br, I) were investigated by first-principles calculation using PBE and HSE06 hybrid functional. The optic band gaps based on HSE06 are 3.83 eV for Cs 2 SnCl 6 , 2.36 eV for Cs 2 SnBr 6 , and 0.92 eV for Cs 2 SnI 6 , which agree with the experimental results. The Cs 2 SnCl 6 , Cs 2 SnBr 6 , and Cs 2 SnI 6 are mechanically stable and they are all anisotropic and ductile in nature. Electronic structures calculations show that the conduction band consists mainly of hybridization between the halogen p orbitals and Sn 5s orbitals, whereas the valence band is composed of the halogen p orbitals. Optic properties indicate that these three compounds exhibit good optical absorption in the ultraviolet region, and the absorption spectra red shift with the increase in the number of halogen atoms. The defect perovskites are good candidates for probing the lead-free and high power conversion efficiency of solar cells. (paper)

The hydrogen dynamics of CsH5(PO4)2 studied by means of nuclear magnetic resonance

International Nuclear Information System (INIS)

Gradisek, A; Dimnik, B; Vrtnik, S; Dolinsek, J; Wencka, M; Zdanowska Fraczek, M; Lavrova, G V

2011-01-01

We have investigated the hydrogen dynamics of cesium pentahydrogen diphosphate, CsH 5 (PO 4 ) 2 , by means of nuclear magnetic resonance (NMR) spectroscopy, in order to address the question of why there is no superprotonic phase transition in this compound, in contrast to other structurally similar hydrogen-bonded ionic salts, where a superprotonic transition is frequently found to be present. The analysis of the NMR spectrum and the spin-lattice relaxation rate revealed that the temperature-dependent hydrogen dynamics of CsH 5 (PO 4 ) 2 involves motional processes (the intra-H-bond jumps and the inter-H-bond jumps at elevated temperatures, as a mechanism of the ionic conductivity) identical to those for the other H-bonded superprotonic salts. The considerably stronger H-bond network in CsH 5 (PO 4 ) 2 prompts the search for a higher superprotonic transition temperature. However, due to the relatively weak bonding between the {[H 2 PO 4 ]} ∞ planes in the [100] direction of the CsH 5 (PO 4 ) 2 structure by means of the ionic bonding via the cesium atoms and the small number of H bonds in that direction (where out of five H bonds in the unit cell, four are directed within the {[H 2 PO 4 ]} ∞ planes and only one is between the planes), the bonds between the planes become thermally broken and the crystal melts before the H-bond network rearranges via water release into an open structure typical of the superprotonic phase. Were the coupling between the {[H 2 PO 4 ]} ∞ planes in the CsH 5 (PO 4 ) 2 somewhat stronger, the superprotonic transition would occur in the same manner as it does in other structurally related hydrogen-bonded ionic salts.

Luminescent characteristic of the CsBr phosphor activated with Eu{sup 2+} and Mn{sup 2+} ions

Energy Technology Data Exchange (ETDEWEB)

Téllez-Flores, E., E-mail: bluedays8i@hotmail.com [Programa de Posgrado en Ciencias (Física), Departamento de Investigación en Física, Universidad de Sonora, Rosales y Blvd. Transversal S/N, 83000 Hermosillo, Son., México (Mexico); Aceves, R., E-mail: raceves@cifus.uson.mx [Centro de Investigación en Física, Universidad de Sonora, Apartado Postal 5-88, 83190 Hermosillo, Son., México (Mexico); Pérez-Salas, R., E-mail: rperez@cifus.uson.mx [Centro de Investigación en Física, Universidad de Sonora, Apartado Postal 5-88, 83190 Hermosillo, Son., México (Mexico); Camarillo, I., E-mail: as99@xanum.uam.mx [Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, Delegación Iztapalapa, C.P. 09340 México D.F. (Mexico); Caldiño, U., E-mail: cald@xanum.uam.mx [Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, Delegación Iztapalapa, C.P. 09340 México D.F. (Mexico)

2013-12-15

Spectra of excitation and emission were measured at RT and 15 K in crystals quenched (Q) of CsBr:Eu{sup 2+}, CsBr:Mn{sup 2+} and CsBr:Eu{sup 2+},Mn{sup 2+}. Emission bands at 444, 480, 520 and 570 nm with different relative intensities are generated in the samples after UV excitation. The blue band at 444 nm was ascribed with unknown clusters or aggregated centers (AC) of dipoles type Eu{sup 2+}–V{sub C}{sup −} and insulated dipole centers (IDC) like Eu{sup 2+}–O{sup 2−}. The bands at 480, 520 and 570 nm were assigned to Cs{sub 4}EuBr{sub 6} nanocrystals; AC containing MnBr{sub 4}{sup 2−} units in tetrahedral symmetry and another yet unidentified AC defect, respectively. In crystals of CsBr:Eu{sup 2+},Mn{sup 2+} the excitation and emission spectra taken at 15 K show no clear evidence of an energy transfer mechanism. Instead, the results suggest that the emission is produced by direct excitation of the ions of Eu{sup 2+} and Mn{sup 2+}. Accordingly, single- or double-doped CsBr crystals may contain the same type of defects, either AC and/or IDC. -- Highlights: • The PL consists of several overlapping bands in the entire visible region. • The emission bands were ascribed to dipoles, aggregated and nanocrystals of different nature. • No clear evidence of energy transfer, meaning Eu and Mn pairs are not formed. • The material shows potential characteristics for its use as LED to white emission.

Phase diagram of the CsH/sub 2/AsO/sub 4/-CsH /SUB 0. 1/ D /SUB 1. 9/ AsO/sub 4/ System

Energy Technology Data Exchange (ETDEWEB)

Rakhimov, K.; Karapetyan, F.S.; Kozhenkov, V.Y.; Polyakov, Y.A.; Zhigarnovskii, B.M.

1986-05-01

The authors determined the melting point of dueterated cesium hydrogen arsenate of composition CsH /SUB 0.1/ D /SUB 1.9/ AsO/sub 4/ melts. Specimens for investigation of the system were prepared by fusion of appropriate amounts of CsH/sub 2/AsO/sub 4/ and CsH /SUB 0.1/ D /SUB 1.9/ AsO/sub 4/ in sealed quartz ampuls. In addition, the unit-cell parameters of the phases of the specimens practically did not differ from the corresponding parameters of the starting products over the entire range of concentrations.

Unusual centrosymmetric structure of [M(18-crown-6)](+) (M = Rb, Cs and NH4) complexes stabilized in an environment of hexachloridoantimonate(V) anions.

Science.gov (United States)

Ponomarova, Vira V; Rusanova, Julia A; Rusanov, Eduard B; Domasevitch, Konstantin V

2015-10-01

In (1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium hexachloridoantimonate(V), [Rb(C12H24O6)][SbCl6], (1), and its isomorphous caesium {(1,4,7,10,13,16-hexaoxacyclooctadecane)caesium hexachloridoantimonate(V), [Cs(C12H24O6)][SbCl6]}, (2), and ammonium {ammonium hexachloridoantimonate(V)-1,4,7,10,13,16-hexaoxacyclooctadecane (1/1), (NH4)[SbCl6]·C12H24O6}, (3), analogues, the hexachloridoantimonate(V) anions and 18-crown-6 molecules reside across -3 axes passing through the Sb atoms and the centroids of the 18-crown-6 groups, both of which coincide with centres of inversion. The Rb(+) [in (1)], Cs(+) [in (2)] and NH4(+) [in (3)] cations are situated inside the cavity of the 18-crown-6 ring; they are situated on -3 axes and are equally disordered about centres of inversion, deviating from the centroid of the 18-crown-6 molecule by 0.4808 (13), 0.9344 (7) and 0.515 (8) Å, respectively. Interaction of the ammonium cation and the 18-crown-6 group is supported by three equivalent hydrogen bonds [N...O = 2.928 (3) Å and N-H...O = 162°]. The centrosymmetric structure of [Cs(18-crown-6)](+), with the large Cs(+) cation approaching the centre of the ligand cavity, is unprecedented and accompanied by unusually short Cs-O bonds [2.939 (2) and 3.091 (2) Å]. For all three compounds, the [M(18-crown-6)](+) cations and [SbCl6](-) anions afford linear stacks along the c axis, with the cationic complexes embedded between pairs of inversion-related anions.

Identification of α-Chloro-2,2',4,4',6,6'-Hexanitrobibenzyl as an Impurity in Hexanitrostilbene

Science.gov (United States)

Bellamy, A. J.

2010-01-01

The final intermediate in the Shipp synthesis of 2,2‧,4,4‧,6,6‧-hexanitrostilbene (HNS) from TNT, α-chloro-2,2‧,4,4‧,6,6‧-hexanitrobibenzyl, has been extracted and characterized by nuclear magnetic resonance (NMR) spectroscopy, chlorine elemental analysis, and high-performance liquid chromatography (HPLC). It has also been shown that digestion in NMP of HNS containing α-chlorohexanitrobibenzyl generates another chlorine-containing by-product, 2-chloro-2‧,4,4‧,6,6‧-pentanitrostilbene. This too has been characterized by NMR spectroscopy, chlorine elemental analysis, and HPLC.

Bandgap engineering of lead-free double perovskite Cs_2AgBiBr_6 through trivalent metal alloying

International Nuclear Information System (INIS)

Du, Ke-zhao; Mitzi, David B.; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa

2017-01-01

The double perovskite family, A_2M"IM"I"I"IX_6, is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH_3NH_3PbI_3. Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs_2AgBiBr_6 as host, band-gap engineering through alloying of In"I"I"I/Sb"I"I"I has been demonstrated in the current work. Cs_2Ag(Bi_1_-_xM_x)Br_6 (M=In, Sb) accommodates up to 75 % In"I"I"I with increased band gap, and up to 37.5 % Sb"I"I"I with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs_2Ag(Bi_0_._6_2_5Sb_0_._3_7_5)Br_6. Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Efficient continuous-wave, broadly tunable and passive Q-switching lasers based on a Tm3+:CaF2 crystal

Science.gov (United States)

Liu, Jingjing; Zhang, Cheng; Zu, Yuqian; Fan, Xiuwei; Liu, Jie; Guo, Xinsheng; Qian, Xiaobo; Su, Liangbi

2018-04-01

Laser operations in the continuous-wave as well as in the pulsed regime of a 4 at.% Tm3+:CaF2 crystal are reported. For the continuous-wave operation, a maximum average output power of 1.15 W was achieved, and the corresponding slope efficiency was more than 64%. A continuous tuning range of about 160 nm from 1877-2036 nm was achieved using a birefringent filter. Using Argentum nanorods as a saturable absorber, the significant pulsed operation of a passively Q-switched Tm3+:CaF2 laser was observed at 1935.4 nm for the first time, to the best of our knowledge. A maximum output power of 385 mW with 41.4 µJ pulse energy was obtained under an absorbed pump power of 2.04 W. The present results indicate that the Tm3+:CaF2 lasers could be promising laser sources to operate in the eye-safe spectral region.

Wetting induced by near-surface Ti-enrichment in the CaF2/In-Ti and CaF2/Cu-Ti systems

International Nuclear Information System (INIS)

Froumin, N.; Barzilai, S.; Aizenshtein, M.; Lomberg, M.; Frage, N.

2008-01-01

This paper is concerned with the wetting of CaF 2 by liquid Cu and In and with the effect of Ti additions to the melt. According to thermodynamic analysis and to the experimental observations, the significantly decreased contact angle following the addition of Ti to the molten metals is not due to the formation of interfacial fluoride phases, in contrast to previously reported results. Ab initio density functional calculations indicate that preferential Ti adsorption takes place at the near CaF 2 surface. It is suggested that the presence of a Ti-enriched liquid, adjacent to the substrate, gives rise, by means of heterogeneous nucleation, to the formation of a thin intermetallic compound layer that stands behind the experimentally observed enhanced wetting. The suggested wetting mechanism is supported by the notable correlation that has been observed between the temperature dependence of the contact angle and the temperature domains, associated with the presence of intermetallic compounds in both Me-Ti (Me = Cu, In) binary systems

Afterglow properties of CaF2:Tm nanoparticles and its potential application in photodynamic therapy

International Nuclear Information System (INIS)

Zahedifar, M.; Sadeghi, E.; Shanei, M.M.; Sazgarnia, A.; Mehrabi, M.

2016-01-01

CaF 2 :Tm nanoparticles (NPs) were synthesized by the hydrothermal method. Intense afterglow emission with long life time was found for the produced NPs, so its applicability in photodynamic therapy was investigated. Since the wavelength of the afterglow emission of the NPs fairly matches with the absorption band of the PpIX sensitizer, especially in the red region, the Cystein mediator was used to bond NPs with the PpIX sensitizer. The CaF 2 :Tm NPs conjugated with PpIX was exposed to X-ray and by using the Antracene as detector, the production of the singlet oxygen was verified. Therefore, the produced NPs are recommended as a source of energy that improves photodynamic therapy beyond its current limitations. - Highlights: • Intense afterglow emission found for the synthesized CaF 2 :Tm nanoparticles. • CaF 2 :Tm emission band fairly matched with PpIX sensitizer's absorption band. • CaF 2 :Tm conjugated with the sensitized is a good candidate for photodynamic therapy. • The application of nanoparticles in producing singlet oxygen was verified.

Bandgap Engineering of Lead-Free Double Perovskite Cs2 AgBiBr6 through Trivalent Metal Alloying.

Science.gov (United States)

Du, Ke-Zhao; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B

2017-07-03

The double perovskite family, A 2 M I M III X 6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3 . Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band-gap engineering through alloying of In III /Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1-x M x )Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375 )Br 6 . Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Postsynthesis Transformation of Insulating Cs4PbBr6 Nanocrystals into Bright Perovskite CsPbBr3 through Physical and Chemical Extraction of CsBr.

Science.gov (United States)

Palazon, Francisco; Urso, Carmine; De Trizio, Luca; Akkerman, Quinten; Marras, Sergio; Locardi, Federico; Nelli, Ilaria; Ferretti, Maurizio; Prato, Mirko; Manna, Liberato

2017-10-13

Perovskite-related Cs 4 PbBr 6 nanocrystals present a "zero-dimensional" crystalline structure where adjacent [PbBr 6 ] 4- octahedra do not share any corners. We show in this work that these nanocrystals can be converted into "three-dimensional" CsPbBr 3 perovskites by extraction of CsBr. This conversion drastically changes the optoelectronic properties of the nanocrystals that become highly photoluminescent. The extraction of CsBr can be achieved either by thermal annealing (physical approach) or by chemical reaction with Prussian Blue (chemical approach). The former approach can be simply carried out on a dried film without addition of any chemicals but does not yield a full transformation. Instead, reaction with Prussian Blue in solution achieves a full transformation into the perovskite phase. This transformation was also verified on the iodide counterpart (Cs 4 PbI 6 ).

Environmental sciences: general. 2. Water Adsorption/Absorption by CsOH Particles

International Nuclear Information System (INIS)

Riggs, C.A.; Ghosh, T.K.; Tompson, R.V.; Loyalka, S.K.; Viswanath, D.S.

2001-01-01

. Following regeneration, samples were cooled to a predetermined temperature by circulating water through a heat exchanger coil wrapped around the glass hang-down tube. Water vapor was introduced incrementally from a reservoir containing degassed-water. Temperature and mass change were monitored on strip chart recorders, with system pressure logged after each increment of the system pressure. The data were recorded once the system reached its equilibrium as indicated by the constant pressure and weight of the system. Water adsorption/absorption data on CsOH exhibited a significant departure from the Langmuir model. The data were Type III isotherms at low pressures, whereas they were step-like isotherms at the higher pressures (see Fig. 2). The isotherms in Fig. 2 indicate that a phase transformation of CsOH took place during the experimentation that was dependent on the relative pressure of water vapor. It appears that CsOH transformed from monohydrate to hexa-hydrate according to Eq. (2): CsOH.H 2 O (s) + 5H 2 O ↔ CsOH.6H 2 O (l) . (2) The isotherms obtained in this research could be used to predict the amount of water vapor absorbed/adsorbed by CsOH particles released during a reactor transient. Large CsOH wetted agglomerates would be available to rapidly react with radioactive iodine released according to Eq. (1). This would limit the amount of radioactive iodine available for off-site release. The water adsorption data could also be used for input of cesium chemical species data into computer codes used in the study of containment aerosols such as CONTAIN, MELCOR, and SCDAP/RELAP (Refs. 4, 5, and 6, respectively). This will help to improve calculation of the effect of various chemical species on the amount of radioactive iodine released off-site. (authors)

Sorption of Cs onto γ-Al2O3 using batch technique

International Nuclear Information System (INIS)

Wang Xiangke

2004-01-01

The sorption of Cs onto γ-Al 2 O 3 is studied by using batch technique, ultra-filtration method and UV vis spectrophotometer at room temperature, pH 4.0, 6.0 and 8.0, the ionic strength of NaClO 4 is from 0.001 mol/L to 0.1 mol/L. The concentration of humic acid in the solution is determined at wavelength of 254 nm. The sorption of humic acid on the γ-Al 2 O 3 is strong (≅98% HA is sorbed on the surface of alumina at pH zpc =9.2)) and strongly dependent on pH values. At pH>9.2, the sorption of HA is decreased markedly with the increasing of pH. Humic acid has a little negative effect on the sorption of Cs onto alumina, this may be attributed to the formation of HA-Cs complexation in the solution. The sorption of Cs onto γ-Al 2 O 3 is weakly dependent on the pH and independent on the ionic strength. Freundlich isotherm can fit the sorption isotherms very well. The sorption of Cs onto γ-Al 2 O 3 may be contributed to cation exchange and surface complexation mechanisms. (authors)

Crystallization and sintering characteristics of CaO-Al2O3-SiO2 glasses in the presence of TiO2, CaF2 and ZrO2

International Nuclear Information System (INIS)

Banijamali, S.; Eftekhari Yekta, B.; Rezaie, H.R.; Marghussian, V.K.

2009-01-01

In this study, the effects of different amounts of TiO 2 , ZrO 2 and CaF 2 nucleating agents on sinterability, crystallization, mechanical properties and chemical resistance of glass-ceramics belonging to the CaO-Al 2 O 3 -SiO 2 system were investigated, using differential thermal analysis (DTA), X-ray diffractometry (XRD), scanning electron microscopy (SEM), mechanical and chemical resistance measurements. It was found that in CaF 2 containing samples, the sinterability, crystallization and mechanical properties were improved by increasing of CaF 2 amount. However, addition of ZrO 2 and TiO 2 increases the firing temperature required for complete densification of specimens. Our experiments showed that fluctuations of chemical composition of the residual glass phases during sintering were responsible for these dissimilar trends and greatly influenced mechanical and chemical properties. According to the obtained results, appropriate sinterability, acceptable mechanical and chemical properties, as well as desirable whiteness of the most promising specimens make them suitable choices for floor tile applications. The main crystallization phases in all fully sintered glass-ceramics were wollastonite, anorthite and calcium aluminum silicate.

Spectral intensities for stoichiometric elpasolites. I. Absorption and emission of Tm+3 in systems of the Cs2NaTmZ6 type

International Nuclear Information System (INIS)

Acevedo, R; Poblete, V; Pozo, J; Elgueta, R; Tanner, P.A

2000-01-01

Based upon new experimental data for systems such as, Cs 2 NaTmZ 6 , where Z - =Cl - , F - [1-4], we have carried out a thorough study of the mechanistic factors related with the spectral intensities for both the absorptions and the emissions of the Cs 2 NaTmZ 6 system. For the above purposes, we have generalized our previous calculation models, and in this article we show novel results for the emissions 3 H 4 (Γ i )→ 3 F 4 (Γ j ) and for the absorptions 3 H 6 (A 1 )→ 3 F 4 (Γ i ), 1 G 4 (Γ i ), 3 H 5 (Γ i ), with Γ-k(k=i,j)=A 1 ,E,T 1 ,T 2 and Γ 1 =T a 1 , T b 1 , E, T 2 . The effects due to dispersion (essentially, electrostatic in character), details of the short range vibrational force field and Jahn-Teller distortion are discussed in the text. The agreement among experiment and theory is satisfactory and a generalized model with a few number of adjustable parameters is introduced to account for the observed spectral intensities

Observation and investigation of narrow optical transitions of 167Er3+ ions in femtosecond laser printed waveguides in 7LiYF4 crystal

Science.gov (United States)

Minnegaliev, M. M.; Dyakonov, I. V.; Gerasimov, K. I.; Kalinkin, A. A.; Kulik, S. P.; Moiseev, S. A.; Saygin, M. Yu; Urmancheev, R. V.

2018-04-01

We produced optical waveguides in the 167Er3+:7 LiYF4 crystal with diameters ranging from 30 to 100 μm by using the depressed-cladding approach with femtosecond laser. Stationary and coherent spectroscopy was performed on the 809 nm optical transitions between the hyperfine sublevels of 4I15/2 and 4I9/2 multiplets of 167Er3+ ions both inside and outside of waveguides. It was found that the spectra of 167Er3+ were slightly broadened and shifted inside the waveguides compared to the bulk crystal spectra. We managed to observe a two-pulse photon echo on this transition and determined phase relaxation times for each waveguide. The experimental results show that the created crystal waveguides doped by rare-earth ions can be used in optical quantum memory and integrated quantum schemes.

Electronic and electrochemical properties of platinum(II) and platinum-mercury-carboxylato complexes containing 2-Me2NCH2C6H4, 2,6-(Me2NCH2)2C6H3- and 2-Me2NC6H4CH2 - ligands

NARCIS (Netherlands)

Koten, G. van; Ploeg, A.F.M.J. van der; Schmitz, J.E.J.; Linden, J.G.M. van der

1982-01-01

The organoplatinum(II) compounds [{2, 6-(Me{2}NCH{2}){2}C{6}H{3}}PtBr] and cis-[(C-N){2}Pt] (C-N = 2-Me{2}NCH{2}C{6}H{4}, 2-Me{2}NC{6}H{4}CH{2}) can be chemically irreversibly oxidized in the potential range 1.00 to 1.35 V vs. an Ag/AgCl electrode, whereas the organoplatinum@?mercury complexes

N,N-Diethylanilinium 2,4-dioxo-5-(2,4,6-trinitrophenyl-1,2,3,4-tetrahydropyrimidin-6-olate

Directory of Open Access Journals (Sweden)

Manickam Buvaneswari

2011-12-01

Full Text Available In the crystal structure of the title molecular salt, C10H16N+·C10H4N5O9−, the components are linked through a N—H...O hydrogen bonds. R22(8 ring motifs are formed between inversion-related barbiturate residues. Two intramoleculer N—H...O hydrogen bonds are observed in the anion. The dihedral angle between 2,4,6-trinitrophenyl and barbiturate rings is 53.6 (2°. The N,N-diethylamine substituent is disordered and was modeled as two geometrically equivalent conformers with occupancies of 0.737 (2 and 0.273 (2.

Structural and thermodynamic study of dicesium molybdate Cs2Mo2O7: Implications for fast neutron reactors

Science.gov (United States)

Smith, A. L.; Kauric, G.; van Eijck, L.; Goubitz, K.; Wallez, G.; Griveau, J.-C.; Colineau, E.; Clavier, N.; Konings, R. J. M.

2017-09-01

The structure of α-Cs2Mo2O7 (monoclinic in space group P21 / c), which can form during irradiation in fast breeder reactors in the space between nuclear fuel and cladding, has been refined in this work at room temperature from neutron diffraction data. Furthermore, the compounds' thermal expansion and polymorphism have been investigated using high temperature X-ray diffraction combined with high temperature Raman spectroscopy. A phase transition has been observed at Ttr(α → β)=(621.9±0.8) K using Differential Scanning Calorimetry, and the structure of the β-Cs2Mo2O7 phase, orthorhombic in space group Pbcm, has been solved ab initio from the high temperature X-ray diffraction data. Furthermore, the low temperature heat capacity of α-Cs2Mo2O7 has been measured in the temperature range T=(1.9-313.2) K using a Quantum Design PPMS (Physical Property Measurement System) calorimeter. The heat capacity and entropy values at T=298.15 K have been derived as Cp,mo (Cs2Mo2O7 , cr , 298.15 K) = (211.9 ± 2.1) J K-1mol-1 and Smo (Cs2Mo2O7 , cr , 298.15 K) = (317.4 ± 4.3) J K-1mol-1 . When combined with the enthalpy of formation reported in the literature, these data yield standard entropy and Gibbs energy of formation as Δf Smo (Cs2Mo2O7 , cr , 298.15 K) = - (628.2 ± 4.4) J K-1mol-1 and Δf Gmo (Cs2Mo2O7 , cr , 298.15 K) = - (2115.1 ± 2.5) kJmol-1 . Finally, the cesium partial pressure expected in the gap between fuel and cladding following the disproportionation reaction 2Cs2MoO4=Cs2Mo2O7+2Cs(g)+ 1/2 O2(g) has been calculated from the newly determined thermodynamic functions.

Solution-Grown CsPbBr3 /Cs4 PbBr6 Perovskite Nanocomposites: Toward Temperature-Insensitive Optical Gain.

Science.gov (United States)

Wang, Yue; Yu, Dejian; Wang, Zeng; Li, Xiaoming; Chen, Xiaoxuan; Nalla, Venkatram; Zeng, Haibo; Sun, Handong

2017-09-01

With regards to developing miniaturized coherent light sources, the temperature-insensitivity in gain spectrum and threshold is highly desirable. Quantum dots (QDs) are predicted to possess a temperature-insensitive threshold by virtue of the separated electronic states; however, it is never observed in colloidal QDs due to the poor thermal stability. Besides, for the classical II-VI QDs, the gain profile generally redshifts with increasing temperature, plaguing the device chromaticity. Herein, this paper addresses the above two issues simultaneously by embedding ligands-free CsPbBr 3 nanocrystals in a wider band gap Cs 4 PbBr 6 matrix by solution-phase synthesis. The unique electronic structures of CsPbBr 3 nanocrystals enable temperature-insensitive gain spectrum while the lack of ligands and protection from Cs 4 PbBr 6 matrix ensure the thermal stability and high temperature operation. Specifically, a color drift-free stimulated emission irrespective of temperature change (20-150 °C) upon two-photon pumping is presented and the characteristic temperature is determined to be as high as ≈260 K. The superior gain properties of the CsPbBr 3 /Cs 4 PbBr 6 perovskite nanocomposites are directly validated by a vertical cavity surface emitting laser operating at temperature as high as 100 °C. The results shed light on manipulating optical gain from the advantageous CsPbBr 3 nanocrystals and represent a significant step toward the temperature-insensitive frequency-upconverted lasers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Syntheses and crystal structures of two novel alkaline uranyl chromates A2(UO2)(CrO4)2 (A=Rb, Cs) with bidentate coordination mode of uranyl ions by chromate anions

International Nuclear Information System (INIS)

Siidra, Oleg I.; Nazarchuk, Evgeny V.; Krivovichev, Sergey V.

2012-01-01

Single crystals of Cs 2 (UO 2 )(CrO 4 ) 2 and Rb 2 (UO 2 )(CrO 4 ) 2 were prepared by solid state reactions. The structures are based upon the [(UO 2 )(CrO 4 ) 2 ] 2− chains. Within the chains, UrO 5 pentagonal bipyramids (Ur=uranyl) form Ur 2 O 8 dimers, which are linked via CrO 4 tetrahedra into one-dimensional chains. The CrO 4 tetrahedra coordinate uranyl ions in both mono- and bidentate fashion, which is unusual for uranyl chromates. The bidentate coordination has a strong influence upon geometrical parameters of both U and Cr coordination polyhedra. The conformation of the chains in 1 and 2 is different due to the different size of the Cs + and Rb + cations. - Graphical abstract: Uranyl chromate chain with monodentate and bidentate coordination mode of uranyl cations by CrO 4 tetrahedra in Cs 2 (UO 2 )(CrO 4 ) 2 . Highlights: ► Single crystals of novel uranyl chromates were prepared by solid state reactions. ► The CrO 4 tetrahedra coordinate uranyl ions in both mono- and bidentate fashion. ►The bidentate coordination has a strong influence upon geometrical parameters.

Thermo-analytical investigations on the superoxides AO{sub 2} (A = K, Rb, Cs), revealing facile access to sesquioxides A{sub 4}O{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Merz, Patrick; Schmidt, Marcus; Felser, Claudia [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Jansen, Martin [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

2017-04-18

Rb{sub 4}O{sub 6} and Cs{sub 4}O{sub 6} represent open shell p electron systems, featuring charge, spin, orbital and structural degrees of freedom, which makes them unique candidates for studying the ordering processes related, otherwise exclusively encountered in transition metal based materials. Probing the physical responses has been restrained by the intricacy of synthesizing appropriate amounts of phase pure samples. Tracing the thermal decomposition of respective superoxides has revealed that at least the rubidium and cesium sesquioxides exist in thermodynamic equilibrium, appropriate p-T conditions given. These insights have paved the way to highly efficient and convenient access to Rb{sub 4}O{sub 6} and Cs{sub 4}O{sub 6}. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Cucumber Metallothionein-Like 2 (CsMTL2 Exhibits Metal-Binding Properties

Directory of Open Access Journals (Sweden)

Yu Pan

2016-11-01

Full Text Available We identified a novel member of the metallothionein (MT family, Cucumis sativus metallothionein-like 2 (CsMTL2, by screening a young cucumber fruit complementary DNA (cDNA library. The CsMTL2 encodes a putative 77-amino acid Class II MT protein that contains two cysteine (Cys-rich domains separated by a Cys-free spacer region. We found that CsMTL2 expression was regulated by metal stress and was specifically induced by Cd2+ treatment. We investigated the metal-binding characteristics of CsMTL2 and its possible role in the homeostasis and/or detoxification of metals by heterologous overexpression in Escherichia coli cells. Furthermore, we produced a deletion mutant form of the protein, CsMTL2m, that contained the two Cys-rich clusters but lacked the spacer region, in E. coli. We compared the metal-binding properties of CsMTL2 with those of CsMTL2m, the β domain of human metallothionein-like protein 1 (HsMTXb, and phytochelatin-like (PCL heterologously expressed in E. coli using metal-binding assays. We found that E. coli cells expressing CsMTL2 accumulated the highest levels of Zn2+ and Cd2+ of the four transformed cell types, with levels being significantly higher than those of control cells containing empty vector. E. coli cells expressing CsMTL2 had a higher tolerance for cadmium than for zinc ions. These findings show that CsMTL2 improves metal tolerance when heterologously expressed in E. coli. Future studies should examine whether CsMTL2 improves metal tolerance in planta.

Molecular CsF{sub 5} and CsF{sub 2}{sup +}

Energy Technology Data Exchange (ETDEWEB)

Rogachev, Andrey Yu. [Illinois Institute of Technology, IL (United States). Dept. of Biological and Chemical Sciences; Miao, Mao-sheng [California State Univ., Northridge, CA (United States). Dept. of Chemistry and Biochemistry; Beijing Computational Science Research Center (China); Merino, Gabriel [Centro de Investigacion y de Estudios Avanzados, Unidad Merida (Mexico). Dept. de Fisica Aplicada; Hoffmann, Roald [Cornell Univ., Ithaca, NY (United States). Dept. of Chemistry and Chemical Biology

2015-07-06

D{sub 5h} star-like CsF{sub 5}, formally isoelectronic with known XeF{sub 5}{sup -} ion, is computed to be a local minimum on the potential energy surface of CsF{sub 5}, surrounded by reasonably large activation energies for its exothermic decomposition to CsF + 2F{sub 2}, or to CsF{sub 3} (three isomeric forms) + F{sub 2}, or for rearrangement to a significantly more stable isomer, a classical Cs{sup +} complex of F{sub 5}{sup -}. Similarly the CsF{sub 2}{sup +} ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.

Sr2+ and Cs+ ion exchange properties of KLn(PO3)4: Ln = Ce and Eu

International Nuclear Information System (INIS)

Samatha, B.; Achary, S.N.; Tyagi, A.K.; Ramkumar, Jayshree; Chandramouleeswaran, S.

2014-01-01

With the aim to study the potential of layered phosphates as ion exchangers two stoichiometric compositions as KLn(PO 3 ) 4 with Ln = Ce and Eu were prepared by solid state reaction and characterized by powder X-ray diffraction method. The Cs + and Sr 2+ exchange properties of both materials were investigated using standard solutions of Sr 2 + or Cs + in low acidic aqueous medium

Evaluation of the kinetic parameters of CaF2:Tm (TLD-300) thermoluminescence dosemeters

International Nuclear Information System (INIS)

Azorin, Juan; Gutierrez, Alicia; Furetta, Claudio

1989-01-01

The kinetic parameters of the first, third and fifth peaks of CaF 2 :Tm (TLD-300) dosemeters were determined experimentally using methods based on initial rise, peak shape, different heating rates, isothermal decay and numerical fitting method and a comparison was made between the results obtained. The average activation energy values determined by the methods used here were 0.72, 1.16 and 1.77 eV, with mean values for the frequency factor of 2.58 x 10 8 , 2.89 x 10 13 and 6.16 x 10 16 s -1 for the first, third and fifth peaks respectively. The values of activation energy obtained for each peak using the different methods covered a spread of about 4%. However, the spread for each of the frequency factors was very high. (author)

Molten salt flux synthesis and crystal structure of a new open-framework uranyl phosphate Cs{sub 3}(UO{sub 2}){sub 2}(PO{sub 4})O{sub 2}: Spectroscopic characterization and cationic mobility studies

Energy Technology Data Exchange (ETDEWEB)

Yagoubi, S., E-mail: said.yagoubi@cea.fr [LEEL SIS2M UMR 3299 CEA-CNRS-Université Paris-Sud 11, CEA Saclay, F-91191 Gif-Sur-Yvette (France); Renard, C.; Abraham, F. [Unité de Catalyse et de Chimie du Solide, UCCS UMR CNRS 8181, ENSCL-USTL, B.P. 90108, 59652 Villeneuve d’Ascq Cedex (France); Obbade, S. [Laboratoire d’Electrochimie et de Physicochimie des Matériaux et des Interfaces, LEPMI, UMR 5279, CNRS-Grenoble INP-UdS-UJF, 1130 Rue de la Piscine, BP75, 38402 Saint-Martin d’Hères (France)

2013-04-15

The reaction of triuranyl diphosphate tetrahydrate precursor (UO{sub 2}){sub 3}(PO{sub 4}){sub 2}(H{sub 2}O){sub 4} with a CsI flux at 750 °C yields a yellow single crystals of new compound Cs{sub 3}(UO{sub 2}){sub 2}(PO{sub 4})O{sub 2}. The crystal structure (monoclinic, space group C2/c, a=13.6261 (13) Å, b=8.1081(8) Å, c=12.3983(12) Å, β=114.61(12)°, V=1245.41(20) Å{sup 3} with Z=4) has been solved using direct methods and Fourier difference techniques. A full-matrix least-squares refinement on the basis of F{sup 2} yielded R1=0.028 and wR2=0.071 for 79 parameters and 1352 independent reflections with I≥2σ(I) collected on a BRUKER AXS diffractometer with MoKα radiation and a charge-coupled device detector. The crystal structure is built by two independent uranium atoms in square bipyramidal coordination, connected by two opposite corners to form infinite chains {sup 1}{sub ∞}[UO{sub 5}] and by one phosphorus atom in a tetrahedral environment PO{sub 4}. The two last entities {sup 1}{sub ∞}[UO{sub 5}] and PO{sub 4} are linked by sharing corners to form a three-dimensional structure presenting different types of channels occupied by Cs{sup +} alkaline cations. Their mobility within the tunnels were studied between 280 and 800 °C and compared with other tunneled uranyl minerals. The infrared spectrum shows a good agreement with the values inferred from the single crystal structure analysis of uranyl phosphate compound. - Graphical abstract: Arrhenius plot of the electrical conductivity of tunneled compounds Cs{sub 3}U{sub 2}PO{sub 10} and CsU{sub 2}Nb{sub 2}O{sub 11.5}. Highlights: ► The reaction of (UO{sub 2}){sub 3}(PO{sub 4}){sub 2}(H{sub 2}O){sub 4} in excess of molten CsI leads to single-crystals of new tunneled compound Cs{sub 3}(UO{sub 2}){sub 2}(PO{sub 4})O{sub 2}. ► Ionic conductivity measurements and crystal structure analysis indicate a strong connection of the Cs{sup +} cations to the tunnels. ► A low symmetry in Cs{sub 3}(UO{sub 2

Energy spectrum of CsDy(MoO/sub 4/)/sub 2/ in the vicinity of the structural phase transition

Energy Technology Data Exchange (ETDEWEB)

Khats' ko, E N; Chernyj, A S [AN Ukrainskoj SSR, Kharkov. Fiziko-Tekhnicheskij Inst. Nizkikh Temperatur

1981-08-01

The magnetic susceptibilities of CsDy(MoO/sub 4/)/sub 2/ and CsDy(MoO/sub 4/)/sub 2/+10%Eu/sup 3 +/ were measured in the temperature range 4 to 70 K and the frequency range 200 Hz to 20 MHz. The observed spin-lattice relaxation of the Dy/sup 3 +/ ion is found to be exponential with the relaxation time as a function of temperature tau/sup -1/=A exp (-..delta../kT) with ..delta..=105+-20 and 250+-40 cm/sup -1/ for CsDy(MoO/sub 4/)/sub 2/ in ranges 10-20 K and 20-38 K, respectively, and ..delta..=22.4+-5 cm for C=sDy(MoO/sub 4/)/sub 2/+10%Eu/sup 3 +/. The energies ..delta..105+-20 and 250 -40cm/sup -1/ are suggested to correspond to the first and second excited levels of Dy/sup 3 +/ in the low temperature phase of CsDy(MoO/sub 4/)/sub 2/, and ..delta..=22.4+-5 cm/sup -1/ to the first excited level of Dy/sup 3 +/ in the high temperature phase of the compound.

Pure zero-dimensional Cs4PbBr6 single crystal rhombohedral microdisks with high luminescence and stability.

Science.gov (United States)

Zhang, Haihua; Liao, Qing; Wu, Yishi; Chen, Jianwei; Gao, Qinggang; Fu, Hongbing

2017-11-08

Zero-dimensional (0D) perovskite Cs 4 PbBr 6 has been speculated to be an efficient solid-state emitter, exhibiting strong luminescense on achieving quantum confinement. Although several groups have reported strong green luminescence from Cs 4 PbBr 6 powders and nanocrystals, doubts that the origin of luminescence comes from Cs 4 PbBr 6 itself or CsPbBr 3 impurities have been a point of controversy in recent investigations. Herein, we developed a facile one-step solution self-assembly method to synthesize pure zero-dimensional rhombohedral Cs 4 PbBr 6 micro-disks (MDs) with a high PLQY of 52% ± 5% and photoluminescence full-width at half maximum (FWHM) of 16.8 nm. The obtained rhombohedral MDs were high quality single-crystalline as demonstrated by XRD and SAED patterns. We demonstrated that Cs 4 PbBr 6 MDs and CsPbBr 3 MDs were phase-separated from each other and the strong green emission comes from Cs 4 PbBr 6 . Power and temperature dependence spectra evidenced that the observed strong green luminescence of pure Cs 4 PbBr 6 MDs originated from direct exciton recombination in the isolated octahedra with a large binding energy of 303.9 meV. Significantly, isolated PbBr 6 4- octahedra separated by a Cs + ion insert in the crystal lattice is beneficial to maintaining the structural stability, depicting superior thermal and anion exchange stability. Our study provides an efficient approach to obtain high quality single-crystalline Cs 4 PbBr 6 MDs with highly efficient luminescence and stability for further optoelectronic applications.

Coprecipitation of 137Cs and 85Sr microquantities with complex compound [M(18-crown-6)]BPH4 (M=Na+, Cs+) from neutral and alkaline solutions

International Nuclear Information System (INIS)

Konovalova, N.A.; Rumer, I.A.; Kulyukhin, S.A.

2009-01-01

The paper reports the possibility of joint separation of 137 Cs and 85 Sr from neutral and alkaline aqueous solutions by their coprecipitation with the solid phase of complex compounds [M(18-crown-6)]BPh 4 (M=Na + , Cs + ), as well as to study the coprecipitation of 137 Cs and 85 Sr with the solid phase CsBPh 4 . It is found that complex compounds [M(18-crown-6)]BPh 4 (M=Na + , Cs + ) increased the degree of 85 Sr separation from solutions virtually two- to threefold vs. CsBPh 4 . Chloride and nitrate were found to have hardly any impact on the coprecipitation of 137 Cs and 85 Sr with [M(18-crown-6)]BPh 4 (M = Na + , Cs + ). (orig.)

Zero-Dimensional Cs4PbBr6 Perovskite Nanocrystals

KAUST Repository

Zhang, Yuhai; Saidaminov, Makhsud I.; Dursun, Ibrahim; Yang, Haoze; Banavoth, Murali; Alarousu, Erkki; Yengel, Emre; Alshankiti, Buthainah; Bakr, Osman; Mohammed, Omar F.

2017-01-01

class of materials remains elusive. Here we report the synthesis of a new class of colloidal semiconductor NCs based on Cs4PbBr6, the 0-D perovskite, enabled through the design of a novel low-temperature reverse microemulsion method with 85% reaction

The crystal structure of Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Winkler, Verena; Schlosser, Marc; Pfitzner, Arno [Regensburg Univ. (Germany). Inst. fuer Anorganische Chemie

2016-08-01

A reinvestigation of the alkali metal thiosulfates has led to the new phase Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O. At first cesium thiosulfate monohydrate was obtained as a byproduct of the synthesis of Cs{sub 4}In{sub 2}S{sub 5}. Further investigations were carried out using the traditional synthesis reported by J. Meyer and H. Eggeling. Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O crystallizes in transparent, colorless needles. The crystal structure of the title compound was determined by single crystal X-ray diffraction at room temperature: space group C2/m (No. 12), unit cell dimensions: a = 11.229(4), b = 5.851(2), c = 11.260(5) Aa, β = 95.89(2) , with Z = 4 and a cell volume of V = 735.9(5) Aa{sup 3}. The positions of all atoms including the hydrogen atoms were located in the structure refinement. Cs{sub 2}S{sub 2}O{sub 3}.H{sub 2}O is isotypic with Rb{sub 2}S{sub 2}O{sub 3}.H{sub 2}O. Isolated tetrahedra [S{sub 2}O{sub 3}]{sup 2-} are coordinated by the alkali metal cations, and in addition they serve as acceptors for hydrogen bonding. For both Cs atoms the shortest distances are observed to oxygen atoms of the S{sub 2}O{sub 3}{sup 2-} anions whereas the terminating sulfur atom has its shortest contacts to the water hydrogen atoms. Thus, an extended hydrogen bonding network is formed. The title compound has also been characterized by IR spectroscopy. IR spectroscopy reveals the vibrational bands of the water molecules at 3385 cm{sup -1}. They show a red shift in the OH stretching and bending modes as compared to free water. This is due both to the S..H hydrogen bonding and to the coordination of H{sub 2}O molecules to the cesium atoms.

Electronic structure and optical properties of Cs2HgCl4: DFT calculations and X-ray photoelectron spectroscopy measurements

Science.gov (United States)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

2016-10-01

A high-quality single crystal of cesium mercury tetrabromide, Cs2HgCl4, was synthesized by using the vertical Bridgman-Stockbarger method and its electronic structure was studied from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectra were measured for both pristine and Ar+ ion-bombarded Cs2HgCl4 single crystal surfaces. The present XPS measurements indicate that the Cs2HgCl4 single crystal surface is sensitive with respect to Ar+ ion-bombardment: such a treatment changes substantially its elemental stoichiometry. With the aim of exploring total and partial densities of states within the valence band and conduction band regions of the Cs2HgCl4 compound, band-structure calculations based on density functional theory (DFT) using the augmented plane wave + local orbitals (APW + lo) method as incorporated within the WIEN2k package are performed. The calculations indicate that the Cl 3p states are the principal contributors in the upper portion of the valence band, while the Hg 5d and Cs 5p states dominate in its lower portion. In addition, the calculations allow for concluding that the unoccupied Cl p and Hg s states are the main contributors to the bottom of the conduction band. Furthermore, main optical characteristics of Cs2HgCl4, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity, are elucidated based on the DFT calculations.

Hydrolysis of molten CaCl2-CaF2 with additions of CaO

Directory of Open Access Journals (Sweden)

Espen Olsen

2017-10-01

Full Text Available Calcium halide based molten salts have recently attracted interest for a number of applications such as direct reduction of oxides for metal production and as liquefying agent in cyclic sorption processes for CO2 by CaO from dilute flue gases (Ca-looping. A fundamental aspect of these melts is the possible hydrolysis reaction upon exposure to gaseous H2O forming corrosive and poisonous hydrogen halides. In this work experiments have been performed investigating the formation of HCl and HF from a molten salt consisting of a 13.8 wt% CaF2 in CaCl2 eutectic exposed to a flowing gas consisting of 10 vol% H2O in N2. Hydrolysis has been investigated as function of content of CaO and temperature. HCl and HF are shown to be formed at elevated temperatures; HCl forms to a substantially larger extent than HF. Addition of CaO has a marked, limiting effect on the hydrolysis. Thermodynamic modeling of the reaction indicates activity coefficients for CaO above unity in the system. For cyclic CO2-capture based on thermal swing, it is advisable to keep the temperature in the carbonation (absorption reactor well below 850 ℃ while maintaining a high CaO content if molten CaCl2 is employed. Similar conclusions can be drawn with regards to CaF2.

Single crystal growth and structure refinements of CsMxTe2-xO6 (M = Al, Ga, Ge, In) pyrochlores

International Nuclear Information System (INIS)

Siritanon, Theeranun; Sleight, A.W.; Subramanian, M.A.

2011-01-01

Graphical abstract: Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown and structure refinements indicate deviations from ideal stoichiometry presumably related to mixed valency of tellurium. Highlights: → Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown. → Structure refinements from single crystal X-ray diffraction data confirm e structure. → Deviations from ideal stoichiometry suggest mixed valency of tellurium and hence conductivity. -- Abstract: Single crystals of CsM x Te 2-x O 6 pyrochlores with M = Al, Ga, Ge, and In have been grown from a TeO 2 flux. Structure refinements from single crystal X-ray diffraction data are reported. These results are used to discuss deviations from ideal stoichiometry that result in electronic conductivity presumably related to mixed valency of tellurium.

Quasi-1D s=1/2 antiferromagnet Cs2CuCl4 in a magnetic field

DEFF Research Database (Denmark)

Coldea, R.; Tennant, D.A.; Cowley, R.A.

1997-01-01

than the field (similar or equal to 8 T) required to fully align the spins, are observed to decouple the chains, and the system enters a disordered intermediate-field phase (IFP). The IFP excitations are in agreement with the predictions of Muller et al. for the 1D S = 1/2 HAF, and Talstra and Haldane......Magnetic excitations of the quasi-1D S = 1/2 Heisenberg antiferromagnet (HAF) Cs2CuCl4 have beer measured as a function of magnetic field using neutron scattering. For T Fields greater than B-c = 1.66 T, but less...... for the related l/r(2) chain (the Haldane-Shastry model). This behavior is inconsistent with linear spin-wave theory....

New quaternary alkali metal cadmium selenites, A2Cd(SeO3)2 (A = K, Rb, and Cs) and Li2Cd3(SeO3)4

Science.gov (United States)

Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min

2017-12-01

A series of new alkali metal cadmium selenites, A2Cd(SeO3)2 (A = K, Rb, and Cs) and Li2Cd3(SeO3)4 have been synthesized in phase pure forms through hydrothermal and solid-state reactions. Structural analyses using single crystal X-ray diffraction indicate that while A2Cd(SeO3)2 and Li2Cd3(SeO3)4 reveal layered structures consisting of CdO6 and SeO3 polyhedra, their symmetry, bonding modes, and the orientation of lone pairs on Se4+ cations are different. A closer examination suggests that the observed structural variations found in the reported materials are attributed to the structure-directing effect of alkali metal cations with different sizes. Scanning electron microscopy/energy dispersive analysis by X-ray, thermogravimetric analysis, Infrared and UV-vis diffuse reflectance spectroscopy, transformation reactions under hydrothermal conditions, and local dipole moment calculations for the reported materials are also reported.

Examination of the role of CS{sub 2} in the CS{sub 2}/NMP mixed solvents to coal extraction

Energy Technology Data Exchange (ETDEWEB)

Shui, Hengfu; Wang, Zhicai [School of Chemistry and Chemical Engineering, Anhui University of Technology, 243002 Maanshan Anhui (China); Gao, Jinsheng [Department of Energy Resources and Chemical Engineering, East China University of Science & amp; Technology, 200237 Shanghai (China)

2006-02-15

The roles of CS{sub 2} in the CS{sub 2}/NMP mixed solvent to coal extraction and solubilization were investigated in this study. There was little effect of removing of CS{sub 2} from the solutions on the solubilities of UF coal extract and pyridine insoluble (PI) of the extract in the NMP/CS{sub 2} mixed solvent, suggesting that NMP has high enough solubilities to the UF coal extract and PI. Six Argonne different rank coals were extracted with the CS{sub 2}/NMP mixed solvent and NMP, respectively. It was found that the extraction yield difference between NMP and CS{sub 2}/NMP mixed solvent for UF coal is largely deviated from the curve obtained for the other 5 coals, suggesting that the pre-swelling of CS{sub 2} in the mixed solvent may be one of important roles for high extraction yield of UF coal in the CS{sub 2}/NMP mixed solvent. FTIR indicated that there was a strong interaction between CS{sub 2} and NMP in the CS{sub 2}/NMP mixed solvent of 1:1 volume ratio, which made the strong absorbance at 2156 cm{sup -1} in the FTIR spectra, and this interaction may disrupt the dipole based association of NMP thus making the CS{sub 2}/NMP mixed solvent lower viscosity, to penetrate more quickly into the network structure of coal, resulting in the larger solvent partner (NMP) to enter and break the stronger coal-coal interactions. (author)

Luminescence and scintillation properties of Ce-doped Cs2ZnCl4 crystals

Science.gov (United States)

Sugawara, K.; Koshimizu, M.; Yanagida, T.; Fujimoto, Y.; Haruki, R.; Nishikido, F.; Kishimoto, S.; Asai, K.

2015-03-01

In this study, we have synthesized scintillation materials based on Ce-doped Cs2ZnCl4 crystals. The light yield was enhanced by up to 20% by doping Cs2ZnCl4 with Ce3+ ions. In the scintillation time profiles, fast components exhibited decay time constants on the order of nanoseconds, which was ascribed to Auger-free luminescence (AFL). The light yield of the AFL component decreased at 10 mol% Ce3+ concentration, which is mainly attributed to the reabsorption of AFL photons inside the crystals by Ce3+ ions, as seen in the scintillation spectra. Long components had decay time constants of approximately 30 ns. In addition, at 10 mol% Ce3+ concentration, a prominent band appeared at approximately 500 nm in the scintillation spectrum, which was not observed in the photoluminescence spectra. The long components in the scintillation time profiles and the 500 nm band in the scintillation spectra were tentatively attributed to self-trapped excitons perturbed by Ce3+ ions.

COMBINED RAMAN AND SEM STUDY ON CAF2 FORMED ON/IN ENAMEL BY APF TREATMENTS

NARCIS (Netherlands)

TSUDA, H; JONGEBLOED, WL; STOKROOS, [No Value; ARENDS, J

1993-01-01

Raman spectra containing the distinct band at 322 cm(-1) due to CaF2 or CaF2-like material formed in/on fluoridated bovine enamel were recorded using a micro-Raman spectrograph. Due to increasing levels of background fluorescence with increasing thickness of enamel, the Raman measurements were

Heat capacity and magnetic properties of fluoride CsFe{sup 2+}Fe{sup 3+}F{sub 6} with defect pyrochlore structure

Energy Technology Data Exchange (ETDEWEB)

Gorev, M.V., E-mail: gorev@iph.krasn.ru [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Flerov, I.N. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Tressaud, A. [Institut de Chimie de la Matière Condensée, ICMCB-CNRS, Université Bordeaux, 33608 Pessac Cedex (France); Bogdanov, E.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk (Russian Federation); Kartashev, A.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Krasnoyarsk State Agrarian University, 660049 Krasnoyarsk (Russian Federation); Bayukov, O.A. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Eremin, E.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Krylov, A.S. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation)

2016-05-15

Heat capacity, Mössbauer and Raman spectra as well as magnetic properties of fluoride CsFe{sub 2}F{sub 6} with defect pyrochlore structure were studied. In addition to recently found above room temperature three successive structural transformations Pnma-Imma-I4{sub 1}amd-Fd-3m, phase transition of antiferromagnetic nature with the 13.7 K Neel temperature and a broad heat capacity anomaly with a maximum at about 30 K were observed. The room temperature symmetry Pnma is unchanged at least down to 7 K. Simple model of indirect bond used to estimate the exchange interactions and to propose a magnetic structure model. - Graphical abstract: The ordered arrangement of Fe{sup 2+} and Fe{sup 3+} ions in high-spin states as well as antiferromagnetic phase transition followed by significant magnetic frustrations were found in pyrocholore-related CsFe{sup 2+}Fe{sup 3+}F{sub 6}. A magnetic structure was proposed using a simple model of indirect bonds. - Highlights: • The Pnma structure in pyrocholore CsFe{sub 2}F{sub 6} is stable down to helium temperature. • Mössbauer spectra confirmed the ordering of Fe{sup 2+} and Fe{sup 3+} ions. • Antiferromagnetic transformation and significant magnetic frustrations are found. • Experimental magnetic entropy agrees with entropy for Fe ions in high-spin state. • Superexchange interactions were calculated and a magnetic structure was proposed.

Magnetic hyperfine interactions of U2 center in CaF2, SrF2 and BaF2

International Nuclear Information System (INIS)

Graf, C.J.F.

1976-02-01

The magnetic hyperfine parameters of the U 2 center in CaF 2 , SeF 2 and BaF 2 , using a molecular orbitals scheme have been calculated. The need for the inclusion of mechanisms such as Pauli Repulsion and Covalence in order to describe the electronic structure of the defect has been shown. In the molecular orbitals model a weak covalence parameter has been phenomenologically introduced, mixing the is atomic wavefunction of hydrogen with a properly symmetrized linear combination of 2p F - functions centered on the ions of the first fluorine shell. The results obtained are compared with experimental measurements of EPR and ENDOR. (Author) [pt

Coprecipitation of trace amounts of 137Cs and 85Sr with [Na(18-Crown-6]BPh4 from neutral and alkaline solutions

International Nuclear Information System (INIS)

Kulyukhin, S.A.; Konovalova, N.A.; Rumer, I.A.; Kamenskaya, A.N.; Mikheev, N.B.

2005-01-01

Coprecipitation of 137 Cs and 85 Sr with [Na(18-crown-6]BPh 4 solid phase from aqueous, aqueous-ethanolic, and alkaline solutions is studied. 137 C s and 85 Sr co-crystallize with [Na(18-crown-6]BPh 4 from aqueous and aqueous-ethanolic solutions. The cocrystallization coefficients D of 137 Cs and 85 Sr from aqueous solutions are 2.6 ± 0.5 and 3.3 ± 0.3, respectively. For aqueous-ethanolic solutions, the corresponding values are 4.4 ± 0.5 and 3.4 ± 0.4. In the alkaline solutions (0.1 and 1 M NaOH), 54-74% of 137 Cs and 37-51% of 85 Sr pass into the [Na(18-crown-6)]BPh 4 solid phase, depending on the crown ether concentration in the system [ru

Mixed alkali neodymium orthoborates: K_9Li_3Nd_3(BO_3)_7 and A_2LiNd(BO_3)_2 (A = Rb, Cs)

International Nuclear Information System (INIS)

Chen, Pengyun; Xia, Mingjun; Li, Rukang

2016-01-01

Crystals of mixed alkali neodymium orthoborates, K_9Li_3Nd_3(BO_3)_7 and A_2LiNd(BO_3)_2 (A = Rb, Cs) were obtained by spontaneous crystallization. K_9Li_3Nd_3(BO_3)_7 crystallizes in space group P2/c with cell parameters of a = 11.4524(7) Aa, b = 10.1266(6) Aa, c = 12.3116 (10) Aa, β = 122.0090(10) . In the structure, NdO_8 polyhedra share corners and connect with planer BO_3 groups to form infinite [Nd_3B_3O_2_1]_n chains. These chains are linked by additional BO_3 groups to produce a double layer of [Nd_6B_6O_3_8]_n blocks in the ac plane with K and Li ions filled into the cavities. A_2LiNd(BO_3)_2 (A = Rb, Cs) crystallizes in space group Pbcm, with cell parameters of a = 7.113(2) Aa, b = 9.691(3) Aa and c = 10.135(3) Aa for Rb_2LiNd(BO_3)_2, and a = 7.2113(3) Aa, b = 9.9621(4) Aa, and c = 10.3347(4) Aa for Cs_2LiNd(BO_3)_2. In the structure, NdO_8 polyhedra are corner-sharing with each other and further interlinked by BO_3 groups to comprise the infinite [Nd_4B_4O_2_4] sheets in the bc plane, with Rb/Cs and Li ions occupying the interlayered space. The compounds show effective near-IR emission and their associated lifetimes are obtained by fluorescence spectra. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

New limits on 2β processes in 40Ca and 46Ca by using low radioactive CaF2(Eu) crystal scintillators

International Nuclear Information System (INIS)

Belli, P.; Bernabei, R.; Dai, C.J.

2001-01-01

The development of highly radiopure CaF 2 (Eu) crystal scintillators has been performed aiming at a substantial sensitivity enhancement of the 2β decay investigation and of the search for dark matter particles with spin-dependent (SD) interaction. The results of CaF 2 (Eu) background measurements and simulation are presented. New and highly improved T 1/2 limits on the 2β decay of 46 Ca and the double electron capture of 40 Ca are obtained

4,6-Dibromo-N-{3-[(4,6-dibromo-2,3-dimethylphenylimino]butan-2-ylidene}-2,3-dimethylaniline

Directory of Open Access Journals (Sweden)

Lina Huang

2013-10-01

Full Text Available The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-dibromo-2,3-dimethylaniline and butane-2,3-dione. The molecule has a center of symmetry at the mid-point of the central C—C bond. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 78.3 (2°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.

Cs4PbBr6/CsPbBr3 Perovskite Composites with Near-Unity Luminescence Quantum Yield: Large-Scale Synthesis, Luminescence and Formation Mechanism, and White Light-Emitting Diode Application.

Science.gov (United States)

Chen, Yameng; Zhou, Yang; Zhao, Qing; Zhang, Junying; Ma, Ju-Ping; Xuan, Tong-Tong; Guo, Shao-Qiang; Yong, Zi-Jun; Wang, Jing; Kuroiwa, Yoshihiro; Moriyoshi, Chikako; Sun, Hong-Tao

2018-04-18

All-inorganic perovskites have emerged as a new class of phosphor materials owing to their outstanding optical properties. Zero-dimensional inorganic perovskites, in particular the Cs4PbBr6-related systems, are inspiring intensive research owing to the high photoluminescence quantum yield (PLQY) and good stability. However, synthesizing such perovskites with high PLQYs through an enviromentally friendly, cost-effective, scalable, and high-yield approach remains challenging, and their luminescence mechanisms has been elusive. Here, we report a simple, scalable, room-temperature self-assembly strategy for the synthesis of Cs4PbBr6/CsPbBr3 perovskite composites with near-unity PLQY (95%), high product yield (71%) and good stability, using low-cost, low-toxicity chemicals as precursors. A broad range of experimental and theoretical characterizations suggest that the high-efficiency PL originates from CsPbBr3 nanocrystals well passivated by the zero-dimensional Cs4PbBr6 matrix that forms based on a dissolution-crystallization process. These findings underscore the importance in accurately identifying the phase purity of zero-dimensional perovskites by synchrotron X-ray technique to gain deep insights into the structure-property relationship. Additionally, we demonstrate that green-emitting Cs4PbBr6/CsPbBr3, combined with red-emitting K2SiF6:Mn4+, can be used for the construction of WLEDs. Our work may pave the way for the use of such composite perovskites as highly luminescent emitters in various applications such as lighting, displays, and other optoelectronic and photonic devices.

The complexity of the CaF2:Yb system: evidence that CaF2:Yb2+ is not an impurity trapped exciton system

Science.gov (United States)

Mackeen, Cameron; Bridges, Frank; Kozina, Michael; Mehta, Apurva; Reid, M. F.; Wells, J.-P. R.; BarandiaráN, Zoila

Fluorite crystal structures doped with rare-earth elements exhibit an anomalous redshifted luminescence upon UV excitation, generally attributed to the relaxation of impurity trapped excitons (ITE). We find that the intensity of this luminescence decreases as the total concentration of Yb 2+ increases in unexposed samples, which is in conflict with the currently accepted ITE model. Further, using x-ray absorption spectroscopy and UV-vis studies of CaF2:Yb, we find a large (but reversible) Yb valence reduction upon x-ray exposure at 200 K - from mostly 3+ to 2+. This valence reduction is stable for long time periods at low T ITE model; the data appear more consistent with an intervalence charge transfer (IVCT) model. It is likely that many similar ITE systems have also been misidentified.

Room-temperature synthesis of pure perovskite-related Cs4PbBr6 nanocrystals and their ligand-mediated evolution into highly luminescent CsPbBr3 nanosheets

Science.gov (United States)

Yang, Liu; Li, Dongmei; Wang, Cong; Yao, Wei; Wang, Hao; Huang, Kaixiang

2017-07-01

Currently, all-inorganic cesium lead-halide perovskite nanocrystals have attracted enormous attentions owing to their excellent optical performances. While great efforts have been devoted to CsPbBr3 nanocrystals, the perovskite-related Cs4PbBr6 nanocrystals, which were newly reported, still remained poorly understood. Here, we reported a novel room-temperature reaction strategy to synthesize pure perovskite-related Cs4PbBr6 nanocrystals. Size of the products could be adjusted through altering the amount of ligands, simply. A mixture of two good solvents with different polarity was innovatively used as precursor solvent, being one key to the high-yield Cs4PbBr6 nanocrystals synthesis. Other two keys were Cs+ precursor concentration and surface ligands. Ingenious experiments were designed to reveal the underlying reaction mechanism. No excitonic emission was observed from the prepared Cs4PbBr6 nanocrystals in our work. We considered the green emission which was observed in other reports originated from the avoidless transformation of Cs4PbBr6 into CsPbBr3 nanocrystals. Indeed, the new-prepared Cs4PbBr6 nanocrystals could transform into CsPbBr3 nanosheets with surface ligands mediated. The new-transformed two-dimensional CsPbBr3 nanosheets could evolve into large-size nanosheets. The influences of surface ligand density on the fluorescent intensity and stability of transformed CsPbBr3 nanosheets were also explained. Notably, the photoluminescence quantum yield of the as-transformed CsPbBr3 nanosheets could reach as high as 61.6% in the form of thin film. The fast large-scale synthesis of Cs4PbBr6 nanocrystals and their ligand-mediated transformation into high-fluorescent CsPbBr3 nanosheets will be beneficial to the future optoelectronic applications. Our work provides new approaches to understand the structural evolution and light-emitting principle of perovskite nanocrystals. [Figure not available: see fulltext.

Syntheses, crystal structures and photoluminescence properties of two rare-earth molybdates CsLn(MoO{sub 4}){sub 2} (Ln=Eu, Tb)

Energy Technology Data Exchange (ETDEWEB)

Zhao, Dan; Ma, Fa-Xue; Liu, Bao-Zhong; Fan, Yun-Chang; Han, Xue-Feng; Zhang, Lei; Nie, Cong-Kui [Henan Polytechnic Univ. (China). College of Chemistry and Chemical Engineering

2018-04-01

Single crystals of two cesium rare-earth molybdates CsLn(MoO{sub 4}){sub 2} (Ln=Eu, Tb) have been prepared using the high temperature molten salt (flux) method. Single-crystal X-ray diffraction analyses reveal that they crystallize in the orthorhombic space group Pccm (No. 49) and features a 2D layer structure that is composed of [Ln(MoO{sub 4}){sub 2}]{sub ∞} and [Cs]{sub ∞} layers. Under near-UV light excitation, emission spectrum of CsEu(MoO{sub 4}){sub 2} consists of several sharp lines due to the characteristic electronic transitions of Eu{sup 3+} ions, whereas CsTb(MoO{sub 4}){sub 2} exhibits characteristic green emission of Tb{sup 3+} ions.

Study of interaction in the Pb(NO3)2-Cs3[Fe(CN)6]-H2O at 25 deg C

International Nuclear Information System (INIS)

Slivko, T.A.; Stepina, S.B.; Poletaev, I.F.; Golikova, N.B.

1982-01-01

The method of ''residual concentrations'' has been used to study the interaction in the lead nitrate-cesium hexacyanoferrate (3)-water system at 25 deg C. It is shown, that only one compound CsPb[Fe(CN) 6 ]x4H 2 O is formed in the studied range of the concentrations. Chemical and thermogravimetric analysis and infrared spectroscopy have been used at the determination of the compound composition. Thermolysis of the compound in the air is studied. Identification of the hydrated and waterless compound is accomplished with the help of the diffractometer DRON-1. The rate of the formation of mixed cesium hexacyanoferrates (3) with lead, zinc and nickel is compared

Diode-pumped femtosecond mode-locked Nd, Y-codoped CaF2 laser

International Nuclear Information System (INIS)

Zhu, Jiangfeng; Zhang, Lijuan; Gao, Ziye; Wang, Junli; Wang, Zhaohua; Wei, Zhiyi; Su, Liangbi; Zheng, Lihe; Wang, Jingya; Xu, Jun

2015-01-01

A passively mode-locked femtosecond laser based on an Nd, Y-codoped CaF 2 disordered crystal was demonstrated. The Y 3+ -codoping in Nd : CaF 2 markedly suppressed the quenching effect and improved the fluorescence quantum efficiency and emission spectra. With a fiber-coupled laser diode as the pump source, the continuous wave tuning range covering from 1042 to 1076 nm was realized, while the mode-locked operation generated 264 fs pulses with an average output power of 180 mW at a repetition rate of 85 MHz. The experimental results show that the Nd, Y-codoped CaF 2 disordered crystal has potential in a new generation diode-pumped high repetition rate chirped pulse amplifier. (letter)

Nido-Carborane building-block reagents. 2. Bulky-substituent (alkyl)2C2B4H6 derivatives and (C6H5)2C2B4H6: synthesis and properties

International Nuclear Information System (INIS)

Boyter, H.A. Jr.; Grimes, R.N.

1988-01-01

The preparation and chemistry of nido-2,3-R 2 C 2 C 2 B 4 H 6 carboranes in which R is n-butyl, isopentyl, n-hexyl, and phenyl was investigated in order to further assess the steric and electronic influence of the R groups on the properties of the nido-C 2 B 4 cage, especially with respect to metal complexation at the C 2 B 3 face and metal-promoted oxidative fusion. The three dialkyl derivatives were prepared from the corresponding dialkylacetylenes via reaction with B 5 H 9 and triethylamine, but the diphenyl compound could not be prepared in this manner and was obtained instead in a thermal reaction of B 5 H 9 with diphenylacetylene in the absence of amine. All four carboranes are readily bridge-deprotonated by NaH in THF, and the anions of the dialkyl species, on treatment with FeCl 2 and air oxidation, generate the respective R 4 C 4 B 8 H 8 carborane fusion products were R = n-C 4 H 9 , i-C 5 H 11 or n-C 6 H 13 . The diphenylcarborane anion Ph 2 C 2 B 4 H 5 - did not form detectable metal complexes with Fe 2+ , Co 2+ , or Ni 2+ , and no evidence of a Ph 4 C 4 B 8 H 8 fusion product has been found. Treatment of Ph 2 C 2 B 4 H 6 with Cr(CO) 6 did not lead to metal coordination of the phenyl rings, unlike (PhCH 2 ) 2 C 2 B 4 H 6 , which had previously been shown to form mono- and bis(tricarbonylchromium) complexes. However, the reaction of Ph 2 C 2 B 4 H 5 - , CoCl 2 , and (PhPCH 2 ) 2 did give 1,1-(Ph 2 PCH 2 ) 2 -1-Cl-1,2,3-Co(Ph 2 C 2 B 4 H 4 ), the only case in which metal complexation of the diphenylcarborane was observed. 14 references, 3 figures, 3 tables

2-Methylpyridinium/pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olates as potent anticonvulsant agents—synthesis and crystal structure

Energy Technology Data Exchange (ETDEWEB)

Mangaiyarkarasi, G.; Kalaivani, D., E-mail: kalaivbalaj@yahoo.co.in [Affiliated to Bharathidasan University, Post Graduate and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli-620 002 (India)

2013-12-15

The molecular salt, 2-methylpyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropy-rimidin-4-olate) (I), is prepared from the ethanolic solution of 1-chloro-2,4-dinitrobenzene, pyrimidine-2,4,6-(1H,3H,5H)-trione (barbituric acid) and 2-methylpyridine at room temperature, and the molecular salt, pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate (II), is prepared from the same reactants, by dissolving them in hot DMSO and ethanol mixture at 70°C. The structures of I and II are characterized by visible, IR, {sup 1}H-NMR, {sup 13}C-NMR and elemental analysis and confirmed by single crystal X-ray analysis. Both the salts crystallize in triclinic crystal system with sp. gr. P-bar1. They possess noticeable anticonvulsant activity even at low concentration (25 mg/kg). Acute toxicity studies of these complexes indicate that LD{sub 50} values are greater than 1500 mg/kg and the tested animals do not show any behavioural changes.

2-Methylpyridinium/pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olates as potent anticonvulsant agents—synthesis and crystal structure

International Nuclear Information System (INIS)

Mangaiyarkarasi, G.; Kalaivani, D.

2013-01-01

The molecular salt, 2-methylpyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropy-rimidin-4-olate) (I), is prepared from the ethanolic solution of 1-chloro-2,4-dinitrobenzene, pyrimidine-2,4,6-(1H,3H,5H)-trione (barbituric acid) and 2-methylpyridine at room temperature, and the molecular salt, pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate (II), is prepared from the same reactants, by dissolving them in hot DMSO and ethanol mixture at 70°C. The structures of I and II are characterized by visible, IR, 1 H-NMR, 13 C-NMR and elemental analysis and confirmed by single crystal X-ray analysis. Both the salts crystallize in triclinic crystal system with sp. gr. P-bar1. They possess noticeable anticonvulsant activity even at low concentration (25 mg/kg). Acute toxicity studies of these complexes indicate that LD 50 values are greater than 1500 mg/kg and the tested animals do not show any behavioural changes

μ(4)-Orthothio-carbonato-tetra-kis-[tri-carbonyl-iron(I)](2 Fe-Fe).

Science.gov (United States)

Shi, Yao-Cheng; Cheng, Huan-Ren; Yuan, Li-Min; Li, Qian-Kun

2011-11-01

The fused bis-butterfly-shaped title compound, [Fe(4)(CS(4))(CO)(12)], possesses an orthothio-carbonate (CS(4) (4-)) ligand that acts as a bridge between two Fe(2)(CO)(6) units. A short intra-molecular S⋯S contact [2.6984 (8) and 2.6977 (8) Å] occurs in each S(2)Fe(2)(CO)(6) fragment.

Synthesis of chondroitin sulfate CC and DD tetrasaccharides and interactions with 2H6 and LY111.

Science.gov (United States)

Matsushita, Kenya; Nakata, Tomomi; Takeda-Okuda, Naoko; Nadanaka, Satomi; Kitagawa, Hiroshi; Tamura, Jun-Ichi

2018-03-01

We synthesized the biotinylated chondroitin sulfate tetrasaccharides CS-CC [-3)βGalNAc6S(1-4)βGlcA(1-] 2 and CS-DD [-3)βGalNAc6S(1-4)βGlcA2S(1-] 2 which possess sulfate groups at O-6 of GalNAc and an additional sulfate group at O-2 of GlcA, respectively. We also analyzed interactions among CS-CC and CS-DD and the antibodies 2H6 and LY111, both of which are known to bind with CS-A, while CS-DD was shown for the first time to bind with both antibodies. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effect of annealing and impurity concentration on the TL characteristics of nanocrystalline Mn-doped CaF2

International Nuclear Information System (INIS)

Sahare, P.D.; Singh, Manveer; Kumar, Pratik

2015-01-01

Nanocrystalline samples of Mn-doped CaF 2 were synthesized by chemical coprecipitation method. The impurity concentration was varied in the range of 0.5–4.0 mol%. The structure of the synthesized material was confirmed using powder XRD analysis. TEM images of the nanoparticles show their size occurring mostly in the range of 35–40 nm, with clusters of some impurity phases formed on annealing of the material at higher temperatures. Detailed studies on TL showed that the structures of glow curves depend on Mn concentrations and annealing temperatures. Optimization of the concentration and annealing temperature showed that the sample (doped with 3.0 mol% and annealed at 673 K) has almost a single dosimetric glow peak appearing at around 492 K. EPR and PL spectra were further studied to understand the reasons for changes in the glow curve structures. All detailed studies on TL, PL and EPR showed that the changes in glow curve structures are caused not only by the stress connected with the difference in ionic radii of host Ca 2+ and the guest impurity Mn 3+ /Mn 2+ , but are also governed by other reasons, like diffusion of atmospheric oxygen and formation of impurity aggregates, such as, MnO 2 , Mn 3 O 4 , etc. This is true not only for nanocrystalline CaF 2 :Mn but could also be so for the bulk CaF 2 :Mn (TLD-400) and would thus help in understanding complex glow curve structure, high fading and the loss of reusability on annealing beyond 673 K. - Highlights: • Nanocrystalline material CaF 2 :Mn is prepared by simple coprecipitation method. • The material is studied by XRD, TEM, ESR, TL and PL techniques. • High impurity concentrations give rise to clusters causing material instability. • Changes in ESR and PL and glow curve structures are studied and explained. • Better characteristics than the bulk make the nanophosphor useful for dosimetry

One- and two-photon spectra of Nd3+ clusters in CaF2 and SrF2 crystals

International Nuclear Information System (INIS)

Basiev, Tasoltan T; Voronov, Valerii V; Glotova, M Yu; Papashvili, A G; Karasik, Aleksandr Ya

2003-01-01

The polarised two-photon (IR) and one-photon (visible) luminescence excitation spectra of Nd 3+ nanoclusters in CaF 2 and SrF 2 crystals are measured at 10 K using a F - 2 :LiF colour centre laser tunable in spectral ranges 1090 - 1230 nm and 545 - 615 nm with an emission linewidth of ∼0.02 - 0.03 cm -1 , an average output power of ∼55 mW, and a pulse repetition rate of 10 Hz. The two-photon excitation spectra at the 4 I 9/2 → 4 G 5/2 transition reveal the structure, which is absent upon one-photon excitation, which can be explained by different selection rules for some Stark - Stark transitions upon one- and two-photon absorption. (special issue devoted to the memory of academician a m prokhorov)

Vibronic intensities for Er{sup 3+} in Cs{sub 2} NaErCl{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Acevedo, R.; Navarro, G. [Departamento de Quimica Basica, Facultad de Ciencias Fisicas y Matematicas, Universidad de Chile, Beauchef 850, Casilla 2777, Santiago (Chile); Meruane, T. [Universidad Metropolitana de Ciencias y Educacion, Av. Jose Pedro Alessandri 774, Casilla 147-C Santiago (Chile)

2001-07-01

In this current study, we have undertaken vibronic intensity calculations for the absorptions (({sup 4}I{sub 15/2}) {gamma}{sub k}) {yields} (({sup 4}I{sub 13/2}) {gamma}{sub l}) of the Er{sup 3+} in the Cs{sub 2}NaErCl{sub 6} elpasolite type system. This system is extremely complicated to handle from both a theoretical and an experimental viewpoints. This theoretical work shows that over an energy range of about 400 cm{sup -1}, a substantial amount of transitions are likely to take place (about 100 transitions; twenty five of them are magnetic dipole allowed and seventy five are vibronically allowed). It is then a formidable task to identify and assign all of these transitions in a non-ambiguous way. Also the experimental evidence available for these absorptions is related to a total of about twenty lines in the luminescence spectrum of this system. The spectrum itself is very challenging and the superposition of spectral features is most likely to occur. A careful analysis of the calculated vibronic intensities and overall oscillator strengths for the various transitions indicates that the current model used is both flexible and appropriate to deal with this kind of systems. In a forthcoming paper, we will examine the rather unusual high intensity associated with the (({sup 4}I{sub 15/2}) {gamma}{sub k}) {yields} (({sup 4}S{sub 3/2}) {gamma}{sub l}) excitations. (Author)

Synthesis and structure of [(NH2)2CSSC(NH2)2]2[OsBr6]Br2 . 3H2O

International Nuclear Information System (INIS)

Rudnitskaya, O. V.; Kultyshkina, E. K.; Stash, A. I.; Glukhova, A. A.; Venskovskii, N. U.

2008-01-01

The complex [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2 [OsBr 6 ]Br 2 . 3H 2 O is synthesized by the reaction of K 2 OsBr 6 with thiocarbamide in concentrated HBr and characterized using electronic absorption and IR absorption spectroscopy. Its crystal structure is determined by X-ray diffraction. The crystals are orthorhombic, a = 11.730(2) A, b = 14.052(3) A, c = 16.994(3) A, space group Cmcm, and Z = 4. The [OsBr 6 ] 2- anionic complex has an octahedral structure. The Os-Br distances fall in the range 2.483-2.490 A. The α,α'-dithiobisformamidinium cation is a product of the oxidation of thiocarbamide. The S-S and C-S distances are 2.016 and 1.784 A, respectively. The H 2 O molecules, Br - ions, and NH 2 groups of the cation are linked by hydrogen bonds.

Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit

Science.gov (United States)

Pan, Weicheng; Wu, Haodi; Luo, Jiajun; Deng, Zhenzhou; Ge, Cong; Chen, Chao; Jiang, Xiaowei; Yin, Wan-Jian; Niu, Guangda; Zhu, Lujun; Yin, Lixiao; Zhou, Ying; Xie, Qingguo; Ke, Xiaoxing; Sui, Manling; Tang, Jiang

2017-11-01

Sensitive X-ray detection is crucial for medical diagnosis, industrial inspection and scientific research. The recently described hybrid lead halide perovskites have demonstrated low-cost fabrication and outstanding performance for direct X-ray detection, but they all contain toxic Pb in a soluble form. Here, we report sensitive X-ray detectors using solution-processed double perovskite Cs2AgBiBr6 single crystals. Through thermal annealing and surface treatment, we largely eliminate Ag+/Bi3+ disordering and improve the crystal resistivity, resulting in a detector with a minimum detectable dose rate as low as 59.7 nGyair s-1, comparable to the latest record of 0.036 μGyair s-1 using CH3NH3PbBr3 single crystals. Suppressed ion migration in Cs2AgBiBr6 permits relatively large external bias, guaranteeing efficient charge collection without a substantial increase in noise current and thus enabling the low detection limit.

6-Bromo-2-(1,4-dibromo-4-methylcyclohexyl-6-methylheptan-4-one

Directory of Open Access Journals (Sweden)

Ahmed Benharref

2017-11-01

Full Text Available The title compound, C15H25Br3O, was synthesized in one step from a mixture of α-atlantone [2-methyl-6-(4-methylcyclohex-3-en-1-ylhepta-2,5-dien-4-one] and γ-atlantone [2-methyl-6-(4-methylcyclohex-3-en-1-ylidenehept-2-en-4-one], which were isolated from an essential oil of the Atlas cedar (Cedrus Atlantica. The molecule is built up from the bromo ethyl cyclohexane ring, which has a substituent bromomethylhexanone group. The cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming zigzag chains parallel to [100].

Complex refractive index measurements for BaF 2 and CaF 2 via single-angle infrared reflectance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kelly-Gorham, Molly Rose K.; DeVetter, Brent M.; Brauer, Carolyn S.; Cannon, Bret D.; Burton, Sarah D.; Bliss, Mary; Johnson, Timothy J.; Myers, Tanya L.

2017-10-01

We have re-investigated the optical constants n and k for the homologous series of inorganic salts barium fluoride (BaF2) and calcium fluoride (CaF2) using a single-angle near-normal incidence reflectance device in combination with a calibrated Fourier transform infrared (FTIR) spectrometer. Our results are in good qualitative agreement with most previous works. However, certain features of the previously published data near the reststrahlen band exhibit distinct differences in spectral characteristics. Notably, our measurements of BaF2 do not include a spectral feature in the ~250 cm-1 reststrahlen band that was previously published. Additionally, CaF2 exhibits a distinct wavelength shift relative to the model derived from previously published data. We confirmed our results with recently published works that use significantly more modern instrumentation and data reduction techniques

Bandgap engineering of lead-free double perovskite Cs{sub 2}AgBiBr{sub 6} through trivalent metal alloying

Energy Technology Data Exchange (ETDEWEB)

Du, Ke-zhao; Mitzi, David B. [Department of Mechanical Engineering and Materials Science, and Department of Chemistry, Duke University, Durham, NC (United States); Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa [Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, OH (United States)

2017-07-03

The double perovskite family, A{sub 2}M{sup I}M{sup III}X{sub 6}, is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH{sub 3}NH{sub 3}PbI{sub 3}. Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs{sub 2}AgBiBr{sub 6} as host, band-gap engineering through alloying of In{sup III}/Sb{sup III} has been demonstrated in the current work. Cs{sub 2}Ag(Bi{sub 1-x}M{sub x})Br{sub 6} (M=In, Sb) accommodates up to 75 % In{sup III} with increased band gap, and up to 37.5 % Sb{sup III} with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs{sub 2}Ag(Bi{sub 0.625}Sb{sub 0.375})Br{sub 6}. Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Probing molecules on a surface by Cs+ reactive ion scattering: identification of C2Hx (x≤4) hydrocarbons

International Nuclear Information System (INIS)

Kang, H.; Lee, C.W.; Hwang, C.H.; Kim, C.M.

2003-01-01

We studied molecular species appearing in the reactions of ethylene on a Pt(1 1 1) surface by the technique of Cs + reactive ion scattering (Cs + RIS). Dehydrogenation reaction of ethylene was examined for a surface temperature range of 100-800 K, and the RIS result verified the well-known sequence of forming di-σ-bonded ethylene (-CH 2 -CH 2 -), ethylidyne (≡C-CH 3 ), CH, and then surface carbons, as the temperature increased. In particular, the intermediate species in the conversion of ethylene to ethylidyne was closely investigated, which showed the presence of an ethylidene intermediate (≡CH-CH 3 ). In a study of H/D exchange reactions between surface C 2 D 4 and H, we successfully identified the ethylenes in which several deuterium atoms were substituted by hydrogen (C 2 D 4-x H x ,x=0-4), and quantitatively determined their relative populations. These examples demonstrate the ability of the Cs + RIS method to identify small hydrocarbons and their isotope-exchanged species on surfaces

Superacid univalent metal phosphites (MH2PO3)2·H3PO3 (M Rb, Tl+) and MH2PO3·H3PO3 (M = K, Cs): synthesis and structure

International Nuclear Information System (INIS)

Kosterina, E.V.; Troyanov, S.I.; Aslanov, L.A.; Kemnits, Eh.

2001-01-01

Crystal superacid phosphites α-CsH 2 PO 3 ·H 3 PO 3 (1) and β-CsH 2 PO 3 ·H 3 PO 3 (2) were prepared by means of interaction between cesium carbonate and phosphoric acid excess. The structure of the compounds, i.e.: 1-rhombic crystal system, sp.gr. P2 1 2 1 2 1 , a = 6.033 (1), b = 6.444 (1), c = 18.345 (4) A: 2-monoclinic crystal system, sp.gr. C2/c, a = 9.990 (3), b = 12.197 (4), c = 6.866 (2) A, β = 118.14 (3) deg, was determined by the method of X-ray diffraction analysis of monocrystals at 150 K. Comparative analysis of the crystal structure and hydrogen bond systems in acid phosphites of different composition was conducted [ru

Fast neutron responses of CaF2:Tm Teflon TLD discs of different thicknesses

International Nuclear Information System (INIS)

Pradhan, A.S.; Hoffmann, W.

1986-01-01

The fact that in CaF 2 :Tm (TLD-300) the ratio of the heights of thermoluminescence (TL) glow peaks at 240 0 C and 150 0 C is greater for irradiations by high LET radiations than by gamma rays has been found useful for the simultaneous and separate measurement of fast neutron and gamma ray absorbed doses. A recent study has indicated that the mixed field dosimetric characteristics of CaF 2 :Tm could be significantly improved by using thin TLDs. In the present study, CaF 2 :Tm Teflon TLD discs of thickness as low as 0.05 mm were evaluated. The thin discs could be read out by using normal planchette heating if a 400 0 C heat treatment is given to the discs prior to irradiation and TL readout. Influence of encapsulation of thin dosemeters was studied and their utility in situations such as interface dosimetry is discussed. (author)

Suppression in the electrical hysteresis by using CaF2 dielectric layer for p-GaN MIS capacitors

Science.gov (United States)

Sang, Liwen; Ren, Bing; Liao, Meiyong; Koide, Yasuo; Sumiya, Masatomo

2018-04-01

The capacitance-voltage (C-V) hysteresis in the bidirectional measurements of the p-GaN metal-insulator-semiconductor (MIS) capacitor is suppressed by using a CaF2 dielectric layer and a post annealing treatment. The density of trapped charge states at the CaF2/p-GaN interface is dramatically reduced from 1.3 × 1013 cm2 to 1.1 × 1011/cm2 compared to that of the Al2O3/p-GaN interface with a large C-V hysteresis. It is observed that the disordered oxidized interfacial layer can be avoided by using the CaF2 dielectric. The downward band bending of p-GaN is decreased from 1.51 to 0.85 eV as a result of the low-density oxides-related trap states. Our work indicates that the CaF2 can be used as a promising dielectric layer for the p-GaN MIS structures.

Bacterial CS2 Hydrolases from Acidithiobacillus thiooxidans Strains Are Homologous to the Archaeal Catenane CS2 Hydrolase

NARCIS (Netherlands)

Smeulders, M.J.; Pol, A. van der; Venselaar, H.; Barends, T.R.; Hermans, J.; Jetten, M.S.M.; Camp, H.J.M. op den

2013-01-01

Carbon disulfide (CS2) and carbonyl sulfide (COS) are important in the global sulfur cycle, and CS2 is used as a solvent in the viscose industry. These compounds can be converted by sulfur-oxidizing bacteria, such as Acidithiobacillus thiooxidans species, to carbon dioxide (CO2) and hydrogen sulfide

Metallic behavior and periodical valence ordering in a MMX chain compound, Pt(2)(EtCS(2))(4)I.

Science.gov (United States)

Mitsumi, M; Murase, T; Kishida, H; Yoshinari, T; Ozawa, Y; Toriumi, K; Sonoyama, T; Kitagawa, H; Mitani, T

2001-11-14

A new one-dimensional (1-D) halogen-bridged mixed-valence diplatinum(II,III) compound, Pt(2)(EtCS(2))(4)I (3), has been successfully synthesized from [Pt(2)(EtCS(2))(4)] (1) and [Pt(2)(EtCS(2))(4)I(2)] (2). These three compounds have been examined using UV-visible-near-IR, IR, polarized Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and X-ray crystal structure analyses (except for 1). Compound 3 was further characterized through electrical transport measurements, determination of the temperature dependence of lattice parameters, X-ray diffuse scattering, and SQUID magnetometry. 3 crystallizes in the monoclinic space group C2/c and exhibits a crystal structure consisting of neutral 1-D chains with a repeating -Pt-Pt-I- unit lying on the crystallographic 2-fold axis parallel to the b axis. The Pt-Pt distance at 293 K is 2.684 (1) A in the dinuclear unit, while the Pt-I distances are essentially equal (2.982 (1) and 2.978 (1) A). 3 shows relatively high electrical conductivity (5-30 S cm(-1)) at room temperature and undergoes a metal-semiconductor transition at T(M-S) = 205 K. The XPS spectrum in the metallic state reveals a Pt(2+) and Pt(3+) mixed-valence state on the time scale of XPS spectroscopy ( approximately 10(-17) s). In accordance with the metal-semiconductor transition, anomalies are observed in the temperature dependence of the crystal structure, lattice parameters, X-ray diffuse scattering, and polarized Raman spectra near T(M-S). In variable-temperature crystal structure analyses, a sudden and drastic increase in the Pt-I distance near the transition temperature is observed. Furthermore, a steep increase in U(22) of iodine atoms in the 1-D chain direction has been observed. The lattice parameters exhibit significant temperature dependence with drastic change in slope at about 205-240 K. This was especially evident in the unit cell parameter b (1-D chain direction) as it was found to lengthen rapidly with increasing temperature. X

Highly aqueous soluble CaF2:Ce/Tb nanocrystals: effect of surface functionalization on structural, optical band gap, and photoluminescence properties.

Science.gov (United States)

Ansari, Anees A; Parchur, Abdul K; Kumar, Brijesh; Rai, S B

2016-12-01

The design of nanostructured materials with highly stable water-dispersion and luminescence efficiency is an important concern in nanotechnology and nanomedicine. In this paper, we described the synthesis and distinct surface modification on the morphological structure and optical (optical absorption, band gap energy, excitation, emission, decay time, etc.) properties of highly crystalline water-dispersible CaF 2 :Ce/Tb nanocrystals (core-nanocrystals). The epitaxial growth of inert CaF 2 and silica shell, respectively, on their surface forming as CaF 2 :Ce/Tb@CaF 2 (core/shell) and CaF 2 :Ce/Tb@CaF 2 @SiO 2 (core/shell/SiO 2 ) nanoarchitecture. X-ray diffraction and transmission electron microscope image shows that the nanocrystals were in irregular spherical phase, highly crystalline (~20 nm) with narrow size distribution. The core/shell nanocrystals confirm that the surface coating is responsible in the change of symmetrical nanostructure, which was determined from the band gap energy and luminescent properties. It was found that an inert inorganic shell formation effectively enhances the luminescence efficiency and silica shell makes the nanocrystals highly water-dispersible. In addition, Ce 3+ /Tb 3+ -co-doped CaF 2 nanocrystals show efficient energy transfer from Ce 3+ to Tb 3+ ion and strong green luminescence of Tb 3+ ion at 541 nm( 5 D 4 → 7 F 5 ). Luminescence decay curves of core and core/shell nanocrystals were fitted using mono and biexponential equations, and R 2 regression coefficient criteria were used to discriminate the goodness of the fitted model. The lifetime values for the core/shell nanocrystals are higher than core-nanocrystals. Considering the high stable water-dispersion and intensive luminescence emission in the visible region, these luminescent core/shell nanocrystals could be potential candidates for luminescent bio-imaging, optical bio-probe, displays, staining, and multianalyte optical sensing. A newly designed CaF 2 :Ce

Redox equilibrium of U4+/U3+ in molten NaCl-2CsCl by UV-Vis spectrophotometry and cyclic voltammetry

International Nuclear Information System (INIS)

Nagai, Takayuki; Uehara, Akihiro; Fujii, Toshiyuki; Shirai, Osamu; Yamana, Hajimu; Sato, Nobuaki

2005-01-01

In order to investigate the redox equilibrium of uranium ions in molten NaCl-2CsCl, UV-Vis absorption spectro-photometry measurements were performed for U 4+ and U 3+ in molten NaCl-2CsCl at 923 K under simultaneous electrolytic control of their ratio. Prominent absorption bands at 480 and 570 nm were assigned to U 3+ , and their molar absorptivities were determined to be 1,260±42 and 963±32 mol -1 ·l·cm -1 respectively. From the dependence of the rest potential of the melt on the spectrophotometrically determined ratio of [U 4+ ]/[U 3+ ], the standard redox potential of the couple U 4+ /U 3+ at 923 K was determined to be -1.481±0.004 V vs. Cl 2 /Cl - . Cyclic voltammetry measurements were carried out for the couple U 4+ /U 3+ , and the results agreed well with this standard redox potential value. By the results of cyclic voltammetry, a temperature dependence of the standard redox potential was found to be -2.094+6.639 x 10 -4 T (T=823-923K). (author)

Thermodynamic investigations of the quasi-2d triangular Heisenberg antiferromagnet Cs{sub 2}CuCl{sub 2}Br{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Tutsch, Ulrich; Postulka, Lars; Wolf, Bernd; Lang, Michael; Well, Natalija van; Ritter, Franz; Krellner, Cornelius; Assmus, Wolf [Physikalisches Institut, Goethe-University Frankfurt (Germany)

2015-07-01

The system Cs{sub 2}CuCl{sub 4-x}Br{sub x} (0 ≤ x ≤ 4) is a quasi-two-dimensional Heisenberg antiferromagnet with a triangular in-plane arrangement of the spin-spin couplings. The ratio J{sup '}/J of the corresponding coupling constants determines the degree of frustration in the system and has been found to be 0.34 (x = 0) and 0.74 (x = 4) for the border compounds. One may ask whether for some intermediate Br concentration an even higher degree of frustration can be reached. Indeed, some indications have been reported by Ono et al. Here, we present specific heat C and susceptibility χ measurements below 1 K in magnetic fields B up to 13.5 T for the intermediate compound Cs{sub 2}CuCl{sub 2}Br{sub 2}, which, due to site-selective substitution, shows a well-ordered halide sublattice. Indications for an antiferromagnetic transition are observed around 90 mK for B = 0. A small field of B = 0.14 T is sufficient to fully suppress this anomaly. Taking into account the high saturation field of about 20 T, extrapolated from χ(T = const, B) scans at low temperatures, this small ordered region in the B-T plane clearly indicates a high degree of frustration in Cs{sub 2}CuCl{sub 2}Br{sub 2}.

Preparation and mass spectrometrical high temperature investigations on compounds of the quasi-ternary system Cs2O-Al2O3-SiO2

International Nuclear Information System (INIS)

Odoj, R.; Hilpert, K.; Nuernberg, H.W.

1977-09-01

Additions of aluminium oxide and silicen oxide to ceramic fuel for pyrocarbon-coated nuclear fuel paticles counteract a release of fission-cesium by compound formation. The vapourization tests carried out here using samples from the quasi-ternary system cesium-oxide-aluminium-oxide-silicon-oxide by means of high-temperature mass spectroscopy using a Knudsen cell served the optimization of this retention effect. The aim of the apparative changes on the knudsen cell were to shield heat radiation on the temperature measuring borehole through the tungsten wire cathode in order to be able to perform exact temperature measurements even below 1,000 0 C. A new method of preparation was developed to obtain defined cesium aluminium silicates whose composition was determined by Guinier and goniometer pictures as well as by microscopic investigations. According to the latter, 3 ternary compounds are present in the system investigated: CsAlSiO 4 , CsAlSi 2 O 6 and CsAlSi 5 O 12 . Their lattice constants were determined from goniometric measurements; the vapour pressure equection were set up from the measured cesium vapour pressure values over each sample and the enthalpies of the vapourization reactions were found to be 84 kcal for CsAlSiO 4 at 1,400 0 K, 100 kcal for CsAlSi 2 O 6 at 1,550 0 K and 122 kcal for CsAlSi 5 O 12 at 1,650 0 K. The cesium vapour pressures of the glas phases investigated of the system are above the Cs partial pressures of the solid crystalline phases of the same composition. The results of the work explain the causes of the reduction of the Cs release and show that the vapour pressure can be lowered by more than 10 orders of magnitude at reactor relevant temperatures by compound formation. (RB) [de

Crystal structure of CsTb(PO3)4 compound

International Nuclear Information System (INIS)

Palkina, K.K.; Maksimova, S.I.; Kuznetsov, V.G.; Chibiskova, N.T.

1978-01-01

The X-ray structural study of compounds of the CsLn(PO 3 ) 4 series has been made. Found is the presence of two structural types for CsPr(PO 3 ) 4 (cubic and monoclinic modifications), one type for CsNd(PO 3 ) 4 (cubic modification) and for CsTb(PO 3 ) 4 (monoclinic modification). For the CsTb(PO 3 ) 4 monocrystal the lattice parameters are determined: a=7.032 +- 0.001; b=8.705 +- 0.001; c=9.051 +- 0.001 A; α=90 deg, β=90 deg, γ=100 deg, Z=2, V=545.68 A 3 , dsub(exp)=3.70 g/cm 3 . The structure character is presented as infinite chains of (PO 4 ) tetrahedrons, stretched along the ''C'' period. Tb and Cs atoms are rounded by 8 atoms of oxygen. Tb polyhedron are irregular octaapexes or strongly deformed tetragonal antiprisms. Tb-Tb shortest distance is 6.59 A

Crystal structure of racemic 2-[(β-arabinopyranosylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile

Directory of Open Access Journals (Sweden)

Sherif F. Hammad

2018-06-01

Full Text Available In the racemic title compound, C23H20N2O4S, the sulfur atom is attached equatorially to the sugar ring with unequal S—C bonds, viz.: S—Cs = 1.808 (2 and S—Cp = 1.770 (2 Å (s = sugar, p = pyridyl. The dihedral angles between the pyridine ring and its attached phenyl groups are 42.24 (8 and 6.37 (14°. In the crystal, a system of classical O—H...O and O—H...(O,O hydrogen bonds links the molecules to form tube-like assemblies propagating parallel to the c-axis direction. Weak C—H...N interactions are also observed.

Calcium flouride (CaF2) from oyster shell as a raw material for thermoluminescence dosimeter

International Nuclear Information System (INIS)

Coloma, Lyra C.; Fanuga, Lyn N.; Ocreto, Cherries Ann; Rodriguez, Richita

2006-03-01

This study aims to develop a thermoluminescence dosimeter raw material made of calcium fluoride from locally available seashells that is suitable for personal radiation monitoring. Oyster shells were collected and grounded as powder samples and analyzed for calcium fluoride (CaF 2 ) content using XRF and XRD testing. Samples include pure CaF 2 , pure oyster shell, and oyster shells treated with acid. Based from the XRF results, natural oyster shell (w/ and w/o HNO 3 ) had high percentage of calcium about 49.64% and 47.45%, next to the pure calcium fluoride of 51.08%. X-ray diffractrogram shows that oyster sample had the nearest desired structure of CaF 2 compared with two seashells relative to the pure CaF 2 as standard materials. Results show that all of the natural oyster samples displayed TL emission glow curves at the temperature range 200-300 o C. It was also found that pure oyster sample has better TL response as compared to the treated ones. The researchers concluded that the calcium fluoride from oyster shells (without acid and heated) is a potentially good low-cost TLD raw material and may be used as an alternative for the much more expensive LiF dosimeters. (Authors)

Heat capacity of Sr10(PO4)6Cl2 and Ca10(PO4)6Cl2 by DSC

International Nuclear Information System (INIS)

Venkata Krishnan, R.; Jena, Hrudananda; Govindan Kutty, K.V.; Nagarajan, K.

2008-01-01

Strontium and calcium chloroapatites were synthesized by wet chemical method, characterized by X-ray diffraction and are found to be phase pure materials. The measured room temperature lattice parameter of Ca 10 (PO 4 ) 6 Cl 2 is a = 9.523 A, c = 6.855 A and for Sr 10 (PO 4 ) 6 Cl 2 is a = 9.876 A, c = 7.188 A. Heat capacity measurements were carried out on Ca 10 (PO 4 ) 6 Cl 2 and Sr 10 (PO 4 ) 6 Cl 2 by DSC in the temperature range 298-800 K. The heat capacity values of Sr 10 (PO 4 ) 6 Cl 2 is higher at all temperatures than Ca 10 (PO 4 ) 6 Cl 2 . Enthalpy and entropy increments were computed. Heat capacity values of Ca 10 (PO 4 ) 6 Cl 2 and Sr 10 (PO 4 ) 6 Cl 2 at 298 K are 758 and 868 J K -1 mol -1 , respectively

Development and measurement of luminescence properties of Ce-doped Cs2LiGdBr6 crystals irradiated with X-ray, γ-ray and proton beam