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Sample records for c4h4s-doped mgb2 tapes

  1. Phthalocyanine doping to improve critical current densities in MgB2 tapes

    International Nuclear Information System (INIS)

    Zhang Xianping; Ma Yanwei; Wang Dongliang; Gao Zhaoshun; Wang Lei; Qi Yanpeng; Awaji, Satoshi; Watanabe, Kazuo; Mossang, Eric

    2009-01-01

    Phthalocyanine-doped MgB 2 tapes were prepared by the in situ powder-in-tube method. The relationships between the critical current properties, crystallinity and microstructure were studied as a function of the phthalocyanine doping level. It is found that both H irr and H c2 were improved when MgB 2 samples were doped with phthalocyanine, which are mainly attributed to the effective carbon substitution and enhanced flux pinning strength caused by very fine grain sizes. Furthermore, compared to pure samples, the MgO content remained almost unchanged in all doped tapes, which is very beneficial to having better grain connectivity in MgB 2 . Significantly improved J c was obtained in the phthalocyanine-doped MgB 2 tapes, especially under high magnetic fields.

  2. Effects of TiC doping on the upper critical field of MgB2 superconductors

    International Nuclear Information System (INIS)

    Yan, S.C.; Zhou, L.; Yan, G.; Lu, Y.F.

    2008-01-01

    TiC doped MgB 2 bulks were fabricated by two-step reaction method. The sample with a nominal compositions of Mg(B 0.95 (TiC) 0.05 ) 4 was first sintered at 1000 deg. C for 0.5 h. An appropriate amount of Mg was added to reach the stoichiometry of Mg(B 0.95 (TiC) 0.05 ) 2 , which was sintered at 750 deg. C for 2 h. The H c2 for the micro-TiC doped MgB 2 reached 12 T at 20 K. And J c is 5.3 x 10 4 A/cm 2 at 20 K and 1 T. The results indicate that the two-step reaction method could effectively introduce the carbon in TiC into the MgB 2 crystalline lattice, and therefore improve the upper critical field

  3. Enhancement of the critical current density and flux pinning of MgB2 superconductor by nanoparticle SiC doping

    Science.gov (United States)

    Dou, S. X.; Soltanian, S.; Horvat, J.; Wang, X. L.; Zhou, S. H.; Ionescu, M.; Liu, H. K.; Munroe, P.; Tomsic, M.

    2002-10-01

    Doping of MgB2 by nano-SiC and its potential for the improvement of flux pinning were studied for MgB2-x)(SiCx/2 with x=0, 0.2, and 0.3 and for 10 wt % nano-SiC-doped MgB2 samples. Cosubstitution of B by Si and C counterbalanced the effects of single-element doping, decreasing Tc by only 1.5 K, introducing intragrain pinning centers effective at high fields and temperatures, and significantly enhancing Jc and Hirr. Compared to the undoped sample, Jc for the 10 wt % doped sample increased by a factor of 32 at 5 K and 8 T, 42 at 20 K and 5 T, and 14 at 30 K and 2 T. At 20 K and 2 T, the Jc for the doped sample was 2.4 x105 A/cm2, which is comparable to Jc values for the best Ag/Bi-2223 tapes. At 20 K and 4 T, Jc was twice as high as for the best MgB2 thin films and an order of magnitude higher than for the best Fe/MgB2 tapes. The magnetic Jc is consistent with the transport Jc which remains at 20 000 A/cm2 even at 10 T and 5 K for the doped sample, an order of magnitude higher than the undoped one. Because of such high performance, it is anticipated that the future MgB2 conductors will be made using a formula of MgBxSiyCz instead of pure MgB2.

  4. Quantitative electron microscopy and spectroscopy of MgB2 wires and tapes

    International Nuclear Information System (INIS)

    Birajdar, B; Peranio, N; Eibl, O

    2008-01-01

    In MgB 2 the correlation of microstructure with superconducting properties, in particular the critical current density, requires powerful analytical tools. Critical current densities and electrical resistivities of different MgB 2 superconductors differ by orders of magnitudes and the current limiting mechanisms have not been fully understood. Granularity of MgB 2 is one significant reason for reduced critical current densities and is introduced intrinsically by the anisotropy of B c2 but also extrinsically by the microstructure of the material. B c2 enhancement by doping is another important challenge for chemical analysis and, at present, doping levels are not well controlled on the sub-μm scale. In this paper the quantitative electron microscopy and spectroscopy methods essential for the microstructural analysis of MgB 2 are described. By quantitative electron microscopy and spectroscopy we mean a combined SEM and TEM analysis that covers various length scales from μm to nm. Contamination-free sample preparation, chemical mapping including B, and advanced chemical quantification using x-ray microanalysis were essential elements of the applied methodology. The methodology was applied to in situ and ex situ MgB 2 wires and tapes with and without SiC additives. Quantitative B analysis by EDX spectroscopy was applied quantitatively in the SEM and TEM, which is a major achievement. Although MgB 2 is a binary system, the thermodynamics of phase formation is complex, and the complexity is dramatically increased if additives like SiC are used. The small, sub-μm grain sizes of the matrix and secondary phases require TEM methods. However, granularity on the μm scale was also identified and underlines the importance of the combined SEM and TEM studies. Significant differences in the microstructure were observed for in situ and ex situ samples. This holds particularly if SiC was added and yielded Mg 2 Si for in situ samples annealed at 600-650 deg. C and Mg-Si-O phases

  5. Enhancement of Critical Current Density and Flux Pinning in Acetone and La2O3 Codoped MgB2 Tapes

    International Nuclear Information System (INIS)

    Gao Zhao-Shun; Ma Yan-Wei; Wang Dong-Liang; Zhang Xian-Ping; Awaji Satoshi; Watanabe Kazuo

    2010-01-01

    MgB 2 tape samples with simultaneous additions of acetone and La 2 O 3 were prepared by an in-situ processed powder-in-tube method. Compared to the pure and single doped tapes, both transport J c and fluxing pinning are greatly improved by acetone and La 2 O 3 codoping. Acetone supplies carbon into the MgB 2 crystal lattice and increases the upper critical field, while the La 2 O 3 reacts with B to form LaB 6 nanoparticles as effective flux pining centers. The improvement of the superconducting properties in codoped tapes can be attributed to the combined effects of improvement in H c2 and flux pinning. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  6. Influence of iridium doping in MgB2 superconducting wires

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude

    2018-01-01

    MgB2 wires with iridium doping were manufactured using the in-situ technique in a composite Cu-Nb sheath. Reaction was performed at 700°C, 800°C or 900°C for 1h in argon atmosphere. A maximum of about 1.5 at.% Ir replaces Mg in MgB2. The superconducting transition temperature is slightly lowered...... by Ir doping. The formation of IrMg3 and IrMg4 secondary phase particles is evidenced, especially for a nominal stoichiometry with 2.0 at.% Ir doping. The critical current density and accommodation field of the wires are strongly dependent on the Ir content and are generally weakened in the presence...

  7. Flux pinning properties of impurity doped MgB2 bulks synthesized by diffusion method

    International Nuclear Information System (INIS)

    Ueda, Shinya; Shimoyama, Jun-ichi; Yamamoto, Akiyasu; Katsura, Yukari; Iwayama, Isao; Horii, Shigeru; Kishio, Kohji

    2005-01-01

    Doping effects of carbon-containing impurities on the critical current properties and microstructure were systematically studied for highly dense MgB 2 bulks prepared by the diffusion method starting from magnesium and boron which are separately packed in sealed stainless tubes. Obtained samples exhibited improved critical current density, J c , simply by an increase of effective current pass. A non-doped MgB 2 recorded almost double high J c at 20 K compared with those of the conventional porous MgB 2 bulks having ∼50% of the theoretical density, while irreversibility field, H irr , did not largely change. J c under high magnetic fields were enhanced by doping of carbon-containing impurities, such as SiC and B 4 C. Optimal doping levels of SiC and B 4 C for high critical current properties at 20 K are found to be ∼2% and 5%, respectively, as nominal carbon concentration at boron site. Difference in the optimal doping levels is originated from the difference in their reactivity

  8. Optimization of superconductivity properties in MgB2 Wires and tapes to generate high magnetic fields

    International Nuclear Information System (INIS)

    Serrano, German

    2005-01-01

    We present, in this work, a study of the effects of doping, heat treatments and mechanisms of deformation, over the microstructure and superconducting properties of powder in tube (PIT) M g B 2 wires and tapes.We observed that nano-SiC doping improves the critical current density (J c ) and the upper critical field (H c 2).The combined use of doping and Hot Isostatic Pressing (HIPing), produces samples with high density and improves J c s.We studied the influence of number and temperature of intermediate heat treatments (TTI), during the fabrication of wires and tapes.We observed that TTI made at low temperature ( o C), results in wires and tapes with better microstructure than those made at high temperature.Moreover, the increment of the heat treatments numbers at high temperature, decreases the quality of microstructure and J c .In the study of sheaths materials, we observed that the J c values measured by magnetization in Ti sheath samples are two order of magnitude larger than the values measured by transport, which indicates macroscopic fracture problems.On other hand, we fabricated tapes with excellent J c values (10 4 A/cm 2 at 4K and 7T), which are similar to those of samples made with HIPing.This tape presents some degree of grains alignment, as a consequence of rolling.We observed J c anisotropy in both transport and magnetization measurements in a range between 4 and 26K, and the same effect in H c 2.The anisotropy factor in Jc increase with applied field, while the anisotropy in Hc2 is constant with temperature (H c 2 parallel H c 2 perpendicular ∼1.2).Finally, we observed that carbon nanotubes doping improves H c 2 and this effects is most important at temperatures below 5K.This increase in H c 2 was predicted by Gurevich [45], as an effect of modification in scattering coefficient between electronics bands of M g B 2 by doping [es

  9. The Influence of CuFe2O4 Nanoparticles on Superconductivity of MgB2

    Science.gov (United States)

    Novosel, Nikolina; Pajić, Damir; Skoko, Željko; Mustapić, Mislav; Babić, Emil; Zadro, Krešo; Horvat, Joseph

    The influence of CuFe2O4 nanoparticle doping on superconducting properties of Fe-sheated MgB2 wires has been studied. The wires containing 0, 3 and 7.5 wt.% of monodisperse superparamagnetic nanoparticles (˜7 nm) were sintered at 650°C or 750°C for 1 hour in the pure argon atmosphere. X-ray diffraction patterns of doped samples showed very small maxima corresponding to iron boride and an increase in the fraction of MgO phase indicating some interaction of nanoparticles with Mg and B. Both magnetic and transport measurements (performed in the temperature range 2-42 K and magnetic field up to 16 T) showed strong deterioration of the superconducting properties upon doping with CuFe2O4. The transition temperatures, Tc, of doped samples decreased for about 1.4 K per wt.% of CuFe2O4. Also, the irreversibility fields Birr(T) decreased progressively with increasing doping. Accordingly, also the suppression of Jc with magnetic field became stronger. The observed strong deterioration of superconducting properties of MgB2 wires is at variance with reported enhancement of critical currents at higher temperatures (determined from magnetization) in bulk MgB2 samples doped with Fe3O4 nanoparticles. The probable reason for this discrepancy is briefly discussed

  10. Flux pinning behaviors of Ti and C co-doped MgB2 superconductors

    International Nuclear Information System (INIS)

    Yang, Y.; Zhao, D.; Shen, T.M.; Li, G.; Zhang, Y.; Feng, Y.; Cheng, C.H.; Zhang, Y.P.; Zhao, Y.

    2008-01-01

    Flux pinning behavior of carbon and titanium concurrently doped MgB 2 alloys has been studied by ac susceptibility and dc magnetization measurements. It is found that critical current density and irreversibility field of MgB 2 have been significantly improved by doping C and Ti concurrently, sharply contrasted to the situation of C-only-doped or Ti-only-doped MgB 2 samples. AC susceptibility measurement reveals that the dependence of the pinning potential on the dc applied field of Mg 0.95 Ti 0.05 B 1.95 C 0.05 has been determined to be U(B dc )∝B dc -1 compared to that of MgB 2 U(B dc )∝B dc -1.5 . As to the U(J) behavior, a relationship of U(J) ∝ J -0.17 is found fitting well for Mg 0.95 Ti 0.05 B 1.95 C 0.05 with respect to U(J) ∝ J -0.21 for MgB 2 . All the results reveal a strong enhancement of the high field pinning potential in C and Ti co-doped MgB 2

  11. Microscopic unravelling of nano-carbon doping in MgB2 superconductors fabricated by diffusion method

    International Nuclear Information System (INIS)

    Wong, D.C.K.; Yeoh, W.K.; De Silva, K.S.B.; Kondyurin, A.; Bao, P.; Li, W.X.; Xu, X.; Peleckis, G.; Dou, S.X.; Ringer, S.P.; Zheng, R.K.

    2015-01-01

    Highlights: • First report on nano-carbon doped MgB 2 superconductors synthesized by diffusion method. • Microstructure and superconducting properties of the superconductors are discussed. • B 4 C region blocks the Mg from reacting with B in the 10% nano-carbon doped sample. • MgB 2 with 2.5% nano-carbon doped showed the highest J c , ≈10 4 A/cm 2 for 20 K at 4 T. - Abstract: We investigated the effects of nano-carbon doping as the intrinsic (B-site nano-carbon substitution) and extrinsic (nano-carbon derivatives) pinning by diffusion method. The contraction of the in-plane lattice confirmed the presence of disorder in boron sublattice caused by carbon substitution. The increasing value in full width half maximum (FWHM) in the X-ray diffraction (XRD) patterns with each increment in the doping level reveal smaller grains and imperfect MgB 2 crystalline. The strain increased across the doping level due to the carbon substitution in the MgB 2 matrix. The broadening of the T c curves from low to high doping showed suppression of the connectivity of the bulk samples with progressive dirtying. At high doping, the presence of B 4 C region blocked the Mg from reacting with crystalline B thus hampering the formation of MgB 2 . Furthermore, the unreacted Mg acted as a current blocking phase in lowering down the grain connectivity hence depressing the J c of the 10% nano-carbon doped MgB 2 bulk superconductor

  12. Transport properties and exponential n-values of Fe/MgB2 tapes with various MgB2 particle sizes

    International Nuclear Information System (INIS)

    Lezza, P.; Abaecherli, V.; Clayton, N.; Senatore, C.; Uglietti, D.; Suo, H.L.; Fluekiger, R.

    2004-01-01

    Fe/MgB 2 tapes have been prepared starting with pre-reacted binary MgB 2 powders. As shown by resistive and inductive measurements, the reduction of particle size to a few microns by ball milling has little influence on B c2 , while the superconducting properties of the individual MgB 2 grains are essentially unchanged. Reducing the particle size causes an enhancement of B irr from 14 to 16 T, while J c has considerably increased at high fields, its slope J c (B) being reduced. At 4.2 K, values of 5.3 x 10 4 and 1.2 x 10 3 A/cm 2 were measured at 3.5 and 10 T, respectively, suggesting a dominant role of the conditions at the grain interfaces. A systematic variation of these conditions at the interfaces is undertaken in order to determine the limit of transport properties for Fe/MgB 2 tapes. The addition of 5% Mg to MgB 2 powder was found to affect neither J c nor B c2 . For the tapes with the highest J c values, very high exponential n factors were measured: n=148, 89 and 17 at 3.5, 5 and 10 T, respectively and measurements of critical current versus applied strain have been performed. The mechanism leading to high transport critical current densities of filamentary Fe/MgB 2 tapes based on MgB 2 particles is discussed

  13. A possibility of enhancing Jc in MgB2 film grown on metallic hastelloy tape with the use of SiC buffer layer

    International Nuclear Information System (INIS)

    Putri, W. B. K.; Kang, B.; Ranot, M.; Lee, J. H.; Kang, W. N.

    2014-01-01

    We have grown MgB 2 on SiC buffer layer by using metallic Hastelloy tape as the substrate. Hastelloy tape was chosen for its potential practical applications, mainly in the power cable industry. SiC buffer layers were deposited on Hastelloy tapes at 400, 500, and 600 degrees C by using a pulsed laser deposition method, and then by using a hybrid physical-chemical vapor deposition technique, MgB 2 films were grown on the three different SiC buffer layers. An enhancement of critical current density values were noticed in the MgB 2 films on SiC/Hastelloy deposited at 500 and 600 degrees C. From the surface analysis, smaller and denser grains of MgB 2 tapes are likely to cause this enhancement. This result infers that the addition of SiC buffer layers may contribute to the improvement of superconducting properties of MgB 2 tapes.

  14. Texture gradients in Fe-sheathed ex situ produced MgB2 tapes

    International Nuclear Information System (INIS)

    Lezza, P; Gladyshevskii, R; Abaecherli, V; Fluekiger, R

    2006-01-01

    Superconducting Fe-sheathed MgB 2 monofilamentary tapes have been fabricated by the powder-in-tube technique, varying the particle size of the starting MgB 2 powder and applying either cold or hot rolling during the last deformation process. Measurements of the critical current density J c with the magnetic field applied parallel or perpendicular to the tape surface revealed a pronounced anisotropy for the cold rolled tapes, which was found to increase with increasing particle size and magnetic field strength. The microstructural origin of the J c anisotropy was confirmed by means of x-ray diffraction performed on the filaments after mechanical removal of the sheath. The local texture was studied in a series of diffraction patterns collected at different distances from the filament centre, removing each time some 25 μm of the filament thickness. In the cold rolled tapes, the average orientation of the MgB 2 grains was found to approach a preferred orientation with the crystallographic c-axis perpendicular to the tape surface, near the interface with the sheath; however, the misalignment angle increased towards the centre of the tape. In the hot rolled tapes, for which no J c anisotropy was observed, the grains were found to be approximately randomly oriented. Roughness measurements performed on the side of the Fe sheath in contact with the MgB 2 filament are in agreement with the difference in texture observed for cold and hot rolled tapes

  15. Stress-strain effects on powder-in-tube MgB2 tapes and wires

    International Nuclear Information System (INIS)

    Katagiri, Kazumune; Takaya, Ryuya; Kasaba, Koichi; Tachikawa, Kyoji; Yamada, Yutaka; Shimura, Satoshi; Koshizuka, Naoki; Watanabe, Kazuo

    2005-01-01

    The effects of stress-strain on the critical current, I c , of ex situ powder-in-tube (PIT)-processed Ni-sheathed MgB 2 tapes and round wires as well as in situ PIT-processed Cu-sheathed wires at 4.2 K in a magnetic field up to 5 T have been studied. The effect of In powder addition on the Ni-sheathed MgB 2 wire was not so clear compared with that in the tape, in which the irreversible strain, ε irr , for the I c degradation onset increases significantly by the addition. This is attributed to the difference in the microstructure of the core associated with cold workings. A peak and gradual degradation behaviour of I c with strain beyond ε irr was found in the wire, whereas no evident peak and a steep degradation behaviour was found in the tape. As a possible reason, the difference in the triaxial residual stress state at 4.2 K due to the difference in geometry of the cross-section is suspected. The transverse compression tests revealed that I c of the wire did not degrade up to 270 MPa. Again, the effect of In addition was minimal. The Young's modulus of MgB 2 , 31-41 GPa, at room temperature was estimated by a tensile test of Cu sheath wire using a high-accuracy extensometer and the law of mixtures. The tensile strain dependence of I c in the Cu sheath wire was similar to that in the Ni-sheathed wire, ε irr being 0.4%. However, the stress corresponding to ε irr , 50 MPa, was about 1/10 of that for the Ni-sheath wire and the irreversible transverse compressive stress, 150 MPa, was also lower. The effect of bending strain on the I c in Cu-sheathed wire was compared with that of the tensile strain

  16. Critical current density in MgB2 bulk samples after co-doping with nano-SiC and poly zinc acrylate complexes

    International Nuclear Information System (INIS)

    Zhang, Z.; Suo, H.; Ma, L.; Zhang, T.; Liu, M.; Zhou, M.

    2011-01-01

    SiC and poly zinc acrylate complexes co-doped MgB 2 bulk has been synthesized. Co-doping can cause higher carbon substitutions and the second phase particles. Co-doping can further increase the Jc value of MgB 2 bulk on the base of the SiC doping. The co-doped MgB 2 bulk samples have been synthesized using an in situ reaction processing. The additives is 8 wt.% SiC nano powders and 10 wt.% [(CH 2 CHCOO) 2 Zn] n poly zinc acrylate complexes (PZA). A systematic study was performed on samples doped with SiC or PZA and samples co-doped with both of them. The effects of doping and co-doping on phase formation, microstructure, and the variation of lattice parameters were studied. The amount of substituted carbon, the critical temperature (T c ) and the critical current density (J c ) were determined. The calculated lattice parameters show the decrease of the a-axis, while no obvious change was detected for c-axis parameter in co-doped samples. This indicates that the carbon was substituted by boron in MgB 2 . The amount of substituted carbon for the co-doped sample shows an enhancement compared to that of the both single doped samples. The co-doped samples perform the highest J c values, which reaches 3.3 x 10 4 A/cm 2 at 5 K and 7 T. It is shown that co-doping with SiC and organic compound is an effective way to further improve the superconducting properties of MgB 2 .

  17. Concurrent doping effect of Ti and nano-diamond on flux pinning of MgB2

    International Nuclear Information System (INIS)

    Zhao, Y.; Ke, C.; Cheng, C.H.; Feng, Y.; Yang, Y.; Munroe, P.

    2010-01-01

    Nano-diamond and titanium concurrently doped MgB 2 nanocomposites have been prepared by solid state reaction method. The effects of carbon and Ti concurrent doping on J c -H behavior and pinning force scaling features of MgB 2 have been investigated. Although T c was slightly depressed, J c of MgB 2 have been significantly improved by the nano-diamond doping, especially in the high field region. In the mean time, the J c value in low field region is sustained though concurrent Ti doping. Microstructure analysis reveals that when nano-diamond was concurrently doped with titanium in MgB 2 , a unique nanocomposite in which TiB 2 forms a thin layer surrounding MgB 2 grains whereas nano-diamond particles were wrapped inside the MgB 2 grains. Besides, nano-diamond doping results in a high density stress field in the MgB 2 samples, which may take responsibility for the Δκ pinning behavior in the carbon-doped MgB 2 system.

  18. Mechanical properties and bending strain effect on Cu-Ni sheathed MgB2 superconducting tape

    International Nuclear Information System (INIS)

    Fu, Minyi; Chen, Jiangxing; Jiao, Zhengkuan; Kumakura, H.; Togano, K.; Ding, Liren; Zhang, Yong; Chen, Zhiyou; Han, Hanmin; Chen, Jinglin

    2004-01-01

    The Young's modulus (E) of Cu-Ni sheathed MgB 2 monofilament tape was measured using electric method. It is about 8.05 x 10 10 Pa, the same order of Cu and its alloys. We found that the lower E value of the MgB 2 component seemed to relate to the lower filament density. The benefits of pre-compression in filaments were discussed in terms of improving stress distribution in the wires and tapes during winding and operation of superconducting magnets. The magnetic field dependence of J c was investigated on the sample subjected to various strain levels through bending with different radii at 4.2 K

  19. Doping effects of carbon and titanium on the critical current density of MgB2

    International Nuclear Information System (INIS)

    Shen, T M; Li, G; Cheng, C H; Zhao, Y

    2006-01-01

    MgB 2 bulks doped with Ti or/and C were prepared by an in situ solid state reaction method to determine the combined effect of C and Ti doping and to probe the detailed mechanism. The magnetization measurement shows that Mg 0.95 Ti 0.05 B 1.95 C 0.05 sample has significantly improved flux pinning compared to the MgB 1.95 C 0.05 sample at 20 K, indicating that C and Ti are largely cooperative in improving the J c (H) behaviour. No TiC phase was detected in the x-ray diffraction (XRD) patterns. Moreover, the overlap of the (100) peaks of MgB 1.95 C 0.05 and Mg 0.95 Ti 0.05 B 1.95 C 0.05 showed that Ti doping does not reduce the amount of C in MgB 2 . Microstructural analyses revealed that the addition of Ti eliminated the porosity present in the carbon-doped MgB 2 pellet, resulting in an improved intergrain connectivity and an increase of effective current pass. Further, MgB 2 doped with C and Ti, which mainly consists of spherical grains about 200-300 nm in size, shows an higher grain homogeneity than the C-doped sample, suggesting that the Ti doping in MgB 1-x C x has played an important role in obtaining uniform grains

  20. Correlated vortex pinning in Si-nanoparticle doped MgB2

    OpenAIRE

    Kusevic, I.; Babic, E.; Husnjak, O.; Soltanian, S.; Wang, X. L.; Dou, S. X.

    2003-01-01

    The magnetoresistivity and critical current density of well characterized Si-nanoparticle doped and undoped Cu-sheathed MgB$_{2}$ tapes have been measured at temperatures $T\\geq 28$ K in magnetic fields $B\\leq 0.9$ T. The irreversibility line $B_{irr}(T)$ for doped tape shows a stepwise variation with a kink around 0.3 T. Such $B_{irr}(T)$ variation is typical for high-temperature superconductors with columnar defects (a kink occurs near the matching field $% B_{\\phi}$) and is very different ...

  1. Co-current Doping Effect of Nanoscale Carbon and Aluminum Nitride on Critical Current Density and Flux Pinning Properties of Bulk MgB2 Superconductors

    Science.gov (United States)

    Tripathi, D.; Dey, T. K.

    2018-05-01

    The effect of nanoscale aluminum nitride (n-AlN) and carbon (n-C) co-doping on superconducting properties of polycrystalline bulk MgB2 superconductor has been investigated. Polycrystalline pellets of MgB2, MgB2 + 0.5 wt% AlN (nano), MgB_{1.99}C_{0.01} and MgB_{1.99}C_{0.01} + 0.5 wt% AlN (nano) have been synthesized by a solid reaction process under inert atmosphere. The transition temperature (TC) estimated from resistivity measurement indicates only a small decrease for C (nano) and co-doped MgB2 samples. The magnetic field response of investigated samples has been measured at 4, 10, and 20 K in the field range ± 6 T. MgB2 pellets co-doped with 0.5 wt% n-AlN and 1 wt% n-C display appreciable enhancement in critical current density (J_C) of MgB2 in both low (≥ 3 times), as well as, high-field region (≥ 15 times). J_C versus H behavior of both pristine and doped MgB2 pellets is well explained in the light of the collective pinning model. Further, the normalized pinning force density f_p(= F_p/F_{pmax}) displays a fair correspondence with the scaling procedure proposed by Eisterer et al. Moreover, the scaled data of the pinning force density (i.e., f_p{-}h data) of the investigated pellets at different temperature are well interpreted by a modified Dew-Hughes expression reported by Sandu and Chee.

  2. An innovative technique to synthesize C-doped MgB2 by using chitosan as the carbon source

    International Nuclear Information System (INIS)

    Bovone, G; Kawale, S; Siri, A S; Vignolo, M; Bernini, C

    2014-01-01

    Here, we report a new technique to synthesize carbon-doped MgB 2 powder. Chitosan was innovatively used as the carbon source during the synthesis of boron from boron oxide. This allowed the introduction of local defects, which later on served as pinning centers in MgB 2 , in the boron lattice itself, avoiding the traditional and time consuming ways of ex situ MgB 2 doping (e.g. ball milling). Two volume percentages of C-doping have been tried and its effect on the superconducting properties, evaluated by magnetic and transport measurements, are discussed here. Morphological analysis by scanning electron microscopy revealed nano-metric grains’ distribution in the boron and MgB 2 powder. Mono-filamentary MgB 2 wires have been fabricated by an ex situ powder-in-tube technique by using the thus prepared carbon-doped MgB 2 and pure MgB 2 powders. Transport property measurements on these wires were made and compared with MgB 2 wire produced using commercial boron. (fast track communication)

  3. Superconducting and normal state properties of carbon doped and neutron irradiated MgB2

    International Nuclear Information System (INIS)

    Wilke, R.H.T.; Samuely, P.; Szabo, P.; Holanova, Z.; Bud'ko, S.L.; Canfield, P.C.; Finnemore, D.K.

    2007-01-01

    Current research in MgB 2 focuses on the effects various types of perturbations have on the superconducting properties of this novel two-gap superconductor. In this article we summarize the effects of carbon doping and neutron irradiation in bulk MgB 2 . Low levels of carbon doping and light neutron irradiation result in significant enhancements in H c2 . At high fluences, where superconductivity is nearly fully suppressed, superconductivity can be restored through post exposure annealing. However, this results in a change in the interdependencies of the normal state and superconducting properties (ρ 0 , T c , H c2 ), with little or no enhancement in H c2

  4. Superconductivity, critical current density, and flux pinning in MgB2-x(SiC)x/2 superconductor after SiC nanoparticle doping

    Science.gov (United States)

    Dou, S. X.; Pan, A. V.; Zhou, S.; Ionescu, M.; Wang, X. L.; Horvat, J.; Liu, H. K.; Munroe, P. R.

    2003-08-01

    We investigated the effect of SiC nanoparticle doping on the crystal lattice structure, critical temperature Tc, critical current density Jc, and flux pinning in MgB2 superconductor. A series of MgB2-x(SiC)x/2 samples with x=0-1.0 were fabricated using an in situ reaction process. The contraction of the lattice and depression of Tc with increasing SiC doping level remained rather small most likely due to the counterbalancing effect of Si and C co-doping. The high level Si and C co-doping allowed the creation of intragrain defects and highly dispersed nanoinclusions within the grains which can act as effective pinning centers for vortices, improving Jc behavior as a function of the applied magnetic field. The enhanced pinning is mainly attributable to the substitution-induced defects and local structure fluctuations within grains. A pinning mechanism is proposed to account for different contributions of different defects in MgB2-x(SiC)x/2 superconductors.

  5. In-situ synchrotron x-ray study of MgB2 formation when doped by SiC

    Science.gov (United States)

    Abrahamsen, A. B.; Grivel, J.-C.; Andersen, N. H.; Herrmann, M.; Häßler, W.; Birajdar, B.; Eibl, O.; Saksl, K.

    2008-02-01

    We have studied the evolution of the reaction xMg + 2B + ySiC → zMg1-p(B1-qCq)2 + yMg2Si in samples of 1, 2, 5 and 10 wt% SiC doping. We found a coincident formation of MgB2 and Mg2Si, whereas the crystalline part of the SiC nano particles is not reacting at all. Evidence for incorporation of carbon into the MgB2 phase was established from the decrease of the a-axis lattice parameter upon increasing SiC doping. An estimate of the MgB2 lower limit grain size was found to decrease from L100 = 795 Å and L002 = 337 Å at 1 wt% SiC to L100 = 227 Å and L002= 60 Å at 10 wt% SiC. Thus superconductivity might be suppressed at 10 wt% SiC doping due to the grain size approaching the coherence length.

  6. Superconducting properties of in situ powder-in-tube-processed MgB2 tapes fabricated with sub-micrometre Mg powder prepared by an arc-plasma method

    International Nuclear Information System (INIS)

    Yamada, H; Uchiyama, N; Matsumoto, A; Kitaguchi, H; Kumakura, H

    2007-01-01

    We fabricated in situ powder-in-tube-processed MgB 2 /Fe tapes using sub-micrometre Mg powder prepared by applying an arc-plasma method. We found that the use of this sub-micrometre Mg powder was very effective in increasing the J c values. The transport J c value of 10 mol% SiC-added tapes fabricated with this sub-micrometre Mg powder reached 275 A mm -2 at 4.2 K and 10 T. This value was about six times that of 5 mol% SiC-added tapes fabricated with commercial Mg powder. Microstructure analyses suggest that this J c enhancement is primarily due to the smaller MgB 2 grain size

  7. The effect of citric and oxalic acid doping on the superconducting properties of MgB2

    International Nuclear Information System (INIS)

    Ojha, N; Singla, Rashmi; Varma, G D; Malik, V K; Bernhard, C

    2009-01-01

    In this paper we report the effect of carbon doping on the structural and superconducting properties of MgB 2 using citric and oxalic acids as carbon sources. The bulk polycrystalline samples have been synthesized via a standard solid state reaction route with composition MgB 2 +x wt% of citric and oxalic acids (x = 0, 5 and 10). The x-ray diffraction results reveal the formation of dominantly MgB 2 with only a small amount of impurity phase MgO and substitution of C at the B site of MgB 2 for both dopants. Improvements in the upper critical field (H C2 ), irreversibility field (H irr ) and high field (>2.5 T) critical current density (J C ) have been observed on C doping in the samples. The correlations between superconducting properties and structural characteristics of the samples are described and discussed in this paper.

  8. Comparison between nano-diamond and carbon nanotube doping effects on critical current density and flux pinning in MgB2

    International Nuclear Information System (INIS)

    Cheng, C H; Yang, Y; Munroe, P; Zhao, Y

    2007-01-01

    Doping effects of nano-diamond and carbon nanotubes (CNTs) on critical current density of bulk MgB 2 have been studied. CNTs are found prone to be doped into the MgB 2 lattice whereas nano-diamond tends to form second-phase inclusions in the MgB 2 matrix, leading to a more significant improvement of J c (H) by doping by nano-diamond than by CNTs in MgB 2 . TEM reveals tightly packed MgB 2 nanograins (50-100 nm) with a dense distribution of diamond nanoparticles (10-20 nm) inside MgB 2 grains in nano-diamond-doped samples. Such a unique microstructure leads to a flux pinning behaviour different from that in CNTs-doped MgB 2

  9. Ex-situ manufacturing of SiC-doped MgB2 used for superconducting wire in medical device applications

    Science.gov (United States)

    Herbirowo, Satrio; Imaduddin, Agung; Sofyan, Nofrijon; Yuwono, Akhmad Herman

    2017-02-01

    Magnesium diboride (MgB2) is a superconductor material with a relatively high critical temperature. Due to its relatively high critical temperature, this material is promising and has the potential to replace Nb3Sn for wire superconducting used in many medical devices. In this work, nanoparticle SiC-doped MgB2 superconducting material has been fabricated through an ex-situ method. The doping of nanoparticle SiC by 10 and 15 wt% was conducted to analyze its effect on specific resistivity of MgB2. The experiment was started by weighing a stoichiometric amount of MgB2 and nanoparticles SiC. Both materials were mixed and grounded for 30 minutes by using an agate mortar. The specimens were then pressed into a 6 mm diameter stainless steel tube, which was then reduced until 3 mm through a wire drawing method. X-ray diffraction analysis was conducted to confirm the phase, whereas the superconductivity of the specimens was analyzed by using resistivity measurement under cryogenic magnetic system. The results indicated that the commercial MgB2 showed a critical temperature of 37.5 K whereas the SiC doped MgB2 has critical temperature of 38.3 K.

  10. Nitrogen doping efficiency during vapor phase epitaxy of 4H-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Rowland, L.B.; Brandt, C.D. [Northrop Grumman Science and Technology Center, Pittsburgh, PA (United States); Burk, A.A. Jr. [Northrop Grumman Advanced Technology Lab., Baltimore, MD (United States)

    1998-06-01

    This work examines the interrelationships among doping efficiency, mole fraction, and Si/C ratio for intentional doping of 4H-SiC during vapor phase epitaxy using N{sub 2}. For four Si/C ratios, the doping concentration increased linearly as a function of increasing N{sub 2} partial pressure with a slope of 1.0 {+-} 0.03. Variation of propane mole fraction while the SiH{sub 4} and N{sub 2} mole fractions were kept constant revealed two different modes of nitrogen incorporation, corresponding to carbon-rich and silicon-rich conditions. (orig.) 14 refs.

  11. Production and characterization of compounds based on MgB4O7 for application in dosimetry

    International Nuclear Information System (INIS)

    Souza, Luiza Freire de

    2016-01-01

    Many materials with luminescent properties are used for ionizing radiation dosimetry through the thermoluminescence (TL) and optically stimulated luminescence (OSL) techniques. Detectors based on lithium fluoride (LiF), calcium sulphate (CaSO 4 ) and aluminum oxide (Al 2 O 3 ), doped or codoped with various elements, are the TL or OSL commercial dosimeters most widely used currently. However, several researches are focused to the development of new TL /OSL materials in intention to enhance the dosimetric properties, in view that no TL/OSL dosimeter has all the ideal characteristics for monitoring the radiation. In this context, magnesium tetraborate (MgB 4 O 7 ), which has been presented in the literature as a material for dosimetry TL, was investigated in this work. As there are no reports on the structural characterization of this material or regarding to its applicability on OSL dosimetry, the proposal of the present work was to develop compounds based on MgB 4 O 7 , with different doping, by solid state synthesis. It was made the structural, optical, TL and OSL characterization of the compound to verify it feasibility for application on radiation dosimetry. Initially, it was determined the calcination temperature and time for MgB 4 O 7 formation, with the use of thermal analyses and x ray diffraction. The ideal calcination was found at 900 °C for 7 hours. It were produced , in powder form, the compounds: MgB 4 O 7 , MgB 4 O 7 :Dy, MgB 4 O 7 :Dy,Li, MgB 4 O 7 :Ce, MgB 4 O 7 :Ce,Li, MgB 4 O 7 :Nd and MgB 4 O 7 :Nd,Li. For TL and OSL analyses it were produced pellets sintering at 950 °C for 2 hours. The radioluminescence (RL) analyses of MgB 4 O 7 :Dy and MgB 4 O 7 :Dy,Li shows wavelength emissions at 490, 590, 670 and 760 nm. For MgB 4 O 7 :Ce and MgB 4 O 7 :Ce,Li RL was observed wide emission band in the ultraviolet region. For the MgB 4 O 7 :Nd and MgB 4 O 7 :Nd,Li RL were not observed emission from the ultraviolet to infrared. With the results obtained from

  12. (Zn-doped PVA)/n-4H-SiC (MPS)

    Indian Academy of Sciences (India)

    2018-05-23

    May 23, 2018 ... A comparative study on dielectric behaviours of Au/(Zn-doped. PVA)/n-4H-SiC .... To form MPS structures, the prepared PVA (Zn nanoparticle- doped) ..... 95 2885. [26] MacCallum J R and Vincent C A 1989 Polymer electrolyte.

  13. The reduction of optimal heat treatment temperature and critical current density enhancement of ex situ processed MgB2 tapes using ball milled filling powder

    Science.gov (United States)

    Fujii, Hiroki; Iwanade, Akio; Kawada, Satoshi; Kitaguchi, Hitoshi

    2018-01-01

    The optimal heat treatment temperature (Topt) at which best performance in the critical current density (Jc) property at 4.2 K is obtained is influenced by the quality or reactivity of the filling powder in ex situ processed MgB2 tapes. Using a controlled fabrication process, the Topt decreases to 705-735 °C, which is lower than previously reported by more than 50 °C. The Topt decrease is effective to suppress both the decomposition of MgB2 and hence the formation of impurities such as MgB4, and the growth of crystallite size which decreases upper critical filed (Hc2). These bring about the Jc improvement and the Jc value at 4.2 K and 10 T reaches 250 A/mm2. The milling process also decreases the critical temperature (Tc) below 30 K. The milled powder is easily contaminated in air and thus, the Jc property of the contaminated tapes degrades severely. The contamination can raise the Topt by more than 50 °C, which is probably due to the increased sintering temperature required against contaminated surface layer around the grains acting as a barrier.

  14. Enhanced J c property in nano-SiC doped thin MgB2/Fe wires by a modified in situ PIT process

    International Nuclear Information System (INIS)

    Jiang, C.H.; Nakane, T.; Hatakeyama, H.; Kumakura, H.

    2005-01-01

    A modified in situ PIT process, which included a short time pre-annealing and intermediate drawing step in the conventional in situ PIT process, was employed to fabricate thin round MgB 2 /Fe wires from MgH 2 and B powders. The pores and cracks resulted from the MgH 2 decomposition during the pre-annealing were effectively eliminated by the intermediate drawing step, which subsequently increased the core density and J c property of final heat treated wires. A higher reduction rate after the pre-annealing led to a larger enhancement in J c within this study. The reproducibility of our new process on the J c improvement in MgB 2 wires was confirmed in two series of wires doped with 5 mol% or 10 mol% nano-SiC particles separately

  15. Effect of malic acid doping on the structural and superconducting properties of MgB2

    International Nuclear Information System (INIS)

    Ojha, N.; Sudesh; Stuti Rani; Varma, G.D.

    2010-01-01

    The samples have been prepared via standard solid state reaction route with nominal compositions MgB 2 + x wt% malic acid (x = 0, 5 and 10) by sintering at two different temperatures: 800 and 850 deg C in argon atmosphere. Improvement in upper critical fields (H c2 ) and irreversibility field (H irr ) of doped samples as compared to undoped samples have been observed. At 10 K, critical current densities (J c ) of the 5 and 10 wt% malic acid doped MgB 2 samples sintered at 850 deg C have higher values as compared to undoped sample sintered at the same temperature in the fields greater than 3 T. However, J c values of 5 wt% malic acid doped sample are higher than 10 wt% doped sample in the entire applied field region (0 - 7 T). In case of the samples sintered at 800 deg C improvement in J c values of 5 wt% doped sample have been found in entire field region as compared to undoped sample. On the other hand we see deterioration in J c values of 10 wt% doped samples sintered at 800 deg C as compared to undoped samples sintered at same temperature. The correlations between structural and superconducting properties will be described and discussed in this paper. (author)

  16. Influence of the cooling rate on the main factors affecting current-carrying ability in pure and SiC-doped MgB2 superconductors

    International Nuclear Information System (INIS)

    Shcherbakova, O V; Pan, A V; Soltanian, S; Dou, S X; Wexler, D

    2007-01-01

    We have systematically studied and compared the effect of cooling rate on microstructure, critical current density, upper critical field and irreversibility field in pure and 10 wt% SiC-added MgB 2 superconductors. The sintering process was carried out on the samples at a temperature of 750 deg. C for 1 h followed by quenching or cooling to room temperature in 0.3 h (2433 deg. C h -1 ), 14 h (52 deg. C h -1 ) and 25 h (30 deg. C h -1 ). Changes in the microstructure due to variations in cooling rate have been studied with the help of scanning and transmission electron microscopy. Correlations between microstructure and superconducting properties have been observed, identified and explained for both pure and SiC-added MgB 2 samples. Modifications to the pinning environment and grain boundary transparency are considered to be responsible for variations in the current-carrying ability. The dominant pinning on grain boundaries in the pure MgB 2 samples and on nano-inclusions (inducing accompanying defects) in the SiC-doped samples is clearly distinguished. On the basis of our experimental results, we have concluded that the cooling rate can be an important parameter influencing the superconducting properties of MgB 2 samples

  17. Effects of graphite doping on critical current density and microstructure of MgB2 bulks by an improved Mg-diffusion method

    International Nuclear Information System (INIS)

    Pan, X.F.; Zhao, Y.; Feng, Y.; Yang, Y.; Cheng, C.H.

    2008-01-01

    abstract: A series of graphite-doped MgB 2 bulks with high density have been successfully prepared by an improved Mg-diffusion method in ambient pressure. The effects of graphite doping on lattice parameters, T c , J c and microstructure of MgB 2 have been investigated. The results show that compared to the nano-C-doped or CNTs-doped MgB 2 , C is not easy to substitute B in graphite-doped MgB 2 . However, at the same C content, the graphite-doped MgB 2 has a higher J c . At 10 K and self-field, the J c for MgB 1.985 C 0.015 reaches 0.58 MA/cm 2 . For the MgB 1.945 C 0.055 , at 5 K, 7 T and 10 K, 6 T the J c achieves 10,000 A/cm 2 which is two orders of magnitude higher than that for the undoped sample. In addition to improving electron scattering and intergranular connectivity, the unreacted graphite in the graphite-doped MgB 2 is proposed to be responsible to the excellent J c properties of MgB 2 in high fields, due to depressed grain growth and enhanced grain boundary flux pinning

  18. Effects of carbon concentration and filament number on advanced internal Mg infiltration-processed MgB2 strands

    International Nuclear Information System (INIS)

    Li, G Z; Sumption, M D; Zwayer, J B; Susner, M A; Collings, E W; Rindfleisch, M A; Thong, C J; Tomsic, M J

    2013-01-01

    In this paper we show that an advanced internal Mg infiltration method (AIMI) is effective in producing superconducting wires containing dense MgB 2 layers with high critical current densities. The in-field critical current densities of a series of AIMI-fabricated MgB 2 strands were investigated in terms of C doping levels, heat treatment (HT) time and filament numbers. The highest layer J c for our monofilamentary AIMI strands was 1.5 × 10 5 A cm −2 at 10 T, 4.2 K, when the C concentration was 3 mol% and the strand was heat-treated at 675 ° C for 4 h. Transport critical currents were also measured at 4.2 K on short samples and 1 m segments of 18-filament C doped AIMI strands. The layer J c s reached 4.3 × 10 5 A cm −2 at 5 T and 7.1 × 10 4 A cm −2 at 10 T, twice as high as those of the best powder-in-tube strands. The analysis of these results indicates that the AIMI strands, possessing both high layer J c s and engineering J e s after further optimization, have strong potential for commercial applications. (paper)

  19. Production of thermoluminescent dosemeters based on MgB4O7: Dy and MgB4O7: Tm

    International Nuclear Information System (INIS)

    Souza, Luiza Freire de; Souza, Divanizia N.

    2013-01-01

    The thermoluminescent dosimetry (TL) is a well-established technique for the detection of ionizing radiation in hospitals, clinics, and industrial establishments where there is the need to quantify the radiation. For this practice is require the use phosphors which are sensitive to radiation. Some phosphors are already commonly used in this practice, for example, TLD-100 (LiF: Mg, Ti), CaSO 4 :Tm and CaSO 4 :Dy. A compound that was most recently introduced in dosimetry and has many advantageous features to detect neutrons, electrons and gamma is the magnesium tetraborate (MgB 4 O 7 ), but the undoped material is not good for dosimetry, since signal does not show satisfactory thermoluminescence. The present work presents the analysis of the compound MgB 4 O 7 when doped with rare earth elements, thulium (Tm) and dysprosium (Dy). The production of MgB 4 O 7 : Dy and MgB 4 O 7 : Tm occurred under acidic conditions. Following the process of crystal growth, several tests were made on phosphors produced to verify the quality of materials as TL dosimeter. Initially, was made the identification of the crystalline phases found in the material, using the technique of X-ray diffractometry, and then were evaluated and compared the TL emission curves of the crystals with two different types of dopants, to this, the samples were irradiated with different radiation sources: 137 Cs (0,66 MeV), 60 Co (1.25 MeV) and X-rays (0.41 MeV) and based on the results was evaluated the energy dependence of phosphors. Another characteristic analyzed, was the decay of TL signal for the material (fading). The results show that the material can be an excellent TL dosimeter when doped with rare earth elements Dy and Tm. (author)

  20. MgB sub 2 superconductor: a review

    CERN Document Server

    Mollah, S; Chaudhuri, B K

    2003-01-01

    Synthesis, structure and properties of the most intensively studied newly discovered intermetallic binary superconductor MgB sub 2 have been reviewed up to October, 2002. It has a hexagonal unit cell with cell parameters a approx 3.1432 A and c approx 3.5193 A. MgB sub 2 bulk samples synthesized under high pressure (approx 3.5 GPa) and high temperature (approx 1000 degC) has density approx 2.63 g/cm sup 3. The normal state carriers of MgB sub 2 are holes which have been established from the positive thermoelectric power and Hall coefficient measurements. The external pressure decreases the critical temperature (T sub c) with dT sub c /dP in the range of -1 to -2 K/GPa. The T sub c decreases rapidly by the doping of Mn, Li, Co, C, Al, Ni and Fe but increases slightly by Zn doping. However, no significant change of T sub c is observed by the doping of Si and Be. It is further noticed that the anisotropic ratio gamma(= H sub c sub 2 sup a sup b /H sub c sub 2 sup c) approx 1-5 with lower critical field (H sub c ...

  1. Enhancement of the irreversibility field in bulk MgB2 by TiO2 nanoparticle addition

    DEFF Research Database (Denmark)

    Xu, G.J.; Grivel, Jean-Claude; Abrahamsen, A.B.

    2004-01-01

    MgB2 samples doped with TiO2 nanoparticles were prepared and the effect of TiO2 addition on the superconducting transition temperature (T-c), irreversibility field (H-irr) and critical current density (J(c)) were investigated. It is found that the hexagonal lattice parameters a and c decrease...... with TiO2 doping. Tc decreases gradually from 38.2 to 37.8 K as the TiO2 content increases from 0 to 15 wt%. The H-irr increases at 20 K from 4.3 to 4.9 T as the TiO2 content increases from 0 to 10 wt%, and at the same temperature J(c) increases from 450 to 4250 A/cm(2) at 4.2 T. (C) 2004 Published...

  2. Properties of hot pressed MgB2/Ti tapes

    International Nuclear Information System (INIS)

    Kovac, P.; Husek, I.; Melisek, T.; Fedor, J.; Cambel, V.; Morawski, A.; Kario, A.

    2009-01-01

    Hot axial and hot isostatic pressing was applied for single-core MgB 2 /Ti tapes. Differences in transport current density, n-exponents and critical current anisotropy are discussed and related to the grain connectivity influenced by pressing. The magnetic Hall probe scanning measurements allowed observing the isolated regions for axially hot pressed sample attributed to the longitudinally oriented cracks introduced by pressing. The highest current densities were measured for the tape subjected to hot isostatic pressing due to improved connectivity.

  3. Solid-liquid stable phase equilibria of the ternary systems MgCl2 + MgB6O10+ H2O AND MgSO4 + MgB6O10 + H2O at 308.15 K

    Directory of Open Access Journals (Sweden)

    Lingzong Meng

    2014-03-01

    Full Text Available The solubilities and the relevant physicochemical properties of the ternary systems MgCl2 + MgB6O10 + H2O and MgSO4 + MgB6O10 + H2O at 308.15 K were investigated using an isothermal dissolution method. It was found that there is one invariant point, two univariant curves, and two crystallization regions of the systems. The systems belong to a simple co-saturated type, and neither double salts nor solid solutions were found. Based on the extended HW model and its temperature-dependent equations, the single-salt Pitzer parameters β(0, β(1, β(2 and CØ for MgCl2, MgSO4, and Mg(B6O7(OH6, the mixed ion-interaction parameters θCl,B6O10, θSO4,B6O10, ΨMg,Cl,B6O10, ΨMg,SO4,B6O10 of the systems at 308.15 K were fitted, In addition, the average equilibrium constants of the stable equilibrium solids at 308.15 K were obtained by a method using the activity product constant. Then the solubilities of the ternary systems are calculated. The calculated solubilities agree well with the experimental values.

  4. On heavy carbon doping of MgB2

    International Nuclear Information System (INIS)

    Kasinathan, Deepa; Lee, K.-W.; Pickett, W.E.

    2005-01-01

    Heavy carbon doping of MgB 2 is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(B 1-x C x ) 2 , x 0.0833) and also the coherent potential approximation method that incorporates effects of B-C disorder. For the ordered model, the twofold degenerate σ-bands that are the basis of the high temperature superconductivity are split by 60 meV (i.e. 7 meV/% C) and the σ Fermi cylinders contain 0.070 holes/cell, compared to 0.11 for MgB 2 . A virtual crystal treatment tends to overestimate the rate at which σ holes are filled by substitutional carbon. The coherent potential approximation (CPA) calculations give the same rate of band filling as the supercell method. The occupied local density of states of C is almost identical to that of B in the upper 2 eV of the valence bands, but in the range -8 eV to -2 eV, C has a considerably larger density of states. The calculations indicate that the σ Fermi surface cylinders pinch off at the zone center only above the maximum C concentration x ∼ 0.10. These results indicate that Mg(B 1-x C x ) 2 as well as Mg 1-x Al x B 2 is a good system in which to study the evolution of the unusual electron-phonon coupling character and strength as the crucial σ hole states are filled

  5. Development of MgB2 superconductor wire with high critical current

    International Nuclear Information System (INIS)

    Kim, Chan Joong; Jun, Byung Hyuk; Park, Soon Dong; Kim, Nam Kyu; Kim, Yi Jeong; Yi, Ji Hye; Lee, Ji Hyun; Tan, Kai Sin

    2009-07-01

    The MgB 2 superconductor with smaller grain size could improve its critical properties by providing flux pinning centers with high grain boundary density. The effects of C doping such as charcoal, paper ash and glycerin on the superconducting properties was investigated for in situ processed MgB 2 samples using low purity semi-crystalline B powder. The results show a decrease in Tc and an enhancement of Jc at high fields for the C-doped samples as compared to the un-doped samples. A combined process of a mechanical ball milling and liquid glycerin (C 3 H 8 O 3 ) treatment of B powder has been conducted to enhance the superconducting properties of MgB 2 . The mechanical ball milling was effective for grain refinement, and a lattice disorder was easily achieved by glycerin addition. With the combined process, the critical properties was further increased due to a higher grain boundary density and a greater C substitution. To get fine grain structure of MgB 2 with high critical current properties, mechanical milling for as-received B powder and low temperature solid-state reaction of 550 or 600 .deg. C were attempted to in situ powder-in-tube processed MgB 2 /Fe wires. The critical current properties of the MgB 2 wires using the milled B powder were enhanced due to a smaller grain size and an increased volume of the superconducting phase. The solid-state reaction of a low temperature process for the samples using the milled B powder resulted in a poorer crystallinity with a smaller grain size, which improved superconducting properties. We established the system to measure the transport current properties of the MgB 2 wires. The field dependence of the transport Jc was evaluated for the MgB 2 wires heat-treated at different heat treatment conditions using ball-milled and glycerin-treated B powder. The MgB 2 magnet was developed and the AC loss of MgB 2 wire was also investigated. A conduction cooling device to cool the MgB 2 coil down to 4 K has been fabricated and the

  6. Experimental studies of collisions of excited Li(4p) atoms with C2H4, C2H6, C3H8 and theoretical interpretation of the Li-C2H4 system

    International Nuclear Information System (INIS)

    Semmineh, Natenael; Bililign, Solomon; Hagebaum-Reignier, Denis; Jeung, Gwang-Hi

    2009-01-01

    Collisions of excited Li(4p) states with C 2 H 4 , C 2 H 6 and C 3 H 8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C 2 H 4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C 2 H 4 , C 2 H 6 and C 3 H 8 ) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C 2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied

  7. Fabrication and properties of multifilamentary MgB 2 wires by in-situ powder-in-tube process

    Science.gov (United States)

    Wang, Q. Y.; Jiao, G. F.; Liu, G. Q.; Xiong, X. M.; Yan, S. C.; Zhang, P. X.; Sulpice, A.; Mossang, E.; Feng, Y.; Yan, G.

    2010-11-01

    We have fabricated the long TiC-doped MgB2 wires with 6 filaments by in-situ powder-in-tube method using Nb as the barrier and copper as the stabilizer. To improve the strength of wires, the Nb-core was used as the central filament. The transport engineering critical current density (Jce) of the samples sintered at different temperature were measured, which reaches 2.5 × 104 A/cm2 at 4.2 K, 5 T. 100 m MgB2 wires with different diameter were wound into coils and the transport critical current (Ic) of the coil were measured at 30 K in self-field. The Jce value 100 m coil achieves 1.1 × 104 A/cm2 in 1.2 mm wire. The reasons leading to the enhancement of high field Jce were discussed. The results show a good potential to fabricate high performance MgB2 wires and tapes at ambient pressure on an industrial scale.

  8. Effect of nano-carbon particle doping on the flux pinning properties of MgB2 superconductor

    OpenAIRE

    Soltanian, S.; Horvat, J.; Wang, X. L.; Munroe, P.; Dou, S. X.

    2003-01-01

    Polycrystalline MgB2-xCx samples with x=0.05, 0.1, 0.2, 0.3, 0.4 nano-particle carbon powder were prepared using an in-situ reaction method under well controlled conditions to limit the extent of C substitution. The phases, lattice parameters, microstructures, superconductivity and flux pinning were characterized by XRD, TEM, and magnetic measurements. It was found that both the a-axis lattice parameter and the Tc decreased monotonically with increasing doping level. For the sample doped with...

  9. Estimation of hysteretic losses for MgB2 tapes under the operating conditions of a generator

    Science.gov (United States)

    Vargas-Llanos, Carlos Roberto; Zermeño, Víctor M. R.; Sanz, Santiago; Trillaud, Frederic; Grilli, Francesco

    2016-03-01

    Hysteretic losses in the MgB2 wound superconducting coils of a 550 kW synchronous hybrid scaled generator were estimated as part of the European project SUPRAPOWER led by the Spanish Fundación Tecnalia Research & Innovation. Particular interest was given to the losses caused by the magnetic flux ripples in the rotor coils originating from the conventional stator during nominal operation. To compute these losses, a 2D finite element analysis was conducted and Maxwell’s equations written in the H-formulation were solved considering the nonlinear material properties of the conductor materials. The modeled tapes are made of multiple MgB2 filaments embedded in a Ni matrix and soldered to a high purity copper strip and insulated with Dacron braid. Three geometrical models of single tape cross sections of decreasing complexity were studied: (1) the first model reproduced closely the actual cross section obtained from tape micrographs. (2) The second model was obtained from the computed elasto-plastic deformation of a round Ni wire. (3) The third model was based on a simplified cross section with the superconducting filaments bundled in a single elliptical bulky structure. The last geometry allowed the validation of the modeling technique by comparing numerical losses with results from well-established analytical expressions. Additionally, the following cases of filament transpositions of the multi-filamentary tape were studied: no transposition, partial and full transposition; thereby improving understanding of the relevance of the tape fabrication process on the magnitude of the determination of ac losses. Finally, choosing the right level of geometrical detail, the following operational regimes of the machine and its impact on individual superconducting tape losses in the rotor were studied: bias-dc current, ramping current under ramping background field and magnetic flux ripples under dc background current and field.

  10. Estimation of hysteretic losses for MgB2 tapes under the operating conditions of a generator

    International Nuclear Information System (INIS)

    Vargas-Llanos, Carlos Roberto; Zermeño, Víctor M R; Grilli, Francesco; Sanz, Santiago; Trillaud, Frederic

    2016-01-01

    Hysteretic losses in the MgB 2 wound superconducting coils of a 550 kW synchronous hybrid scaled generator were estimated as part of the European project SUPRAPOWER led by the Spanish Fundación Tecnalia Research and Innovation. Particular interest was given to the losses caused by the magnetic flux ripples in the rotor coils originating from the conventional stator during nominal operation. To compute these losses, a 2D finite element analysis was conducted and Maxwell’s equations written in the H-formulation were solved considering the nonlinear material properties of the conductor materials. The modeled tapes are made of multiple MgB 2 filaments embedded in a Ni matrix and soldered to a high purity copper strip and insulated with Dacron braid. Three geometrical models of single tape cross sections of decreasing complexity were studied: (1) the first model reproduced closely the actual cross section obtained from tape micrographs. (2) The second model was obtained from the computed elasto-plastic deformation of a round Ni wire. (3) The third model was based on a simplified cross section with the superconducting filaments bundled in a single elliptical bulky structure. The last geometry allowed the validation of the modeling technique by comparing numerical losses with results from well-established analytical expressions. Additionally, the following cases of filament transpositions of the multi-filamentary tape were studied: no transposition, partial and full transposition; thereby improving understanding of the relevance of the tape fabrication process on the magnitude of the determination of ac losses. Finally, choosing the right level of geometrical detail, the following operational regimes of the machine and its impact on individual superconducting tape losses in the rotor were studied: bias-dc current, ramping current under ramping background field and magnetic flux ripples under dc background current and field. (paper)

  11. Plasma Synthesized Doped Boron Nanopowder for MgB2 Superconductors

    International Nuclear Information System (INIS)

    Marzik, James V.

    2012-01-01

    Under this program, a process to synthesize nano-sized doped boron powder by a plasma synthesis process was developed and scaled up from 20 gram batches at program start to over 200 grams by program end. Over 75 batches of boron nanopowder were made by RF plasma synthesis. Particle sizes were typically in the 20-200 nm range. The powder was synthesized by the reductive pyrolysis of BCl 3 in hydrogen in an RF plasma. A wide range of process parameters were investigated including plasma power, torch geometry, gas flow rates, and process pressure. The powder-in-tube technique was used to make monofilament and multifilament superconducting wires. MgB 2 wire made with Specialty Materials plasma synthesized boron nanopowder exhibited superconducting properties that significantly exceeded the program goals. Superconducting critical currents, J c , in excess of 10 5 A cm -2 at magnetic fields of 8 tesla were reproducibly achieved. The upper critical magnetic field in wires fabricated with program boron powder were H c2 (0) = 37 tesla, demonstrating the potential of these materials for high field magnet applications. T c in carbon-doped MgB 2 powder showed a systematic decrease with increasing carbon precursor gas flows, indicating the plasma synthesis process can give precise control over dopant concentrations. Synthesis rates increased by a factor of 400% over the course of the program, demonstrating the scalability of the powder synthesis process. The plasma synthesis equipment at Specialty Materials has successfully and reproducibly made high quality boron nanopowder for MgB 2 superconductors. Research and development from this program enabled Specialty Materials to successfully scale up the powder synthesis process by a factor of ten and to double the size of its powder pilot plant. Thus far the program has been a technical success. It is anticipated that continued systematic development of plasma processing parameters, dopant chemistry and concentration, wire

  12. Enhancement of critical current density of in situ processed MgB sub 2 tapes by WB addition

    CERN Document Server

    Fujii, H; Kumakura, H

    2003-01-01

    The effect of tungsten boride (WB) addition on the microstructure and superconducting properties of Fe-sheathed MgB sub 2 tapes has been investigated. The microstructure was not influenced appreciably by the addition, whereas the superconducting properties changed. Even by a 5 mol% addition, the critical temperature (T sub c) decreased by about 0.5 K. However, the field dependence of the inductive critical current density (J sub c sub i) became smaller with the increase in the amount of addition, suggesting that pinning centres effective in a high-field region were possibly introduced. The transport critical current density (J sub c sub t) at 4.2 K increased about twice by the 5 mol% addition and reached 15 and 5 kA cm sup - sup 2 at 8 and 10 T, respectively.

  13. Behaviour of filamentary MgB2 wires subjected to tensile stress at 4.2 K

    International Nuclear Information System (INIS)

    Kováč, P; Kopera, L; Melišek, T; Hušek, I; Rindfleisch, M; Haessler, W

    2013-01-01

    Different filamentary MgB 2 wires have been subjected to tensile stress at 4.2 K. Stress–strain and critical current versus stress and strain characteristics of wires differing by filament architecture, sheath materials, deformation and heat treatment were measured and compared. It was found that the linear increase of critical current due to the pre-compression effect (ranging from 5% up to ≈20%) is affected by thermal expansion and the strength of used metallic sheaths. The values of irreversible strain ε irr and stress σ irr depend dominantly on the applied outer sheath and its final heat treatment conditions. Consequently, the strain-tolerance of MgB 2 wires is influenced by several parameters and it is difficult to see a clear relation between I c (ε) and σ(ε) characteristics. The lowest ε irr was measured for Monel sheathed wires (0.3–0.6%), medium for GlidCop ® sheath (0.48–0.6%), and the highest ε irr = 0.6–0.9% were obtained for MgB 2 wires reinforced by the stainless steel 316L annealed at temperature between 600 and 800 ° C. The highest ε irr = 0.9% and σ irr = 900 MPa were measured for the work-hardened steel, which is not considerably softened by the heat treatment at 600 ° C/2.5 h. (paper)

  14. Al-doped MgB_2 materials studied using electron paramagnetic resonance and Raman spectroscopy

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan

    2016-01-01

    Undoped and aluminum (Al) doped magnesium diboride (MgB_2) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB_2 samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB_2. Above a certain level of Al doping, enhanced conductive properties of MgB_2 disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

  15. The singlet-triplet energy gap in divalent three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn AND Pb

    Directory of Open Access Journals (Sweden)

    E. Vessally

    2009-08-01

    Full Text Available Total energy gaps, ∆Et–s, enthalpy gaps, ∆Ht–s, and Gibbs free energy gaps, ∆Gt–s, between singlet (s and triplet (t states were calculated for three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn and Pb at B3LYP/6-311++G**. The singlet-triplet free energy gaps, ∆Gt–s, for C2H2M (M = C, Si, Ge, Sn and Pb are found to be increased in the order: C2H2Si > C2H2C > C2H2Ge > C2H2Sn > C2H2Pb. The ∆Gt–s of C4H4M are found to be increased in the order: C4H4Pb > C4H4Sn > C4H4Ge > C4H4Si > C4H4C. Also, the ∆Gt–s of C6H6M are determined in the order: C6H6Pb > C6H6Ge ≥ C6H6Sn > C6H6Si > C6H6C. The most stable conformers of C2H2M, C4H4M and C6H6M are proposed for both the singlet and triplet states. Nuclear independent chemical shifts (NICS calculations were carried out for determination of aromatic character. The geometrical parameters are calculated and discussed.

  16. Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB2 superconductor nanomaterials

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan; Acar, Selcuk; Kokal, Ilkin; Häßler, Wolfgang

    2015-01-01

    Undoped and carbon-doped magnesium diboride (MgB 2 ) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB 2 samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp 3 -hybridized carbon radicals were detected. A strong reduction in the critical temperature T c was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra

  17. Evaluation of carbon incorporation and strain of doped MgB2 superconductor by Raman spectroscopy

    International Nuclear Information System (INIS)

    Yeoh, W.K.; Zheng, R.K.; Ringer, S.P.; Li, W.X.; Xu, X.; Dou, S.X.; Chen, S.K.; MacManus-Driscoll, J.L.

    2011-01-01

    Raman spectroscopy is employed to study both the strain and the carbon substitution level in SiC-doped MgB 2 bulk samples. Raman spectroscopy was demonstrated to be a better method to distinguish the individual influences of strain and carbon than standard X-ray diffraction. It is found that the lattice parameter correlation method for C content determination is invalid for highly strained samples. Our result also provides an alternative explanation for lattice variation in non-carbon-doped MgB 2 , which is basically due to lattice strain.

  18. Properties of stabilized MgB2 composite wire with Ti barrier

    International Nuclear Information System (INIS)

    Kovac, P; Husek, I; Melisek, T; Holubek, T

    2007-01-01

    Stabilized four-filament in situ MgB 2 /Ti/Cu/Monel composite wire was produced by the rectangular wire-in-tube (RWIT) technique. 10 wt% of nanosize SiC was added into the Mg-B powder mixture, which was packed into the Ti/Cu and Monel tubes, respectively. The assembled composite was two-axially rolled into wire and/or tape form and sintered at temperatures of 650-850 deg. C/0.5 h. Stabilized MgB 2 wire with Ti barrier is studied in terms of field-dependent transport critical current density, effects of filament size reduction and thermal stability

  19. Magnetic measurements and neutron diffraction study of the layered hybrid compounds Mn(C8H4O4)(H2O)2 and Mn2(OH)2(C8H4O4)

    International Nuclear Information System (INIS)

    Sibille, Romain; Mesbah, Adel; Mazet, Thomas; Malaman, Bernard; Capelli, Silvia; François, Michel

    2012-01-01

    Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ) layered organic–inorganic compounds based on manganese(II) and terephthalate molecules (C 8 H 4 O 4 2− ) have been studied by DC and AC magnetic measurements and powder neutron diffraction. The dihydrated compound behaves as a 3D antiferromagnet below 6.5 K. The temperature dependence of its χT product is typical of a 2D Heisenberg system and allows determining the in-plane exchange constant J≈−7.4 K through the carboxylate bridges. The magnetic structure confirms the in-plane nearest neighbor antiferromagnetic interactions and the 3D ordering. The hydroxide based compound also orders as a 3D antiferromagnet with a higher Néel temperature (38.5 K). Its magnetic structure is described from two antiferromagnetically coupled ferromagnetic sublattices, in relation with the two independent metallic sites. The isothermal magnetization data at 2 K are consistent with the antiferromagnetic ground-state of these compounds. However, in both cases, a slope change points to field-induced modification of the magnetic structure. - Graphical abstract: The macroscopic magnetic properties and magnetic structures of two metal-organic frameworks based on manganese (II) and terephthalate molecules are presented. Highlights: ► Magnetic study of Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ). ► Two compounds with common features (interlayer linker/distance, S=5/2 spin). ► Magnetic measurements quantitatively analyzed to deduce exchange constants. ► Magnetic structures determined from neutron powder diffraction experiments.

  20. Flux pinning and inhomogeneity in magnetic nanoparticle doped MgB2/Fe wires

    Science.gov (United States)

    Novosel, Nikolina; Pajić, Damir; Mustapić, Mislav; Babić, Emil; Shcherbakov, Andrey; Horvat, Joseph; Skoko, Željko; Zadro, Krešo

    2010-06-01

    The effects of magnetic nanoparticle doping on superconductivity of MgB2/Fe wires have been investigated. Fe2B and SiO2-coated Fe2B particles with average diameters 80 and 150 nm, respectively, were used as dopands. MgB2 wires with different nanoparticle contents (0, 3, 7.5, 12 wt.%) were sintered at temperature 750°C. The magnetoresistivity and critical current density Jc of wires were measured in the temperature range 2-40 K in magnetic field B doped wires decreases quite rapidly with doping level (~ 0.5 K per wt.%). This results in the reduction of the irreversibility fields Birr(T) and critical current densities Jc(B,T) in doped samples (both at low (5 K) and high temperatures (20 K)). Common scaling of Jc(B,T) curves for doped and undoped wires indicates that the main mechanism of flux pinning is the same in both types of samples. Rather curved Kramer's plots for Jc of doped wires imply considerable inhomogeneity.

  1. Solvothermal synthesis and characterisation of new one-dimensional indium and gallium sulphides: [C1N4H26]0.5[InS2] and [C1N4H26]0.5[GaS2

    International Nuclear Information System (INIS)

    Vaqueiro, Paz

    2006-01-01

    Two new main group metal sulphides, [C 1 N 4 H 26 ] 0.5 [InS 2 ] (1) and [C 1 N 4 H 26 ] 0.5 [GaS 2 ] (2) have been prepared solvothermally in the presence of 1,4-bis(3-aminopropyl)piperazine and their crystal structures determined by single-crystal X-ray diffraction. Both compounds are isostructural and crystallise in the monoclinic space group P2 1 /n (Z=4), with a=6.5628(5), b=11.2008(9), c=12.6611(9) A and β=94.410(4) o (wR=0.035) for compound (1) and a=6.1094(5), b=11.2469(9), c=12.7064(10) A and β=94.313(4) o (wR=0.021) for compound (2). The structure of [C 1 N 4 H 26 ] 0.5 [MS 2 ] (M=In,Ga) consists of one-dimensional [MS 2 ] - chains which run parallel to the crystallographic a axis and are separated by diprotonated amine molecules. These materials represent the first example of solvothermally prepared one-dimensional gallium and indium sulphides. -- Graphical abstract: [C 1 N 4 H 26 ] 0.5 [InS 2 ] and [C 1 N 4 H 26 ] 0.5 [GaS 2 ], prepared under solvothermal conditions, consist of one-dimensional [MS 2 ] - chains separated by diprotonated 1,4-bis(3-aminopropyl)piperazine molecules

  2. Intraband scattering studies in carbon- and aluminium-doped MgB2

    International Nuclear Information System (INIS)

    Samuely, P.; Szabo, P.; Hol'anova, Z.; Bud'ko, S.; Canfield, P.

    2006-01-01

    Magnetic field effect on the point-contact spectra of the Al- and C-substituted MgB 2 is presented. It is shown that suppression of the π-band contribution to the spectrum is different in the aluminium- and carbon-doped samples. The carbon substitution leads to a stronger enhancement of the π-band scattering while the Al-doping does not change the ratio between the π and σ scatterings

  3. Fast Homoepitaxial Growth of 4H-SiC Films on 4° off-Axis Substrates in a SiH4-C2H4-H2 System

    International Nuclear Information System (INIS)

    Liu Bin; Sun Guo-Sheng; Liu Xing-Fang; Zhang Feng; Dong Lin; Zheng Liu; Yan Guo-Guo; Liu Sheng-Bei; Zhao Wan-Shun; Wang Lei; Zeng Yi-Ping; Wang Zhan-Guo; Li Xi-Guang; Yang Fei

    2013-01-01

    Homoepitaxial growth of 4H-SiC epilayers is conducted in a SiH 4 -C 2 H 4 -H 2 system by low pressure hot-wall vertical chemical vapor deposition (CVD). Thick epilayers of 45 μm are achieved at a high growth rate up to 26 μm/h under an optimized growth condition, and are characterized by using a Normaski optical microscope, a scanning electronic microscope (SEM), an atomic force microscope (AFM) and an x-ray diffractometer (XRD), indicating good crystalline quality with mirror-like smooth surfaces and an rms roughness of 0.9 nm in a 5 μm × 5μm area. The dependence of the 4H-SiC growth rate on growth conditions on 4° off-axis 4H-SiC substrates and its mechanism are investigated. It is found that the H 2 flow rate could influence the surface roughness, while good surface morphologies without Si droplets and epitaxial defects such as triangular defects could be obtained by increasing temperature

  4. Electric Response and Conductivity Mechanism in H3PO4Doped Polybenzimidazole-4N−HfO2 Nanocomposite Membranes for High Temperature Fuel Cells

    International Nuclear Information System (INIS)

    Nawn, Graeme; Vezzù, Keti; Bertasi, Federico; Pagot, Gioele; Pace, Giuseppe; Conti, Fosca; Negro, Enrico

    2017-01-01

    Relaxation and polarization phenomena of phosphoric acid-doped [PBI4N(HfO 2 ) x ](H 3 PO 4 ) y nanocomposite membranes for high-temperature proton-exchange membrane fuel cells are studied using Dynamic Mechanical Analysis (DMA) and Broadband Electrical Spectroscopy (BES). The membranes are obtained by casting combinations of a polybenzimidazole polymer (PBI4N) with increasing amounts of hafnium oxide nanofiller, resulting in [PBI4N(HfO 2 ) x ] hybrid systems with 0 ≤ x ≤ 0.32. Phosphoric acid at varying content levels (0 ÷ 18 wt%) is used as a doping agent, giving rise to [PBI4N(HfO 2 ) x ](H 3 PO 4 ) y membranes. DMA and BES studies lead us to determine that the electric response of the membranes is modulated by polarization phenomena and by α and β dielectric relaxation events of the polymer matrix. Additionally, the experimental results suggest that in [PBI4N(HfO 2 ) x ](H 3 PO 4 ) y membranes the conductivity occurs owing to three conductivity pathways: two mechanisms involving inter-domain proton migration phenomena by “hopping” events; and one mechanism in which proton exchange occurs between delocalization bodies. These results highlight the significant effect of the hafnium oxide nanofiller content on the conductivity of [PBI4N(HfO 2 ) x ](H 3 PO 4 ) y where, at x ≥ 0.04, demonstrates conductivity higher (9.0 × 10 −2 S/cm) than that of pristine H 3 PO 4 -doped PBI4N (4.8 × 10 −2 S/cm) at T ≥ 155 °C.

  5. Experimental study on the 4H-SiC-based VDMOSFETs with lightly doped P-well field-limiting rings termination

    Science.gov (United States)

    He, Yan Jing; Lv, Hong Liang; Tang, Xiao Yan; Song, Qing Wen; Zhang, Yi Meng; Han, Chao; Zhang, Yi Men; Zhang, Yu Ming

    2017-03-01

    A lightly doped P-well field-limiting rings (FLRs) termination on 4H-SiC vertical double-implanted metal-oxide-semiconductor field-effect transistors (VDMOSFETs) has been investigated. Based on the simulation, the proposed termination applied to 4H-SiC VDMOSFET could achieve an almost same breakdown voltage (BV) and have the advantage of lower ion-implantation damage comparing with P+ FLRs termination. Meanwhile, this kind of termination also reduces the difficulty and consumption of fabrication process. 4H-SiC VDMOSFETs with lightly doped P-well (FLRs) termination have been fabricated on 10 μm thick epi-layer with nitrogen doping concentration of 6.2 × 1015 cm-3. The maximum breakdown voltage of the 4H-SiC VDMOSFETs has achieved as high as 1610 V at a current of 15 μA, which is very close to the simulated result of 1643 V and about 90% of the plane parallel breakdown voltage of 1780 V. It is considered that P-well FLRs termination is an effective, robust and process-tolerant termination structure suitable for 4H-SiC VDMOSFET.

  6. Structural and critical current properties in Al-doped MgB2

    International Nuclear Information System (INIS)

    Zheng, D.N.; Xiang, J.Y.; Lang, P.L.; Li, J.Q.; Che, G.C.; Zhao, Z.W.; Wen, H.H.; Tian, H.Y.; Ni, Y.M.; Zhao, Z.X.

    2004-01-01

    A series of Al-doped Mg 1-x Al x B 2 samples have been fabricated and systematic study on structure and superconducting properties have been carried out for the samples. In addition to a structural transition observed by XRD, TEM micrographs showed the existence of a superstructure of double c-axis lattice constant along the direction perpendicular to the boron honeycomb sheet. In order to investigate the effect of Al doping on flux pinning and critical current properties in MgB 2 , measurements on the superconducting transition temperature T c , irreversible field B irr and critical current density J c were performed too, for the samples with the doping levels lower than 0.15 in particular. These experimental observations were discussed in terms of Al doping induced changes in carrier concentration

  7. Enhanced superconducting properties of MgB2 by carbon substitution using carbon containing nano additives

    International Nuclear Information System (INIS)

    Devadas, K.M.; Varghese, Neson; Vinod, K.; Rahul, S.; Thomas, Syju; Anooja, J.B.; Syamaprasad, U.; Sundaresan, A.; Roy, S.B.

    2010-01-01

    A comparative study on the effect of doping of nano carbon, nano diamond and nano SiC in MgB 2 is carried out. The J c (H) is significantly enhanced for all doped samples compared to the pure sample among which MgB 1.9 C 0.1 (nano C) exhibits the best J c (H) performance. The enhanced performance is due to the effective substitution of C at B site which is confirmed by the systematic decrease in both α axis and T c . (author)

  8. Effect of sorbic acid doping on flux pinning in bulk MgB2 with the percolation model

    International Nuclear Information System (INIS)

    Yang, Y.; Cheng, C.H.; Wang, L.; Sun, H.H.; Zhao, Y.

    2010-01-01

    In this paper, we study the doping effect of sorbic acid (C 6 H 8 O 2 ), from 0 to 20 wt.% of the total MgB 2 , on critical temperature (T c ), critical current density (J c ), irreversibility field (H irr ) and crystalline structure. The XRD patterns of samples show a slightly decrease in a-axis lattice parameter for doped samples, due to the partial substitution of carbon at boron site. On the other hand, we investigate the influence of doping on the behavior of flux pinning and J c (B) in the framework of percolation theory and it is found that the J c (B) behavior could be well fitted in high field region. The two key parameters, anisotropy and percolation threshold, play very important roles. It is believed that the enhancement of J c is due to the reduction of anisotropy in high field region.

  9. Negative effects of crystalline-SiC doping on the critical current density in Ti-sheathed MgB2(SiC)y superconducting wires

    International Nuclear Information System (INIS)

    Liang, G; Fang, H; Luo, Z P; Hoyt, C; Yen, F; Guchhait, S; Lv, B; Markert, J T

    2007-01-01

    Ti-sheathed MgB 2 wires doped with nanosize crystalline-SiC up to a concentration of 15 wt% SiC have been fabricated, and the effects of the SiC doping on the critical current density (J c ) and other superconducting properties studied. In contrast with the previously reported results that nano-SiC doping with a doping range below 16 wt% usually enhances J c , particularly at higher fields, our measurements show that SiC doping decreases J c over almost the whole field range from 0 to 7.3 T at all temperatures. Furthermore, it is found that the degradation of J c becomes stronger at higher SiC doping levels, which is also in sharp contrast with the reported results that J c is usually optimized at doping levels near 10 wt% SiC. Our results indicate that these negative effects on J c could be attributed to the absence of significant effective pinning centres (mainly Mg 2 Si) due to the high chemical stability of the crystalline-SiC particles

  10. Synthesis, crystal growth and structure of Mg containing β-rhombohedral boron: MgB17.4

    International Nuclear Information System (INIS)

    Adasch, Volker; Hess, Kai-Uwe; Ludwig, Thilo; Vojteer, Natascha; Hillebrecht, Harald

    2006-01-01

    For the first time, single crystals of Mg containing β-rhombohedral boron MgB 17.4 were synthesised from the elements in a Mg/Cu melt at 1600deg. C. The crystal structure determined by the refinement of single crystal data (space group R-3m, a=10.991(2)A, c=24.161(4)A, 890 reflections, 123 variables, R 1 (F)=0.049, wR 2 (I)=0.122) improves and modifies the former structure model derived from earlier investigations on powder samples. Mg is located on four different positions with partial occupation. While the occupation of the sites D (53.3%), E (91%) and F (7.2%) is already known from other boron-rich borides related to β-rhombohedral boron, the occupation of the fourth position (18h, 6.7%) is observed for the first time. Two boron positions show partial occupation. The summation reveals the composition MgB 17.4 and Mg 5.85 B 101.9 , respectively, confirmed by WDX measurements. The single crystals of MgB 17.4 show the highest Mg content ever found. Preliminary measurements indicate no superconductivity

  11. Improved flux pinning behaviour in bulk MgB2 achieved by nano-SiO2 addition

    International Nuclear Information System (INIS)

    Rui, X F; Zhao, Y; Xu, Y Y; Zhang, L; Sun, X F; Wang, Y Z; Zhang, H

    2004-01-01

    Bulk MgB 2 with SiO 2 nanoparticles added has been synthesized using a simple solid-state reaction route. The lattice constant in the c direction increases with additive content due to a small amount of Si being doped into the lattice of the MgB 2 ; however, T c is almost fixed at 37.2 K. The addition of SiO 2 nanoparticles also improves the J c -H and H irr -T characteristics of MgB 2 when the additive content is lower than 7%. At 20 K and 1 T, J c for the sample with 7% additive content reaches 2.5 x 10 5 A cm -2 . Microstructural analysis reveals that a high density of MgSi 2 nanoparticles (10-50 nm) exists inside the MgB 2 grains, leading to the formation of a nanocomposite superconductor

  12. Characterization of N-doped multilayer graphene grown on 4H-SiC (0001)

    International Nuclear Information System (INIS)

    Arezki, Hakim; Jaffré, Alexandre; Alamarguy, David; Alvarez, José; Kleider, Jean-Paul; Boutchich, Mohamed; Ho, Kuan-I; Lai, Chao-Sung

    2015-01-01

    Large-area graphene film doped with hetero-atoms is of great interest for a wide spectrum of nanoelectronics applications, such as field effect devices, super capacitors, fuel cells among many others. Here, we report the structural and electronic properties of nitrogen doped multilayer graphene on 4H-SiC (0001). The incorporation of nitrogen during the growth causes an increase in the D band on the Raman signature indicating that the nitrogen is creating defects. The analysis of micro-Raman mapping of G, D, 2D bands shows a predominantly trilayer graphene with a D band inherent to doping and inhomogeneous dopant distribution at the step edges. Ultraviolet photoelectron spectroscopy (UPS) indicates an n type work function (WF) of 4.1 eV. In addition, a top gate FET device was fabricated showing n-type I-V characteristic after the desorption of oxygen with high electron and holes mobilities

  13. Hydrogen Storage Characteristics of CNT doped NaAlH4

    International Nuclear Information System (INIS)

    Pukazhselvan, D.; Sterlin Leo Hudson, M.; Bipin Kumar Gupta; Srivastava, O.N.

    2006-01-01

    The current Hydrogen based energy infrastructure required a high energy density consumer friendly hydrogen storage media. Although the desired goals for the hydrogen fueled vehicular transport has not yet met by any hydrogen storage material, complex Sodium Alanate is said to be a promising candidate under this demand due to its high hydrogen storage capacity and the thermodynamically permissible reversible hydrogen storage capacity. However its poor sorption behavior under moderate conditions (NaAlH 4 →Na 3 AlH 6 ; 3.7 wt % vs 50 hrs at ∼170 C and Na 3 AlH 6 →NaH; 1.85 wt % vs 30 hrs at ∼220 C) urges their limited uses in ages. But these limitations can be removed by using catalysts particularly transition elements but the location of catalyst in NaAlH 4 matrix and the possible mechanism is not yet clearly understood. The aim of the present investigation is to improve the overall sorption characteristics of NaAlH 4 by a new light weighted high surface area (1315 sq mtr/gm) material (CNT) admixing and to obtain a best doping level to NaAlH 4 . So far only Ti has been attempted as a suitable catalyst. It is believed that the high surface area of CNT can provide an additional solid-gas (H 2 ) surface/interface and it can produce thermal contact between grains (thermal conductivity Kth of MWCNT: 3000 w/k and Kth of NaAlH 4 : 0.32 w/k) for stimulating their thermally activated dissociation in NaAlH 4 . In parallel with this approach XRD of NaAlH 4 reveals that there was no change in lattice structure after doping by CNT, SEM picture depicts that CNT precipitation in grain surfaces. Catalytic concentration of various mole % of x values finds that x = 8 is the best doping level as it gives 3.3 wt % of hydrogen within 2 hrs. The comparative sorption behavior with Ti:NaAlH 4 also shows CNTs as an optimum alternative catalyst to NaAlH 4 and besides this CNT doped desorbed ingredients shown good re-hydrogenation behavior(3.7 wt % at 8. cycle and 4.2 wt % maximum at

  14. Enhancing the superconducting temperature of MgB2 by SWCNT dilution

    Science.gov (United States)

    Ma, Danhao; Jayasingha, Ruwantha; Hess, Dustin T.; Adu, Kofi W.; Sumanasekera, Gamini U.; Terrones, Mauricio

    2014-02-01

    We report, for the first time, an increase in the superconducting critical temperature, TC of commercial “dirty” MgB2 by a nonsubstitutional hole-doping of the MgB2 structure using minute, single-wall carbon nanotube (SWCNT) inclusions. We varied the SWCNTs concentration from 0.05 wt% to 5 wt% and investigated the temperature-dependent resistivity from 10 K to 300 K. We used micro-Raman spectroscopy, field-emission scanning electron microscopy, and X-ray diffraction to analyze the interfacial interactions between the SWCNTs and the MgB2 grains. We obtained an increase in TC from 33.0 to 37.8 K (ΔTC+=4.8 K), which is attributed to charge transfer from the MgB2 structure to the SWCNT structure. The charge transfer phenomenon is confirmed by micro-Raman analysis of the phonon states of the SWCNT tangential band frequency in the composites. We determined the charge transfer per carbon atom to be 0.0023/C, 0.0018/C and 0.0008/C for 0.05 wt%, 0.5 wt% and 5 wt% SWCNT inclusions, respectively, taking into account the contributions from the softening of the lattice constant and the nonadiabatic (dynamic) effects at the Fermi level. This report provides an experimental, alternative pathway to hole-doping of MgB2 without appealing to chemical substitution.

  15. Enhanced electrochemical properties of F-doped Li2MnSiO4/C for lithium ion batteries

    Science.gov (United States)

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

    2018-02-01

    The Li2MnSiO4 as a novel cathode material for lithium ion batteries, performs high specific capacity, high thermal stability, low cost and etc. However, it suffers from relatively low electronic conductivity and lithium ion diffusion rate. Herein, we successfully introduce fluorine to Li2MnSiO4 (Li2MnSiO4-xFx, x = 0.00, 0.01, 0.03 and 0.05) to overcome these obstacles. The results show that F doping not only enlarges the lattice parameters but also decreases the particle size, synergistically improving the lithium ion diffusion of Li2MnSiO4. Moreover, F doping increase electronic conductivity of Li2MnSiO4/C by inhibiting the formation of C-O bonds in the carbon layers. Meanwhile, F doping improves the crystallinity and stabilizes the crystal structure of Li2MnSiO4. Finally, the Li2MnSiO3.97F0.03/C with the best electrochemical performances delivers the initial specific discharge capacity of 279 mA h g-1 at 25mA g-1 current density from 1.5 V to 4.8 V. Also, it maintains a higher capacity (201 mA h g-1) than F-free Li2MnSiO4 (145 mA h g-1) after 50 cycles.

  16. The system Ba(H2PO4)2-Sr(H2PO4)2-H3PO4(30%)-H2O at 25, 40 and 60 deg C

    International Nuclear Information System (INIS)

    Taranenko, N.P.; Serebrennikova, G.M.; Stepin, B.D.; Oboznenko, Yu.V.

    1982-01-01

    The system Ba(H 2 PO 4 ) 2 -Sr(H 2 PO 4 ) 2 -H 3 PO 4 (30%)-H 2 O (25 deg C) belongs to eutonic type systems. Solubility isotherms of salt components at 40 and 60 deg C are calculated. Polytherms (25-60 deg C) of solubility of monosubstituted barium and strontium phosphates in 30-60% H 3 PO 4 are obtained. The value of cocrystallization coefficient of Sr 2 + and Ba(H 2 PO 4 ) 2 Dsub(Sr)=0.042+-0.005 remains stable in the temperature range of 25-60 deg C and concentrations 30-60% phosphoric acid at initial content [Sr 2 + ]=1x10 - 2 mass%

  17. Convenient synthesis of Mn-doped Zn (O,S) nanoparticle photocatalyst for 4-nitrophenol reduction

    Science.gov (United States)

    Susanto Gultom, Noto; Abdullah, Hairus; Kuo, Dong-Hau

    2018-04-01

    The conversion of 4-nitrophenol as a toxic and waste pollutant to 4-aminophenol as a non-toxic and useful compound by photocatalytic reduction is highly important. In this work, the solid-solution concept by doping was involved to synthesis earth-abundant and green material of Mn-doped Zn(O,S). Zn(O,S) with different Mn doping contents was easily synthesized at low temperature 90°C for 4-NP reduction without using the reducing agent of NaBH4. The Mn-doped Zn(O,S) catalyst exhibited the enhancements in optical and electrochemical properties compared to un-doped Zn(O,S).It was found that 10% Mn-doped Zn(O,S) had the best properties and it could totally reduce 4-NP after 2h photoreactions under low UV illumination. The hydrogen ion was proposed to involve the 4-NP reduction to 4-AP, which is hydrogen ion and electron replaced the oxygen in amino (NO2) group of 4-NP to form the nitro (NH2) group. We alsoproposed the incorporation of Mn in Zn site in the Zn(O,S) host lattice could make the oxygen surface bonding weak for easily forming the oxygen vacancy. The more oxygen vacancy for more hydrogen ion would be generated to consume for 4-NP reduction.

  18. Cooperative doping effects of Ti and nano-SiC on transport critical current density and grain connectivity of in situ MgB{sub 2} tapes

    Energy Technology Data Exchange (ETDEWEB)

    Pan, X.F., E-mail: PAN.Xifeng@nims.go.jp [National Institute for Materials Science, Superconducting Materials Research Center, 1-2-1, Sengen, Tsukuba, Ibaraki 305-0047 (Japan)] [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Southwest Jiaotong University, Chengdu 610031 (China); Matsumoto, A.; Kumakura, H. [National Institute for Materials Science, Superconducting Materials Research Center, 1-2-1, Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Cheng, C.H.; Zhao, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Southwest Jiaotong University, Chengdu 610031 (China)] [School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)

    2011-11-15

    We studied the cooperative doping effects of Ti and nano-SiC on transport J{sub c} and grain connectivity of MgB{sub 2} tape. Ti doping significantly weakens the current dependence of T{sub c} of MgB{sub 2} tapes at self-field, and does not change T{sub c} or slightly increases T{sub c}. Further Ti adding can enhance in-field J{sub c} performance of SiC doped MgB{sub 2} tapes by a factor of 50-100% at 4.2 K and 10 T. Ti addition improves the J{sub c} performance of undoped and SiC doped MgB{sub 2} by modifying their grains connection. By now, nano-SiC powder (20-30 nm) is still the most effective additive for improving upper critical field and critical current density of MgB{sub 2}-based superconducting materials. However, some decomposed carbon aggregates at grain boundaries and results in serious weak-links of MgB{sub 2} grains, and these weak-links limit the further improvement of critical current density, J{sub c} of MgB{sub 2}, especially at lower fields. Ti doping is reported to increase the compactness of MgB{sub 2}, and modify its intergranular coupling by forming ultrathin TiB{sub 2} layer at grain boundaries. In this work, we studied the cooperative doping effects of Ti and nano-SiC on transport J{sub c} and grain connectivity of MgB{sub 2} and the possibility to improve transport J{sub c} of SiC doped MgB{sub 2} by introducing Ti additive. The results suggest the Ti addition can obviously improve J{sub c} of MgB{sub 2} at lower fields and also enhance the J{sub c} of SiC doped MgB{sub 2} by improving their grain connectivity which shows serious intergranular weak-links.

  19. Ball-milling and AlB2 addition effects on the hydrogen sorption properties of the CaH2 + MgB2 system

    International Nuclear Information System (INIS)

    Schiavo, B.; Girella, A.; Agresti, F.; Capurso, G.; Milanese, C.

    2011-01-01

    Research highlights: → Calcium hydride + magnesium-aluminum borides as candidates for hydrogen storage. → Long time ball milling improves hydrogen sorption kinetics of the CaH 2 +MgB 2 system. → Coexistence of MgB 2 and AlB 2 does not improve hydrogen sorption performances. → Total substitution of MgB 2 with AlB 2 improves the system kinetics and reversibility. → Below 400 deg. C almost the full hydrogen capacity of the CaH 2 + AlB 2 system is reached. - Abstract: Among the borohydrides proposed for solid state hydrogen storage, Ca(BH 4 ) 2 is particularly interesting because of its favourable thermodynamics and relatively cheap price. Composite systems, where other species are present in addition to the borohydride, show some advantages in hydrogen sorption properties with respect to the borohydrides alone, despite a reduction of the theoretical storage capacity. We have investigated the milling time influence on the sorption properties of the CaH 2 + MgB 2 system from which Ca(BH 4 ) 2 and MgH 2 can be synthesized by hydrogen absorption process. Manometric and calorimetric measurements showed better kinetics for long time milled samples. We found that the total substitution of MgB 2 with AlB 2 in the starting material can improve the sorption properties significantly, while the co-existence of both magnesium and aluminum borides in the starting mixture did not cause any improvement. Rietveld refinements of the X-ray powder diffraction spectra were used to confirm the hypothesized reactions.

  20. Structural and critical current properties in Al-doped MgB 2

    Science.gov (United States)

    Zheng, D. N.; Xiang, J. Y.; Lang, P. L.; Li, J. Q.; Che, G. C.; Zhao, Z. W.; Wen, H. H.; Tian, H. Y.; Ni, Y. M.; Zhao, Z. X.

    2004-08-01

    A series of Al-doped Mg 1- xAl xB 2 samples have been fabricated and systematic study on structure and superconducting properties have been carried out for the samples. In addition to a structural transition observed by XRD, TEM micrographs showed the existence of a superstructure of double c-axis lattice constant along the direction perpendicular to the boron honeycomb sheet. In order to investigate the effect of Al doping on flux pinning and critical current properties in MgB 2, measurements on the superconducting transition temperature Tc, irreversible field Birr and critical current density Jc were performed too, for the samples with the doping levels lower than 0.15 in particular. These experimental observations were discussed in terms of Al doping induced changes in carrier concentration.

  1. 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. 1400 V 4H-SiC power MOSFETs

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, A.K.; Casady, J.B.; Rowland, L.B.; Valek, W.F.; Brandt, C.D. [Northrop Grumman Sci. and Technol. Center, Pittsburgh, PA (United States)

    1998-08-01

    Silicon carbide (4H-SiC), power U-metal-oxide-semiconductor field-effect transistors (UMOSFETs) were fabricated and characterized from room temperature to 200 C. The devices had a 12 {mu}m thick lightly doped n-type drift layer, and a nominal channel length of 4 {mu}m. When tested under Fluorinert{sup TM} at room temperature, blocking voltages ranged from 1.3 kV to 1.4 kV. Effective channel mobility ranged from 1.5 cm{sup 2}/V.s at room temperature with a gate bias of 32 V (oxide field {proportional_to} 3.5 MV/cm) up to 7 cm{sup 2}/V.s at 100 C with an applied gate bias of 26 V (oxide field {proportional_to} 2.9 MV/cm). Specific on-resistance (R{sub on,sp}) was calculated to be as low as 74 m{Omega}.cm{sup 2} at 100 C under the same gate bias. Fowler-Nordheim measurements with positive gate bias on actual UMOS devices indicated thermionic field injection at elevated temperatures. (orig.) 8 refs.

  3. [H3N(CH2)4NH3]2[Al4(C2O4)(H2PO4)2(PO4)4].4[H2O]: A new layered aluminum phosphate-oxalate

    International Nuclear Information System (INIS)

    Peng Li; Li Jiyang; Yu Jihong; Li Guanghua; Fang Qianrong; Xu Ruren

    2005-01-01

    A new layered inorganic-organic hybrid aluminum phosphate-oxalate [H 3 N(CH 2 ) 4 NH 3 ] 2 [Al 4 (C 2 O 4 )(H 2 PO 4 ) 2 (PO 4 ) 4 ].4[H 2 O](AlPO-CJ25) has been synthesized hydrothermally, by using 1,4-diaminobutane (DAB) as structure-directing agent. The structure has been solved by single-crystal X-ray diffraction analysis and further characterized by IR, 31 P MAS NMR, TG-DTA as well as compositional analyses. Crystal data: the triclinic space group P-1, a=8.0484(7) A, b=8.8608(8) A, c=13.2224(11) A, α=80.830(6) deg. , β=74.965(5) deg. , γ=78.782(6) deg. , Z=2, R 1[ I >2 σ ( I )] =0.0511 and wR 2(alldata) =0.1423. The alternation of AlO 4 tetrahedra and PO 4 tetrahedra gives rise to the four-membered corner-sharing chains, which are interconnected through AlO 6 octahedra to form the layered structure with 4,6-net sheet. Interestingly, oxalate ions are bis-bidentately bonded by participating in the coordination of AlO 6 , and bridging the adjacent AlO 6 octahedra. The layers are held with each other through strong H-bondings between the terminal oxygens. The organic ammonium cations and water molecules are located in the large cavities between the interlayer regions. -- Graphical abstract: The alternation of AlO 4 tetrahedra and PO 4 tetrahedra gives rise to the four-membered corner-sharing chains, which are interconnected through AlO 6 octahedra to form the layered structure with 4,6-net sheet. Oxalate ions are bis-bidentately boned by participating in the coordination of AlO 6 , and bridging the adjacent AlO 6 octahedra

  4. Ferromagnetism in 4H-GaN polytype doped by non-magnetic light elements Li, Be, B, C, O, F, Ne, Na, and Mg: Ab-initio study

    International Nuclear Information System (INIS)

    Torrichi, M.; Ferhat, M.; Bouhafs, B.

    2016-01-01

    Using density-functional theory within the generalized-gradient approximation, we explore the magnetic behavior induced by nonmagnetic impurity X atoms, such as Li, Be, B, C, O, F, Ne, Na, and Mg on cation site in 4H-GaN polytype. The results reveal that Ne doped 4H-GaN has the highest magnetic moment of 3µ B , whereas Mg doped 4H-GaN has the lowest magnetic moment of 0.75µ B . Among the systems studied 4H-GaN doped Ne has been found to be half-metallic, whereas 4H-GaN doped F and Na are found to be nearly half-metallic. The partial density of states evidence that magnetism is achieved through a p-p like coupling between the impurity and the host 2p states. Furthermore, we inspect whether there exists a relationship between the spin-polarization and the local structure around the doping X atoms. It is found that for all the compounds studied, the total magnetic moment increases with increasing the X–N bond lengths. Interestingly, 4H-GaN:Be becomes ferromagnetic with increasing the Be–N bond length, whereas 4H-GaN:Na and 4H-GaN:F become half-metallic with increasing Na–N and F–N bond lengths. - Highlights: • The partial densities of states of 4H-GaN polytype doped light nonmagnetic elements have been investigated. • We found that 4H-GaN:Ne is half metallic. • We found that N atoms induced strong local magnetic. • We found that doping with half-filled X-s impurity states promotes ferromagnetism. • We found that doping with full-filled X-s impurity annihilates ferromagnetism.

  5. Enhanced visible-light photocatalytic decomposition of 2,4-dichlorophenoxyacetic acid over ZnIn_2S_4/g-C_3N_4 photocatalyst

    International Nuclear Information System (INIS)

    Qiu, Pengxiang; Yao, Jinhua; Chen, Huan; Jiang, Fang; Xie, Xianchuan

    2016-01-01

    Highlights: • A novel flower-on-sheet ZnIn_2S_4/g-C_3N_4 nanocomposite was synthesized. • ZnIn_2S_4/g-C_3N_4 showed high visible light catalytic activity for 2,4-D degradation. • The photocatalytic degradation pathway of 2,4-D was investigated. - Abstract: ZnIn_2S_4/g-C_3N_4 heterojunction photocatalyst was successfully synthesized via a simple hydrothermal method and applied to visible-light photocatalytic decomposition of 2,4-dichlorophenoxyacetic acid (2,4-D) from aqueous phase. The flower-like ZnIn_2S_4 particles were dispersed on the surface of g-C_3N_4 nanosheets in the ZnIn_2S_4/g-C_3N_4 composite. The composite showed higher separation rate of electron-hole pairs as compared to ZnIn_2S_4 and g-C_3N_4. Consequently, the ZnIn_2S_4/g-C_3N_4 composite exhibited enhanced visible light photocatalytic decomposition efficiency of 2,4-D, within 20% ZnIn_2S_4/g-C_3N_4 composite owning the highest photocatalytic efficiency and initial rate. The initial rates of 2,4-D degradation on g-C_3N_4, ZnIn_2S_4, and 20% ZnIn_2S_4/g-C_3N_4 were 1.23, 0.57 and 3.69 mmol/(g_c_a_t h), respectively. The h"+ and O_2"·"− were found to be the dominant active species for 2,4-D decomposition. The photocatalytic degradation pathways of 2,4-D by ZnIn_2S_4/g-C_3N_4 under visible light irradiation were explored. The ZnIn_2S_4/g-C_3N_4 composite displayed high photostability in recycling tests, reflecting its promising potential as an effective visible light photocatalyst for 2,4-D treatment.

  6. Thin film electroluminescent cells on the basis of Ce-doped CaGa2S4 and SrGa2S4 prepared by flash evaporation method

    International Nuclear Information System (INIS)

    Gambarov, E.; Bayramov, A.; Kato, A.; Iida, S.

    2006-01-01

    Ce-doped CaGa 2 S 4 and SrGa 2 S 4 thin film electroluminescent (TFEL) devices were prepared for the first time on the basis of films deposited by flash evaporation method. Significant crystallization, stoichiometry improvement of the films and increase of photoluminescence intensity were found after annealing in H 2 S and O 2 gas stream. EL spectra of the cells exhibited the characteristic double-band emission similar to that seen for Ce 3+ activated CaGa 2 S 4 and SrGa 2 S 4 films under photon excitation. Applied voltage and frequency dependences of the electroluminescence were studied. Low voltage operation as low as 20 V was observed for these cells. Luminance of about 4 cd/m 2 at 100 V operating voltage with 2.5 kHz frequency was achieved for the TFEL cell with films annealed in O 2 gas stream. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Structure determination of two structural analogs, named 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) by synchrotron X-ray powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betül

    2017-12-01

    Two novel compounds, 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) (1) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) (2), have been designed and synthesized as cytotoxic agents. The compounds were characterized by infrared, proton nuclear magnetic resonance, mass spectral data, elemental analysis and X-ray powder diffraction. The present study comprises spectral data and crystal structures of these novel compounds determined from synchrotron X-ray powder diffraction data. The structure solutions were obtained by simulated annealing. The final structures were achieved by Rietveld refinement using soft restraints for all bond lengths, bond angles, and planar groups. Both compounds crystallize in space groupS0885715617001105_inline1' mime-subtype='gif' type='simple'/>$P\\bar 1$,Z= 2, with the unit-cell parametersa= 6.37433(9),b= 11.3641(2),c= 14.09115(19) Å,α= 80.1740(8)°,β= 85.1164(8)°,γ= 80.9831(10)°,V= 991.55(3) Å3of compound (1) anda= 6.53736(6),b= 11.55725(15),c= 14.01373(13) Å,α= 80.3323(7)°,β= 84.8939(6)°,γ= 79.3954(8)°,V= 1024.08(2) Å3of compound (2). Structural analyses reveal that the title compounds are isostructural.

  8. Systems Li2B4O7 (Na2B4O7, K2B4O7)-N2H3H4OH-H2O at 25 deg C

    International Nuclear Information System (INIS)

    Skvortsov, V.G.; Sadetdinov, Sh.V.; Akimov, V.M.; Mitrasov, Yu.N.; Petrova, O.V.; Klopov, Yu.N.

    1994-01-01

    Phase equilibriums in the Li 2 B 4 O 7 (Na 2 B 4 O 7 , K 2 B 4 O 7 )-N 2 H 3 H 4 OH-H 2 O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM 2 B 4 O 7 ·nN 2 H 3 C 2 H 4 OH·XH 2 O, where M=Li, Na with hydrazine ethanol. K 2 B 4 O 7 ·4H 2 O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods

  9. 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

  10. Synthesis and electrochemical properties of Ti4+ doped Li3-xFe2-xTix(PO4)3/C cathode materials

    International Nuclear Information System (INIS)

    Liu Zhanqiang; Huang Fuqiang; Sun Junkang

    2011-01-01

    Highlights: → Li 3-x Fe 2-x Ti x (PO 4 ) 3 /C composite cathodes were prepared by ball-milling method. Ti-doping can improve the electrochemical property of Li 3 Fe 2 (PO 4 ) 3 . → The optimized doping level was found to be x = 0.2. → The second phase of LiTi 2 (PO 4 ) 3 will emerge if the doping level higher than 0.2. - Abstract: Li 3-x Fe 2-x Ti x (PO 4 ) 3 /C (x = 0-0.4) cathodes designed with Fe doped by Ti was studied. Both Li 3 Fe 2 (PO 4 ) 3 /C (x = 0) and Li 2.8 Fe 1.8 Ti 0.2 (PO 4 ) 3 /C (x = 0.2) possess two plateau potentials of Fe 3+ /Fe 2+ couple (around 2.8 V and 2.7 V vs. Li + /Li) upon discharge observed from galvanostatic charge/discharge and cyclic voltammetry. Li 2.8 Fe 1.8 Ti 0.2 (PO 4 ) 3 /C has higher reversibility and better capacity retention than that of the undoped Li 3 Fe 2 (PO 4 ) 3 /C. A much higher specific capacity of 122.3 mAh/g was obtained at C/20 in the first cycle, approaching the theoretical capacity of 128 mAh/g, and a capacity of 100.1 mAh/g was held at C/2 after the 20th cycle.

  11. Atmospheric pressure route to epitaxial nitrogen-doped trilayer graphene on 4H-SiC (0001) substrate

    International Nuclear Information System (INIS)

    Boutchich, M.; Arezki, H.; Alamarguy, D.; Güneş, F.; Alvarez, J.; Kleider, J. P.; Ho, K.-I.; Lai, C. S.; Sediri, H.; Ouerghi, A.

    2014-01-01

    Large-area graphene film doped with nitrogen is of great interest for a wide spectrum of nanoelectronics applications, such as field effect devices, super capacitors, and fuel cells among many others. Here, we report on the structural and electronic properties of nitrogen doped trilayer graphene on 4H-SiC (0001) grown under atmospheric pressure. The trilayer nature of the growth is evidenced by scanning transmission electron microscopy. X-ray photoelectron spectroscopy shows the incorporation of 1.2% of nitrogen distributed in pyrrolic-N, and pyridinic-N configurations as well as a graphitic-N contribution. This incorporation causes an increase in the D band on the Raman signature indicating that the nitrogen is creating defects. Ultraviolet photoelectron spectroscopy shows a decrease of the work function of 0.3 eV due to the N-type doping of the nitrogen atoms in the carbon lattice and the edge defects. A top gate field effect transistor device has been fabricated and exhibits carrier mobilities up to 1300 cm 2 /V s for holes and 850 cm 2 /V s for electrons at room temperature

  12. EDX and ion beam treatment studies of filamentary in situ MgB2 wires with Ti barrier

    International Nuclear Information System (INIS)

    Rosova, A.; Kovac, P.; Husek, I.; Kopera, L.

    2011-01-01

    Highlights: → SiC-doped MgB 2 wires with Ti barrier showed good Jc in magnetic field. → Explanation why the Ti barrier fits to SiC-doped MgB 2 filaments. → Ti barrier getters Si from SiC-doped filaments and improve their properties. → Si accumulated in an inner layer of Ti barrier protects filaments from Cu diffusion. → Ion beam treatment helps to discover microstructure of complicated systems. - Abstract: In situ SiC-doped filamentary MgB 2 wires (with the diameter of 0.860 and 0.375 mm) with Cu stabilization separated by Ti barrier layers supported by outer SS sheath and annealed at 800 deg. C/0.5 h have been studied by combination of EDX analysis and ion beam selective etching. It was found that several Ti-Cu inter-metallic compounds were created by Cu-Ti interdiffusion and thus the barrier protection against Cu penetration into the superconducting filaments is limited. We showed an advantage of Ti use as the barrier material in our wires. Ti getters silicon out from the superconducting filament, what purges superconducting MgB 2 from Si and creates an additional Si-rich layer in inner part of Ti barrier which prevents Cu diffusion more effectively.

  13. Disproportionation and thermochemical sulfate reduction reactions in S-H20-Ch4 and S-D2O-CH4 systems from 200 to 340 °C at elevated pressures

    Science.gov (United States)

    Yuan, Shunda; Chou, I-Ming; Burruss, Robert A.

    2013-01-01

    Elemental sulfur, as a transient intermediate compound, by-product, or catalyst, plays significant roles in thermochemical sulfate reduction (TSR) reactions. However, the mechanisms of the reactions in S-H2O-hydrocarbons systems are not clear. To improve our understanding of reaction mechanisms, we conducted a series of experiments between 200 and 340 °C for S-H2O-CH4, S-D2O-CH4, and S-CH4-1m ZnBr2 systems in fused silica capillary capsules (FSCC). After a heating period ranging from 24 to 2160 hours (hrs), the quenched samples were analyzed by Raman spectroscopy. Combined with the in situ Raman spectra collected at high temperatures and pressures in the S-H2O and S-H2O-CH4 systems, our results showed that (1) the disproportionation of sulfur in the S-H2O-CH4 system occurred at temperatures above 200 °C and produced H2S, SO42-, and possibly trace amount of HSO4-; (2) sulfate (and bisulfate), in the presence of sulfur, can be reduced by methane between 250 and 340 °C to produce CO2 and H2S, and these TSR temperatures are much closer to those of the natural system (2O-CH4 system may take place simultaneously, with TSR being favored at higher temperatures; and (4) in the system S-D2O-CH4, both TSR and the competitive disproportionation reactions occurred simultaneously at temperatures above 300 °C, but these reactions were very slow at lower temperatures. Our observation of methane reaction at 250 °C in a laboratory time scale suggests that, in a geologic time scale, methane may be destroyed by TSR reactions at temperatures > 200 °C that can be reached by deep drilling for hydrocarbon resources.

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

    Science.gov (United States)

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

    2018-02-01

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

  15. Electrical properties of SiO{sub 2}/SiC interfaces on 2°-off axis 4H-SiC epilayers

    Energy Technology Data Exchange (ETDEWEB)

    Vivona, M., E-mail: marilena.vivona@imm.cnr.it [CNR-IMM, Strada VIII, n. 5 – Zona Industriale, I-95121 Catania (Italy); Fiorenza, P. [CNR-IMM, Strada VIII, n. 5 – Zona Industriale, I-95121 Catania (Italy); Sledziewski, T.; Krieger, M. [Friedrich-Alexander-University (FAU) Erlangen-Nuremberg, Department of Physics, Staudtstrasse 7/Bld. A3, D-91058 Erlangen (Germany); Chassagne, T.; Zielinski, M. [NOVASiC, Savoie Technolac, BP267, F-73375 Le Bourget-du-Lac Cedex (France); Roccaforte, F. [CNR-IMM, Strada VIII, n. 5 – Zona Industriale, I-95121 Catania (Italy)

    2016-02-28

    Graphical abstract: - Highlights: • Processing and electrical characterization of MOS capacitors fabricated on 4H-SiC epilayers grown on 2°-off axis heavily doped substrates. • Excellent characteristics of the SiO{sub 2}/4H-SiC interface in terms of flatness, interface state density and oxide reliability. • Electrical behavior of the MOS devices comparable with that obtained for the state-of-the-art of 4°-off axis 4H-SiC material. • Demonstration of the maturity of the 2°-off axis material for application in 4H-SiC MOSFET device technology. - Abstract: In this paper, the electrical properties of the SiO{sub 2}/SiC interface on silicon carbide (4H-SiC) epilayers grown on 2°-off axis substrates were studied. After epilayer growth, chemical mechanical polishing (CMP) allowed to obtain an atomically flat surface with a roughness of 0.14 nm. Metal-oxide-semiconductor (MOS) capacitors, fabricated on this surface, showed an interface state density of ∼1 × 10{sup 12} eV{sup −1} cm{sup −2} below the conduction band, a value which is comparable to the standard 4°-off-axis material commonly used for 4H-SiC MOS-based device fabrication. Moreover, the Fowler–Nordheim and time-zero-dielectric breakdown analyses confirmed an almost ideal behavior of the interface. The results demonstrate the maturity of the 2°-off axis material for 4H-SiC MOSFET device fabrication.

  16. 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

  17. Unique bar-like sulfur-doped C3N4/TiO2 nanocomposite: Excellent visible light driven photocatalytic activity and mechanism study

    Science.gov (United States)

    Zhao, Yu; Xu, Shiping; Sun, Xiang; Xu, Xing; Gao, Baoyu

    2018-04-01

    In this work, a nanocomposite of TiO2 nanoparticles coupled with sulfur-doped C3N4 (S-C3N4) laminated layer was successfully fabricated using a facile impregnation method and the nanocomposite exhibited superior photocatalytic activity in pollutant removal under visible light irradiation, compared to bare TiO2, g-C3N4 and binary C3N4-TiO2 nanocomposite. The enhanced photocatalytic activity was benefited from the efficient migration and transformation of electron-hole (e--h+) pairs, improved visible light absorption capability, and relatively large specific surface area induce by sulfur doping. Interestingly, the introduction of sulfur changes regulated the morphology of g-C3N4 leading to the formation of ultrathin g-C3N4 layer nanosheet assemblies and unique bar-like g-C3N4/TiO2 nanocomposite, which is beneficial for the outstanding performance of the product. In addition, trapping experiment was carried out to identify the main active species in the photocatalytic reaction over the S-C3N4/TiO2 photocatalyst, and functional mechanism of the composite was proposed. This work may provide new ideas for the fabrication and utilization of highly efficient photocatalyst with excellent visible light response in environmental purification applications.

  18. Effects of rapid thermal annealing on structural, chemical, and electrical characteristics of atomic-layer deposited lanthanum doped zirconium dioxide thin film on 4H-SiC substrate

    International Nuclear Information System (INIS)

    Lim, Way Foong; Quah, Hock Jin; Lu, Qifeng; Mu, Yifei; Ismail, Wan Azli Wan; Rahim, Bazura Abdul; Esa, Siti Rahmah; Kee, Yeh Yee; Zhao, Ce Zhou

    2016-01-01

    Graphical abstract: - Highlights: • Studies of RTA temperatures on La doped ZrO2 atomic layer deposited on 4HSiC. • Oxygen vacancies improved insulating and catalytic properties of La doped ZrO2. • 700 °C annealed sample showed the highest EB, k value, and sensitivity on O2. • La doped ZrO2 was proposed as a potential metal reactive oxide on 4H-SiC. - Abstract: Effects of rapid thermal annealing at different temperatures (700–900 °C) on structural, chemical, and electrical characteristics of lanthanum (La) doped zirconium oxide (ZrO_2) atomic layer deposited on 4H-SiC substrates have been investigated. Chemical composition depth profiling analysis using X-ray photoelectron spectroscopy (XPS) and cross-sectional studies using high resolution transmission electron microscopy equipped with energy dispersive X-ray spectroscopy line scan analysis were insufficient to justify the presence of La in the investigated samples. The minute amount of La present in the bulk oxide was confirmed by chemical depth profiles of time-of-flight secondary ion mass spectrometry. The presence of La in the ZrO_2 lattice led to the formation of oxygen vacancies, which was revealed through binding energy shift for XPS O 1s core level spectra of Zr−O. The highest amount of oxygen vacancies in the sample annealed at 700 °C has yielded the acquisition of the highest electric breakdown field (∼ 6.3 MV/cm) and dielectric constant value (k = 23) as well as the highest current–time (I–t) sensor response towards oxygen gas. The attainment of both the insulating and catalytic properties in the La doped ZrO_2 signified the potential of the doped ZrO_2 as a metal reactive oxide on 4H-SiC substrate.

  19. Tungsten phosphanylarylthiolato complexes [W{PhP(2-SC6H4)2-kappa3S,S',P} 2] and [W{P(2-SC6H4)3-kappa4S,S',S",P}2]: synthesis, structures and redox chemistry.

    Science.gov (United States)

    Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie

    2008-09-14

    PhP(2-SHC6H4)2 (PS2H2) reacts with WCl6 with reduction of tungsten to give the air-sensitive tungsten(IV) complex [W{PhP(2-SC6H4)2-kappa(3)S,S',P}2] (1). 1 is oxidised in air to [WO{PhPO(2-SC6H4)2-kappa(3)S,S',O}{PhP(2-SC6H4)2-kappa(3)S,S',P}] (2). The attempted synthesis of 2 by reaction of 1 with iodosobenzene as oxidising agent was unsuccessful. [W{P(2-SC6H4)3-kappa(4)S,S',S",P}2] (3) was formed in the reaction of P(2-SHC6H4)3 (PS3H3) with WCl6. The W(VI) complex 3 contains two PS3(3-) ligands, each coordinated in a tetradentate fashion resulting in a tungsten coordination number of eight. The reaction of 3 with AgBF4 yields the dinuclear tungsten complex [W2{P(2-SC6H4)3-kappa(4)S,S',S",P}3]BF4 (4). Complexes 1-4 were characterised by spectral methods and X-ray structure determination.

  20. Modelling of phase equilibria in CH4C2H6–C3H8–nC4H10–NaCl–H2O systems

    International Nuclear Information System (INIS)

    Li, Jun; Zhang, Zhigang; Luo, Xiaorong; Li, Xiaochun

    2015-01-01

    Highlights: • A new model was established for the phase equilibria of C1–C2C3–nC4–brine systems. • The model can reproduce of hydrocarbon–brine equilibria to high T&P and salinity. • The model can well predict H 2 O solubility in light hydrocarbon rich phases. - Abstract: A thermodynamic model is presented for the mutual solubility of CH 4C 2 H 6 –C 3 H 8 –nC 4 H 10 –brine systems up to high temperature, pressure and salinity. The Peng–Robinson model is used for non-aqueous phase fugacity calculations, and the Pitzer model is used for aqueous phase activity calculations. The model can accurately reproduce the experimental solubilities of CH 4 , C 2 H 6 , C 3 H 8 and nC 4 H 10 in water or NaCl solutions and H 2 O solubility in the non-aqueous phase. The experimental data of mutual solubility for the CH 4 –brine subsystem are sufficient for temperatures exceeding 250 °C, pressures exceeding 1000 bar and NaCl molalities greater than 6 molal. Compared to the CH 4 –brine system, the mutual solubility data of C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine are not sufficient. Based on the comparison with the experimental data of H 2 O solubility in C 2 H 6 -, C 3 H 8 - or nC 4 H 10 -rich phases, the model has an excellent capability for the prediction of H 2 O solubility in hydrocarbon-rich phases, as these experimental data were not used in the modelling. Predictions of hydrocarbon solubility (at temperatures up to 200 °C, pressures up to 1000 bar and NaCl molalities greater than 6 molal) were made for the C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine systems. The predictions suggest that increasing pressure generally increases the hydrocarbon solubility in water or brine, especially in the lower-pressure region. Increasing temperature usually decreases the hydrocarbon solubility at lower temperatures but increases the hydrocarbon solubility at higher temperatures. Increasing water salinity dramatically decreases

  1. Etch pit investigation of free electron concentration controlled 4H-SiC

    Science.gov (United States)

    Kim, Hong-Yeol; Shin, Yun Ji; Kim, Jung Gon; Harima, Hiroshi; Kim, Jihyun; Bahng, Wook

    2013-04-01

    Etch pits were investigated using the molten KOH selective etching method to examine dependence of etch pit shape and size on free electron concentration. The free electron concentrations of highly doped 4H-silicon carbide (SiC) were controlled by proton irradiation and thermal annealing, which was confirmed by a frequency shift in the LO-phonon-plasmon-coupled (LOPC) mode on micro-Raman spectroscopy. The proton irradiated sample with 5×1015 cm-2 fluence and an intrinsic semi-insulating sample showed clearly classified etch pits but different ratios of threading screw dislocation (TSD) and threading edge dislocation (TED) sizes. Easily classified TEDs and TSDs on proton irradiated 4H-SiC were restored as highly doped 4H-SiC after thermal annealing due to the recovered carrier concentrations. The etched surface of proton irradiated 4H-SiC and boron implanted SiC showed different surface conditions after activation.

  2. 3-Ethyl-4-[(E-(4-fluorobenzylideneamino]-1H-1,2,4-triazole-5(4H-thione

    Directory of Open Access Journals (Sweden)

    Alphonsus D'souza

    2012-05-01

    Full Text Available In the title compound, C11H11FN4S, the dihedral angle between the 1,2,4-triazole ring and the benzene ring is 25.04 (12° and an intramoleuclar C—H...S interaction leads to an S(6 ring. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds generate R22(8 loops.

  3. High yield and facile microwave-assisted synthesis of conductive H_2SO_4 doped polyanilines

    International Nuclear Information System (INIS)

    Gizdavic-Nikolaidis, Marija R.; Jevremovic, Milutin M.; Milenkovic, Maja; Allison, Morgan C.; Stanisavljev, Dragomir R.; Bowmaker, Graham A.; Zujovic, Zoran D.

    2016-01-01

    The microwave-assisted synthesis of polyaniline (PANI) was performed using ammonium persulphate (APS) as oxidizing agent in 0.5 M–2.5 M concentration range of aqueous sulphuric acid (H_2SO_4) at 93 W applied microwave power of 10 min duration. The microwave (MW) synthesized PANIs had 3 times higher yield in comparison to PANI samples prepared using a classical method, CS (0 W MW power) at the same temperature for 10 min synthesis duration period. Fourier Transform Infrared (FTIR) and UV–Vis spectroscopies confirmed the formation of PANI structure in all products. The influence of H_2SO_4 acid dopant on the spin concentration of MW and CS H_2SO_4 doped PANI samples were examined by EPR spectroscopy, while the morphological characteristics were investigated by using scanning electron microscopy (SEM). XRD results showed amorphous phases in both MW and CS H_2SO_4 doped PANI samples. Conductivity measurements revealed ∼1.5 times higher conductivity values for MW H_2SO_4 doped PANI samples in comparison with PANI samples prepared by the CS method under same condition. The influence of sulfate anion in comparison to chloride anion as a dopant on morphological, dopant levels and conductivity properties of MW PANI samples were also investigated. - Highlights: • Nanoporous microwave synthesized doped polyanilines as chemical sensor material. • Morphology and physical properties of polyanilines depend on acid concentration. • Spin concentration is determined by the nature of the polyaniline synthesis.

  4. Synthesis, crystal structure, and spectroscopic characterization of trans-bis[(mu-1,3-bis(4-pyridyl)propane)(mu-(3-thiopheneacetate-O))(3-thiopheneacetate-O)]dicopper(II), [[Cu2(O2CCH2C4H3S)4mu-(BPP)2

    Science.gov (United States)

    Marinho, Maria Vanda; Yoshida, Maria Irene; Guedes, Kassilio J; Krambrock, Klaus; Bortoluzzi, Adailton J; Hörner, Manfredo; Machado, Flávia C; Teles, Wagner M

    2004-02-23

    From the reaction between a dinuclear paddle-wheel carboxylate, namely [Cu2mu-(O2CCH2C4H3S)4] (1), and the flexible ligand 1,3-bis(4-pyridyl)propane (BPP) a neutral 2-D coordination polymer [[Cu2(O2CCH2C4H3S)4mu-(BPP)2

  5. Polymeric anionic networks using dibromine as a crosslinker; the preparation and crystal structure of [(C4H9)4N]2[Pt2Br10].(Br2)7 and [(C4H9)4N]2[PtBr4Cl2].(Br2)6.

    Science.gov (United States)

    Berkei, Michael; Bickley, Jamie F; Heaton, Brian T; Steiner, Alexander

    2002-09-21

    The reaction of M[PtX3(CO)] (M+ = [(C4H9)4N]+, X = Br, Cl) with an excess of Br2 gives the new platinum(IV) salts, [(C4H9)4N]2[Pt2Br10].(Br2)7, 1, and [(C4H9)4N]2[PtBr4Cl2].(Br2)6, 2, which, in the solid state, contain strong Br Br interactions resulting in the formation of polymeric networks; they could provide useful solid storage reservoirs for elemental bromine.

  6. Ultrafine Nanocrystalline CeO2@C-Containing NaAlH4 with Fast Kinetics and Good Reversibility for Hydrogen Storage.

    Science.gov (United States)

    Zhang, Xin; Liu, Yongfeng; Wang, Ke; Li, You; Gao, Mingxia; Pan, Hongge

    2015-12-21

    A nanocrystalline CeO2@C-containing NaAlH4 composite is successfully synthesized in situ by hydrogenating a NaH-Al mixture doped with CeO2@C. Compared with NaAlH4 , the as-prepared CeO2@C-containing NaAlH4 composite, with a minor amount of excess Al, exhibits significantly improved hydrogen storage properties. The dehydrogenation onset temperature of the hydrogenated [NaH-Al-7 wt % CeO2@C]-0.04Al sample is 77 °C lower than that of the pristine sample because of a reduced kinetic barrier. More importantly, the dehydrogenated sample absorbs ∼4.7 wt % hydrogen within 35 min at 100°C and 10 MPa of hydrogen. Compositional and structural analyses reveal that CeO2 is converted to CeH2 during ball milling and that the newly formed CeH2 works with the excess of Al to synergistically improve the hydrogen storage properties of NaAlH4. Our findings will aid in the rational design of novel catalyst-doped complex hydride systems with low operating temperatures, fast kinetics, and long-term cyclability. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. 5-(4-Ethoxyphenyl-3-(pyridin-2-yl-4,5-dihydro-1H-pyrazole-1-carbothioamide

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2012-03-01

    Full Text Available In the title compound, C17H18N4OS, a pyrazoline derivative, the pyrazoline ring adopts an envelope conformation with the C atom bonded to the benzene ring as the flap atom. The dihedral angle between the pyridine and benzene rings is 80.50 (6°. The ethoxyphenyl group is approximately planar, with an r.m.s. deviation of 0.0238 (1 Å for the nine non-H atoms. In the crystal, molecules are linked by N—H...O and N—H...S hydrogen bonds into a tape along the b axis. Weak C—H...N and C—H...π interactions are also observed.

  8. Destabilized LiBH4-NaAlH4 Mixtures Doped with Titanium Based Catalysts

    DEFF Research Database (Denmark)

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

    2008-01-01

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

  9. Thermal analysis, phase equilibria, and superconducting properties in magnesium boride and carbon doped magnesium boride

    Science.gov (United States)

    Bohnenstiehl, Scot David

    In this work, the low temperature synthesis of MgB2 from Mg/B and MgH2/B powder mixtures was studied using Differential Scanning Calorimetry (DSC). For the Mg/B powder mixture, two exothermic reaction events were observed and the first reaction event was initiated by the decomposition of Mg(OH)2 on the surface of the magnesium powder. For the MgH 2/B powder mixture, there was an endothermic event at ˜375 °C (the decomposition of MgH2 into H2 and Mg) and an exothermic event ˜600 °C (the reaction of Mg and B). The Kissinger analysis method was used to estimate the apparent activation energy of the Mg and B reaction using DSC data with different furnace ramp rates. The limitations of MgB2 low temperature synthesis led to the development of a high pressure induction furnace that was constructed using a pressure vessel and an induction heating power supply. The purpose was to not only synthesize more homogeneous MgB2 samples, but also to determine whether MgB2 melts congruently or incongruently. A custom implementation of the Smith Thermal Analysis method was developed and tested on aluminum and AlB2, the closest analogue to MgB2. Measurements on MgB2 powder and a high purity Mg/B elemental mixture confirmed that MgB2 melts incongruently and decomposes into a liquid and MgB4 at ˜1445 °C at 10 MPa via peritectic decomposition. Another measurement using a Mg/B elemental mixture with impure boron suggested that ˜0.7 wt% carbon impurity in the boron raised the incongruent melting temperature to ˜1490-1500 °C. Lastly, the solubility limit for carbon in MgB2 was studied by making samples from B4C and Mg at 1530 °C, 1600 °C and 1700 °C in the high pressure furnace. All three samples had three phases: Mg, MgB2C2, and carbon doped MgB2. The MgB 2C2 and carbon doped MgB2 grain size increased with temperature and the 1700 °C sample had needle-like grains for both phases. The presence of the ternary phase, MgB2C2, suggested that the maximum doping limit for carbon in

  10. Superconductivity in palladium-doped 2H-TaS2

    Science.gov (United States)

    Zhou, M. H.; Li, X. C.; Dong, C.

    2018-06-01

    A series of Pd x TaS2 (0.01 ≤ x ≤ 0.08) samples were prepared and characterized via scanning electron microscope, x-ray powder diffraction, resistivity, magnetization and specific heat measurements. The lattice parameter c associated with the interlayer distance increases monotonically with the Pd content while the parameter a remains essentially constant. The crystal structure of Pd0.08TaS2 has been determined and refined by Rietveld refinement. Pd0.08TaS2 is hexagonal (space group: P31c) with lattice parameters a = 3.3151(1) Å, c = 12.1497(9) Å. The superconducting transition temperature T c (0.8 K) of TaS2 can be dramatically enhanced by Pd doping, and the maximum T c of 4.2 K, about five times the T c of pure TaS2, is obtained in Pd0.04TaS2. We have determined the superconducting parameters of Pd0.04TaS2, and found that the enhancement of T c can be attributed to the increase of density of states at the Fermi level. The charge density wave (CDW) of TaS2 is gradually suppressed with Pd doping and disappears in Pd0.06TaS2. This suggests that there is a competitive interplay between superconductivity and CDW in this system.

  11. Alkali/TX sub 2 catalysts for CO/H sub 2 conversion to C sub 1 -C sub 4 alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R. G.; Bastian, R.

    1990-01-01

    The objective of this research is to investigate and develop novel catalysts for the conversion of coal-derived synthesis gas into C{sub 1}-C{sub 4} alcohols by a highly selective process. Therefore, the variations of catalyst activity and selectivity for the synthesis of alcohols from H{sub 2}/CO {le}1 synthesis gas for a series of A/TX{sub 2} compounds, where A is a surface alkali dopant, T is a transition metal, and X ia a S, Se, or Te, will be determined. This quarter, a fresh batch of MoS{sub 2} was synthesized, and new Cs/MoS{sub 2} catalysts were prepared by alkali doping and were tested to demonstrate that the preparation and testing procedures were reproducible by different personnel. Preparations of RuS{sub 2} and Cs/RuS{sub 2} catalysts were initiated, and the preparations and testing of these catalysts will be described in the next quarterly report. 2 refs., 1 fig., 1 tab.

  12. New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

    International Nuclear Information System (INIS)

    Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

    2012-01-01

    Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

  13. Novel 2D or 3D alkaline-earth metal sulfonate-phosphonates based on [O 3S-C 2H 4-PO 3H] 2- ligand

    Science.gov (United States)

    Du, Zi-Yi; Wen, He-Rui; Xie, Yong-Rong

    2008-11-01

    Three novel alkaline-earth metal sulfonate-phosphonates based on [O 3S-C 2H 4-PO 3H] 2- ligand, namely, [Ca(O 3SC 2H 4PO 3H)(H 2O) 2] ( 1), [Sr(O 3SC 2H 4PO 3H)] ( 2) and [Ba 2(O 3SC 2H 4PO 3H) 2] ( 3), have been synthesized by hydrothermal reactions. They represent the first structurally characterized alkaline-earth metal complexes of phosphonic acid attached with a sulfonate group. The structure of compound 1 features a 2D layer based on 1D chains of [Ca 2(PO 3) 2] bridged by -CH 2-CH 2-SO 3- groups. Compounds 2 and 3 show pillar-layer architecture based on two different inorganic layers linked by -CH 2-CH 2- groups. The inorganic layer in compound 2 features a 1D chain of edge-sharing SrO 8 polyhedra whereas that in compound 3 features an edge-sharing Ba 2O 14 di-polyhedral unit which is further corner-shared with four neighboring ones. The [O 3S-C 2H 4-PO 3H] 2- ligand shows diverse coordination modes in the three alkaline-earth metal sulfonate-phosphonates.

  14. Effects of disorder on the intrinsically hole-doped iron-based superconductor KC a2F e4A s4F2 by cobalt substitution

    Science.gov (United States)

    Ishida, Junichi; Iimura, Soshi; Hosono, Hideo

    2017-11-01

    In this paper, the effects of cobalt substitution on the transport and electronic properties of the recently discovered iron-based superconductor KC a2F e4A s4F2 , with Tc=33 K , are reported. This material is an unusual superconductor showing intrinsic hole conduction (0.25 holes /F e2 + ). Upon doping of Co, the Tc of KC a2(Fe1-xC ox) 4A s4F2 gradually decreased, and bulk superconductivity disappeared when x ≥0.25 . Conversion of the primary carrier from p type to n type upon Co-doping was clearly confirmed by Hall measurements, and our results are consistent with the change in the calculated Fermi surface. Nevertheless, neither spin density wave (SDW) nor an orthorhombic phase, which are commonly observed for nondoped iron-based superconductors, was observed in the nondoped or electron-doped samples. The electron count in the 3 d orbitals and structural parameters were compared with those of other iron-based superconductors to show that the physical properties can be primarily ascribed to the effects of disorder.

  15. Direct measurements of rate constants for the reactions of CH3 radicals with C2H6, C2H4, and C2H2 at high temperatures.

    Science.gov (United States)

    Peukert, S L; Labbe, N J; Sivaramakrishnan, R; Michael, J V

    2013-10-10

    The shock tube technique has been used to study the reactions CH3 + C2H6 → C2H4 + CH4 + H (1), CH3 + C2H4 → Products + H (2), and CH3 + C2H2 → Products + H (3). Biacetyl, (CH3CO)2, was used as a clean high temperature thermal source for CH3-radicals for all the three reactions studied in this work. For reaction 1, the experiments span a T-range of 1153 K ≤ T ≤ 1297 K, at P ~ 0.4 bar. The experiments on reaction 2 cover a T-range of 1176 K ≤ T ≤ 1366 K, at P ~ 1.0 bar, and those on reaction 3 a T-range of 1127 K ≤ T ≤ 1346 K, at P ~ 1.0 bar. Reflected shock tube experiments performed on reactions 1-3, monitored the formation of H-atoms with H-atom Atomic Resonance Absorption Spectrometric (ARAS). Fits to the H-atom temporal profiles using an assembled kinetics model were used to make determinations for k1, k2, and k3. In the case of C2H6, the measurements of [H]-atoms were used to derive direct high-temperature rate constants, k1, that can be represented by the Arrhenius equation k1(T) = 5.41 × 10(-12) exp(-6043 K/T) cm(3) molecules(-1) s(-1) (1153 K ≤ T ≤ 1297 K) for the only bimolecular process that occurs, H-atom abstraction. TST calculations based on ab initio properties calculated at the CCSD(T)/CBS//M06-2X/cc-pVTZ level of theory show excellent agreement, within ±20%, of the measured rate constants. For the reaction of CH3 with C2H4, the present rate constant results, k2', refer to the sum of rate constants, k(2b) + k(2c), from two competing processes, addition-elimination, and the direct abstraction CH3 + C2H4C3H6 + H (2b) and CH3 + C2H4C2H2 + H + CH4 (2c). Experimental rate constants for k2' can be represented by the Arrhenius equation k2'(T) = 2.18 × 10(-10) exp(-11830 K/T) cm(3) molecules(-1) s(-1) (1176 K ≤ T ≤ 1366 K). The present results are in excellent agreement with recent theoretical predictions. The present study provides the only direct measurement for the high-temperature rate constants for these channels

  16. Hydrothermal synthesis and crystal structure of the Ni2(C4H4N2)(V4O12)(H2O)2 and Ni3(C4H4N2)3(V8O23) inorganic-organic hybrid compounds. Thermal, spectroscopic and magnetic studies of the hydrated phase

    International Nuclear Information System (INIS)

    Larrea, Edurne S.; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

    2007-01-01

    Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2 , 1, and Ni 3 (C 4 H 4 N 2 ) 3 (V 8 O 23 ), 2, have been synthesized using mild hydrothermal conditions at 170 deg. C under autogenous pressure. Both phases crystallize in the P-1 triclinic space group, with the unit-cell parameters, a=7.437(7), b=7.571(3), c=7.564(4) A, α=65.64(4), β=76.09(4), γ=86.25(3) o for 1 and a=8.566(2), b=9.117(2), c=12.619(3) A, α=71.05(2), β=83.48(4), γ=61.32(3) o for 2, being Z=2 for both compounds. The crystal structure of the three-dimensional 1 is constructed from layers linked between them through the pyrazine molecules. The sheets are formed by edge-shared [Ni 2 O 6 (H 2 O) 2 N 2 ] nickel(II) dimers octahedra and rings composed by four [V 4 O 12 ] vanadium(V) tetrahedra linked through vertices. The crystal structure of 2 is formed from vertex shared [VO 4 ] tetrahedra that give rise to twelve member rings. [NiO 4 (C 4 H 4 N 2 ) 2 ] ∞ chains, resulting from [NiO 4 N 2 ] octahedra and pyrazine molecules, give rise to a 3D skeleton when connecting to [VO 4 ] tetrahedra. Diffuse reflectance measurements of 1 indicate a slightly distorted octahedral geometry with values of Dq=880, B=980 and C=2700 cm -1 . Magnetic measurements of 1, carried out in the 5.0-300 K range, indicate the existence of antiferromagnetic couplings with a Neel temperature near to 38 K. - Graphical abstract: Crystal structure of a sheet of Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2

  17. The superconducting properties of co-doped polycrystalline MgB2

    International Nuclear Information System (INIS)

    Moore, J D; Perkins, G K; Branford, W; Yates, K A; Caplin, A D; Cohen, L F; Chen, Soo Kien; Rutter, N A; MacManus-Driscoll, Judith L

    2007-01-01

    In this study we compare the critical current density, the irreversibility line and the upper critical field of four MgB 2 polycrystalline samples, which are either undoped or have 5% carbon or 5% carbon plus either 1% aluminium or 2% zirconium. We discuss how care must be taken for the extraction of the irreversibility line in such samples. We also show how ac susceptibility and Hall probe imaging can be used to examine whether the samples remain fully connected to the highest available fields. Compared to simple 5% carbon doping we find that co-doping provides modest improvement in the pinning properties at intermediate fields in the carbon plus zirconium doped sample

  18. Fabrication of 2D SnS2/g-C3N4 heterojunction with enhanced H2 evolution during photocatalytic water splitting.

    Science.gov (United States)

    Liu, Enzhou; Chen, Jibing; Ma, Yongning; Feng, Juan; Jia, Jia; Fan, Jun; Hu, Xiaoyun

    2018-08-15

    In this work, the 2D SnS 2 /g-C 3 N 4 heterojunctions were successfully prepared by heating the homogeneous dispersion of SnS 2 nanosheets and g-C 3 N 4 nanosheets using a microwave muffle. SEM, TEM and HRTEM images indicated that the SnS 2 nanosheets were loaded on the surface of the g-C 3 N 4 nanosheets. The UV-vis spectra show that the absorption intensity of the as-prepared samples was increased and the absorption range was also extended from 420 nm to approximately 600 nm. The H 2 production rate over 5 wt% SnS 2 /g-C 3 N 4 can reach 972.6 μmol·h -1 ·g -1 under visible light irradiation (λ > 420 nm) using TEOA as the sacrifice agent and Pt as the electron trap, which is 2.9 and 25.6 times higher than those of the pristine g-C 3 N 4 and SnS 2 , respectively. According to the obtained PL spectra, photocurrent and EIS spectra, the enhanced performance for H 2 generation over the heterojunctions is primarily ascribed to the rapid charge transfer arising from the suitable band gap positions leading to an improved photocatalytic performance. The recycling experiments indicated that the as-prepared composites exhibit good stability in H 2 production. Additionally, a possible enhanced mechanism for H 2 evolution was deduced based on the results obtained by various characterization techniques. Copyright © 2018 Elsevier Inc. All rights reserved.

  19. Structure and electrochemical performances of LiFe{sub 1−2x}Ti{sub x}PO{sub 4}/C cathode doped with high valence Ti{sup 4+} by carbothermal reduction method

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Chang-ling, E-mail: clfanhd@yahoo.com.cn [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Han, Shao-chang [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Li, Ling-fang [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); College of Mechanical Engineering, Hunan University of Art and Science, Changde 415000 (China); Bai, Yong-mei [Equipment Manufacturing College, Hebei University of Engineering, Handan 056038 (China); Zhang, Ke-he; Chen, Jin; Zhang, Xiang [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

    2013-11-05

    Highlights: •LiFePO{sub 4}/C and LiFe{sub 1−2x}Ti{sub x}PO{sub 4}/C are prepared by carbothermal reduction method. •Phenol–formaldehyde resin is used as reducing agent and carbon source. •Mechanism of carbothermal reduction reaction is presented on the basis of TG–DSC. •The electrochemical performances of samples are systematically investigated. -- Abstract: LiFePO{sub 4}/C (LFPC) and LiFe{sub 1−2x}Ti{sub x}PO{sub 4}/C (LFTPC) were prepared by carbothermal reduction method using FePO{sub 42H{sub 2}O as iron source and phenol–formaldehyde resin as reducing agent and carbon source. Different ratios of TiO{sub 2} (IV) with high valence and small radius were applied to dope LiFePO{sub 4} to enhance its electrochemical performances. Results show that LFPC and LFTPC are synthesized successfully by carbothermal reduction method. The optimal carbon content in LFPC is 5 wt.% and its discharge capacity at 0.1 C is 150.8 mA h g{sup −1}. The crystallite structure of LFTPC becomes stable. They possess the smaller particle size compared with LiFePO{sub 4}. LFTPC-2 possesses the best C-rate and cycle performances among all the samples. Its discharge capacities at 0.1 C, 1 C and 3 C are 132.7 mA h g{sup −1}, 98.7 mA h g{sup −1} and 83.1 mA h g{sup −1}. The discharge curve can maintain its stable and flat platform of 3.3 V at 3 C. The electronic conductivity of LFTPC, which is coated with carbon and doped with Ti, can reach ∼10{sup −4} S cm{sup −1}. The charge transfer resistance of LFTPC-2 is 33.68 Ω, which is much lower than that of other samples.

  20. Study of ZrO2-H2SO4-(NH4)2SO4(NH4Cl)-H2O systems

    International Nuclear Information System (INIS)

    Motov, D.L.; Sozinova, Yu.P.; Rys'kina, M.P.

    1988-01-01

    Regions of formation, composition and solubility of ammonium sulfatozirconates (ASZ) in ZrO 2 -H 2 SO 4 -(NH 4 ) 2 SO 4 (NH 4 Cl)-H 2 O systems at 25 and 75 deg C are studied by the isothermal method. Five ASZ: (NH 4 ) 2 Zr(OH) 2 (SO 4 ) 2 , NH 4 ZrOH(SO 4 ) 2 xH 2 O, NH 4 ZrO 0.5 (OH) 2 SO 4 x1.5H 2 O, (NH 4 ) 2 Zr(SO 4 ) 3 x2H 2 O, (NH 4 ) 4 Zr(SO 4 ) 4 x4H 2 O are detected, their properties are investigated. Main sulfates are new compounds never described ealier

  1. The mechanism of Tc performance for Zn doped MgB2 sintered in magnetic field

    International Nuclear Information System (INIS)

    Li, W.X.; Li, Y.; Chen, R.H.; Zeng, R.; Dou, S.X.

    2010-01-01

    The mechanism of magnetic field sintering on the critical transition temperature, T c , for the Zn doped MgB 2 superconductor was investigated with the observation of Raman scattering measurement and the Raman spectra fit analysis. The broadened E 2g mode in Raman spectra shows the strengthening of the electron-phonon coupling (EPC) for the sample sintered in magnetic field. A synchronous fluctuation is observed between the Raman characters of the E 2g mode and the T c .

  2. Low-temperature synthesis of superconducting nanocrystalline MgB2

    International Nuclear Information System (INIS)

    Lu, J.; Xiao, Z.; Lin, Q.; Claus, H.; Fang, Z.Z.

    2010-01-01

    Magnesium diboride (MgB 2 ) is considered a promising material for practical application in superconducting devices, with a transition temperature near 40 K. In the present paper, nanocrystalline MgB 2 with an average particle size of approximately 70 nm is synthesized by reacting LiBH 4 with MgH 2 at temperatures as low as 450 C. This synthesis approach successfully bypasses the usage of either elemental boron or toxic diborane gas. The superconductivity of the nanostructures is confirmed by magnetization measurements, showing a superconducting critical temperature of 38.7 K.

  3. Enhanced visible-light photocatalytic decomposition of 2,4-dichlorophenoxyacetic acid over ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Pengxiang; Yao, Jinhua [Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, Engineering Research Center for Chemical Pollution Control, Ministry of Education, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Chen, Huan, E-mail: hchen404@njust.edu.cn [Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, Engineering Research Center for Chemical Pollution Control, Ministry of Education, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Jiang, Fang, E-mail: fjiang@njust.edu.cn [Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse, Engineering Research Center for Chemical Pollution Control, Ministry of Education, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Xie, Xianchuan [State Key Laboratory of Pollution Control and Resource Reuse, Center for Hydrosciences Research, School of the Environment, Nanjing University, Nanjing 210094 (China)

    2016-11-05

    Highlights: • A novel flower-on-sheet ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} nanocomposite was synthesized. • ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} showed high visible light catalytic activity for 2,4-D degradation. • The photocatalytic degradation pathway of 2,4-D was investigated. - Abstract: ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} heterojunction photocatalyst was successfully synthesized via a simple hydrothermal method and applied to visible-light photocatalytic decomposition of 2,4-dichlorophenoxyacetic acid (2,4-D) from aqueous phase. The flower-like ZnIn{sub 2}S{sub 4} particles were dispersed on the surface of g-C{sub 3}N{sub 4} nanosheets in the ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite. The composite showed higher separation rate of electron-hole pairs as compared to ZnIn{sub 2}S{sub 4} and g-C{sub 3}N{sub 4}. Consequently, the ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite exhibited enhanced visible light photocatalytic decomposition efficiency of 2,4-D, within 20% ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite owning the highest photocatalytic efficiency and initial rate. The initial rates of 2,4-D degradation on g-C{sub 3}N{sub 4}, ZnIn{sub 2}S{sub 4}, and 20% ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} were 1.23, 0.57 and 3.69 mmol/(g{sub cat} h), respectively. The h{sup +} and O{sub 2}{sup ·−} were found to be the dominant active species for 2,4-D decomposition. The photocatalytic degradation pathways of 2,4-D by ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} under visible light irradiation were explored. The ZnIn{sub 2}S{sub 4}/g-C{sub 3}N{sub 4} composite displayed high photostability in recycling tests, reflecting its promising potential as an effective visible light photocatalyst for 2,4-D treatment.

  4. Nitrogen doping of chemical vapor deposition grown graphene on 4H-SiC (0001)

    Energy Technology Data Exchange (ETDEWEB)

    Urban, J. M.; Binder, J.; Wysmołek, A. [Faculty of Physics, University of Warsaw, ul. Hoża 69, 00-681 Warsaw (Poland); Dąbrowski, P.; Strupiński, W. [Institute of Electronic Materials Technology, ul. Wólczyńska 133, 01-919 Warsaw (Poland); Kopciuszyński, M.; Jałochowski, M. [Institute of Physics, Maria Curie-Skłodowska University, pl. M. Curie-Skłodowskiej 1, 20-031 Lublin (Poland); Klusek, Z. [Faculty of Physics and Applied Informatics, University of Łódź, ul. Pomorska 149/153, 90-236 Łódź (Poland); Baranowski, J. M. [Faculty of Physics, University of Warsaw, ul. Hoża 69, 00-681 Warsaw (Poland); Institute of Electronic Materials Technology, ul. Wólczyńska 133, 01-919 Warsaw (Poland)

    2014-06-21

    We present optical, electrical, and structural properties of nitrogen-doped graphene grown on the Si face of 4H-SiC (0001) by chemical vapor deposition method using propane as the carbon precursor and N{sub 2} as the nitrogen source. The incorporation of nitrogen in the carbon lattice was confirmed by X-ray photoelectron spectroscopy. Angle-resolved photoemission spectroscopy shows carrier behavior characteristic for massless Dirac fermions and confirms the presence of a graphene monolayer in the investigated nitrogen-doped samples. The structural and electronic properties of the material were investigated by Raman spectroscopy. A systematical analysis of the graphene Raman spectra, including D, G, and 2D bands, was performed. In the case of nitrogen-doped samples, an electron concentration on the order of 5–10 × 10{sup 12} cm{sup −2} was estimated based upon Raman and Hall effect measurements and no clear dependence of the carrier concentration on nitrogen concentration used during growth was observed. This high electron concentration can be interpreted as both due to the presence of nitrogen in graphitic-like positions of the graphene lattice as well as to the interaction with the substrate. A greater intensity of the Raman D band and increased inhomogeneity, as well as decreased electron mobility, observed for nitrogen-doped samples, indicate the formation of defects and a modification of the growth process induced by nitrogen doping.

  5. Alkali/TX[sub 2] catalysts for CO/H[sub 2] conversion to C[sub 1]-C[sub 4] alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R.G.; Bastian, R.D.; Flanagan, K.L.

    1989-01-01

    Ruthenium disulfide catalysts have been synthesized, tested, and characterized during this period of research. It was observed that both the undoped and Cs-doped RuS[sub 2] catalysts produced alcohols and lower amounts of hydrocarbons from H[sub 2]/CO = 1.0 synthesis gas at temperatures above 300[degree]C. Calcination and catalytic testing resulted in partial reduction of the RuS[sub 2] to Ru[sup o]. Calcination under H[sub 2]S prevented the partial reduction of the RuS[sub 2] catalyst, but subsequent catalytic testing again resulted in the formation of a quantity of Ru[sup o]. A Cs-doped RuS[sub 2] catalyst was prepared, but it might have had too high of a loading of Cs. Upon testing, a lower activity was observed for the doped catalyst compared with the undoped catalyst, but the alcohol selectivity was the same for the two catalysts.

  6. Hydration reactions in pastes C3S+C3A+CaSO4.2aq+H20 at 25°C.I

    NARCIS (Netherlands)

    Corstanje, W.A.; Stein, H.N.; Stevels, J.M.

    1973-01-01

    A characteristic retardation of the hydration of C3A is found in pastes C3S+C3A+CaSO4.2aq+H2O of weight ratios 1:3:z:4 at certain values of z, when sulphate concentration becomes insufficient for monosulphate formation. This retardation is ascribed to precipitation of amorphous Al(OH)3, when C3A

  7. Production of 34S-labeled gypsum (Ca34SO4.2H2O Produção de gesso (Ca34SO4.2H2O, marcado com 34S

    Directory of Open Access Journals (Sweden)

    Alexssandra Luiza Rodrigues Molina Rossete

    2006-08-01

    Full Text Available Agricultural gypsum (CaSO4.2H2O stands out as an effective source of calcium and sulfur, and to control aluminum saturation in the soil. Labeled as 34S it can elucidate important aspects of the sulfur cycle. Ca34SO4.2H2O was obtained by chemical reaction between Ca(OH2 and H2(34SO4, performed under slow agitation. The acid was produced by ion exchange chromatography using the Dowex 50WX8 cation exchange resin and a Na2(34SO4 eluting solution. After precipitation, the precipitate was separated and dried in a ventilated oven at 60ºC. From 2.2 L H2SO4 0.2 mol L-1 and 33.6 g Ca(OH2, 73.7 ± 0.6 g Ca34SO4.2H2O were produced on average in the tests, representing a mean yield of 94.6 ± 0.8%, with 98% purity. The 34SO2 gas was obtained from Ca34SO4.2H2O in the presence of NaPO3 in a high vacuum line and was used for the isotopic determination of S in an ATLAS-MAT model CH-4 mass spectrometer.O gesso agrícola (CaSO4.2H2O destaca-se como fonte eficiente de cálcio e enxofre e na redução da saturação de alumínio no solo. O 34S como traçador isotópico pode elucidar aspectos importantes no ciclo do enxofre. Para tanto o Ca34SO4.2H2O foi obtido por reação química entre o Ca(OH2 e solução de H2(34SO4, realizada sob agitação lenta. O ácido foi produzido por cromatografia de troca iônica, utilizando resina catiônica Dowex 50WX8 e solução eluente de Na2(34SO4. Após a precipitação foi separado o precipitado e realizada a secagem em estufa ventilada à temperatura de 60ºC. Nos testes, a partir de 2,2 L de H2SO4 0,2 mol L-1 e 33,6 g de Ca(OH2, foram produzidos em média 73,7 ± 0,6 g de Ca34SO4.2H2O representando um rendimento médio de 94,6 ± 0,8%, com pureza de 98%. A partir do Ca34SO4.2H2O na presença de NaPO3, em linha de alto vácuo, obteve-se o gás 34SO2 utilizado para a determinação isotópica do S no espectrômetro de massas ATLAS-MAT modelo CH-4.

  8. Thermoluminescence kinetic parameters of different amount La-doped ZnB2O4

    International Nuclear Information System (INIS)

    Kucuk, Nil; Gozel, Aziz Halit; Yüksel, Mehmet; Dogan, Tamer; Topaksu, Mustafa

    2015-01-01

    The kinetic parameters of 1%, 2%, 3% and 4% La-doped ZnB 2 O 4 phosphors (i.e. ZnB 2 O 4 :0.01La, ZnB 2 O 4 :0.02La, ZnB 2 O 4 :0.03La and ZnB 2 O 4 :0.04La) synthesized by nitric acid method have been calculated. Thermoluminescence (TL) glow curves of ZnB 2 O 4 :La phosphors after beta-irradiation showed a very well defined main peak having the maximum temperature at around 200 °C and a shoulder peak at around 315 °C with a constant heating rate of 5 °C/s. The kinetic parameters of ZnB 2 O 4 :La phosphors TL glow peaks (i.e. order of kinetics (b), activation energies (E a ) and frequency factors (s)) have been determined and evaluated by Computerized Glow Curve Deconvolution (CGCD), and Peak Shape (PS) methods using the glow curve data. From the results, it can conclude that the values of E a obtained with these methods for ZnB 2 O 4 :La phosphors are consistent with each other, but the s values differ considerably. - Highlights: • Calculation of TL kinetic parameters for La-doped ZnB 2 O 4 . • La-doped ZnB 2 O 4 was synthesized by nitric acid method. • Well defined main peak at about 200 °C

  9. Synthesis and evaluation of (S)-4-(3-(2'-[C-11]isopropylamino)-2-hydroxy-propoxy)-2H-benzimidazol-2-one ((S)-[C-11]CGP 12388) and (S)-4-(3-((1'-[F-18]-fluoroisopropyl)amino)-2-hydroxypropoxy)-2H-benzimidazol-2-one ((S)-[F-18]Fluoro-CGP 12388) for visualization of beta-adrenoceptors with positron emission tomography

    NARCIS (Netherlands)

    Elsinga, PH; vanWaarde, A; Jaeggi, KA; Schreiber, G; Heldoorn, M; Vaalburg, W

    1997-01-01

    The beta-adrenoceptor antagonist (S)-[C-11]CGP 12177 (4-(3-(tert-butylamino)-2-hydroxypropoxy)- 2H-benzimidazol-2[C-11]-one) is a generally accepted radioligand for cardiac and pulmonary PET studies. The synthesis of [C-11]CGP 12177 is a laborious and often troublesome procedure. Therefore, (S)-C GP

  10. Effects of sintering conditions on critical current properties and microstructures of MgB2 bulks

    International Nuclear Information System (INIS)

    Yamamoto, Akiyasu; Shimoyama, Jun-ichi; Ueda, Shinya; Katsura, Yukari; Iwayama, Isao; Horii, Shigeru; Kishio, Kohji

    2005-01-01

    The effects of heating conditions on critical current properties and microstructures of undoped MgB 2 bulks were systematically studied. Strong correlation was observed between J c and microstructures. The network structure with an excellent inter-grain connectivity of MgB 2 grains contributed to high-J c under low magnetic fields, and small grain size of MgB 2 enhanced the grain boundary flux pinning. Long time heating at low temperatures below the melting point of magnesium was discovered to be most effective for synthesis of MgB 2 bulks having strongly connected MgB 2 network structure with small grains. The sample heated at 550 deg. C for 1200 h recorded a high-J c of 4.02 x 10 5 A cm -2 at 20 K in self-field, while high-temperature and long time heating brought a significant grain growth which resulted in low J c

  11. High yield and facile microwave-assisted synthesis of conductive H{sub 2}SO{sub 4} doped polyanilines

    Energy Technology Data Exchange (ETDEWEB)

    Gizdavic-Nikolaidis, Marija R., E-mail: m.gizdavic@auckland.ac.nz [School of Chemical Sciences, The University of Auckland, Private Bag 92019, Auckland Mail Centre, Auckland, 1142 (New Zealand); Faculty of Physical Chemistry, Studentski Trg 12-16, PO Box 137, 11001, Belgrade (Serbia); Jevremovic, Milutin M. [Public Company Nuclear Facilities of Serbia, 12-14 Mike Petrovica Alasa, Vinca, 11351, Belgrade (Serbia); Milenkovic, Maja [Faculty of Physical Chemistry, Studentski Trg 12-16, PO Box 137, 11001, Belgrade (Serbia); Allison, Morgan C. [School of Chemical Sciences, The University of Auckland, Private Bag 92019, Auckland Mail Centre, Auckland, 1142 (New Zealand); Stanisavljev, Dragomir R. [Faculty of Physical Chemistry, Studentski Trg 12-16, PO Box 137, 11001, Belgrade (Serbia); Bowmaker, Graham A. [School of Chemical Sciences, The University of Auckland, Private Bag 92019, Auckland Mail Centre, Auckland, 1142 (New Zealand); Zujovic, Zoran D. [School of Chemical Sciences, The University of Auckland, Private Bag 92019, Auckland Mail Centre, Auckland, 1142 (New Zealand); MacDiarmid Institute for Advanced Materials and Nanotechnology, Victoria University of Wellington, PO Box 600, Wellington, 6140 (New Zealand); Institute of General and Physical Chemistry, Studentski Trg 12-16, 11001, Belgrade (Serbia)

    2016-04-15

    The microwave-assisted synthesis of polyaniline (PANI) was performed using ammonium persulphate (APS) as oxidizing agent in 0.5 M–2.5 M concentration range of aqueous sulphuric acid (H{sub 2}SO{sub 4}) at 93 W applied microwave power of 10 min duration. The microwave (MW) synthesized PANIs had 3 times higher yield in comparison to PANI samples prepared using a classical method, CS (0 W MW power) at the same temperature for 10 min synthesis duration period. Fourier Transform Infrared (FTIR) and UV–Vis spectroscopies confirmed the formation of PANI structure in all products. The influence of H{sub 2}SO{sub 4} acid dopant on the spin concentration of MW and CS H{sub 2}SO{sub 4} doped PANI samples were examined by EPR spectroscopy, while the morphological characteristics were investigated by using scanning electron microscopy (SEM). XRD results showed amorphous phases in both MW and CS H{sub 2}SO{sub 4} doped PANI samples. Conductivity measurements revealed ∼1.5 times higher conductivity values for MW H{sub 2}SO{sub 4} doped PANI samples in comparison with PANI samples prepared by the CS method under same condition. The influence of sulfate anion in comparison to chloride anion as a dopant on morphological, dopant levels and conductivity properties of MW PANI samples were also investigated. - Highlights: • Nanoporous microwave synthesized doped polyanilines as chemical sensor material. • Morphology and physical properties of polyanilines depend on acid concentration. • Spin concentration is determined by the nature of the polyaniline synthesis.

  12. High pressure oxidation of C2H4/NO mixtures

    DEFF Research Database (Denmark)

    Giménez-López, J.; Alzueta, M.U.; Rasmussen, C.T.

    2011-01-01

    An experimental and kinetic modeling study of the interaction between C2H4 and NO has been performed under flow reactor conditions in the intermediate temperature range (600–900K), high pressure (60bar), and for stoichiometries ranging from reducing to oxidizing conditions. The main reaction...... pathways of the C2H4/O2/NOx conversion, the capacity of C2H4 to remove NO, and the influence of the presence of NOx on the C2H4 oxidation are analyzed. Compared to the C2H4/O2 system, the presence of NOx shifts the onset of reaction 75–150K to lower temperatures. The mechanism of sensitization involves...... the reaction HOCH2CH2OO+NO→CH2OH+CH2O+NO2, which pushes a complex system of partial equilibria towards products. This is a confirmation of the findings of Doughty et al. [3] for a similar system at atmospheric pressure. Under reducing conditions and temperatures above 700K, a significant fraction of the NOx...

  13. A new approach to MgB2 superconducting magnet fabrication

    International Nuclear Information System (INIS)

    Miyazoe, A; Ando, T; Wada, H; Abe, H; Hirota, N; Sekino, M

    2008-01-01

    Fabrication of MgB 2 -based superconducting magnets has been attempted by a new approach using film coated on symmetric tubes. Superconducting MgB 2 films have been prepared on iron substrates by electroplating in molten electrolytes. The critical current (I c ) of the MgB 2 electroplating films at 4.2 K and at self-field was 15 A on the basis of 1 μV/cm of I c criterion. A model calculation has shown that MgB 2 -based superconducting magnets based on MgB 2 electroplating films have the potential to generate magnetic fields over 0.5 T

  14. Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H).

    Science.gov (United States)

    Bowling, Nathan P; Halter, Robert J; Hodges, Jonathan A; Seburg, Randal A; Thomas, Phillip S; Simmons, Christopher S; Stanton, John F; McMahon, Robert J

    2006-03-15

    1-Diazo-2,4-pentadiyne (6a), along with both monodeuterio isotopomers 6b and 6c, has been synthesized via a route that proceeds through diacetylene, 2,4-pentadiynal, and 2,4-pentadiynal tosylhydrazone. Photolysis of diazo compounds 6a-c (lambda > 444 nm; Ar or N2, 10 K) generates triplet carbenes HC5H (1) and HC5D (1-d), which have been characterized by IR, EPR, and UV/vis spectroscopy. Although many resonance structures contribute to the resonance hybrid for this highly unsaturated carbon-chain molecule, experiment and theory reveal that the structure is best depicted in terms of the dominant resonance contributor of penta-1,4-diyn-3-ylidene (diethynylcarbene, H-C[triple bond]C-:C-C[triple bond]C-H). Theory predicts an axially symmetric (D(infinity h)) structure and a triplet electronic ground state for 1 (CCSD(T)/ANO). Experimental IR frequencies and isotope shifts are in good agreement with computed values. The triplet EPR spectrum of 1 (absolute value(D/hc) = 0.6157 cm(-1), absolute value(E/hc) = 0.0006 cm(-1)) is consistent with an axially symmetric structure, and the Curie law behavior confirms that the triplet state is the ground state. The electronic absorption spectrum of 1 exhibits a weak transition near 400 nm with extensive vibronic coupling. Chemical trapping of triplet HC5H (1) in an O2-doped matrix affords the carbonyl oxide 16 derived exclusively from attack at the central carbon.

  15. Semiconducting perovskites (2-XC6H4C2H4NH3)2SnI4 (X = F, Cl, Br): steric interaction between the organic and inorganic layers.

    Science.gov (United States)

    Xu, Zhengtao; Mitzi, David B; Dimitrakopoulos, Christos D; Maxcy, Karen R

    2003-03-24

    Two new semiconducting hybrid perovskites based on 2-substituted phenethylammonium cations, (2-XC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) (X = Br, Cl), are characterized and compared with the previously reported X = F compound, with a focus on the steric interaction between the organic and inorganic components. The crystal structure of (2-ClC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) is solved in a disordered subcell [C2/m, a = 33.781(7) A, b = 6.178(1) A, c = 6.190(1) A, beta = 90.42(3)(o), and Z = 2]. The structure is similar to the known (2-FC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) structure with regard to both the conformation of the organic cations and the bonding features of the inorganic sheet. The (2-BrC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) system adopts a fully ordered monoclinic cell [P2(1)/c, a = 18.540(2) A, b = 8.3443(7) A, c = 8.7795(7) A, beta = 93.039(1)(o), and Z = 2]. The organic cation adopts the anti conformation, instead of the gauche conformation observed in the X = F and Cl compounds, apparently because of the need to accommodate the additional volume of the bromo group. The steric effect of the bromo group also impacts the perovskite sheet, causing notable distortions, such as a compressed Sn-I-Sn bond angle (148.7(o), as compared with the average values of 153.3 and 154.8(o) for the fluoro and chloro compounds, respectively). The optical absorption features a substantial blue shift (lowest exciton peak: 557 nm, 2.23 eV) relative to the spectra of the fluoro and chloro compounds (588 and 586 nm, respectively). Also presented are transport properties for thin-film field-effect transistors (TFTs) based on spin-coated films of the two hybrid semiconductors.

  16. A Layered Solution Crystal Growth Technique and the Crystal Structure of (C 6H 5C 2H 4NH 3) 2PbCl 4

    Science.gov (United States)

    Mitzi, D. B.

    1999-07-01

    Single crystals of the organic-inorganic perovskite (C6H5C2H4NH3)2PbCl4 have been grown at room temperature using a layered solution approach. The bottom solution layer, contained within a long straight tube, consists of PbCl2 dissolved in concentrated aqueous HCl. A less dense layer of methanol is carefully placed on top of the HCl/PbCl2 solution using a syringe. Finally, a stoichiometric quantity of C6H5C2H4NH2 (relative to the PbCl2) is added to the top of the column. As the layers slowly diffuse together, well-formed crystals of (C6H5C2H4NH3)2PbCl4 appear near the interface between the HCl/PbCl2 and C6H5C2H4NH2 solutions. The thick, plate-like crystals are well suited for X-ray crystallography studies. Room temperature intensity data were refined using a triclinic (Poverline1) cell (a=11.1463(3) Å, b=11.2181(3) Å, c=17.6966(5) Å, α= 99.173(1)°, β=104.634(1)°, γ=89.999(1)°, V=2111.8(1) Å3, Z=4, Rf/Rw=0.031/0.044). The organic-inorganic layered perovskite structure features well-ordered sheets of corner-sharing distorted PbCl6 octahedra separated by bilayers of phenethylammonium cations. Tilting and rotation of the PbCl6 octahedra within the perovskite sheets, coupled with organic cation ordering, leads to the unusual in-sheet 2ap×2ap superstructure, where ap is the lattice constant for the ideal cubic perovskite.

  17. Fabrication of a Scaled MgB2 Racetrack Demonstrator Pole for a 10-MW Direct-Drive Wind Turbine Generator

    DEFF Research Database (Denmark)

    Magnusson, Niklas; Eliassen, Jan Christian; Abrahamsen, Asger Bech

    2018-01-01

    Field windings made of MgB2 wires or tapes are considered for their potential to reduce volume, weight, and cost of large offshore wind turbine generators. To gain experience of how to use this relatively new material in full-scale generators, tests of different winding methodologies and techniques...... are needed. In this paper, we describe in detail the steps used to wind a racetrack coil with a length of 1 m and a width of 0.5 m out of 4.5 km of MgB2 superconducting tape. The width corresponds to a full-scale pole of a 10-MW generator, whereas the length of the straight section is shorter than...... the corresponding full-scale pole. The coil was built up of ten double pancake coils. Each double pancake coil was wet wound using a semiautomatic winding process, where Stycast 2850 was applied directly to the MgB2 tape without any other dedicated electrical insulation. The strengths and weaknesses of the winding...

  18. Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce, Nd

    International Nuclear Information System (INIS)

    De Almeida, Lucie; Grandjean, Stephane; Abraham, Francis; Rivenet, Murielle; Patisson, Fabrice

    2014-01-01

    New hydrazinium lanthanide oxalates N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce (Ce-H_yO_x) and Nd (Nd- H_yO_x), were synthesized by hydrothermal reaction at 150 C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2_1/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Angstroms, β = 116.638(4) degrees, V = 2021.4(7) Angstroems"3, Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO_9 and NdO_8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm"-"1 confirms the coordination of N_2H_5"+ to the metal. These polyhedra are connected through μ"2 and μ"3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-H_yO_x) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO_2 and Ce_0_._5Nd_0_._5O_1_._7_5 are formed at low temperature from Ce-H_yO_x and CeNd-H_yO_x, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxy-mono-cyanamides Ln_2O_2CN_2 are formed. (authors)

  19. Analysis of Hc2(θ,T) for Mg(B1-xCx)2 single crystals by using the dirty two-gap model

    International Nuclear Information System (INIS)

    Park, Min-Seok; Lee, Hyun-Sook; Kim, Jung-Dae; Kim, Heon-Jung; Jung, Myung-Hwa; Jo, Younghun; Lee, Sung-Ik

    2007-01-01

    To understand the effect of carbon doping on the superconductivity in MgB 2 , we obtained the angle- and temperature-dependent upper critical fields [H c2 (θ) and H c2 (T)] for Mg(B 1-x C x ) 2 single crystals (x = 0.06 and 0.1) from resistivity measurements while varying the temperature, the field, and the direction of the field. The detailed values of the diffusivity for two different directions for each σ-band and π-band were obtained to explain both the temperature- and the angle-dependent H c2 by using the dirty-limit two-gap model. The induced impurity scattering of the σ-band and the π-band for both the ab-plane and the c-direction is studied. (fast track communication)

  20. 3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H-thione

    Directory of Open Access Journals (Sweden)

    Zbigniew Karczmarzyk

    2013-02-01

    Full Text Available The title compound, C11H13N3S, exists in the 5-thioxo tautomeric form. The benzene ring exhibits disorder with a refined ratio of 0.77 (2:0.23 (2 for components A and B with a common bridgehead C atom. The 1,2,4-triazole ring is essentially planar, with a maximum deviation of 0.002 (3 Å for the benzyl-substituted C atom, and forms dihedral angles of 88.94 (18 and 86.56 (49° with the benzene rings of components A and B, respectively. The angle between the plane of the ethyl chain and the mean plane of 1,2,4-triazole ring is 88.55 (15° and this conformation is stabilized by an intramolecular C—H...S contact. In the crystal, pairs of N—H...S hydrogen bonds link molecules into inversion dimers. π–π interactions are observed between the triazole and benzene rings, with centroid–centroid separations of 3.547 (4 and 3.544 (12 Å for components A and B, and slippages of 0.49 (6 and 0.58 (15 Å, respectively.

  1. 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

  2. The H_6_0Si_6C_5_4 heterofullerene as high-capacity hydrogen storage medium

    International Nuclear Information System (INIS)

    Yong, Yongliang; Zhou, Qingxiao; Li, Xiaohong; Lv, Shijie

    2016-01-01

    With the great success in Si atoms doped C_6_0 fullerene and the well-established methods for synthesis of hydrogenated carbon fullerenes, this leads naturally to wonder whether Si-doped fullerenes are possible for special applications such as hydrogen storage. Here by using first-principles calculations, we design a novel high-capacity hydrogen storage material, H_6_0Si_6C_5_4 heterofullerene, and confirm its geometric stability. It is found that the H_6_0Si_6C_5_4 heterofullerene has a large HOMO-LUMO gap and a high symmetry, indicating it is high chemically stable. Further, our finite temperature simulations indicate that the H_6_0Si_6C_5_4 heterofullerene is thermally stable at 300 K. H_2 molecules would enter into the cage from the Si-hexagon ring because of lower energy barrier. Through our calculation, a maximum of 21 H_2 molecules can be stored inside the H_6_0Si_6C_5_4 cage in molecular form, leading to a gravimetric density of 11.11 wt% for 21H_2@H_6_0Si_6C_5_4 system, which suggests that the hydrogenated Si_6C_5_4 heterofullerene could be suitable as a high-capacity hydrogen storage material.

  3. Development of Ti-sheathed MgB2 wires with high critical current density

    International Nuclear Information System (INIS)

    Liang, G; Fang, H; Hanna, M; Yen, F; Lv, B; Alessandrini, M; Keith, S; Hoyt, C; Tang, Z; Salama, K

    2006-01-01

    Working towards developing lightweight superconducting magnets for future space and other applications, we have successfully fabricated mono-core Ti-sheathed MgB 2 wires by the powder-in-tube method. The wires were characterized by magnetization, electrical resistivity, x-ray diffraction, scanning electron microscopy, and energy dispersive spectrometry measurements. The results indicate that the Ti sheath does not react with the magnesium and boron, and the present wire rolling process can produce MgB 2 wires with a superconducting volume fraction of at least 64% in the core. Using the Bean model, it was found that at 5 K, the magnetic critical current densities, J c , measured in magnetic fields of 0, 5, and 8 T are about 4.2 x 10 5 , 3.6 x 10 4 , and 1.4 x 10 4 A cm -2 , respectively. At 20 K and 0 T, the magnetic J c is about 2.4 x 10 5 A cm -2 . These results show that at zero and low fields, the values of the magnetic J c for Ti-sheathed MgB 2 wires are comparable with the best results available for the Fe-sheathed MgB 2 wires. At high fields, however, the J c for Ti-sheathed MgB 2 wires appears higher than that for the Fe-sheathed MgB 2 wires

  4. High critical currents in heavily doped (Gd,Y)Ba2Cu3Ox superconductor tapes

    Energy Technology Data Exchange (ETDEWEB)

    Selvamanickam, V; Gharahcheshmeh, MH; Xu, A; Galstyan, E; Delgado, L; Cantoni, C

    2015-01-19

    REBa2Cu3Ox ((REBCO), RE = rare earth) superconductor tapes with moderate levels of dopants have been optimized for high critical current density in low magnetic fields at 77 K, but they do not exhibit exemplary performance in conditions of interest for practical applications, i.e., temperatures less than 50K and fields of 2-30 T. Heavy doping of REBCO tapes has been avoided by researchers thus far due to deterioration in properties. Here, we report achievement of critical current densities (J(c)) above 20 MA/cm(2) at 30 K, 3 T in heavily doped (25 mol.% Zr-added) (Gd,Y)Ba2Cu3Ox superconductor tapes, which is more than three times higher than the J(c) typically obtained in moderately doped tapes. Pinning force levels above 1000 GN/m(3) have also been attained at 20 K. A composition map of lift factor in J(c) (ratio of J(c) at 30 K, 3 T to the J(c) at 77 K, 0 T) has been developed which reveals the optimum film composition to obtain lift factors above six, which is thrice the typical value. A highly c-axis aligned BaZrO3 (BZO) nanocolumn defect density of nearly 7 x 10(11) cm(-2) as well as 2-3 nm sized particles rich in Cu and Zr have been found in the high J(c) films. (C) 2015 AIP Publishing LLC.

  5. The Fabrication and Characterization of Ni/4H-SiC Schottky Diode Radiation Detectors with a Sensitive Area of up to 4 cm2

    Directory of Open Access Journals (Sweden)

    Lin-Yue Liu

    2017-10-01

    Full Text Available Silicon carbide (SiC detectors of an Ni/4H-SiC Schottky diode structure and with sensitive areas of 1–4 cm2 were fabricated using high-quality lightly doped epitaxial 4H-SiC material, and were tested in the detection of alpha particles and pulsed X-rays/UV-light. A linear energy response to alpha particles ranging from 5.157 to 5.805 MeV was obtained. The detectors were proved to have a low dark current, a good energy resolution, and a high neutron/gamma discrimination for pulsed radiation, showing the advantages in charged particle detection and neutron detection in high-temperature and high-radiation environments.

  6. Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

    Science.gov (United States)

    Clegg, S L; Wexler, A S

    2011-04-21

    A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

  7. Tunable Robust pacs-MOFs: a Platform for Systematic Enhancement of the C2H2 Uptake and C2H2/C2H4 Separation Performance.

    Science.gov (United States)

    Chen, Di-Ming; Sun, Chun-Xiao; Zhang, Nan-Nan; Si, Huan-Huan; Liu, Chun-Sen; Du, Miao

    2018-03-05

    As a modulatable class of porous crystalline materials, metal-organic frameworks (MOFs) have gained intensive research attention in the domain of gas storage and separation. In this study, we report on the synthesis and gas adsorption properties of two robust MOFs with the general formula [Co 3 (μ 3 -OH)(cpt) 3 Co 3 (μ 3 -OH)(L) 3 (H 2 O) 9 ](NO 3 ) 4 (guests) n [L = 3-amino-1,2,4-triazole (1) and 3,5-diamino-1,2,4-triazole (2); Hcpt = 4-(4-carboxyphenyl)-1,2,4-triazole], which show the same pacs topology. Both MOFs are isostructural to each other and show MIL-88-type frameworks whose pore spaces are partitioned by different functionlized trinuclear 1,2,4-triazolate-based clusters. The similar framework components with different amounts of functional groups make them an ideal platform to permit a systematic gas sorption/separation study to evaluate the effects of distinctive parameters on the C 2 H 2 uptake and separation performance. Because of the presence of additional amido groups, the MOF 2 equipped with a datz-based cluster (Hdatz = 3,5-diamino-1,2,4-triazole) shows a much improved C 2 H 2 uptake capacity and separation performance over that of the MOF 1 equipped with atz-based clusters (Hatz = 3-amino-1,2,4-triazole), although the surface area of the MOF 1 is almost twice than that of the MOF 2. Moreover, the high density of open metal sites, abundant free amido groups, and charged framework give the MOF 2 an excellent C 2 H 2 separation performance, with ideal adsorbed solution theory selectivity values reaching up to 11.5 and 13 for C 2 H 2 /C 2 H 4 (1:99) and C 2 H 2 /CO 2 (50:50) at 298 K and 1 bar, showing potential for use in natural gas purification.

  8. Comparative study of thermal lensing in low-doped Nd:YVO4 and Nd:GdVO4 of equal doping concentration

    CSIR Research Space (South Africa)

    Strauss

    2009-06-01

    Full Text Available stream_source_info Strauss_2009.pdf.txt stream_content_type text/plain stream_size 4705 Content-Encoding UTF-8 stream_name Strauss_2009.pdf.txt Content-Type text/plain; charset=UTF-8 Comparative Study of Thermal Lensing... in Low-doped Nd:YVO4 and Nd:GdVO4 of Equal Doping Concentration H. J. Strauss1,2, C. Bollig1, H. M. von Bergmann2 and M. J. D. Esser1 1. National Laser Centre, Council for Scientific and Industrial Research, PO Box 395, Pretoria 0001, South Africa 2...

  9. Estimation of power dissipation of a 4H-SiC Schottky barrier diode with a linearly graded doping profile in the drift region

    Directory of Open Access Journals (Sweden)

    Rajneesh Talwar

    2009-09-01

    Full Text Available The aim of this paper is to establish the importance of a linearly graded profile in the drift region of a 4H-SiC Schottky barrier diode (SBD. The power dissipation of the device is found to be considerably lower at any given current density as compared to its value obtained for a uniformly doped drift region. The corresponding values of breakdown voltages obtained are similar to those obtained with uniformly doped wafers of 4H-SiC.

  10. Optical spectroscopy of two-dimensional layered (C(6)H(5)C(2)H(4)-NH(3))(2)-PbI(4) perovskite.

    Science.gov (United States)

    Gauthron, K; Lauret, J-S; Doyennette, L; Lanty, G; Al Choueiry, A; Zhang, S J; Brehier, A; Largeau, L; Mauguin, O; Bloch, J; Deleporte, E

    2010-03-15

    We report on optical spectroscopy (photoluminescence and photoluminescence excitation) on two-dimensional self-organized layers of (C(6)H(5)C(2)H(4)-NH(3))(2)-PbI(4) perovskite. Temperature and excitation power dependance of the optical spectra gives a new insight into the excitonic and the phononic properties of this hybrid organic/inorganic semiconductor. In particular, exciton-phonon interaction is found to be more than one order of magnitude higher than in GaAs QWs. As a result, photoluminescence emission lines have to be interpreted in the framework of a polaron model.

  11. Interface Trap Profiles in 4H- and 6H-SiC MOS Capacitors with Nitrogen- and Phosphorus-Doped Gate Oxides

    Science.gov (United States)

    Jiao, C.; Ahyi, A. C.; Dhar, S.; Morisette, D.; Myers-Ward, R.

    2017-04-01

    We report results on the interface trap density ( D it) of 4H- and 6H-SiC metal-oxide-semiconductor (MOS) capacitors with different interface chemistries. In addition to pure dry oxidation, we studied interfaces formed by annealing thermal oxides in NO or POCl3. The D it profiles, determined by the C- ψ s method, show that, although the as-oxidized 4H-SiC/SiO2 interface has a much higher D it profile than 6H-SiC/SiO2, after postoxidation annealing (POA), both polytypes maintain comparable D it near the conduction band edge for the gate oxides incorporated with nitrogen or phosphorus. Unlike most conventional C- V- or G- ω-based methods, the C- ψ s method is not limited by the maximum probe frequency, therefore taking into account the "fast traps" detected in previous work on 4H-SiC. The results indicate that such fast traps exist near the band edge of 6H-SiC also. For both polytypes, we show that the total interface trap density ( N it) integrated from the C- ψ s method is several times that obtained from the high-low method. The results suggest that the detected fast traps have a detrimental effect on electron transport in metal-oxide-semiconductor field-effect transistor (MOSFET) channels.

  12. (4S)-4-(3,4-Dichloro?phen?yl)-1?-methyl-4?-phenyl-3,4-dihydronaphthalene-2-spiro-3?-pyrrolidine-2?-spiro-1??-acenaphthyl?ene-1,2??(2H,1??H)-dione

    OpenAIRE

    Murugan, R.; Gunasekaran, B.; Narayanan, S. Sriman; Manivannan, V.

    2008-01-01

    In the title compound, C37H27Cl2NO2, the 3,4-dichloro?phenyl ring makes a dihedral angle of 46.66?(6)? with the phenyl ring. The mol?ecular structure is stabilized by weak intra?molecular C?H?O inter?actions and the crystal structure is stabilized by weak inter?molecular C?H?O inter?actions. The C?C?C?C?C five-membered ring is planar, while the C?C?C?C?N five-membered ring adopts a half-chair conformation.

  13. Superior critical current density obtained in MgB_2 bulks via employing carbon-coated boron and minor Cu addition

    International Nuclear Information System (INIS)

    Peng, Junming; Liu, Yongchang; Ma, Zongqing; Shahriar Al Hossain, M.; Xin, Ying; Jin, Jianxun

    2016-01-01

    Highlights: • Usage of carbon-coated boron leads to high level of homogeneous carbon doping. • Cu addition improves MgB_2 grain connectivity, leading to higher J_c at low fields. • Cu addition reduces MgO impurity, also contributing to the improvement of J_c. - Abstract: High performance Cu doped MgB_2 bulks were prepared by an in-situ method with carbon-coated amorphous boron as precursor. It was found that the usage of carbon-coated boron in present work leads to the formation of uniformly refined MgB_2 grains, as well as a high level of homogeneous carbon doping in the MgB_2 samples, which significantly enhance the J_c in both Cu doped and undoped bulks compared to MgB_2 bulks with normal amorphous boron precursor. Moreover, minor Cu can service as activator, and thus facilitates the growth of MgB_2 grains and improves crystallinity and grain connectivity, which can bring about the excellent critical current density (J_c) at self fields and low fields (the best values are 7 × 10"5 A/cm"2 at self fields, and 1 × 10"5 A/cm"2 at 2 T, 20 K, respectively). Simultaneously, minor Cu addition can reduce the amount of MgO impurity significantly, also contributing to the improvement of J_c at low fields. Our work suggests that Cu-activated sintering combined with employment of carbon-coated amorphous boron as precursor could be a promising technique to produce practical MgB_2 bulks or wires with excellent J_c on an industrial scale.

  14. Systems Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O at 25 deg C. Sistemy Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O pri 25 grad S

    Energy Technology Data Exchange (ETDEWEB)

    Skvortsov, V G; Sadetdinov, Sh V; Akimov, V M; Mitrasov, Yu N; Petrova, O V; Klopov, Yu N [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (Russian Federation) Universitet Druzhby Narodov, Moscow (Russian Federation)

    1994-02-01

    Phase equilibriums in the Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM[sub 2]B[sub 4]O[sub 7][center dot]nN[sub 2]H[sub 3]C[sub 2]H[sub 4]OH[center dot]XH[sub 2]O, where M=Li, Na with hydrazine ethanol. K[sub 2]B[sub 4]O[sub 7][center dot]4H[sub 2]O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods.

  15. Synthesis of symmetrical 2,2',4,4'-tetrasubstituted [4,4'-bithiazole]-5,5'(4H,4'H)-diones and their reactions with some nucleophiles

    DEFF Research Database (Denmark)

    Andersen, Kenneth K.; Bray, Diana D.; Kjær, Anders

    1997-01-01

    steric factors. X-Ray crystallography established the structure of the dehydrodimer (4R*,4R'*)-2,2'-diethoxy-4,4'-dibenzyl-[4,4'-bithiazole]-5,5'(4H,4 'H)-dione. One stereoisomer of 2,2'-diphenyl-4,4'-dimethyl-[4,4'-bithiazole]-5,5'(4H,4'H)-dione and a mixture of the stereoisomers 2,2'-diphenyl-4......-carboxylic acid and piperidylamide, was established by X-ray crystallography. Treatment of stereoisomeric mixtures of 2,2'-diethoxy-4,4'-bithiazolones with HCl in benzene gave the corresponding racemic and meso bis-(N-carboxythioanhydride)s. A stereoisomeric mixture of the bis...

  16. Solvent-Dependent Delamination, Restacking, and Ferroelectric Behavior in a New Charge-Separated Layered Compound: [NH4 ][Ag3 (C9 H5 NO4 S)2 (C13 H14 N2 )2 ]⋅8 H2 O.

    Science.gov (United States)

    Sushrutha, Sringeri Ramesh; Mohana, Shivanna; Pal, Somnath; Natarajan, Srinivasan

    2017-01-03

    A new anionic coordination polymer, [NH 4 ][Ag 3 (C 9 H 5 NO 4 S) 2 (C 13 H 14 N 2 ) 2 ]⋅8 H 2 O, with a two-dimensional structure, has been synthesized by a reaction between silver nitrate, 8-hydroxyquinoline-5-sulfonic acid (HQS), and 4,4'-trimethylene dipyridine (TMDP). The compound stabilizes in a noncentrosymmetric space group, and the lattice water molecules and the charge-compensating [NH 4 ] + group occupy the inter-lamellar spaces. The lattice water molecules can be fully removed and reinserted, which is accompanied by a crystalline-amorphous-crystalline transformation. This transformation resembles the collapse/delamination and restacking of the layers. To the best of our knowledge, this is the first observation of delamination and restacking in an inorganic coordination polymer that contains silver. The presence of a natural dipole (the anionic framework and cationic ammonium ions) along with the noncentrosymmetric space group gives rise to the room-temperature ferroelectric behavior of the compound. The ferroelectric behavior is also water-dependent and exhibits a ferroelectric-paraelectric transformation. The temperature-dependent dielectric measurements indicate that the ferroelectric/ paraelectric transformation occurs at 320 K. This transformation has also been investigated by using in-situ IR spectroscopy and PXRD studies. The second-harmonic generation (SHG) study indicated values that are comparable to some of the known SHG solids, such as potassium dihydrogen phosphate (KDP) and urea. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Crystal structures of three co-crystals of 1,2-bis-(pyridin-4-yl)ethane with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1).

    Science.gov (United States)

    Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki

    2015-11-01

    The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-eth-oxy-benzoic acid mol-ecule and one half-mol-ecule of 1,2-bis-(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk-oxy-benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethane mol-ecule. In each crystal, the two components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming tape structures.

  18. Electronic and magnetic properties of SnS2 monolayer doped with 4d transition metals

    Science.gov (United States)

    Xiao, Wen-Zhi; Xiao, Gang; Rong, Qing-Yan; Chen, Qiao; Wang, Ling-Ling

    2017-09-01

    We investigate the electronic structures and magnetic properties of SnS2 monolayers substitutionally doped with 4-d transition-metal through systematic first principles calculations. The doped complexes exhibit interesting electronic and magnetic behaviors, depending on the interplay between crystal field splitting, Hund's rule, and 4d levels. The system doped with Y is nonmagnetic metal. Both the Zr- and Pd-doped systems remain nonmagnetic semiconductors. Doping results in half-metallic states for Nb-, Ru-, Rh-, Ag, and Cd doped cases, and magnetic semiconductors for systems with Mo and Tc dopants. In particular, the Nb- and Mo-doped systems display long-ranged ferromagnetic ordering with Curie temperature above room temperature, which are primarily attributable to the double-exchange mechanism, and the p-d/p-p hybridizations, respectively. Moreover, The Mo-doped system has excellent energetic stability and flexible mechanical stability, and also possesses remarkable dynamic and thermal (500 K) stability. Our studies demonstrate that Nb- and Mo-doped SnS2 monolayers are promising candidates for preparing 2D diluted magnetic semiconductors, and hence will be a helpful clue for experimentalists.

  19. Charge transfer processes in collisions of H+ ions with H2, D2, CO, CO2 CH4, C2H2, C2H6 and C3H8 molecules below 10 keV

    International Nuclear Information System (INIS)

    Kusakabe, T.; Buenker, R.J.; Kimura, M.

    2002-01-01

    Charge transfer processes resulting from collisions of H + ions with H 2 , D 2 , CO, CO 2 CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 molecules have been investigated in the energy range of 0.2 to 4.0 keV experimentally and theoretically. The initial growth rate method was employed in the experiment for studying the dynamics and cross sections. Theoretical analysis based on a molecular-orbital expansion method for H 2 , D 2 , CO, CH 4 and C 2 H 2 targets was also carried out. The present results for the H 2 , CO and CO 2 molecules by H + impact are found to be in excellent accord with most of previous measurements above 1 keV, but they show some differences below this energy where our result displays a stronger energy-dependence. For CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 targets, both experimental and theoretical results indicate that if one assumes vibrationally excited molecular ions (CH 4 + , C 2 H 2 + , C 2 H 6 + and C 3 H 8 + ) formed in the exit channel, then charge transfer processes sometimes become more favorable since these vibrationally excited fragments meet an accidental resonant condition. This is a clear indication of the role of vibrational excited states for charge transfer, and is an important realization for general understanding. (author)

  20. Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo[4,3-c][1,2]thiazin-1-ylacetate

    Directory of Open Access Journals (Sweden)

    Sana Aslam

    2012-10-01

    Full Text Available In the title molecule, C15H17N3O4S, the heterocyclic thiazine ring adopts a twist-boat conformation, which differs from that in related compounds, with adjacent S and C atoms displaced by 0.981 (4 and 0.413 (5 Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean plane of the benzene ring makes a dihedral angle of 23.43 (14° with the mean plane of the pyrazole ring. In the crystal, molecules are connected by weak C—H...O hydrogen bonds to form a three-dimensional network. The H atoms of the methyl group attached to the pyrazole ring were refined over six sites with equal occupancies.

  1. Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4).

    Science.gov (United States)

    Sevilla, Raquel; Less, Robert J; García-Rodríguez, Raúl; Bond, Andrew D; Wright, Dominic S

    2016-02-07

    The reaction of the phenylene-bridged precursor (1,4-C6H4)[N(PCl2)2]2 with (t)BuNH2 in the presence of Et3N gives the new ligand precursor (1,4-C6H4)[N(μ-N(t)Bu)2(PNH(t)Bu)2]2, deprotonation of which with Bu2Mg gives the novel tetraanion [(1,4-C6H4){N(μ-N(t)Bu)2(PN(t)Bu)2}2](4-).

  2. High critical currents in heavily doped (Gd,Y)Ba2Cu3Ox superconductor tapes

    International Nuclear Information System (INIS)

    Selvamanickam, V.; Gharahcheshmeh, M. Heydari; Xu, A.; Galstyan, E.; Delgado, L.; Cantoni, C.

    2015-01-01

    REBa 2 Cu 3 O x ((REBCO), RE = rare earth) superconductor tapes with moderate levels of dopants have been optimized for high critical current density in low magnetic fields at 77 K, but they do not exhibit exemplary performance in conditions of interest for practical applications, i.e., temperatures less than 50 K and fields of 2–30 T. Heavy doping of REBCO tapes has been avoided by researchers thus far due to deterioration in properties. Here, we report achievement of critical current densities (J c ) above 20 MA/cm 2 at 30 K, 3 T in heavily doped (25 mol. % Zr-added) (Gd,Y)Ba 2 Cu 3 O x superconductor tapes, which is more than three times higher than the J c typically obtained in moderately doped tapes. Pinning force levels above 1000 GN/m 3 have also been attained at 20 K. A composition map of lift factor in J c (ratio of J c at 30 K, 3 T to the J c at 77 K, 0 T) has been developed which reveals the optimum film composition to obtain lift factors above six, which is thrice the typical value. A highly c-axis aligned BaZrO 3 (BZO) nanocolumn defect density of nearly 7 × 10 11  cm −2 as well as 2–3 nm sized particles rich in Cu and Zr have been found in the high J c films

  3. Low-temperature solid-state preparation of ternary CdS/g-C_3N_4/CuS nanocomposites for enhanced visible-light photocatalytic H_2-production activity

    International Nuclear Information System (INIS)

    Cheng, Feiyue; Yin, Hui; Xiang, Quanjun

    2017-01-01

    Highlights: • CdS/g-C_3N_4/CuS composite were synthesized by low-temperature solid-state method. • CdS/g-C_3N_4/CuS show enhanced visible-light photocatalytic H_2 evolution activity. • The enhanced photocatalytic H_2 production activity is due to the heterojunction. • Heterojunction between the components promote charge separation/transfer property. - Abstract: Low-temperature solid-state method were gradually demonstrated as a high efficiency, energy saving and environmental protection strategy to fabricate composite semiconductor materials. CdS-based multiple composite photocatalytic materials have attracted increasing concern owning to the heterostructure constituents with tunable band gaps. In this study, the ternary CdS/g-C_3N_4/CuS composite photocatalysts were prepared by a facile and novel low-temperature solid-state strategy. The optimal ternary CdS/g-C_3N_4/CuS composite exhibits a high visible-light photocatalytic H_2-production rate of 57.56 μmol h"−"1 with the corresponding apparent quantum efficiency reaches 16.5% at 420 nm with Na_2S/Na_2SO_3 mixed aqueous solution as sacrificial agent. The ternary CdS/g-C_3N_4/CuS composites show the enhanced visible-light photocatalytic H_2-evolution activity comparing with the binary CdS-based composites or simplex CdS. The enhanced photocatalytic activity is ascribed to the heterojunctions and the synergistic effect of CuS and g-C_3N_4 in promotion of the charge separation and charge mobility. This work shows that the low-temperature solid-state method is efficient and environmentally benign for the preparation of CdS-based multiple composite photocatalytic materials with enhanced visible-light photocatalytic H_2-production activity.

  4. Effect of ball milling time on the hydrogen storage properties of TiF{sub 3}-doped LiAlH{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shu-Sheng [Materials and Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, Liaoning 116023 (China); Graduate School of Chinese Academy of Sciences, Beijing 100049 (China); Sun, Li-Xian; Zhang, Yao; Zhang, Jian; Chu, Hai-Liang; Fan, Mei-Qiang; Zhang, Tao [Materials and Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, Liaoning 116023 (China); Xu, Fen [Faculty of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029 (China); Song, Xiao-Yan [College of Materials Science and Engineering, Key Laboratory of Advanced Functional Materials, Chinese Education Ministry, Beijing University of Technology, Beijing 100124 (China); Grolier, Jean Pierre [Laboratory of Thermodynamics of Solutions and Polymers, Blaise Pascal University, 24 Avenue des Landais, 63177-Aubiere Cedex (France)

    2009-10-15

    In the present work, the catalytic effect of TiF{sub 3} on the dehydrogenation properties of LiAlH{sub 4} has been investigated. Decomposition of LiAlH{sub 4} occurs during ball milling in the presence of 4 mol% TiF{sub 3}. Different ball milling times have been used, from 0.5 h to 18 h. With ball milling time increasing, the crystallite sizes of LiAlH{sub 4} get smaller (from 69 nm to 43 nm) and the dehydrogenation temperature becomes lower (from 80 C to 60 C). Half an hour ball milling makes the initial dehydrogenation temperature of doped LiAlH{sub 4} reduce to 80 C, which is 70 C lower than as-received LiAlH{sub 4}. About 5.0 wt.% H{sub 2} can be released from TiF{sub 3}-doped LiAlH{sub 4} after 18 h ball milling in the range of 60 C-145 C (heating rate 2 C min{sup -1}). TiF{sub 3} probably reacts with LiAlH{sub 4} to form the catalyst, TiAl{sub 3}. The mechanochemical and thermochemical reactions have been clarified. However, the rehydrogenation of LiAlH{sub 4}/Li{sub 3}AlH{sub 6} can not be realized under 95 bar H{sub 2} in the presence of TiF{sub 3} because of their thermodynamic properties. (author)

  5. Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce, Nd.

    Science.gov (United States)

    De Almeida, Lucie; Grandjean, Stéphane; Rivenet, Murielle; Patisson, Fabrice; Abraham, Francis

    2014-03-28

    New hydrazinium lanthanide oxalates N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce (Ce-HyOx) and Nd (Nd-HyOx), were synthesized by hydrothermal reaction at 150 °C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2₁/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Å, β = 116.638(4)°, V = 2021.4(7) Å(3), Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO9 and NdO8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm(-1) confirms the coordination of N2H5(+) to the metal. These polyhedra are connected through μ2 and μ3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-HyOx) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO2 and Ce(0.5)Nd(0.5)O(1.75) are formed at low temperature from Ce-HyOx and CeNd-HyOx, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxymonocyanamides Ln2O2CN2 are formed.

  6. Electric field effect on the emission rate of H4F and H4S hole traps in InP

    International Nuclear Information System (INIS)

    Darwich, R.; Alek, B.

    2010-01-01

    The electric field effect on the emission rate enhancement of the H4 F and H4 S hole trap in highly Zn-doped InP has been examined using the deep level transient spectroscopy (DLTS) and double correlation DLTS (DDLTS). The DLTS and DDLTS results have been found to be in good agreement for low and intermediate electric fields, but they disagree for large field effect. Comparing our emission data with the theory, we have found that H4 F obeys the quantum model of phonon-assisted tunneling while H4 S follows the Poole-Frenkel model employing a three-dimensional screening coulombic potential. Our results show that the H4 S defect can be attributed to a charged (V p - Zn) complex. (author)

  7. HTS Nested magnet wound with 12 mm GdBCO tape and 4.4 mm YBCO tape

    International Nuclear Information System (INIS)

    Kang, Myung Hun; Ku, Myung Hwan; Cha, Guee Soo; Lim, Hyoung Woo

    2015-01-01

    The properties of High Temperature Superconducting (HTS) tapes are progressing, as HTS tapes evolve from 1st generation to 2nd generation. This paper presents design and construction of a 2nd generation HTS magnet consisting of two nested GdBCO and YBCO pancake coils. Two HTS tapes of different widths were used to wind the HTS nested magnet. Considering that a higher magnetic field is applied to the inner magnet than to the outer magnet, 12 mm GdBCO tape was used for winding the inner magnet, which consisted of four single pancake windings. Eight double pancake windings wound with 4.4 mm YBCO tapes were used for the outer magnet. The test results show that the central magnetic field of the HTS nested magnet was 920 mT. The measured critical currents of the inner and outer magnet at 77K were 80.8 A and 32.6 A, respectively

  8. S-I-N tunneling spectroscopy of MgB2 superconductor: evidence of two superconducting energy gaps

    International Nuclear Information System (INIS)

    Sen, Shashwati; Aswal, D.K.; Singh, Ajay; Gadkari, S.C.; Shah, K.; Gupta, S.K.; Sahni, V.C.

    2002-01-01

    The tunneling spectra of polycrystalline MgB 2 , have been recorded, at different temperatures between 29 K and T c , using planar superconductor- insulating-normal (S-I-N) tunneling spectroscopy. The planar S-I-N tunnel junctions have been fabricated by thermally evaporating Ag electrodes on MgB 2 surface. The naive layer, which forms at the surface of MgB 2 , due to atmospheric degradation, was employed as an insulating layer between Ag electrodes and MgB 2 . We have found presence of two clear superconducting energy gaps in MgB 2 . The magnitudes of these gaps at 29.5 K are 1.8 and 5.9 MeV, respectively. In the vicinity of T c , while larger energy gap obeyed BCS temperature dependence, the smaller energy gap deviated from BCS dependence. All the spectra exhibited zero-bias conductance, which decreased linearly with temperature and vanished at T c . (author)

  9. de Haas-van Alphen effect investigations of the electronic structure of pure and aluminum-doped MgB2

    International Nuclear Information System (INIS)

    Carrington, A.; Yelland, E.A.; Fletcher, J.D.; Cooper, J.R.

    2007-01-01

    Our understanding of the superconducting properties of MgB 2 is strongly linked to our knowledge of its electronic structure. In this paper we review experimental measurements of the Fermi surface parameters of pure and Al-doped MgB 2 using the de Haas-van Alphen (dHvA) effect. In general, the measurements are in excellent agreement with the theoretical predictions of the electronic structure, including the strength of the electron-phonon coupling on each Fermi surface sheet. For the Al doped samples, we are able to measure how the band structure changes with doping. These results are in excellent agreement with calculations based on the virtual crystal approximation. We also review work on the dHvA effect in the superconducting state

  10. Double Z-scheme ZnO/ZnS/g-C3N4 ternary structure for efficient photocatalytic H2 production

    Science.gov (United States)

    Dong, Zhifang; Wu, Yan; Thirugnanam, Natarajan; Li, Gonglin

    2018-02-01

    In the present work, a novel ZnO/ZnS/g-C3N4 ternary nanocomposite with double Z-scheme heterojunction has been designed via a two-step facile chemical conversion route. The spherical ZnS nanoparticles were uniformly loaded onto ZnO nanoflowers surface. And then the ZnO/ZnS nanocomposite was further hybridized with g-C3N4 nanosheets. Ternary ZnO/ZnS/g-C3N4 nanocomposite displays the largest specific surface area (about 76.2 m2/g), which provides plentiful activated sites for photocatalytic reaction. Furthermore, the ternary material exhibits the highest methylene blue photodegradation rate of about 0.0218 min-1 and the optimum photocatalytic H2 production (1205 μmol/g) over water splitting at 4 h under solar light irradiation. Moreover, it showed the highest photocurrent effect and the minimum charge-transfer resistance. These results implied that the higher photoactivity of ZnO/ZnS/g-C3N4 nanocomposite could be attributed to the multi-steps charge transfer and effective electron-hole separation in the double Z-scheme system.

  11. (3aS,7aS-5-[(S-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Huichun Zhu

    2010-01-01

    Full Text Available rac-Benzyl 3-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H-carboxylate was separated by chiral chromatography, and one of the enantiomers ([α]22D = +10° was hydrogenated in the presence of Pd/C in methanol, producing octahydro-3H-pyrrolo[3,4-c]pyridin-3-one. The latter was reacted with (2R-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride [(R-(−-Mosher acid chloride], giving rise to the title compound, C17H19F3N2O3·H2O. The present structure established the absolute configuration of the pyrrolopiperidine fragment based on the known configuration of the (R-Mosher acid chloride. The piperidine ring has a somewhat distorted chair conformation and is cis-fused with the five-membered envelope-shaped ring; the plane of the exocyclic amide bond is approximately orthogonal to the plane of the phenyl ring, making a dihedral angle of 82.31 (3°. The water molecule acts as an acceptor to the proton of the amino group in an N—H...O interaction, and as a double proton donor in O—H...O hydrogen bonds, generating infinite bands along the a axis.

  12. Synthesis and characterization of new 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives

    Directory of Open Access Journals (Sweden)

    S. Sarveswari

    2016-09-01

    Full Text Available The 4-hydroxy-3-(3-arylacryloylquinolin-2(1H-ones were synthesized from 3-acetyl-4-hydroxyquinolin-2(1H-one by microwave assisted synthesis, which in turn converted into their corresponding 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives.

  13. Study of the potential of three different MgB2 tapes for application in cylindrical coils operating at 20 K

    International Nuclear Information System (INIS)

    Pitel, J; Kováč, P; Tropeano, M; Grasso, G

    2015-01-01

    The goal of this theoretical study is to illustrate the potential of three different MgB 2 tapes, developed by Columbus Superconductors, for application in cylindrical coils. First, the distribution of critical currents and electric fields of individual turns is compared when the winding of the model coil is made with tapes having different I c (B) and anisotropy values. Second, the influence of the winding geometry on basic parameters of cylindrical coils which consist of a set of pancake coils, such as critical current I cmin , central magnetic field B 0 and stored energy E, is analysed. The winding geometry of the coils, i.e. the outer winding radius and the coil length, with the same inner winding radius, was changed from a disc shape to a long thin solenoid in such a way that the overall tape length was held constant, and considered as a parameter. Finally, the winding cross-section of the coil is optimized with respect to the constant tape length in order to reach the maximum central field. The results of calculations show that for a given overall tape length and inner winding radius there exists only one winding geometry which generates the maximum central field. The overall tape length, as a parameter, is changed in a broad range from 500 m to 10 km. All calculations were performed using the experimental data measured at 20 K while the effect of the anisotropy in the I c (B) characteristic of the short samples is taken into account. (paper)

  14. One-pot hydrothermal synthesis of Ni-doped ZnIn{sub 2}S{sub 4} nanostructured film photoelectrodes with enhanced photoelectrochemical performance

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Bing; Chen, Zhihong; Liu, Qiong; Zhang, Zhengguo; Fang, Xiaoming, E-mail: cexmfang@scut.edu.cn

    2016-05-01

    Graphical abstract: - Highlights: • Ni-doped ZnIn{sub 2}S{sub 4} photoelectrodes were synthesized by one-pot hydrothermal method. • Enhanced PEC performances are achieved by Ni-doped ZnIn{sub 2}S{sub 4} film photoelectrodes. • Ni-doped ZnIn{sub 2}S{sub 4} photoelectrodes possess superior photocarriers transfer abilities. • The optimal Ni content of ZnIn{sub 2}S{sub 4} photoelectrode is 2 wt%. - Abstract: Nanostructured Ni-doped ZnIn{sub 2}S{sub 4} films were prepared on the FTO conductive glass substrates by a one-pot hydrothermal method. The obtained films consist of nanosheets perpendicular to the FTO glass substrate, exhibiting a net-like porous microstructure. The doping of Ni into the lattice of ZnIn{sub 2}S{sub 4} is revealed by the X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM) characterizations. The results from the energy-dispersive spectroscopy (EDS) and X-ray photoelectron spectrometer (XPS) confirm the existence of Ni in the doped sample. The optical absorption of the Ni-doped samples is slightly stronger than that of the undoped one. Compared with the undoped sample, the Ni-doped ZnIn{sub 2}S{sub 4} photoelectrodes show enhanced photocurrent response and reach a maximum at the Ni content of 2 wt%. The carrier concentration and mobility of all the samples were estimated by using Hall measurements. The carrier concentration decreases with the increase of Ni content, and 2 wt% Ni-doped ZnIn{sub 2}S{sub 4} photoelectrode has the highest mobility, which is up to 840 cm{sup 2}/Vs. The results from the electrochemical impedance spectroscopy (EIS) measurements indicate that the lowest charge transfer resistance is achieved by the 2 wt% Ni-doped ZnIn{sub 2}S{sub 4} photoelectrode, agreeing with its best PEC performance. The photocurrent densities vs. time curves demonstrate that the stability of the 2 wt% Ni-doped ZnIn{sub 2}S{sub 4} photoelectrode is better than that of the undoped one. The enhanced PEC performance

  15. Thickness dependence of J_c (0) in MgB_2 films

    International Nuclear Information System (INIS)

    Chen, Yiling; Yang, Can; Jia, Chunyan; Feng, Qingrong; Gan, Zizhao

    2016-01-01

    Highlights: • A serial of MgB_2 superconducting films from 10 nm to 8 µm have been prepared. • T_c and J_c (5 K, 0 T) of films are high. • J_c (5 K, 0 T) reaches its maximum 2.3 × 10"8 A cm"−"2 for 100 nm films. • The relationship between thickness and J_c has been discussed in detail. - Abstract: MgB_2 superconducting films, whose thicknesses range from 10 nm to 8 µm, have been fabricated on SiC substrates by hybrid physical–chemical vapor deposition (HPCVD) method. It is the first time that the T_c and the J_c of MgB_2 films are studied on such a large scale. It is found that with the increasing of thickness, T_c elevates first and then keeps roughly stable except for some slight fluctuations, while J_c (5 K, 0 T) experiences a sharp increase followed by a relatively slow fall. The maximum J_c (5 K, 0 T) = 2.3 × 10"8 A cm"−"2 is obtained for 100 nm films, which is the experimental evidence for preparing high-quality MgB_2 films by HPCVD method. Thus, this work may provide guidance on choosing the suitable thickness for applications. Meanwhile, the films prepared by us cover ultrathin films, thin films and thick films, so the study on them will bring a comprehensive understanding of MgB_2 films.

  16. 3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H)-thione.

    Science.gov (United States)

    Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Pachuta-Stec, Anna; Stańczuk, Andrzej

    2013-02-01

    The title compound, C(11)H(13)N(3)S, exists in the 5-thioxo tautomeric form. The benzene ring exhibits disorder with a refined ratio of 0.77 (2):0.23 (2) for components A and B with a common bridgehead C atom. The 1,2,4-triazole ring is essentially planar, with a maximum deviation of 0.002 (3) Å for the benzyl-substituted C atom, and forms dihedral angles of 88.94 (18) and 86.56 (49)° with the benzene rings of components A and B, respectively. The angle between the plane of the ethyl chain and the mean plane of 1,2,4-triazole ring is 88.55 (15)° and this conformation is stabilized by an intra-molecular C-H⋯S contact. In the crystal, pairs of N-H⋯S hydrogen bonds link mol-ecules into inversion dimers. π-π inter-actions are observed between the triazole and benzene rings, with centroid-centroid separations of 3.547 (4) and 3.544 (12) Å for components A and B, and slippages of 0.49 (6) and 0.58 (15) Å, respectively.

  17. Influence of Zr and Ce doping on electromagnetic properties of (Gd,Y)-Ba-Cu-O superconducting tapes fabricated by metal organic chemical vapor deposition

    International Nuclear Information System (INIS)

    Selvamanickam, V.; Chen, Y.; Xie, J.; Zhang, Y.; Guevara, A.; Kesgin, I.; Majkic, G.; Martchevsky, M.

    2009-01-01

    (Gd,Y)Ba 2 Cu 3 O x tapes have been fabricated by metal organic chemical vapor deposition (MOCVD) with Zr-doping levels of 0-15 mol.% and Ce doping levels of 0-10 mol.% in 0.4 μm thick films. The critical current density (J c ) of Zr-doped samples at 77 K, 1 T applied in the orientation of H -parallel c is found to increase with Zr content and shows a maximum at 7.5% Zr doping. The 7.5% Zr-doped sample exhibits a critical current density (J c ) of 0.95 MA/cm 2 at H -parallel c which is more than 70% higher than the J c of the undoped sample. The peak in J c at H -parallel c is 83% of that at H -parallel a-b in the 7.5% Zr-doped sample which is more than twice as that in the undoped sample. Superconducting transition temperature (T c ) values as high as about 89 K have been achieved in samples even with 15% Zr and 10% Ce. Ce-doped samples with and without Ba compensation are found to exhibit substantially different J c values as well as angular dependence characteristics.

  18. Influence of Zr and Ce doping on electromagnetic properties of (Gd,Y)-Ba-Cu-O superconducting tapes fabricated by metal organic chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Selvamanickam, V., E-mail: selva@uh.ed [Department of Mechanical Engineering and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Rd., Houston, TX 77204-4006 (United States); Chen, Y.; Xie, J. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Zhang, Y.; Guevara, A.; Kesgin, I.; Majkic, G. [Department of Mechanical Engineering and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Rd., Houston, TX 77204-4006 (United States); Martchevsky, M. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States)

    2009-12-01

    (Gd,Y)Ba{sub 2}Cu{sub 3}O{sub x} tapes have been fabricated by metal organic chemical vapor deposition (MOCVD) with Zr-doping levels of 0-15 mol.% and Ce doping levels of 0-10 mol.% in 0.4 mum thick films. The critical current density (J{sub c}) of Zr-doped samples at 77 K, 1 T applied in the orientation of H -parallel c is found to increase with Zr content and shows a maximum at 7.5% Zr doping. The 7.5% Zr-doped sample exhibits a critical current density (J{sub c}) of 0.95 MA/cm{sup 2} at H -parallel c which is more than 70% higher than the J{sub c} of the undoped sample. The peak in J{sub c} at H -parallel c is 83% of that at H -parallel a-b in the 7.5% Zr-doped sample which is more than twice as that in the undoped sample. Superconducting transition temperature (T{sub c}) values as high as about 89 K have been achieved in samples even with 15% Zr and 10% Ce. Ce-doped samples with and without Ba compensation are found to exhibit substantially different J{sub c} values as well as angular dependence characteristics.

  19. Synthesis of binuclear rhodacarboranes from dianions 1,4- and 1,3-C6H4(CH2-9-C2H2B9H9-7,8-nido)22- and (Ph3P)3RhCl

    International Nuclear Information System (INIS)

    Zakharkin, L.I.; Zhigareva, G.G.

    1996-01-01

    Dianions 1,4 and 1,3-C 6 H 4 (CH 2 -9-C 2 H 2 B 9 H 9 -7,8-nido) 2 2- obtained from nido 7,8-dicarbollide-ion and 1,4-bis(bromomethyl) and 1,3-bis(bromomethyl)benzenes react with (Ph 3 P) 3 RhCl to give binuclear rhodacarboranes, 1,4- and 1,3-[3,3-(Ph 3 P) 2 -3-H-3,1,2-RhC 2 B 9 H 10 -4-CH 2 ] 2 C 6 H 6 with chemical reaction yield 85% and 87% respectively. 7 refs., 1 fig., 1 tab

  20. Design of MgB2 Superconducting coils for the Ignitor Experiment*

    Science.gov (United States)

    Grasso, G.; Penco, R.; Berta, S.; Coppi, B.; Giunchi, G.

    2009-11-01

    A feasibility study for the adoption of MgB2 superconducting cables for the largest (about 5 m in diameter) of the poloidal field coils of the Ignitor machine is being carried out. This initiative was prompted by the progress made in the fabrication of MgB2 long cables, and related superconducting magnets of relatively large dimensions. These magnets will be cryocooled at the operating temperature of 10-15 K that is compatible with the He-gas cryogenic cooling system of Ignitor as well as with the projected superconducting current density of the MgB2 material, at the magnetic field values (˜4-5 T) in which these coils are designed to operate. The optimal cable configuration has been identified that can provide an efficient cooling of the MgB2 conductors over times compatible with the machine duty cycles. MgB2 superconductors hold the promise of becoming suitable for high field magnets by appropriate doping of the material and of replacing gradually the normal conducting coils adopted, by necessity, in high field experiments. Therefore, an appropriate R&D program on the development of improved MgB2 material and related superconducting cabling options has been undertaken, involving different institutions.

  1. Quench Property of Twisted-Pair MgB$_2$ Superconducting Cables in Helium Gas

    CERN Document Server

    Spurrell, J; Falorio, I; Pelegrin, J; Ballarino, A; Yang, Y

    2015-01-01

    CERN's twisted-pair superconducting cable is a novel design which offers filament transposition, low cable inductance and is particularly suited for tape conductors such as 2G YBCO coated conductors, Ag-sheathed Bi2223 tapes and Ni/Monel-sheathed MgB2 tapes. A typical design of such twistedpair cables consists of multiple superconducting tapes intercalated with thin copper tapes as additional stabilizers. The copper tapes are typically not soldered to the superconducting tapes so that sufficient flexibility is retained for the twisting of the tape assembly. The electrical and thermal contacts between the copper and superconducting tapes are an important parameter for current sharing, cryogenic stability and quench propagation. Using an MgB2 twisted-pair cable assembly manufactured at CERN, we have carried out minimum quench energy (MQE) and propagation velocity (vp) measurements with point-like heat deposition localized within a tape. Furthermore, different contacts between the copper and superconductor aroun...

  2. Efficient removal of H2S at high temperature using the ionic liquid solutions of [C4mim]3PMo12O40-An organic polyoxometalate.

    Science.gov (United States)

    Ma, Yunqian; Liu, Xinpeng; Wang, Rui

    2017-06-05

    An innovative approach to H 2 S capture and sulfur recovery via liquid redox at high temperature has been developed using [C 4 mim] 3 PMo 12 O 40 at temperatures ranging from 80 to 180°C, which is superior to the conventional water-based system with an upper limit of working temperature normally below 60°C. The ionic liquids used as solvents include [C 4 mim]Cl, [C 4 mim]BF 4 , [C 4 mim]PF 6 and [C 4 mim]NTf 2 . Microscopic observation and turbidity measurement were used to investigate the dissolution of [C 4 mim] 3 PMo 12 O 40 in the ionic liquids. Stabilization energy between H 2 S and the anion of ionic liquid as well as H 2 O was calculated to illustrate the interaction between H 2 S and the solvents. The cavity theory can be adopted to illustrate the mechanism for H 2 S absorption: the Cl - ion with small radius can be incorporated into the cavities of [C 4 mim] 3 PMo 12 O 40 , and interact with H 2 S strongly. The underlying mechanism for sulfur formation is the redox reaction between H 2 S and PMo 12 O 40 3- . H 2 S can be oxidized to elemental sulfur and Mo 6+ is partly reduced during absorption, according to UV-vis and FTIR spectra. The [C 4 mim] 3 PMo 12 O 40 -[C 4 mim]Cl after reaction can be readily regenerated by air and thus enabling its efficient and repeatitive use. The absorbent of [C 4 mim] 3 PMo 12 O 40 -ionic liquid system provides a new approach for wet oxidation desulfurization at high temperature. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Carbon-coated boron using low-cost naphthalene for substantial enhancement of Jc in MgB2 superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Ranot, Mahipal; Shinde, K. P.; Oh, Y. S.; Kang, S. H.; Jang, S. H.; Hwang, D. Y.; Chung, K. C. [Korea Institute of Materials Science, Changwon (Korea, Republic of)

    2017-09-15

    Carbon coating approach is used to prepare carbon-doped MgB{sub 2} bulk samples using low-cost naphthalene (C{sub 10}H{sub 8}) as a carbon source. The coating of carbon (C) on boron (B) powders was achieved by direct pyrolysis of naphthalene at 120 degrees C and then the C-coated B powders were mixed well with appropriate amount of Mg by solid state reaction method. X-ray diffraction analysis revealed that there is a noticeable shift in (100) and (110) Bragg reflections towards higher angles, while no shift was observed in (002) reflections for MgB2 doped with carbon. As compared to un-doped MgB{sub 2}, a systematic enhancement in Jc(H) properties with increasing carbon doping level was observed for naphthalene-derived C-doped MgB{sub 2} samples. The substantial enhancement in Jc is most likely due to the incorporation of C into MgB{sub 2} lattice and the reduction in crystallite size, as evidenced by the increase in the FWHM values for doped samples.

  4. Influence of chromium III ions on the electrical properties of NaNH4SO4.2H2O crystals

    International Nuclear Information System (INIS)

    Kassem, M.E.; El-Wahidy, E.F.; Hedewy, S.; Darwish, H.G.; Ramadan, T.

    1991-07-01

    The dielectric constant, ε, and electric conductivity, σ, of pure and Cr +3 doped samples of NaNH 4 SO 4 .2H 2 O are measured in the temperature range 20-300 K. The maximum value of dielectric constant in different crystallographic axes is presented and discussed. The effect of foreign ions on the critical behaviour and transition temperature T c is studied. (author). 18 refs, 2 figs, 1 tab

  5. Assembly of [Cu2(COO)4] and [M3(μ3-O)(COO)6] (M = Sc, Fe, Ga, and In) building blocks into porous frameworks towards ultra-high C2H2/CO2 and C2H2/CH4 separation performance.

    Science.gov (United States)

    Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Qu, Peng; Zhai, Quan-Guo

    2018-02-20

    A porous MOF platform (SNNU-65s) formed by creatively combining paddle-wheel-like [Cu 2 (COO) 4 ] and trigonal prismatic [M 3 (μ 3 -O)(COO) 6 ] building blocks was designed herein. The mixed and high-density open metal sites and the OH-functionalized pore surface promote SNNU-65s to exhibit ultra-high C 2 H 2 uptake and separation performance. Impressively, SNNU-65-Cu-Ga stands out for the highest C 2 H 2 /CO 2 (18.7) and C 2 H 2 /CH 4 (120.6) selectivity among all the reported MOFs at room temperature.

  6. Hall conductivity and the vortex phase in MgB2 thin films

    International Nuclear Information System (INIS)

    Jung, Soon-Gil; Seong, W K; Huh, Ji Young; Lee, T G; Kang, W N; Choi, Eun-Mi; Kim, Heon-Jung; Lee, Sung-Ik

    2007-01-01

    In a MgB 2 thin film superconductor, we have found that Hall conductivity (σ xy ) is described by the sum of two terms, σ xy = C 1 /H+C 3 H, where C 1 and C 3 are independent of the magnetic fields and have positive values. C 1 is observed to be proportional to (1-t) n with n = 4.2, where t is the reduced temperature (T/T c ), and C 3 is weakly dependent on the temperature. These results are consistent with those of the overdoped La 2-x Sr x CuO 4 superconductors. Based on Hall angle data, we obtained a vortex phase diagram with three regions, vortex-solid, crossover, and vortex-liquid regions in the H-T plane

  7. Characterisation and luminescence studies of Tm and Na doped magnesium borate phosphors.

    Science.gov (United States)

    Ekdal, E; Garcia Guinea, J; Karabulut, Y; Canimoglu, A; Harmansah, C; Jorge, A; Karali, T; Can, N

    2015-09-01

    In this study, structural and luminescence properties of magnesium borate of the form MgB4O7 doped with Tm and Na were investigated by X-ray diffraction (XRD), Raman spectroscopy and cathodoluminescence (CL). The morphologies of the synthetised compounds exhibit clustered granules and road-like materials. As doping trivalent ions into a host with divalent cations requires charge compensation, this effect is discussed. The CL spectra of undoped MgB4O7 shows a broad band emission centred around 350 nm which is postulated to be produced by self-trapped excitons and some other defects. From the CL emission spectrum, main emission bands centred at 360, 455, 475 nm due to the respective transitions of (1)D2→(3)H6,(1)D2→(3)F4 and (1)G4→(3)H6 suggest the presence of Tm(3+) ion in MgB4O7 lattice site. CL mechanism was proposed to explain the observed phenomena which are valuable in possibility of the developing new luminescent materials for different applications. In addition, the experimental Raman spectrum of doped and undoped MgB4O7 were reported and discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. High purity and semi-insulating 4H-SiC crystals grown by physical vapor transport

    Energy Technology Data Exchange (ETDEWEB)

    Augustine, G.; Hobgood, H.McD.; Balakrishna, V.; Dunne, G.T.; Hopkins, R.H.; Thomas, R.N. [Northrop Grumman Corp., Pittsburgh, PA (United States). Science and Technology Center; Doolittle, W.A.; Rohatgi, A. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Electrical and Computer Engineering

    1998-06-01

    High purity undoped and semi-insulating vanadium doped 4H-SiC single crystals with diameters up to 50 mm were grown by the physical vapor transport method. Undoped crystals exhibiting resistivities in the 10{sup 2} to 10{sup 3} {Omega}-cm range and photoconductive decay (PCD) lifetimes in the 2 to 9 {mu}s range, were grown from high purity SiC sublimation sources. The crystals were p-type due to the presence of residual acceptor impurities, mainly boron. The semi-insulating behavior of the vanadium doped crystals is attributed to compensation of residual acceptors by the deep level vanadium donor located near the middle of the band gap. (orig.) 6 refs.

  9. Obtention of agricultural gypsum traced on 34 S (Ca34 SO4.2H2O), by chemical reaction between H234 SO4 and Ca(OH)2

    International Nuclear Information System (INIS)

    Rossete, Alessandra L.R.M.; Bendassolli, Jose A.; Ignoto, Raquel de Fatima; Batagello, Hugo Henrique

    2002-01-01

    The gypsum (CaSO 4 .2H 2 O) has double function in the soil: as source of calcium and sulfur and reducing agent of aluminum saturation. The sulfur for the plants has acting in the vital functions and it is proven fact increase of the S deficiency in Brazilian soils. The isotope tracer 34 S can elucidate important aspects in the sulfur cycle. The Ca 34 SO 4 .2H 2 O was obtained by chemical reaction between Ca(OH) 2 and H 2 34 SO 4 solution. The acid was obtained by chromatography ionic change, using cationic resin Dowex 50WX8 and Na 2 34 SO 4 solution. The reaction was realized under slow agitation. After the reaction, the precipitate was separated and dried in ventilated stove at 60 deg C temperature. The Mass of the Ca 34 SO 4 .2H 2 O produced was determined by method gravimetric. This way, a system contends resin 426 cm 3 , considering volume of 2.2 liters can be obtained a solution contends 44.2 g of H 2 34 SO 4 , theoretically could be produced 78.0 g of Ca 34 SO 4 .2H 2 O approximately. With results of the tests were verified that there was not total precipitation of the Ca 34 SO 4 .2H 2 O. Were produced 73.7± 0.6 g of Ca 34 SO 4 .2H 2 O representing average income 94.6±0.8 %. The purity of the produced CaSO 4 .2H 2 O was 98%. (author)

  10. Optimization of Electrochemical Performance of LiFePO4/C by Indium Doping and High Temperature Annealing

    Directory of Open Access Journals (Sweden)

    Ajay Kumar

    2017-10-01

    Full Text Available We have prepared nano-structured In-doped (1 mol % LiFePO4/C samples by sol–gel method followed by a selective high temperature (600 and 700 °C annealing in a reducing environment of flowing Ar/H2 atmosphere. The crystal structure, particle size, morphology, and magnetic properties of nano-composites were characterized by X-ray diffraction (XRD, scanning electron microsopy (SEM, transmission electron microscopy (TEM, and 57Fe Mössbauer spectroscopy. The Rietveld refinement of XRD patterns of the nano-composites were indexed to the olivine crystal structure of LiFePO4 with space group Pnma, showing minor impurities of Fe2P and Li3PO4 due to decomposition of LiFePO4. We found that the doping of In in LiFePO4/C nanocomposites affects the amount of decomposed products, when compared to the un-doped ones treated under similar conditions. An optimum amount of Fe2P present in the In-doped samples enhances the electronic conductivity to achieve a much improved electrochemical performance. The galvanostatic charge/discharge curves show a significant improvement in the electrochemical performance of 700 °C annealed In-doped-LiFePO4/C sample with a discharge capacity of 142 mAh·g−1 at 1 C rate, better rate capability (~128 mAh·g−1 at 10 C rate, ~75% of the theoretical capacity and excellent cyclic stability (96% retention after 250 cycles compared to other samples. This enhancement in electrochemical performance is consistent with the results of our electrochemical impedance spectroscopy measurements showing decreased charge-transfer resistance and high exchange current density.

  11. 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM)-doping density dependence of luminescence spectra and white emission in polymer light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, Akinori; Hosokawa, Takeshi; Haishi, Motoki; Ohtani, Naoki [Department of Electronics, Doshisha University, Tatara-Miyakodani, Kyotanabe-shi, Kyoto (Japan)

    2009-01-15

    We fabricated white polymer light-emitting diodes (PLEDs), in which the active region is doped with a low-weight molecule. The host polymer material is Poly(9,9-didodecyl-fluorenyl-2,7-yleneethylnylene) (PFO), while the guest luminescent low-weight-molecule is 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM). The photoluminescence (PL) and electroluminescence (EL) spectra strongly depend on DCM-doping-density. However, the most suitable DCM-doping-densities for white emissions in PL and EL are slightly different. This discrepancy is caused by the difference in excitation efficiencies. The photo-excitation system for PL measurement is better than the current injection for generating carriers efficiently. Thus, the realization of the white EL signal requires the larger DCM-doping-density than that of the white PL signal. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Reaction of the C2H radical with 1-butyne (C4H6): Low Temperature Kinetics and Isomer-Specific Product Detection

    Energy Technology Data Exchange (ETDEWEB)

    Soorkia, Satchin; Trevitt, Adam J.; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.; Wilson, Kevin R.; Leone, Stephen R.

    2009-12-22

    The rate coefficient for the reaction of the ethynyl radical (C{sub 2}H) with 1-butyne (H-C{triple_bond}C-CH{sub 2}-CH{sub 3}) is measured in a pulsed Laval nozzle apparatus. Ethynyl radicals are formed by laser photolysis of acetylene (C{sub 2}H{sub 2}) at 193 nm and detected via chemiluminescence (C{sub 2}H + O{sub 2} {yields} CH (A{sup 2}{Delta}) + CO{sub 2}). The rate coefficients are measured over the temperature range of 74-295 K. The C{sub 2}H + 1-butyne reaction exhibits no barrier and occurs with rate constants close to the collision limit. The temperature dependent rate coefficients can be fit within experimental uncertainties by the expression k = (2.4 {+-} 0.5) x 10{sup -10} (T/295 K)-(0.04 {+-} 0.03) cm{sup 3} molecule{sup -1}s{sup -1}. Reaction products are detected at room temperature (295 K) and 533 Pa using a Multiplexed Photoionization Mass Spectrometer (MPIMS) coupled to the tunable VUV synchrotron radiation from the Advanced Light Source at the Lawrence Berkeley National Laboratory. Two product channels are identified for this reaction: m/z = 64 (C{sub 5}H{sub 4}) and m/z = 78 (C{sub 6}H{sub 6}) corresponding to the CH{sub 3}- and H-loss channels, respectively. Photoionization efficiency (PIE) curves are used to analyze the isomeric composition of both product channels. The C{sub 5}H{sub 4} products are found to be exclusively linear isomers composed of ethynylallene and methyldiacetylene in a 4:1 ratio. In contrast, the C{sub 6}H{sub 6} product channel includes two cyclic isomers, fulvene 18({+-}5)% and 3,4-dimethylenecyclobut-1-ene 32({+-}8)%, as well as three linear isomers, 2-ethynyl-1,3-butadiene 8({+-}5)%, 3,4-hexadiene-1-yne 28({+-}8)% and 1,3-hexadiyne 14({+-}5)%. Within experimental uncertainties, we do not see appreciable amounts of benzene and an upper limit of 10% is estimated. Diacetylene (C{sub 4}H{sub 2}) formation via the C{sub 2}H{sub 5}-loss channel is also thermodynamically possible but cannot be observed due to experimental

  13. Synthesis, physical-chemical properties of 2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioacetohydrazides

    Directory of Open Access Journals (Sweden)

    O. A. Suhak

    2017-04-01

    Full Text Available Aim. Analysis of the scientific literature over the past decade has shown that large synthetic possibilities towards creating new and effective drug substances have heterocyclic compounds, in particular the derivatives of 1,2,4-triazole. 1,2,4-Triazole is a structural fragment of many synthetic drugs. The special interest cause ylidene hydrazides of 2-(5-R-1,2,4-triazole-3-ylthioacetic acids as potential biologically active compounds, among which highly effective medicines can be found. With the aim of finding new biologically active compounds the derivatives of 2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazides have been synthesized, their physical-chemical properties have been studied with the use of modern methods, namely elemental analysis, IR,1H-NMR spectroscopy, and their individuality by HPLC-MS. Materials and methods. N'-R1-еden-2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazides were received by adding aromatic (2-BrC6H4, 2,3-(OCH32C6H3, 3,5-(OCH32C6H3, 4-N(CH32C6H4, 3,4-F2C6H3, 2-NO2C6H4,4-NO2C6H4, 4-OHC6H4, 2-OHC6H4, 4-FC6H4, 2-CI-6-FC6H3 or heterocyclic (2-SC4H3, 5-NO2-2-C4H2O aldehyde to an equivalent amount of the appropriate 2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazide in the acetic acid medium. The study of physical-chemical properties of obtained compounds was carried out according to the methods outlined in SPU. Chromato-mass-spectral studies were performed on hazarding chromatograph Agilent 1260 Infinity HPLC equipped with mass spectrometer Agilent 6120 with ionization in electro-spray (ESI. Conclusion. This suggests the possibility for further study of biological action of the synthesized compounds. As a result of studies the N'-R1-eden-2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazides have been synthesized and their physical-chemical properties have been studied.

  14. Synthesis and structural stability of Cr-doped Li2MnSiO4/C cathode materials by solid-state method

    Science.gov (United States)

    Cheng, Hong-Mei; Zhao, Shi-Xi; Wu, Xia; Zhao, Jian-Wei; Wei, Lei; Nan, Ce-Wen

    2018-03-01

    The crystal structure of the Li2MnSiO4 cathode material would collapse during the charge and discharge process because of that the Mn-O coordination polyhedron changed from [MnO4] into [MnO6] in the process of Mn+2 to Mn+4, but the Cr element could remain [CrO4] crystal ligand from Cr+2 to Cr+4, so Cr element substitution was used to improve the structural stability of the Li2MnSiO4 cathode material. In this work, Li2Mn1-xCrxSiO4/C nanocomposites were synthesized by solid-state method. XRD, SEM and TEM observations show that the as-prepared Li2Mn1-xCrxSiO4/C materials presents an orthorhombic crystal structure (S.G. Pmn21), the particle size of Li2Mn1-xCrxSiO4/C powder ranges from 50 to 100 nm. The XRD and XPS results indicate that Cr+2 is successfully doped into Li2MnSiO4 lattice and has well compatibility with Li2MnSiO4. The electrochemical results display that Li2Mn92.5%Cr7.5%SiO4/C exhibits significantly enhanced cycle stability and discharge capability. The initial discharge capacity of the Li2Mn92.5%Cr7.5%SiO4/C sample is 255 mAh g-1, and the discharge capacity was still about 60 mAh g-1 after 50 cycles. Furthermore, the XRD patterns, TEM images and Raman analysis reveal that the Cr doping enhances the structural stability of Li2Mn1-xCrxSiO4/C and improves the electrochemical activity of the cathode. Thus, the Li2Mn92.5%Cr7.5%SiO4/C have shown potential applications for lithium ion batteries.

  15. Theoretical investigation of the vortex state in new superconductors: MgB2 and PrOs4Sb12

    International Nuclear Information System (INIS)

    Dao, V.H.

    2006-01-01

    As illustrated by the present thesis work, gap function anisotropy and crystal anisotropy are combined when influencing superconducting properties under a magnetic field. In order to study the mixed state of the recently discovered multiband superconductor MgB 2 , we first derive the Ginzburg-Landau functional for a two-gap superconductor from a weak coupling BCS model. The interaction between the two condensates is then described by a unique Josephson-type coupling. The two-gap theory then enables to explain the curvature and the anisotropy of the upper critical field, as well as the 30 degrees change of orientation for the vortex lattice which is observed when increasing the strength of the magnetic field applied along the c-tilde axis. Besides, we investigate the vortex lattice geometry in the superconducting heavy fermion PrOs 4 Sb 12 . When taking into account non local corrections for an s-wave T h -tetrahedral superconductor, we can explain the observed deformation of the lattice by the crystal symmetry of the compound. Ab initio results of the band structures confirm quantitatively our analysis. (author)

  16. Carbon Nitrogen Co-Doped P25: Parameter Study on Photodegradation of Reactive Red 4

    Directory of Open Access Journals (Sweden)

    Azami M. S.

    2016-01-01

    Full Text Available Photocatalytic degradation rate of reactive red 4 (RR4 using carbon coated nitrogen doped TiO2 (C N co-doped TiO2 in photocatalysis process is main goal on this research. The main operating the parameters such as effect of initial dye concentration, catalyst loading, aeration flow rate and initial pH on degradation of RR4 under 45 W fluorescent lamp was investigated. photocatalytic activity of RR4 dye decreased with increasing RR4 dye concentration. The optimum loading is around 0.04 g and optimum aeration rate is about 25 mL min-1 of C N co-doped TiO2. Effect of pH was conducted based on the optimum loading and conclude that the photocatalytic degradation of RR4 became faster at pH 2 - 7. For the future work, the modification of doping with others element like non-metal or metal with C N co-doped TiO2 can be enhanced toward the higher efficieny of photodegradation under visible light. Moreover, the immobilized technique can be used in future to overcome the difficulty of filtration on suspension.

  17. Densification behavior, doping profile and planar waveguide laser performance of the tape casting YAG/Nd:YAG/YAG ceramics

    Science.gov (United States)

    Ge, Lin; Li, Jiang; Qu, Haiyun; Wang, Juntao; Liu, Jiao; Dai, Jiawei; Zhou, Zhiwei; Liu, Binglong; Kou, Huamin; Shi, Yun; Wang, Zheng; Pan, Yubai; Gao, Qingsong; Guo, Jingkun

    2016-10-01

    The sintering behavior and doping concentration profile of the planar waveguide YAG/Nd:YAG/YAG ceramics by the tape casting and solid-state reaction method were investigated on the basis of densification trajectory, microstructure evolution, and Nd3+ ions diffusion. The porosity of the green body by tape casting and cold isostatic pressing is about 38.6%. And the green bodies were consolidated from 1100 °C to 1800 °C for 0.5-20 h to study the densification and the doping diffusion behaviors. At the temperature higher than 1500 °C, pure YAG phase is formed, followed by the densification and grain growth process. With the increase of temperature, two sintering stages occur, corresponding to remarkable densification and significant grain growth, respectively. The mechanism controlling densification at 1550 °C is grain boundary diffusion. The diffusion of Nd3+ ions is more sensitive to temperature than the sintering time, and the minimum temperature required for the obvious diffusion of Nd3+ ions is higher than 1700 °C. Finally, planar waveguide YAG/1.5 at.%Nd:YAG/YAG transparent ceramics with in-line transmittance of 84.8% at 1064 nm were obtained by vacuum-sintering at 1780 °C for 30 h. The fluorescence lifetime of 4F3/2 state of Nd3+ in the specimen is about 259 μs. The prepared ceramic waveguide was tested in a laser amplifier and the laser pulse was amplificated from 87 mJ to 238 mJ, with the pump energy of 680 mJ.

  18. Pseudo Jahn–Teller distortion for a tricyclic carbon sulfide (C{sub 6}S{sub 8}) and its suppression in S-oxygenated dithiine (C{sub 4}H{sub 4}(SO{sub 2}){sub 2})

    Energy Technology Data Exchange (ETDEWEB)

    Pratik, Saied Md.; Chowdhury, Chandra; Bhattacharjee, Rameswar; Jahiruddin, Sk.; Datta, Ayan, E-mail: spad@iacs.res.in

    2015-10-16

    Highlights: • DFT calculations show that sulfur rich cyclic molecules are generally distorted. • Such distortions are shown to arise from Pseudo Jahn–Teller (PJT) effects. • Low OMO–UMO gaps leads to strong vibronic instability for these systems. • Increasing the OMO–UMO gaps by substituting electronegative groups on the cyclic rings decreases PJT effects. • Suppressed PJT instability lead to planar sulfur rich cyclic molecules. - Abstract: The tricyclic carbon-sulfide, C{sub 6}S{sub 8} molecule containing two S-atoms in the 1,4-position of the central six-membered ring and one disulfide (S−S) and one thione (C=S) bond on the five membered rings on its either side (1) possesses a “butterfly flapping” type distorted ground state in the gas-phase and also in β-phase of the crystal. For the isolated molecule, better consideration of the S…S non-bonding interactions in the dithiine ring in the bent form at the M06-2X/6-31+G(d,p) level leads to a significant barrier for inversion of 2.4 kcal/mol which is 2–3 times more than that previously obtained by Weber and Dolg at the B3LYP/cc-pVTZ level due to underestimation of dispersion interactions at the B3LYP level. The origin of the distortion leading to lowering of symmetry for 1 (C{sub 2h} → C{sub 2}) is traced to vibronic mixing between the ground state (Ag) and the low lying excited states of A{sub u} symmetry through the a{sub u} normal mode, a (1A{sub g} + 1A{sub u} + 2A{sub u} + 3A{sub u}) × a{sub u} pseudo Jahn–Teller effect (PJTE) problem. Based on fitting of the ground state APES to the lowest root of the 4 × 4 secular determinant, we calculate the linear vibronic coupling constants (F{sub 0i}) between the relevant states. Similar in class to 1, the S-oxygenated derivative of dithiine, C{sub 4}H{sub 4}(SO{sub 2}){sub 2} (2) unlike most other dithiines, remains planar. The absence of the butterfly-type puckered structure in 2 is traced to the enhanced gap (Δ{sub 0}) and very small

  19. Synthesis of 4-Triazolylamino- and 4-Benzothiazolylamino-3-nitro-2H-[1]-Benzopyran-2-ones and their Antimicrobial Activity

    Directory of Open Access Journals (Sweden)

    Ramiz Hoti

    2014-10-01

    Full Text Available Novel substituted benzopyran-2-one derivatives were synthesized by catalytic condensation reactions under reflux conditions. 4-(1,2,4-Triazolyl-3-amino-3-nitro-2H-[1]-benzopyran-2-ones 4(a-b were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2 and corresponding 3-aminotriazoles 3(a-b. 4-(4’-methoxy-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyran-2-one (4c, 4-(6’-nitro-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyiran-2-one (4d and 4-(6’-fluoro-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyran-2-one (4e were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2 and corresponding 2-aminobenzothiazole 3(c-e under reflux reaction conditions. Further, alkali hydrolysis of 4(a-e afforded the 2-hydroxy-ω-nitroacetophenone (5. Antimicrobial activity of products 4(a-e against S. aurous, E. coli and Klebsiella were investigated measuring of inhibition zones around the discs which are marked with DMF, concentration 2 mg/mL, 4 mg/mL and 6 mg/mL solutions. Compounds 4c, 4e and 4d were more active against S. aureus. Emphatic activity against E. coli exhibited compounds 4b and 4e, whereas 4c and 4d were more active against Klebsiella.

  20. Low-temperature solid-state preparation of ternary CdS/g-C3N4/CuS nanocomposites for enhanced visible-light photocatalytic H2-production activity

    Science.gov (United States)

    Cheng, Feiyue; Yin, Hui; Xiang, Quanjun

    2017-01-01

    Low-temperature solid-state method were gradually demonstrated as a high efficiency, energy saving and environmental protection strategy to fabricate composite semiconductor materials. CdS-based multiple composite photocatalytic materials have attracted increasing concern owning to the heterostructure constituents with tunable band gaps. In this study, the ternary CdS/g-C3N4/CuS composite photocatalysts were prepared by a facile and novel low-temperature solid-state strategy. The optimal ternary CdS/g-C3N4/CuS composite exhibits a high visible-light photocatalytic H2-production rate of 57.56 μmol h-1 with the corresponding apparent quantum efficiency reaches 16.5% at 420 nm with Na2S/Na2SO3 mixed aqueous solution as sacrificial agent. The ternary CdS/g-C3N4/CuS composites show the enhanced visible-light photocatalytic H2-evolution activity comparing with the binary CdS-based composites or simplex CdS. The enhanced photocatalytic activity is ascribed to the heterojunctions and the synergistic effect of CuS and g-C3N4 in promotion of the charge separation and charge mobility. This work shows that the low-temperature solid-state method is efficient and environmentally benign for the preparation of CdS-based multiple composite photocatalytic materials with enhanced visible-light photocatalytic H2-production activity.

  1. Vapor-Liquid Equilibrium in the Mixture 1,1-Difluoroethane C2H4F2 + C4H8 2-Methylpropene (EVLM1131, LB5730_E)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Vapor-Liquid Equilibrium in the Mixture 1,1-Difluoroethane C2H4F2 + C4H8 2-Methylpropene (EVLM1131, LB5730_E)' providing data from direct measurement of pressure and mole fraction in vapor phase at variable mole fraction in liquid phase and constant temperature.

  2. Photoelectron Diffraction Imaging for C2H2 and C2H4 Chemisorbed on Si(100) Reveals a New Bonding Configuration

    International Nuclear Information System (INIS)

    Xu, S. H.; Keeffe, M.; Yang, Y.; Chen, C.; Yu, M.; Lapeyre, G. J.; Rotenberg, E.; Denlinger, J.; Yates, J. T. Jr.

    2000-01-01

    A new adsorption site for adsorbed acetylene on Si(100) is observed by photoelectron imaging based on the holographic principle. The diffraction effects in the carbon 1s angle-resolved photoemission are inverted (including the small-cone method) to obtain an image of the atom's neighboring carbon. The chemisorbed acetylene molecule is bonded to four silicon surface atoms. In contrast to the C 2 H 2 case, the image for adsorbed C 2 H 4 shows it bonded to two Si surface atoms. (c) 2000 The American Physical Society

  3. New homo- and heteroleptic derivatives of trivalent ytterbium containing anion-radical 1,4-diazadiene ligands. Synthesis, properties and crystal structure of (C9H7)2Yb[2-MeC6H4NC(Me)C(Me)NC6H4Me-2] and [PhNC(Ph)C(Ph)NPh]3Yb complexes

    International Nuclear Information System (INIS)

    Gudilenkov, I.D.; Fukin, G.K.; Cherkasov, A.V.; Shavyrin, A.S.; Trifonov, A.A.; Larionova, Yu.E.

    2008-01-01

    Reaction of ytterbium bisindenyl complex (C 9 H 7 ) 2 Yb II (THF) 2 (1) with 1,4-diazabutadiene 2-MeC 6 H 4 N=C(Me)-C(Me)=NC 6 H 4 Me-2 ( Me DAD) is accompanied by the oxidation of metal atom until trivalent state and results in the formation of paramagnetic compound of metallocenes type (C 9 H 7 ) 2 Yb III ( Me DAD -. ) (3) containing 1,4-diazabutadiene anion-radical. Structure of complex 3 is ascertained by the X-ray structure analysis. Reactions of bisindenyl (1) and bisfluorenyl (C 13 H 9 ) 2 Yb II (THF) 2 (2) derivatives of bivalent ytterbium with 1,4-diazabutadiene PhN=C(Ph)-C(Ph)=NPh ( Ph DAD) (at 1:2 molar ratio of reagents) proceed with the complete break of Yb-C bonds, oxidation of ytterbium atom until trivalent state, and result in the formation of homoligand complex ( Ph DAD -. ) 3 Yb (6) containing three anion-radical 1,4-diazadiene ligands. Complex 6 was also prepared by the exchange reaction of YbCl 3 with Ph DAD -. K + (1:3) in THF. Complex 6 is characterized by the X-ray structure analysis [ru

  4. Combined addition of nano diamond and nano SiO2, an effective method to improve the in-field critical current density of MgB2 superconductor

    International Nuclear Information System (INIS)

    Rahul, S.; Varghese, Neson; Vinod, K.; Devadas, K.M.; Thomas, Syju; Anees, P.; Chattopadhyay, M.K.; Roy, S.B.; Syamaprasad, U.

    2011-01-01

    Highlights: → Both nano diamond and nano SiO 2 caused significant modifications in the structural properties of pure MgB 2 sample. → Reduction in T C for the best codoped sample was approximately 2 K. → The best codoped sample yielded a J C , an order of magnitude more than the undoped one at 5 K and 8 T. → The enhanced flux pinning capability provided by the additives is responsible for the improved in-field J C . -- Abstract: MgB 2 bulk samples added with nano SiO 2 and/or nano diamond were prepared by powder-in-sealed-tube (PIST) method and the effects of addition on structural and superconducting properties were studied. X-ray diffraction (XRD) analysis revealed that the addition caused systematic reduction in 'a' lattice parameter due to the substitution of C atoms at B sites and the strain caused by reacted intragrain nano particles of Mg 2 Si as evinced by transmission electron microscope image. Scanning electron microscopy images showed distinct microstructural variations with SiO 2 /diamond addition. It was evident from DC magnetization measurements that the in-field critical current density [J C (H)] of doped samples did not fall drastically like the undoped sample. Among the doped samples the J C (H) of co-doped samples were significantly higher and the best co-doped sample yielded a J C , an order of magnitude more than the undoped one at 5 K and 8 T.

  5. The MgSeO4-UO2SeO4-H2O system at 25 deg C

    International Nuclear Information System (INIS)

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

    1984-01-01

    The method of isothermal solubility at 25 deg C has been used to study MgSeO 4 -UO 2 SeO 4 -H 2 O system. Formation of the new compound Mg 2 (UO 2 ) 3 (SeO 4 ) 5 X32H 2 O, congruently soluble in water is stated. Thermographic and X-ray diffraction investigations of the prepared magnesium selenato-uranylate and products of its dehydration are conducted

  6. Synthesis and crystal structure of new uranyl selenite(IV)-selenate(VI) [C5H14N][(UO2)3(SeO4)4(HSeO3)(H2O)](H2SeO3)(HSeO4)

    International Nuclear Information System (INIS)

    Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.; Kalenberg, V.

    2006-01-01

    Crystals of new uranyl selenite(IV)-selenate(VI) [C 5 H 14 N][(UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)](H 2 SeO 3 )(HSeO 4 ) are obtained by the method of evaporation from aqueous solutions. Compound has triclinic lattice, space group P1-bar, a=11.7068(9), b=14.8165(12), c=16.9766(15), α=73.899(6), β=76.221(7), γ=89.361(6) Deg, V=2743.0(4) A 3 , Z=2. Laminated complexes (UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)] 3- are the basis of the structure. [HSe(VI)O 4 ] - , [H 2 Se(IV)O 3 ] complexes and protonated methylbutylamine cations are disposed between layers [ru

  7. Beta radiation induced luminescence of polycrystalline Cu-doped Li{sub 2}B{sub 4}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Cruz-Zaragoza, E., E-mail: ecruz@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, A.P. 70543, México D.F. 04510, México (Mexico); Furetta, C. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, A.P. 70543, México D.F. 04510, México (Mexico); Marcazzó, J.; Santiago, M. [Instituto de Física Arroyo Seco (UNCPBA) and CIFICEN (UNCPBA – CICPBA – CONICET), Pinto 399, 7000 Tandil (Argentina); Guarneros, C. [Centro de Investigación en Ciencia y Tecnología Avanzada- IPN, Carretera Puerto Industrial Altamira Km 14.5, 896000 Altamira, Tamaulipas, México (Mexico); Consejo Nacional de Ciencia y Tecnología, Av. Insurgentes Sur 1582, 03940 México D.F., México (Mexico); Pacio, M. [Centro de Investigación en Dispositivos Semiconductores, Instituto de Ciencias Universidad Autónoma de Puebla, Av. 14 Sur, 72570 Puebla, México (Mexico); Palomino, R. [Facultad de Ciencias Físico-Matemáticas, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, México (Mexico)

    2016-11-15

    Thermoluminescence (TL) and radioluminescence (RL) properties of polycrystalline lithium tetraborate (Li{sub 2}B{sub 4}O{sub 7}) doped with different concentrations of copper (0.25, 0.5, 1 wt %) under beta irradiation have been investigated. The feasibility of using this borate in radiation dosimetry at low doses has been evaluated. Tissue equivalent Li{sub 2}B{sub 4}O{sub 7} was prepared by solid state reaction using mixing stoichiometric compositions of lithium carbonate (Li{sub 2}CO{sub 3}) and boric acid (H{sub 3}BO{sub 3}) and a solution of CuCl{sub 2} as dopant. The glow curve of the most efficient copper doped borate (Li{sub 2}B{sub 4}O{sub 7}:Cu 0.5 wt %) shows a main stable peak centered at 225 °C and a second low temperature peak centered at 80 °C. The low temperature peak fades completely after 24 h of storage in darkness and at room temperature or after an annealing at 120 °C for 10 s. The main peak of the Li{sub 2}B{sub 4}O{sub 7}:Cu remains constant. The TL response of Li{sub 2}B{sub 4}O{sub 7}:Cu shows good linearity in the analyzed dose range. The stability and repeatability of RL signals of the borate have been studied and the Li{sub 2}B{sub 4}O{sub 7}:Cu (0.5 wt %) shows the higher RL emission and a stable and repetitive response. Results show that polycrystalline Li{sub 2}B{sub 4}O{sub 7}:Cu has prospects to be used in beta radiation dosimetry. - Highlights: • Polycrystalline Cu-doped lithium tetraborate (LTB) was obtained by high temperature solid state reaction. • Beta-irradiated LTB:Cu (0.5 wt %) showed to have the highest TL and RL response. • A very good TL linearity in the dose range from 0.01 up to 100 Gy was obtained. • No fading is observed when an annealing at 120 °C for 10 s is carried out. • Results show that LTB:Cu has good prospects to be used in beta radiation dosimetry.

  8. MgB2 thin films by hybrid physical-chemical vapor deposition

    International Nuclear Information System (INIS)

    Xi, X.X.; Pogrebnyakov, A.V.; Xu, S.Y.; Chen, K.; Cui, Y.; Maertz, E.C.; Zhuang, C.G.; Li, Qi; Lamborn, D.R.; Redwing, J.M.; Liu, Z.K.; Soukiassian, A.; Schlom, D.G.; Weng, X.J.; Dickey, E.C.; Chen, Y.B.; Tian, W.; Pan, X.Q.; Cybart, S.A.; Dynes, R.C.

    2007-01-01

    Hybrid physical-chemical vapor deposition (HPCVD) has been the most effective technique for depositing MgB 2 thin films. It generates high magnesium vapor pressures and provides a clean environment for the growth of high purity MgB 2 films. The epitaxial pure MgB 2 films grown by HPCVD show higher-than-bulk T c due to tensile strain in the films. The HPCVD films are the cleanest MgB 2 materials reported, allowing basic research, such as on magnetoresistance, that reveals the two-band nature of MgB 2 . The carbon-alloyed HPCVD films demonstrate record-high H c2 values promising for high magnetic field applications. The HPCVD films and multilayers have enabled the fabrication of high quality MgB 2 Josephson junctions

  9. Sorption properties and reversibility of Ti(IV) and Nb(V)-fluoride doped-Ca(BH4)2-MgH2 system

    International Nuclear Information System (INIS)

    Bonatto Minella, Christian; Garroni, Sebastiano; Pistidda, Claudio; Baró, Maria Dolors; Gutfleisch, Oliver; Klassen, Thomas; Dornheim, Martin

    2015-01-01

    Highlights: • Faster desorption reaction for doped materials vs. the pure composite system. • Kinetic improvement concerning re-hydrogenation reaction showed by the addition of NbF 5 . • Full characterization of the de-hydrogenation reaction pathway by means of both SR-PXD and 11 B{ 1 H} MAS-NMR. • Study of the evolution of the chemical state of the additives upon both milling and sorption reactions. - Abstract: In the last decade, alkaline and alkaline earth metal tetrahydroborates have been the focuses of the research due to their high gravimetric and volumetric hydrogen densities. Among them, Ca(BH 4 ) 2 and the Ca(BH 4 ) 2 + MgH 2 reactive hydride composites (RHC), were calculated to have the ideal thermodynamic properties which fall within the optimal range for mobile applications. In this study, the addition of NbF 5 or TiF 4 to the Ca(BH 4 ) 2 + MgH 2 reactive hydride composite system was attempted aiming to obtain a full reversible system with the simultaneous suppression of CaB 12 H 12 . Structural characterization of the specimens was performed by means of in-situ Synchrotron Radiation Powder X-ray diffraction (SR-PXD) and 11 B{ 1 H} Solid State Magic Angle Spinning-Nuclear Magnetic Resonance (MAS-NMR). The evolution of the chemical state of the Nb- and Ti-based additives was monitored by X-ray Absorption Near Edge Structure (XANES). The addition of NbF 5 or TiF 4 to the Ca(BH 4 ) 2 + MgH 2 system have not suppressed completely the formation of CaB 12 H 12 and only a slight improvement concerning the reversible reaction was displayed just in the case of Nb-doped composite material

  10. 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

  11. Characterization of a n+3C/n−4H SiC heterojunction diode

    Energy Technology Data Exchange (ETDEWEB)

    Minamisawa, R. A.; Mihaila, A. [Department of Power Electronics, ABB Corporate Research Center, CH-5405 Baden-Dättwil (Switzerland); Farkas, I.; Hsu, C.-W.; Janzén, E. [Semiconductor Materials, IFM, Linköping University, SE-58183 Linköping (Sweden); Teodorescu, V. S. [National Institute of Material Physics, R-077125 Bucharest-Măgurele (Romania); Afanas' ev, V. V. [Semiconductor Physics Laboratory, KU Leuven, 3001 Leuven (Belgium); Rahimo, M. [ABB Semiconductors, Fabrikstrasse 3, CH-5600 Lenzburg (Switzerland)

    2016-04-04

    We report on the fabrication of n + 3C/n-4H SiC heterojunction diodes (HJDs) potentially promising the ultimate thermal stability of the junction. The diodes were systematically analyzed by TEM, X-ray diffraction, AFM, and secondary ion mass spectroscopy, indicating the formation of epitaxial 3C-SiC crystal on top of 4H-SiC substrate with continuous interface, low surface roughness, and up to ∼7 × 10{sup 17 }cm{sup −3} dopant impurity concentration. The conduction band off-set is about 1 V as extracted from CV measurements, while the valence bands of both SiC polytypes are aligned. The HJDs feature opening voltage of 1.65 V, consistent with the barrier height of about 1.5 eV extracted from CV measurement. We finally compare the electrical results of the n + 3C/n-4H SiC heterojunction diodes with those featuring Si and Ge doped anodes in order to evaluate current challenges involved in the fabrication of such devices.

  12. 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

  13. Aspects of transmetallation reactions of 2-Me2NCH2C6H4- and 2,6-(Me2NCH2)-C6H3-metal (Pd,Pt,Hg,Tl) complexes with metal carboxylates and low-valent metal (Pd,Pt) complexes

    NARCIS (Netherlands)

    Koten, G. van; Ploeg, A.F.M.J. van der; Vrieze, K.

    1981-01-01

    A study has been made of reactions involving organometallic compounds containing ortho-Me{2}NCH{2} substituted aryl ligands. The single step syntheses of the new compounds [(2-Me{2}NCH{2}C{6}H{4}){2}TlCl], [ [{(S)-2-Me{2}NCH(Me)C{6}H{4}}{2}TlCl], [{(S)-2-Me{2}NCH(Me)C{6}H{4}}TlCl{2}], [{2,

  14. Complexing in (NH4)2SeO4-UO2SeO4 H2O system

    International Nuclear Information System (INIS)

    Serezhkina, L.B.

    1994-01-01

    Isotherm of solubility in the (NH 4 ) 2 SeO 4 -UO 2 SeO 4 -H 2 O system has been constructed at 25 deg C. (NH 4 ) 2 (UO 2 ) 2 (SeO 4 ) 3 x6H 2 O formation is established for the first time and certain its physicochemical properties are determined. Regularities of complexing in the R 2 Se) 4 -UO 2 SeO 4 -H 2 O systems, where R-univalent cation are under discussion. 6 refs.; 3 tabs

  15. Inorganic-organic hybrid structure: Synthesis, structure and magnetic properties of a cobalt phosphite-oxalate, [C4N2H12][Co4(HPO3)2(C2O4)3

    International Nuclear Information System (INIS)

    Mandal, Sukhendu; Natarajan, Srinivasan

    2005-01-01

    A hydrothermal reaction of a mixture of cobalt (II) oxalate, phosphorous acid, piperazine and water at 150 o C for 96h followed by heating at 180 o C for 24h gave rise to a new inorganic-organic hybrid solid, [C 4 N 2 H 12 ][Co 4 (HPO 3 ) 2 (C 2 O 4 ) 3 ], I. The structure consists of edge-shared CoO 6 octahedra forming a [Co 2 O 10 ] dimers that are connected by HPO 3 and C 2 O 4 units forming a three-dimensional structure with one-dimensional channels. The amine molecules are positioned within these channels. The oxalate units have a dual role of connecting within the plane of the layer as well as out of the plane. Magnetic susceptibility measurement shows the compound orders antiferromagnetically at low temperature (T N =22K). Crystal data: I, monoclinic, space group=P2 1 /c (No. 14). a=7.614(15), b=7.514(14), c=17.750(3)A, β=97.351(3) o , V=1007.30(3)A 3 , Z=2, ρ calc =2.466g/cm 3 , μ (MoKα) =3.496mm -1 , R 1 =0.0310 and wR 2 =0.0807 data [I>2σ(I)

  16. Surface and catalytic properties of MoO3/Al2O3 system doped with Co3O4

    International Nuclear Information System (INIS)

    Zahran, A.A.; Shaheen, W.M.; El-Shobaky, G.A.

    2005-01-01

    Thermal solid-solid interactions in cobalt treated MoO 3 /Al 2 O 3 system were investigated using X-ray powder diffraction. The solids were prepared by wet impregnation method using Al(OH) 3 , ammonium molybdate and cobalt nitrate solutions, drying at 100 deg. C then calcination at 300, 500, 750 and 1000 deg. C. The amount of MoO 3 , was fixed at 16.67 mol% and those of cobalt oxide were varied between 2.04 and 14.29 mol% Co 3 O 4 . Surface and catalytic properties of various solid samples precalcined at 300 and 500 deg. C were studied using nitrogen adsorption at -196 deg. C, conversion of isopropanol at 200-500 deg. C and decomposition of H 2 O 2 at 30-50 deg. C. The results obtained revealed that pure mixed solids precalcined at 300 deg. C consisted of AlOOH and MoO 3 phases. Cobalt oxide-doped samples calcined at the same temperature consisted also of AlOOH, MoO 3 and CoMoO 4 compounds. The rise in calcination temperature to 500 deg. C resulted in complete conversion of AlOOH into very poorly crystalline γ-Al 2 O 3 . The further increase in precalcination temperature to 750 deg. C led to the formation of Al 2 (MoO 4 ) 3 , κ-Al 2 O 3 besides CoMoO 4 and un-reacted portion of Co 3 O 4 in the samples rich in cobalt oxide. Pure MoO 3 /Al 2 O 3 preheated at 1000 deg. C composed of MoO 3 -αAl 2 O 3 solid solution (acquired grey colour). The doped samples consisted of the same solid solution together with CoMoO 4 and CoAl 2 O 4 compounds. The increase in calcination temperature of pure and variously doped solids from 300 to 500 deg. C increased their specific surface areas and total pore volume which suffered a drastic decrease upon heating at 750 deg. C. Doping the investigated system with small amounts of cobalt oxide (2.04 and 4 mol%) followed by heating at 300 and 500 deg. C increased its catalytic activity in H 2 O 2 decomposition. This increase, measured at 300 deg. C, attained 25.4- and 12.9-fold for the solids precalcined at 300 and 500 deg. C, respectively

  17. Improving magnetic properties of MgB_2 bulk superconductors by synthetic engine oil treatment

    International Nuclear Information System (INIS)

    Taylan Koparan, E.; Savaskan, B.; Yanmaz, E.

    2016-01-01

    Highlights: • The effects of synthetic engine oil treatment on magnetic properties of bulk MgB_2 superconductors has been first time investigated and reported. • Synthetic engine oil used as a product which is cheap and a rich carbon source obviously has improved the superconducting magnetic properties of MgB_2. • The critical current density of all of MgB_2 samples immersed at different standby time in engine oil in whole field range has been better than that of the pure MgB_2 sample. • The MgB_2 sample immersed at 300 min standby time in synthetic engine oil has the best performance compared to other samples. - Abstract: The present study focuses on the effects of standby time of the MgB_2 samples immersed in synthetic engine oil on the critical current density ( J_c(H)), magnetic field dependence of the pinning force density f_p(b) and T_c performances of MgB_2 bulk superconductors. Synthetic engine oil was used as a product which is cheap and a rich carbon source. Manufactured MgB_2 pellet samples were immersed at different standby time of 30 min, 120 min, 300 min and 1440 min in synthetic engine oil after the first heating process. Finally, MgB_2 samples immersed in synthetic engine oil were sintered at 1000 °C and kept for 15 min in Ar atmosphere. The critical current density of all of MgB_2 samples immersed at different standby time in engine oil in whole field range was better than that of the pure MgB_2 sample because of the number of the pinning centers. The MgB_2 sample immersed at 300 min standby time in synthetic engine oil has the best performance compared to other samples. The J_c value for the pure sample is 2.0 × 10"3 A/cm"2, whereas for the MgB_2 sample immersed at 300 min standby time in engine oil the J_c is enhanced to 4.8 × 10"3 A/cm"2 at 5 K and 3 T. The superconducting transition temperature (T_c) did not change with the increasing standby time of the samples in synthetic engine oil at all. The best diamagnetic property was

  18. Synthesis and electrochemical performance of Sn-doped Li3V2(PO4)3/C cathode material for lithium ion battery by microwave solid-state technique

    International Nuclear Information System (INIS)

    Liu, Haiping; Bi, Sifu; Wen, Guangwu; Teng, Xiangguo; Gao, Peng; Ni, Zujun; Zhu, Yongming; Zhang, Fang

    2012-01-01

    Highlights: ► Li 3 V 2−x Sn x (PO 4 ) 3 /C (0 ⩽ x ⩽ 0.10) cathode is first reported. ► Sn doping improves the initial discharge capacity and the cycle stability of Li 3 V 2 (PO 4 ) 3 /C. ► Sn doping improves the conductivity and reversibility of the Li 3 V 2 (PO 4 ) 3 /C. - Abstract: Li 3 V 2−x Sn x (PO 4 ) 3 /C cathode materials with uniform and fine particle sizes were successfully and fast synthesized by a microwave solid-state synthesis method. X-ray diffraction patterns demonstrated that the appropriate addition of Sn did not destroy the lattice structure of Li 3 V 2 (PO 4 ) 3 /C, but decreased the unit cell volume. X-ray photoelectron spectroscopy analysis demonstrated that the main chemical state of V in the Li 3 V 1.95 Sn 0.05 (PO 4 ) 3 /C composite is +3 valence, while the chemical state of Sn in the Li 3 V 1.95 Sn 0.05 (PO 4 ) 3 /C is +4 valence. Scanning electron microscope analysis illustrated that the addition of Sn slightly affected the morphology of samples. As the cathode materials for Li-ion batteries, Li 3 V 2−x Sn x (PO 4 ) 3 /C (x ⩽ 0.10) exhibited higher discharge capacity and better cycle stability than the pure one. At a discharge rate of 0.5 C in the potential range of 2.5–4.5 V at room temperature, the initial discharge capacity of Li 3 V 1.95 Sn 0.05 (PO 4 ) 3 /C was 136 mA h/g. The low charge-transfer resistances and large lithium ion diffusion coefficients confirmed that Sn-doped Li 3 V 2 (PO 4 ) 3 /C samples possessed better electronic conductivity and lithium ion mobility. These improved electrochemical performances can be attributed to the appropriate amount of Sn doping in Li 3 V 2 (PO 4 ) 3 /C system by enhancing structural stability and electrical conductivity. The present study also demonstrates that the microwave processing is a fast, simple and useful method for the fabrication of Li 3 V 2 (PO 4 ) 3 /C crystals.

  19. Effect of MoS2 on hydrogenation storage properties of LiBH4

    International Nuclear Information System (INIS)

    Liang, Dan; Han, Shumin; Wang, Jiasheng; Zhang, Wei; Zhao, Xin; Zhao, Ziyang

    2014-01-01

    The hydrogen storage properties of LiBH 4 ball milled with 20 wt% MoS 2 have been investigated. It shows that the LiBH 4 doped with MoS 2 exhibits favorable hydrogenation and dehydrogenation properties in terms of decomposition temperature and hydriding/dehydriding reversibility. The sample with MoS 2 starts to release hydrogen at 230 °C and has a decrease of 80 °C in contrast with pristine LiBH 4 . Furthermore, for the second cycle, the LiBH 4 with MoS 2 maintains a reversible hydrogen storage capacity of about 8.0 wt% which is almost identical with the first cycle under 5 MPa at 550 °C. Analyzed by the XRD and the FTIR results, LiBH 4 can be regenerated after re-hydrogenation under a relatively mild condition by adding MoS 2 . The improvement of the hydrogenation and dehydrogenation properties mainly results from the formation of Li 2 S and MoB 2 during ball milling. -- Graphical abstract: Hydrogen absorption curves of LiBH 4 doped with MoS 2 for five cycles at 400 °C. Highlights: • The hydrogen absorption capacity is nearly the same for 5 cycles at 400 °C. • The sample with MoS 2 starts to release hydrogen at 230 °C. • The coexistence of MoB 2 and Li 2 S catalyzes the decomposition of LiBH 4

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

    International Nuclear Information System (INIS)

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

    1989-01-01

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

  1. NH4In(SeO4)2x4H2O crystal structure interpretation

    International Nuclear Information System (INIS)

    Soldatov, E.A.; Kuz'min, Eh.A.; Ilyukhin, V.V.

    1979-01-01

    The rhomb method has been applied to interpret the structure of monoclinic ammonium indium selenate NH 4 In(SeO 4 ) 2 x4H 2 O the elementary cell of which contains Z=4 formula units (a=10.728, b=9.434, c=11.086 A, γ=101.58). The space group is P2 1 /b. The structure foundation is composed of [In(SeO 4 ) 2 x2H 2 O] 1- mixed layers parallel to (100). ''Free'' H 2 O molecules and NH 4 + cations are situated between the layers

  2. Progress in electrical and mechanical properties of rectangular MgB2 wires

    International Nuclear Information System (INIS)

    Kovac, P; Melisek, T; Kopera, L; Husek, I; Polak, M; Kulich, M

    2009-01-01

    Critical current densities and mechanical resistance of MgB 2 wires made by the rectangular wire-in-tube technique (RWIT) have been studied. Wires prepared from different precursor powders and variable sheath materials are compared. The best electrical performance (10 4 A cm -2 at 11.3 T) was measured for the wire with mechanically alloyed powder doped by SiC. While the critical current densities, J c , at 4.2 K are considerably influenced by the powder used, the differences at 20 K are much smaller. Flattened wires show different levels of critical current anisotropy influenced by the precursor powder used. Stress-strain characteristics and critical current degradation are strongly affected by the applied metallic materials and also by the filament's strength. The highest irreversible strain ε irr = 0.55% was measured for Ti/Cu/Monel sheathed wire with filaments from mechanically alloyed powder.

  3. High transport current superconductivity in powder-in-tube Ba0.6K0.4Fe2As2 tapes at 27 T

    Science.gov (United States)

    Huang, He; Yao, Chao; Dong, Chiheng; Zhang, Xianping; Wang, Dongliang; Cheng, Zhe; Li, Jianqi; Awaji, Satoshi; Wen, Haihu; Ma, Yanwei

    2018-01-01

    The high upper critical field and low anisotropy of iron-based superconductors (IBS) make them particularly attractive for high-field applications, especially for the construction of next-generation nuclear magnetic resonance spectrometers, particle accelerators and high-field magnets. However, for practical use it is essential to make IBS materials into wire and tape conductors with sufficient current carrying capability, which is limited by misaligned grains inside the conductors. Here, based on a simple and low-cost powder-in-tube (PIT) method, we demonstrate a high transport critical current density (J c) reaching 1.5 × 105 A cm-2 (I c = 437 A) at 4.2 K and 10 T in Ba0.6K0.4Fe2As2 (Ba-122) tapes by texturing the grain orientation with optimized hot-press technique. The transport J c measured at 4.2 K under high magnetic fields of 27 T is still on the level of 5.5 × 104 A cm-2. Moreover, at 20 K and 5 T the transport J c is also as high as 5.4 × 104 A cm-2, showing a promising application potential in moderate temperature range which can be reached by liquid hydrogen or cryogenic cooling. All these J c values are the highest ever reported for IBS wires and tapes. The high-performance PIT Ba-122 tapes in this work suggest IBS to be a strong potential competitor of cuprate superconductors for the race of high-field applications in the future.

  4. Novel phenomenon of magnetism and superconductivity in Fe-doped superconductor Bi{sub 4-x}Fe{sub x}O{sub 4}S{sub 3} (0 ≤ x ≤ 0.1)

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qing [Shanghai University, Department of Physics, Shanghai (China); Shanghai University, Materials Genome Institute, Shanghai (China); Wang, Difei; Yu, Chuan; Yin, Xunqing; Kang, Jian; Cheng, Cheng; Deng, Dongmei; Jing, Chao [Shanghai University, Department of Physics, Shanghai (China); Feng, Zhenjie; Cao, Shixun; Zhang, Jincang [Shanghai University, Department of Physics, Shanghai (China); Shanghai University, Materials Genome Institute, Shanghai (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai (China); Chu, Hao [California Institute of Technology, Department of Applied Physics, Pasadena, CA (United States); Li, Xiaolong [Chinese Academy of Sciences, Shanghai Institute of Applied Physics, Shanghai (China)

    2017-06-15

    We report the effects of Fe doping on the BiS{sub 2}-based superconductor Bi{sub 4}O{sub 4}S{sub 3}. It has been found that the superconducting transition temperature (T{sub C}{sup onset}) is slightly enhanced by Fe doping. The magnetic susceptibility results reveal the coexistence of superconductivity and long-range ferrimagnetism in these samples. A new magnetic transition temperature T{sub V} (Verwey transition) from the M-T curves at ∝112 K is observed. The isothermal magnetization curves (M-H) indicate a weak ferrimagnetism, which is probably due to the antiparallel ordering of Fe{sup 2+} and Fe{sup 3+} magnetic moments. The coexistence of superconductivity and ferro/ferrimagnetism makes bismuth oxysulfide superconductor a platform for understanding superconductivity from a new perspective. (orig.)

  5. Design-dependent gauge factors of highly doped n-type 4H-SiC piezoresistors

    International Nuclear Information System (INIS)

    Akiyama, T; Briand, D; De Rooij, N F

    2012-01-01

    This paper presents the experimentally obtained gauge factor (GF) of 4H-SiC piezoresistors, fabricated out of the n-type epitaxial layer and characterized on millimeter-size SiC cantilever beams at room temperature. It was found that the GF is dependent on the piezoresistor's length and width. Piezoresistors narrower than approximately 30 µm showed a width-dependent GF. The highest GF of 20.8 was obtained with a single element piezoresistor in transverse orientation. In longitudinal orientation, the highest GF was −10, which was obtained with a clustered piezoresistor with plural identical elements. Essential factors to consider for the design of optimum 4H-SiC piezoresistors for a Wheatstone bridge configuration are presented. (paper)

  6. Hydrogenation and Deuteration of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} on Cold Grains: A Clue to the Formation Mechanism of C{sub 2}H{sub 6} with Astronomical Interest

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Hitomi; Kawakita, Hideyo [Koyama Astronomical Observatory, Kyoto Sangyo University Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Hidaka, Hiroshi; Hama, Tetsuya; Watanabe, Naoki [Institute of Low Temperature Science, Hokkaido University N19-W8, Kita-ku, Sapporo, Hokkaido 060-0819 (Japan); Lamberts, Thanja; Kästner, Johannes, E-mail: h_kobayashi@kyoto-nijikoubou.com [Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart (Germany)

    2017-03-10

    We quantitatively investigated the hydrogen addition reactions of acetylene (C{sub 2}H{sub 2}) and ethylene (C{sub 2}H{sub 4}) on amorphous solid water (ASW) at 10 and 20 K relevant to the formation of ethane (C{sub 2}H{sub 6}) on interstellar icy grains. We found that the ASW surface enhances the reaction rates for C{sub 2}H{sub 2} and C{sub 2}H{sub 4} by approximately a factor of 2 compared to those on the pure-solid C{sub 2}H{sub 2} and C{sub 2}H{sub 4} at 10 K, probably due to an increase in the sticking coefficient and adsorption energy of the H atoms on ASW. In contrast to the previous proposal that the hydrogenation rate of C{sub 2}H{sub 4} is orders of magnitude larger than that of C{sub 2}H{sub 2}, the present results show that the difference in hydrogenation rates of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} is only within a factor of 3 on both the surfaces of pure solids and ASW. In addition, we found the small kinetic isotope effect for hydrogenation/deuteration of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} at 10 K, despite the requirement of quantum tunneling. At 20 K, the reaction rate of deuteration becomes even larger than that of hydrogenation. These unusual isotope effects might originate from a slightly larger number density of D atoms than H atoms on ASW at 20 K. The hydrogenation of C{sub 2}H{sub 2} is four times faster than CO hydrogenation and can produce C{sub 2}H{sub 6} efficiently through C{sub 2}H{sub 4} even in the environment of a dark molecular cloud.

  7. Activation of sp3-CH Bonds in a Mono(pentamethylcyclopentadienyl)yttrium Complex. X-ray Crystal Structures and Dynamic Behavior of Cp*Y(o-C6H4CH2NMe2)2 and Cp*Y[o-C6H4CH2NMe(CH2-μ)][μ-o-C6H4CH2NMe(CH2-μ)]YCp*[THF

    NARCIS (Netherlands)

    Booij, Martin; Kiers, Niklaas H.; Meetsma, Auke; Teuben, Jan H.; Smeets, Wilberth J.J.; Spek, Anthony L.

    1989-01-01

    Reaction of Y(o-C6H4CH2NMe2)3 (1) with Cp*H gives Cp*Y(o-C6H4CH2NMe2)2 (2), which crystallizes in the monoclinic space group P21/n (No. 14) with a = 18.607 (4) Å, b = 15.633 (3) Å, c = 8.861 (3) Å, β = 102.73 (3)°, and Z = 4. Least-squares refinement with 3006 independent reflections (F > 4.0σ(F))

  8. A new metal-organic framework for separation of C2H2/CH4 and CO2/CH4 at room temperature

    Science.gov (United States)

    Duan, Xing; Zhou, You; Lv, Ran; Yu, Ben; Chen, Haodong; Ji, Zhenguo; Cui, Yuanjing; Yang, Yu; Qian, Guodong

    2018-04-01

    A 3D microporous metal-organic framework with open Cu2+ sites and suitable pore space, [Cu2(L)(H2O)2]·(H2O)4(DMF)8 (ZJU-15, H4L = 5,5‧-(9H-carbazole-2,7-diyl)diisophthalic acid; DMF = N,N-dimethylformamide; ZJU = Zhejiang University), has been constructed and characterized. The activated ZJU-15a has three different types of cages and exhibits BET surface area of 1660 m2 g-1, and can separate gas mixture of C2H2/CH4 and CO2/CH4 at room temperature.

  9. Smad4 mediated BMP2 signal is essential for the regulation of GATA4 and Nkx2.5 by affecting the histone H3 acetylation in H9c2 cells

    International Nuclear Information System (INIS)

    Si, Lina; Shi, Jin; Gao, Wenqun; Zheng, Min; Liu, Lingjuan; Zhu, Jing; Tian, Jie

    2014-01-01

    Highlights: • BMP2 can upregulated cardiac related gene GATA4, Nkx2.5, MEF2c and Tbx5. • Inhibition of Smad4 decreased BMP2-induced hyperacetylation of histone H3. • Inhibition of Smad4 diminished BMP2-induced overexpression of GATA4 and Nkx2.5. • Inhibition of Smad4 decreased hyperacetylated H3 in the promoter of GATA4 and Nkx2.5. • Smad4 is essential for BMP2 induced hyperacetylated histone H3. - Abstract: BMP2 signaling pathway plays critical roles during heart development, Smad4 encodes the only common Smad protein in mammals, which is a pivotal nuclear mediator. Our previous studies showed that BMP2 enhanced the expression of cardiac transcription factors in part by increasing histone H3 acetylation. In the present study, we tested the hypothesis that Smad4 mediated BMP2 signaling pathway is essential for the expression of cardiac core transcription factors by affecting the histone H3 acetylation. We successfully constructed a lentivirus-mediated short hairpin RNA interference vector targeting Smad4 (Lv-Smad4) in rat H9c2 embryonic cardiac myocytes (H9c2 cells) and demonstrated that it suppressed the expression of the Smad4 gene. Cultured H9c2 cells were transfected with recombinant adenoviruses expressing human BMP2 (AdBMP2) with or without Lv-Smad4. Quantitative real-time RT-PCR analysis showed that knocking down of Smad4 substantially inhibited both AdBMP2-induced and basal expression levels of cardiac transcription factors GATA4 and Nkx2.5, but not MEF2c and Tbx5. Similarly, chromatin immunoprecipitation (ChIP) analysis showed that knocking down of Smad4 inhibited both AdBMP2-induced and basal histone H3 acetylation levels in the promoter regions of GATA4 and Nkx2.5, but not of Tbx5 and MEF2c. In addition, Lv-Smad4 selectively suppressed AdBMP2-induced expression of HAT p300, but not of HAT GCN5 in H9c2 cells. The data indicated that inhibition of Smad4 diminished both AdBMP2 induced and basal histone acetylation levels in the promoter regions of

  10. Smad4 mediated BMP2 signal is essential for the regulation of GATA4 and Nkx2.5 by affecting the histone H3 acetylation in H9c2 cells

    Energy Technology Data Exchange (ETDEWEB)

    Si, Lina; Shi, Jin; Gao, Wenqun [Heart Centre, Children’s Hospital of Chongqing Medical University, 136 Zhongshan 2nd Road, Yu Zhong District, Chongqing 400014 (China); Ministry of Education Key Laboratory of Child Development and Disorders, Key Laboratory of Pediatrics in Chongqing, Chongqing International Science and Technology Cooperation Center for Child Development and Disorders, 136 Zhongshan 2nd Road, Yu Zhong District, Chongqing 400014 (China); Zheng, Min [Heart Centre, Children’s Hospital of Chongqing Medical University, 136 Zhongshan 2nd Road, Yu Zhong District, Chongqing 400014 (China); Liu, Lingjuan; Zhu, Jing [Ministry of Education Key Laboratory of Child Development and Disorders, Key Laboratory of Pediatrics in Chongqing, Chongqing International Science and Technology Cooperation Center for Child Development and Disorders, 136 Zhongshan 2nd Road, Yu Zhong District, Chongqing 400014 (China); Tian, Jie, E-mail: jietian@cqmu.edu.cn [Heart Centre, Children’s Hospital of Chongqing Medical University, 136 Zhongshan 2nd Road, Yu Zhong District, Chongqing 400014 (China)

    2014-07-18

    Highlights: • BMP2 can upregulated cardiac related gene GATA4, Nkx2.5, MEF2c and Tbx5. • Inhibition of Smad4 decreased BMP2-induced hyperacetylation of histone H3. • Inhibition of Smad4 diminished BMP2-induced overexpression of GATA4 and Nkx2.5. • Inhibition of Smad4 decreased hyperacetylated H3 in the promoter of GATA4 and Nkx2.5. • Smad4 is essential for BMP2 induced hyperacetylated histone H3. - Abstract: BMP2 signaling pathway plays critical roles during heart development, Smad4 encodes the only common Smad protein in mammals, which is a pivotal nuclear mediator. Our previous studies showed that BMP2 enhanced the expression of cardiac transcription factors in part by increasing histone H3 acetylation. In the present study, we tested the hypothesis that Smad4 mediated BMP2 signaling pathway is essential for the expression of cardiac core transcription factors by affecting the histone H3 acetylation. We successfully constructed a lentivirus-mediated short hairpin RNA interference vector targeting Smad4 (Lv-Smad4) in rat H9c2 embryonic cardiac myocytes (H9c2 cells) and demonstrated that it suppressed the expression of the Smad4 gene. Cultured H9c2 cells were transfected with recombinant adenoviruses expressing human BMP2 (AdBMP2) with or without Lv-Smad4. Quantitative real-time RT-PCR analysis showed that knocking down of Smad4 substantially inhibited both AdBMP2-induced and basal expression levels of cardiac transcription factors GATA4 and Nkx2.5, but not MEF2c and Tbx5. Similarly, chromatin immunoprecipitation (ChIP) analysis showed that knocking down of Smad4 inhibited both AdBMP2-induced and basal histone H3 acetylation levels in the promoter regions of GATA4 and Nkx2.5, but not of Tbx5 and MEF2c. In addition, Lv-Smad4 selectively suppressed AdBMP2-induced expression of HAT p300, but not of HAT GCN5 in H9c2 cells. The data indicated that inhibition of Smad4 diminished both AdBMP2 induced and basal histone acetylation levels in the promoter regions of

  11. Ethyl 2-amino-4-(4-bromophenyl-6-methoxy-4H-benzo[h]chromene-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Seik Weng Ng

    2013-03-01

    Full Text Available In the title compound, C23H20BrNO4, the pyran ring has a flattened boat conformation with the O and methine C atoms lying to one side of the plane [0.160 (5 and 0.256 (6 Å, respectively] defined by the remaining atoms. Nevertheless, the 4H-benzo[h]chromene ring system approximates a plane (r.m.s. deviation = 0.116 Å with the bromobenzene ring almost perpendicular [dihedral angle = 83.27 (16°] and the ester group coplanar [C—C—C—O = 3.4 (5°]; the methoxy substituent is also coplanar [C—O—C—C = 174.5 (3°]. In addition to an intramolecular N—H...O(ester carbonyl hydrogen bond, the ester carbonyl O atom also forms an intermolecular N—H...O hydrogen bond with the second amine H atom, generating a zigzag supramolecular chain along the c axis in the crystal packing. The chains are linked into layers in the bc plane by N—H...Br hydrogen bonds, and these layers are consolidated into a three-dimensional architecture by C—H...π interactions.

  12. Kinetics of the reactions H+C2H4->C2H5, H+C2H5->2CH3 and CH3+C2H5->products studies by pulse radiolysis combined with infrared diode laser spectroscopy

    DEFF Research Database (Denmark)

    Sillesen, A.; Ratajczak, E.; Pagsberg, P.

    1993-01-01

    Formation of methyl radicals via the consecutive reactions H+C2H4+M-->C2H5+M (1) and H+C2H5-->CH3+CH3 (2a) was initiated by pulse radiolysis of 10-100 mbar H-2 in the presence of ethylene. The kinetics of CH3 Were studied by monitoring the transient infrared absorption at the Q(3, 3) line of the ...

  13. Low-temperature solid-state preparation of ternary CdS/g-C{sub 3}N{sub 4}/CuS nanocomposites for enhanced visible-light photocatalytic H{sub 2}-production activity

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Feiyue; Yin, Hui; Xiang, Quanjun, E-mail: xiangqj@mail.hzau.edu.cn

    2017-01-01

    Highlights: • CdS/g-C{sub 3}N{sub 4}/CuS composite were synthesized by low-temperature solid-state method. • CdS/g-C{sub 3}N{sub 4}/CuS show enhanced visible-light photocatalytic H{sub 2} evolution activity. • The enhanced photocatalytic H{sub 2} production activity is due to the heterojunction. • Heterojunction between the components promote charge separation/transfer property. - Abstract: Low-temperature solid-state method were gradually demonstrated as a high efficiency, energy saving and environmental protection strategy to fabricate composite semiconductor materials. CdS-based multiple composite photocatalytic materials have attracted increasing concern owning to the heterostructure constituents with tunable band gaps. In this study, the ternary CdS/g-C{sub 3}N{sub 4}/CuS composite photocatalysts were prepared by a facile and novel low-temperature solid-state strategy. The optimal ternary CdS/g-C{sub 3}N{sub 4}/CuS composite exhibits a high visible-light photocatalytic H{sub 2}-production rate of 57.56 μmol h{sup −1} with the corresponding apparent quantum efficiency reaches 16.5% at 420 nm with Na{sub 2}S/Na{sub 2}SO{sub 3} mixed aqueous solution as sacrificial agent. The ternary CdS/g-C{sub 3}N{sub 4}/CuS composites show the enhanced visible-light photocatalytic H{sub 2}-evolution activity comparing with the binary CdS-based composites or simplex CdS. The enhanced photocatalytic activity is ascribed to the heterojunctions and the synergistic effect of CuS and g-C{sub 3}N{sub 4} in promotion of the charge separation and charge mobility. This work shows that the low-temperature solid-state method is efficient and environmentally benign for the preparation of CdS-based multiple composite photocatalytic materials with enhanced visible-light photocatalytic H{sub 2}-production activity.

  14. 1H and 2H NMR relaxation study on the phase transitions of (NH4)3H(SO4)2 and (ND4)3D(SO4)2 single crystals

    International Nuclear Information System (INIS)

    Lim, Ae Ran; Jeong, Se-Young

    2006-01-01

    T 1 , T 1ρ and T 2 for the 1 H and 2 H nuclei in (NH 4 ) 3 H(SO 4 ) 2 and (ND 4 ) 3 D(SO 4 ) 2 single crystals grown using the slow evaporation method were measured for phases I, II, III, IV and V. The 1 H T 1 , T 1ρ , and T 2 values were found to exhibit different trends in phases II and III: T 1 , T 1ρ and T 2 for 1 H do not change significantly near the phase transition at 265 K, whereas near 413 K they change discontinuously. We conclude that the NH 4 + and H(SO 4 ) 2 - ions do not play an important role in the III-II phase transition, but do play important roles in the II-I phase transition. The liquid-like nature of the 1 H T 1ρ and T 2 above 413 K is indicative of the destruction and reconstruction of hydrogen bonds. Moreover, the phase transitions of the (NH 4 ) 3 H(SO 4 ) 2 crystal are accompanied by changes in the molecular motion of the (NH 4 ) + ions. The variations with temperature of the 2 H T 1 and T 2 of (ND 4 ) 3 D(SO 4 ) 2 crystals are not similar to those observed for the 1 H T 1 and T 2 . Our comparison of the results for (NH 4 ) 3 H(SO 4 ) 2 and (ND 4 ) 3 D(SO 4 ) 2 crystals indicates the following: the 1 H T 1ρ and T 2 of the (NH 4 ) + and H(SO 4 ) 2 - ions above T C1 are characteristic of fast, liquid-like motion, which is not the case for (ND 4 ) 3 D(SO 4 ) 2 ; and the 2 H T 1 of D(SO 4 ) 2 - in (ND 4 ) 3 D(SO 4 ) 2 is longer than the 2 H T 1 of (ND 4 ) + in contrast to the results for (NH 4 ) 3 H(SO 4 ) 2 crystals

  15. Photoassisted oxygen reduction reaction on mpg-C3N4: The effects of elements doping on the performance of ORR

    Science.gov (United States)

    He, Qiuchen; Zhou, Feng; Zhan, Su; Huang, Naibao; Tian, Yu

    2018-02-01

    The oxygen reduction reaction (ORR) is a crux step in the fuel cells, which is limited to the catalysts. Low-cost nonmetal inorganic catalysts were considered to be the best prospect that may replace platinum. Graphitic carbon nitride (g-C3N4), which has wide prospect in photocatalysis, was found with the activity of ORR. In calculation work, we used the elements of the VIA family (O, S, and Se) to dope g-C3N4 and investigated the electronic properties and the ability of O2 adsorption in details based on the first principle. The result suggested that the performance of ORR of g-C3N4 may be enhanced by O doping, which can uplift the Fermi level of g-C3N4 and weaken the OH- absorption ability to enhance the O2 adsorption ability. After that, we synthetised O/g-C3N4 and S/g-C3N4 to test their ORR performance. According to the result, O doping can significantly enhance the performance of ORR of g-C3N4 which correspond with the calculation result. Then, the photo-assistant method was used to further enhance the ORR of g-C3N4 which was caused by the transition of the photo-induced electrons of g-C3N4 from VB to CB.

  16. Structural and electrochemical properties of Cl-doped LiFePO{sub 4}/C

    Energy Technology Data Exchange (ETDEWEB)

    Sun, C.S.; Zhang, Y.; Zhang, X.J.; Zhou, Z. [Institute of New Energy Material Chemistry, Nankai University, Tianjin 300071 (China)

    2010-06-01

    Cl-doped LiFePO{sub 4}/C cathode materials were synthesized through a carbothermal reduction route, and the microstructure and electrochemical performances were systematically studied. Cl-doped LiFePO{sub 4}/C cathode materials presented a high discharge capacity of {proportional_to}90 mAh g{sup -1} at the rate of 20 C (3400 mA g{sup -1}) at room temperature. Electrochemical impedance spectroscopy and cyclic voltamperometry indicated the optimized electrochemical reaction and Li{sup +} diffusion in the bulk of LiFePO{sub 4} due to Cl-doping. The improved Li{sup +} diffusion capability is attributed to the microstructure modification of LiFePO{sub 4} via Cl-doping. (author)

  17. Crystal structure of (E-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-ylmethyl]-2H-benzo[b][1,4]thiazin-3(4H-one

    Directory of Open Access Journals (Sweden)

    Nada Kheira Sebbar

    2015-06-01

    Full Text Available In the title compound, C25H20N2O2S, the dihydroisoxazole ring exhibits an envelope conformation with the methine atom being the flap, while the 1,4-thiazine ring displays a screw-boat conformation. The six-membered ring fused to the 1,4-thiazine ring makes dihedral angles of 63.04 (2 and 54.7 (2° with the mean planes through the five-membered heterocycle and the attached phenyl ring, respectively. The phenyl group connected to the 1,4-thiazine ring is disordered over two sites [major component = 0.57 (2]. The most prominent interactions in the crystal structure are C—H...O hydrogen bonds that link molecules, forming inversion dimers, and C—H...N hydrogen bonds that link the dimers into columns parallel to the b axis.

  18. A trapped field of >3 T in bulk MgB2 fabricated by uniaxial hot pressing

    International Nuclear Information System (INIS)

    Durrell, J H; Dennis, A; Shi, Y; Xu, Z; Campbell, A M; Babu, N Hari; Cardwell, D A; Dancer, C E J; Todd, R I; Grovenor, C R M

    2012-01-01

    A trapped field of over 3 T has been measured at 17.5 K in a magnetized stack of two disc-shaped bulk MgB 2 superconductors of diameter 25 mm and thickness 5.4 mm. The bulk MgB 2 samples were fabricated by uniaxial hot pressing, which is a readily scalable, industrial technique, to 91% of their maximum theoretical density. The macroscopic critical current density derived from the trapped field data using the Biot–Savart law is consistent with the measured local critical current density. From this we conclude that critical current density, and therefore trapped field performance, is limited by the flux pinning available in MgB 2 , rather than by lack of connectivity. This suggests strongly that both increasing sample size and enhancing pinning through doping will allow further increases in trapped field performance of bulk MgB 2 . (rapid communication)

  19. Dry cryomagnetic system with MgB2 coil

    Science.gov (United States)

    Abin, D. A.; Mineev, N. A.; Osipov, M. A.; Pokrovskii, S. V.; Rudnev, I. A.

    2017-12-01

    MgB2 may be the future superconducting wire material for industrial magnets due to it’s higher operation temperature and potentially lower cost than low temperature superconductors (LTS) have. We designed a compact cryomagnetic system with the use of MgB2. The possibility of creating a magnet with a central field of 5 T from a commercial MgB2 wire by the “react and wound” method was investigated. The magnetic system is cooled by a cryocooler through a copper bus. The magnet has a warm bore diameter of 4 cm. The design of a magnet consisting of three concentric solenoids is proposed: an internal one of high-temperature superconductor (HTS), an average of MgB2, and an external of NbTi. The operating current of the system is 100 A. Two pairs of current leads are used. A separate pair of current leads for power supplying NbTi coil allows testing of MgB2 and HTS coils in an external field. The load curves for each of the magnets are calculated.

  20. Heterocyclic Analogues of Xanthone and Xanthione. 1H-Pyrano[2,3-c:6,5-c]dipyrazol-4(7H-ones and Thiones: Synthesis and NMR Data

    Directory of Open Access Journals (Sweden)

    Wolfgang Holzer

    2010-09-01

    Full Text Available The synthesis of the title compounds is described. Reaction of 1-substituted 2-pyrazolin-5-ones with 5-chloro-1-phenyl-1H-pyrazole-4-carbonyl chloride or 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride, respectively, using calcium hydroxide in refluxing 1,4-dioxane gave the corresponding 4-heteroaroylpyrazol-5-ols, which were cyclized into 1H-pyrano[2,3-c:6,5-c]dipyrazol-4(7H-ones by treatment with K2CO3/DMF. The latter were converted into the corresponding thiones upon reaction with Lawesson’s reagent. Detailed NMR spectroscopic investigations (1H, 13C, 15N of the ring systems and their precursors are presented.

  1. Phase formation in the systems ZrO2-H2SO4-Na2SO4 (NaCl)-H2O

    International Nuclear Information System (INIS)

    Sozinova, Yu.P.; Motov, D.L.; Rys'kina, M.P.

    1988-01-01

    Formation of solid phases in the systems ZrO 2 - H 2 SO 4 - Na 2 SO 4 (NaCl) - H 2 O at 25 and 75 deg C is studied. Three basic Na 2 Zr(OH) 2 (SO 4 ) 2 x (0.2 - 0.4)H 2 O, NaZrOH(SO 4 ) 2 x H 2 O, NaZrO 0.5 (OH) 2 SO 4 x 2H 2 O and three normal sodium sulfatozirconates Na 2 Zr(SO 4 ) 3 x 3H 2 O, Na 4 Zr(SO 4 ) 4 x 3H 2 O, Na 6 Zr(SO 4 ) 5 x 4H 2 O have been isolated, their solubility and crystal optical properties are determined

  2. Preparation of V-Doped LiFePO4/C as the Optimized Cathode Material for Lithium Ion Batteries.

    Science.gov (United States)

    Sun, Pingping; Zhang, Haiyang; Shen, Kai; Fan, Qi; Xu, Qingyu

    2015-04-01

    LiFe1-x,Vx,PO4/C composites were synthesized by solid state reaction. The effect of carbon coating and V doping on the performance of LiFePO4 has been systematically investigated by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), charge/discharge and cyclic voltammetry (CV) measurement. The results show that carbon coating and proper amount of V incorporation do not significantly change the host crystal structure of LiFePO4, while the electrochemical performance of LiFePO4 can be significantly improved. Particularly, the LiFe0.96V0.04PO4/C exhibits the best performance with a specific discharge capacity of 105.5 mA h/g at 5.0 C, 90.3 mA h/g at 10 C and 66.7 mA h/g at 30 C with stable cycle performance, which is significantly improved compared with the pure LiFePO4/C. The cyclic voltammograms result reveals that V doping could decrease the resistance of LiFePO4/C composite electrode drastically and improve its reversibility.

  3. 14C2H4: distribution of 14C-labeled tissue metabolites in pea seedlings

    International Nuclear Information System (INIS)

    Giaquinta, R.; Beyer, E. Jr.

    1977-01-01

    The 14 C-metabolite distribution pattern following 14 C 2 H 4 metabolism in intact pea seedlings (Pisum sativum L.) was determined under various conditions. After a 24 hr exposure to 14 C 2 H 4 , the majority of 14 C-metabolites were water-soluble (60-70%) with lesser amounts in the protein (10-15%), lipid (1%), and insoluble (1-2%) fractions. Ion exchange chromatography of the water-soluble components into basic, neutral, and acidic fractions revealed a 50:40:10 distribution, respectively. Chromatography of the neutral fraction revealed two regions of radioactivity (Rf=0.38) and 0.63 which did not cochromatograph with twenty-two known sugars or neutral metabolites. Chromatograms of the basic fraction contained 3 regions of radioactivity. Similar distribution patterns were noted when 14 C 2 H 4 exposure was followed by a 6 hr air chase or when 5% CO 2 , an antagonist of ethylene action, was present during the exposure. Marked differences in the 14 C-metabolite distribution patterns were obtained when 14 CO 2 was substituted for 14 C 2 H 4 . These results indicate that the metabolic pathway involved in ethylene metabolism is different from that involved in intermediately carbon metabolism. (auth.)

  4. [4,6-Dimethylpyrimidine-2(1H-thione-κS]iodidobis(triphenylphosphane-κPcopper(I

    Directory of Open Access Journals (Sweden)

    Chaveng Pakawatchai

    2012-06-01

    Full Text Available In the mononuclear title complex, [CuI(C6H8N2S(C18H15P2], the CuI ion is in a slightly distorted tetrahedral coordination geometry formed by two P atoms from two triphenylphosphane ligands, one S atom from a 4,6-dimethylpyrimidine-2(1H-thione ligand and one iodide ion. There is an intramolecular N—H...I hydrogen bond. In the crystal, π–π stacking interactions [centroid–centroid distance = 3.594 (1 Å] are observed.

  5. (S-2-(4-Chlorobenzoyl-1,2,3,4-tetrahydrobenzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH-dione—Synthesis and Crystallographic Studies

    Directory of Open Access Journals (Sweden)

    Adam Mieczkowski

    2017-10-01

    Full Text Available (S-2-(4-Chlorobenzoyl-1,2,3,4-tetrahydrobenzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH-dione was obtained in a three-step, one-pot synthesis, starting from optically pure (S-2-piperazine carboxylic acid dihydrochloride. Selective acylation of the β-nitrogen atom followed by condensation with isatoic anhydride and cyclization with HATU/DIPEA to a seven-member benzodiazepine ring, led to the tricyclic benzodiazepine derivative. Crystallographic studies and initial biological screening were performed for the title compound.

  6. Alkali/TX{sub 2} catalysts for CO/H{sub 2} conversion to C{sub 1}-C{sub 4} alcohols. Technical progress report, March 1989--August 1989

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R.G.; Bastian, R.D.; Flanagan, K.L.

    1989-12-31

    Ruthenium disulfide catalysts have been synthesized, tested, and characterized during this period of research. It was observed that both the undoped and Cs-doped RuS{sub 2} catalysts produced alcohols and lower amounts of hydrocarbons from H{sub 2}/CO = 1.0 synthesis gas at temperatures above 300{degree}C. Calcination and catalytic testing resulted in partial reduction of the RuS{sub 2} to Ru{sup o}. Calcination under H{sub 2}S prevented the partial reduction of the RuS{sub 2} catalyst, but subsequent catalytic testing again resulted in the formation of a quantity of Ru{sup o}. A Cs-doped RuS{sub 2} catalyst was prepared, but it might have had too high of a loading of Cs. Upon testing, a lower activity was observed for the doped catalyst compared with the undoped catalyst, but the alcohol selectivity was the same for the two catalysts.

  7. A Green Desulfurization Technique: Utilization of Flue Gas SO2 to Produce H2 via a Photoelectrochemical Process Based on Mo-Doped BiVO4

    Directory of Open Access Journals (Sweden)

    Jin Han

    2017-12-01

    Full Text Available A green photoelectrochemical (PEC process with simultaneous SO2 removal and H2 production has attracted an increasing attention. The proposed process uses flue gas SO2 to improve H2 production. The improvement of the efficiency of this process is necessary before it can become industrial viable. Herein, we reported a Mo modified BiVO4 photocatalysts for a simultaneous SO2 removal and H2 production. And the PEC performance could be significantly improved with doping and flue gas removal. The evolution rate of H2 and removal of SO2 could be enhanced by almost three times after Mo doping as compared with pristine BiVO4. The enhanced H2 production and SO2 removal is attributed to the improved bulk charge carrier transportation after Mo doping, and greatly enhanced oxidation reaction kinetics on the photoanode due to the formation of SO32− after SO2 absorption by the electrolyte. Due to the utilization of SO2 to improve the production of H2, the proposed PEC process may become a profitable desulfurization technique.

  8. A green desulfurization technique: utilization of flue gas SO2 to produce H2 via a photoelectrochemical process based on Mo-doped BiVO4

    Science.gov (United States)

    Han, Jin; Li, Kejian; Cheng, Hanyun; Zhang, Liwu

    2017-12-01

    A green photoelectrochemical (PEC) process with simultaneous SO2 removal and H2 production has attracted an increasing attention. The proposed process uses flue gas SO2 to improve H2 production. The improvement of the efficiency of this process is necessary before it can become industrial viable. Herein, we reported a Mo modified BiVO4 photocatalysts for a simultaneous SO2 removal and H2 production. And the PEC performance could be significantly improved with doping and flue gas removal. The evolution rate of H2 and removal of SO2 could be enhanced by almost 3 times after Mo doping as compared with pristine BiVO4. The enhanced H2 production and SO2 removal is attributed to the improved bulk charge carrier transportation after Mo doping, and greatly enhanced oxidation reaction kinetics on the photoanode due to the formation of SO32- after SO2 absorption by the electrolyte. Due to the utilization of SO2 to improve the production of H2, the proposed PEC process may become a profitable desulfurization technique.

  9. Um estudo teórico de propriedades moleculares em complexos de hidrogênio trimoleculares C2H4···2HF, C2H2···2HF e C3h6···2HF A theoretical study of molecular properties of C2H4···2HF, C2H2···2HF AND C3H6···2HF trimolecular hydrogen-bonded complexes

    Directory of Open Access Journals (Sweden)

    Boaz G. Oliveira

    2008-01-01

    Full Text Available We present a theoretical study of molecular properties in C2H4···2HF, C2H2···2HF and C3H6···2HF trimolecular hydrogen-bonded complexes. From B3LYP/6-311++G(d,p calculations, the most important structural deformations are related to the C=C (C2H4, C≡C (C2H2, C-C (C3H6 and HF bond lengths. According to the Bader's atoms in molecules and CHELPG calculations, it was identified a tertiary interaction between the fluorine atom of the second hydrofluoric acid molecule and hydrogen atoms of the ethylene and acetylene within the C2H4···2HF and C2H2···2HF complexes, respectively. Additionally, the evaluation of the infrared spectrum characterized the new vibrational modes and bathochromic effect of the HF molecules.

  10. Effects of magnesium doping on electronic conductivity and electrochemical properties of LiFePO{sub 4} prepared via hydrothermal route

    Energy Technology Data Exchange (ETDEWEB)

    Ou, Xiuqin; Liang, Guangchuan; Wang, Li; Xu, Shengzhao; Zhao, Xia [Institute of Power Source and Ecomaterials Science, Box 1055, Hebei University of Technology, Tianjin 300130 (China)

    2008-10-01

    Carbon free composites Li{sub 1-x}Mg{sub x}FePO{sub 4} (x=0.00,0.02) were synthesized from LiOH, H{sub 3}PO{sub 4}, FeSO{sub 4} and MgSO{sub 4} through hydrothermal route at 180 C for 6h followed by being fired at 750 C for 6 h. The samples were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), flame atomic absorption spectroscopy and electronic conductivity measurement. To investigate their electrochemical properties, the samples were mixed with glucose as carbon precursors, and fired at 750 C for 6 h. The charge-discharge curves and cycle life test were carried out at 23{+-}2 C. The Rietveid refinement results of lattice parameters of the samples indicate that the magnesium ion has been successfully doped into the M1 (Li) site of the phospho-olivine structure. With the same order of magnitude, there is no material difference in terms of the electronic conductivities between the doped and undoped composites. Conductivities of the doped and undoped samples are 10{sup -10}S cm{sup -1} before being fired, 10{sup -9} S cm{sup -1} after being fired at 750 C, and 10{sup -1}S cm{sup -1} after coated with carbon, respectively. Both the doped and undoped composites coated with carbon exhibit comparable specific capacities of 146 mAh g{sup -1} vs. 144 mAh g{sup -1} at 0.2C, 140 mAh g{sup -1} vs. 138 mAh g{sup -1} at 1C, and 124 mAh g{sup -1} vs. 123 mAh g{sup -1} at 5C, respectively. The capacity retention rates of both doped and undoped samples over 50 cycles at 5C are close to 100% (vs. the first-cycle corresponding C-rate capacity). Magnesium doping has little effects on electronic conductivity and electrochemical properties of LiFePO{sub 4} composites prepared via hydrothermal route. (author)

  11. Electronic structure of homoleptic transition metal hydrides: TiH4, VH4, CrH4, MnH4, FeH4, CoH4, and NiH4

    International Nuclear Information System (INIS)

    Hood, D.M.; Pitzer, R.M.; Schaefer III, H.F.

    1979-01-01

    Ab initio molecular electronic structure theory has been applied to the family of transition metal tetrahydrides TiH 4 through NiH 4 . For the TiH 4 molecule a wide range of contracted Gaussian basis sets has been tested at the self-consistent-field (SCF) level of theory. The largest basis, labeled M(14s 11p 6d/10s 8p 3d), H(5s 1p/3s 1p), was used for all members of the series and should yield wave functions approaching true Hartree-Fock quality. Predicted SCF dissociation energies (relative to M+4H) and M--H bond distances are TiH 4 132 kcal, 1.70 A; VH 4 86 kcal, 1.64 A; CrH 4 65 kcal, 1.59 A; MnH 4 -- 36 kcal, 1.58 A; FeH 4 0 kcal, 1.58 A; CoH 4 27 kcal, 1.61 A; and NiH 4 18 kcal, 1.75 A. It should be noted immediately that each of these SCF dissociation energies will be increased by electron correlation effects by perhaps as much as 90 kcal. For all of these molecules except TiH 4 excited states have also been studied. One of the most interesting trends seen for these excited states is the shortening of the M--H bond as electrons are transferred from the antibonding 4t 2 orbital to the nonbonding 1e orbitals

  12. The superconducting gaps of C-substituted and Al-substituted MgB2 single crystals by point-contact spectroscopy

    International Nuclear Information System (INIS)

    Daghero, D.; Gonnelli, R.S.; Ummarino, G.A.; Calzolari, A.; Dellarocca, Valeria; Stepanov, V.A.; Zhigadlo, N.; Kazakov, S.M.; Karpinski, J.

    2005-01-01

    We studied the effects of carbon and aluminum substitutions on the gaps of the two-band superconductor MgB 2 by means of point-contact measurements in Mg(B 1-x C x ) 2 and Mg 1-y Al y B 2 single crystals with 0≤x≤0.132 and 0≤y≤0.21. The gap amplitudes, Δ ω and Δ π , were determined by fitting the conductance curves of the point contacts with the standard Blonder-Tinkham-Klapwijk (BTK) model generalized to the two-band case. Whenever possible, their values were confirmed by the independent fit (with a single-band BTK model) of the partial contribution of the two bands to the conductance, separated by means of a suitable magnetic field B*. In C-substituted crystals, the two gaps remain clearly distinct up to x∝0.10, but at x=0.132 we observed for the first time their merging into a single gap Δ≅3 meV with a gap ratio 2Δ=k B T c close to the standard BCS value. In Al-substituted crystals, we found no evidence of this gap merging. Instead, Δ π reaches the value 0.4 meV at y=0.21, where Δ π saturates at about 4 meV. These results are compared with other recent experimental findings in polycrystals and with the predictions of the models for multiband superconductivity. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Preparation and characterization of organic-inorganic hybrid perovskite (C4H9NH3)2CuCl4

    International Nuclear Information System (INIS)

    Xiao Zelong; Chen Hongzheng; Shi Minmin; Wu Gang; Zhou Renjia; Yang Zhisheng; Wang Mang; Tang Benzhong

    2005-01-01

    Organic-inorganic hybrid perovskite (C 4 H 9 NH 3 ) 2 CuCl 4 was prepared via the reaction between copper chloride and butylammonium chloride. Its chemical structure was characterized by FT-IR and elemental analysis. Its thin film was obtained by spin-coating, and X-ray diffraction (XRD) measurements indicated the formation of two-dimensional layered perovskites structure, with the c-axis perpendicular to the substrate surface. The electronic structure, thermal properties and electrical properties of the hybrid perovskite (C 4 H 9 NH 3 ) 2 CuCl 4 were also studied by UV-vis, photoluminescience (PL), TGA, DSC, and Hall measurement

  14. Fragmentation of C2H4 by charge-changing collisions of O2+ ions

    International Nuclear Information System (INIS)

    Sato, S.; Mizuno, T.; Yamada, T.; Imai, M.; Shibata, H.; Itoh, A.; Tsuchida, H.

    2009-01-01

    We investigated molecular fragmentation of C 2 H 4 in charge-changing collisions of 1.14MeV O 2+ ions. Branching ratios associated with decaying from temporary produced (C 2 H 4 ) r+ ions into various fragment channels were obtained. Dissociation via a C-C bond breaking is preferential in 1-electron loss collisions in comparison with 1-electron capture collisions. We confirmed that multiple ionization and dissociation rarely occur in electron capture collisions, while they occur rather strongly in electron loss collisions. (author)

  15. Synthesis, structure, optical, photoluminescence and magnetic properties of K2[Co(C2O4)2(H2O)24H2O

    Science.gov (United States)

    Narsimhulu, M.; Hussain, K. A.

    2018-06-01

    The synthesis, crystal structure, optical, photoluminescence and magnetic behaviour of potassium bis(oxalato)cobaltate(II)tertrahydrate{K2[Co(C2O4)2(H2O)24H2O} are described. The compound was grown at room temperature from mixture of aqueous solutions by slow evaporation method. The X-ray crystallographic data showed that the compound belongs to the monoclinic crystal system with P21/n space group and Z = 4. The UV-visible diffuse absorbance spectra exhibited bands at 253, 285 and 541 nm in the visible and ultraviolet regions. The optical band gap of the compound was estimated as 3.4 eV. At room temperature, an intense photoluminescence was observed from this material around 392 nm when it excited at 254 nm. The variable temperature dc magnetic susceptibility measurements exposed paramagnetic behaviour at high temperatures and antiferromagnetic ordering at low temperatures.

  16. 2-(4-Fluorophenyl-2H-chromen-4(3H-one

    Directory of Open Access Journals (Sweden)

    Michał Wera

    2012-02-01

    Full Text Available In the crystal structure of the title compound, C15H11FO2, molecules form inversion dimers through pairs of weak C—H...O hydrogen bonds. Dimers oriented in parallel, linked by C—H...π contacts, are arranged in columns along the b axis. The fluorophenyl ring and the benzene ring of the 2H-chromen-4(3H-one unit are inclined to one another by 70.41 (16°. They are respectively parallel in a given column or almost perpendicular [oriented at an angle of 87.8 (1°] in neighbouring (inversely oriented columns, forming a herringbone pattern.

  17. MgB2 and Mg1-xAlxB2 single crystals: high pressure growth and physical properties

    International Nuclear Information System (INIS)

    Karpinski, J.; Kazakov, S.M.; Jun, J.; Zhigadlo, N.D.; Angst, M.; Puzniak, R.; Wisniewski, A.

    2004-01-01

    Single crystals of MgB 2 have been grown with a high pressure cubic anvil technique. They grow via the peritectic decomposition of the MgNB 9 ternary nitride. The crystals are of a size up to 2 x 1 x 0.1 mm 3 with a weight up to 230 μg. Typically they have transition temperatures between 38 and 38.6 K with a width of 0.3-0.5 K. Investigations of the P-T phase diagram prove that the MgB 2 phase is stable at least up to 2190 deg. C at high hydrostatic pressure in the presence of Mg vapor under high pressure. Substitution of aluminum for magnesium in single crystals leads to stepwise decrease of T c . This indicates a possible appearance of superstructures or phases with different T c 's. The upper critical field decreases with Al doping

  18. Synthesis of La2O3 doped Zn2SnO4 hollow fibers by electrospinning method and application in detecting of acetone

    Science.gov (United States)

    Yang, H. M.; Ma, S. Y.; Yang, G. J.; Chen, Q.; Zeng, Q. Z.; Ge, Q.; Ma, L.; Tie, Y.

    2017-12-01

    Hollow porous pure and La2O3 doped Zn2SnO4 fibers were synthesized via single capillary electrospinning technology and used for obtaining of gas sensors. The as-prepared samples were characterized by microscopy, Brunauer-Emmett-Teller, X-ray photoelectron spectroscopy and UV-vis absorption spectra. The newly obtained gas sensors were investigated for acetone detection. Compared with pure Zn2SnO4 hollow fibers, the La2O3 doped Zn2SnO4 hollow fibers not only exhibited perfect sensing performance toward acetone with excellent selectivity, high response and fast response/recovery capability (7 s for adsorption and 9 s for desorption), but also the operating temperature was reduced from 240 °C to 200 °C. These results demonstrated that the special hollow porous La doped Zn2SnO4 fibers structures were used as the sensing material for fabricating high performance acetone sensors. The acetone sensing mechanism of La2O3 doped Zn2SnO4 hollow fibers was discussed too.

  19. Effects of antimony (Sb) on electron trapping near SiO{sub 2}/4H-SiC interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Mooney, P. M.; Jiang, Zenan; Basile, A. F. [Physics Department, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); Zheng, Yongju; Dhar, Sarit [Physics Department, Auburn University, Auburn, Alabama 36849 (United States)

    2016-07-21

    To investigate the mechanism by which Sb at the SiO{sub 2}/SiC interface improves the channel mobility of 4H-SiC MOSFETs, 1 MHz capacitance measurements and constant capacitance deep level transient spectroscopy (CCDLTS) measurements were performed on Sb-implanted 4H-SiC MOS capacitors. The measurements reveal a significant concentration of Sb donors near the SiO{sub 2}/SiC interface. Two Sb donor related CCDLTS peaks corresponding to shallow energy levels in SiC were observed close to the SiO{sub 2}/SiC interface. Furthermore, CCDLTS measurements show that the same type of near-interface traps found in conventional dry oxide or NO-annealed capacitors are present in the Sb implanted samples. These are O1 traps, suggested to be carbon dimers substituted for O dimers in SiO{sub 2}, and O2 traps, suggested to be interstitial Si in SiO{sub 2}. However, electron trapping is reduced by a factor of ∼2 in Sb-implanted samples compared with samples with no Sb, primarily at energy levels within 0.2 eV of the SiC conduction band edge. This trap passivation effect is relatively small compared with the Sb-induced counter-doping effect on the MOSFET channel surface, which results in improved channel transport.

  20. 2-Methylsulfanyl-5,6-dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxin-2-ium tetrafluoroborate

    Directory of Open Access Journals (Sweden)

    Guoquan Zhou

    2012-04-01

    Full Text Available The title compound, C6H7O2S3+·BF4−, consists of a planar 2-thioxo-1,3-dithiol-4,5-yl unit [maximum deviation from the ring plane = 0.020 (3 Å], with an ethylenedioxy group fused at the 4,5-positions; the ethylenedioxy C atoms are disordered over two positions with site-occupancy factors of 0.5. The 1,4-dioxine ring has a twist-chair conformation. Weak cation–anion S...F interactions [3.022 (4–3.095 (4 Å] and an S...O [3.247 (4 Å] interaction are present.

  1. Reaction mechanisms at 4H-SiC/SiO2 interface during wet SiC oxidation

    Science.gov (United States)

    Akiyama, Toru; Hori, Shinsuke; Nakamura, Kohji; Ito, Tomonori; Kageshima, Hiroyuki; Uematsu, Masashi; Shiraishi, Kenji

    2018-04-01

    The reaction processes at the interface between SiC with 4H structure (4H-SiC) and SiO2 during wet oxidation are investigated by electronic structure calculations within the density functional theory. Our calculations for 4H-SiC/SiO2 interfaces with various orientations demonstrate characteristic features of the reaction depending on the crystal orientation of SiC: On the Si-face, the H2O molecule is stable in SiO2 and hardly reacts with the SiC substrate, while the O atom of H2O can form Si-O bonds at the C-face interface. Two OH groups are found to be at least necessary for forming new Si-O bonds at the Si-face interface, indicating that the oxidation rate on the Si-face is very low compared with that on the C-face. On the other hand, both the H2O molecule and the OH group are incorporated into the C-face interface, and the energy barrier for OH is similar to that for H2O. By comparing the calculated energy barriers for these reactants with the activation energies of oxide growth rate, we suggest the orientation-dependent rate-limiting processes during wet SiC oxidation.

  2. An open-framework three-dimensional indium oxalate: [In(OH)(C2O4)(H2O)]3.H2O

    International Nuclear Information System (INIS)

    Yang Sihai; Li Guobao; Tian Shujian; Liao Fuhui; Lin Jianhua

    2005-01-01

    By hydrothermal reaction of In 2 O 3 with H 2 C 2 O 4 .2H 2 O in the presence of H 3 BO 3 at 155 deg. C, an open-framework three-dimensional indium oxalate of formula [In(OH)(C 2 O 4 )(H 2 O)] 3 .H 2 O (1) has been obtained. The compound crystallizes in the trigonal system, space group R3c with a=18.668(3)A, c=7.953(2)A, V=2400.3(7)A 3 , Z=6, R 1 =0.0352 at 298K. The small pores in 1 are filled with water molecules. It loses its filled water at about 180 deg. C without the change of structure, then the bounded water at 260 deg. C, and completely decompounds at 324 deg. C. The residue is confirmed to be In 2 O 3

  3. Co-hydrothermal synthesis of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C nano-hybrid cathode material with enhanced electrochemical performance for lithium-ion batteries

    International Nuclear Information System (INIS)

    Zhang, Jun; Luo, Shaohua; Chang, Longjiao; Hao, Aimin; Wang, Zhiyuan; Liu, Yanguo; Xu, Qian; Wang, Qing; Zhang, Yahui

    2017-01-01

    Highlights: • A co-hydrothermal approach to synthesize LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material in water/PEG system is present. • The Mn_1_-_xMg_xPO_4 precursor is prepared by precipitation reaction. • Co-modified with Mg"2"+ doping and LiAlO_2 compositing strategies play an important role in improving the electronic conductivity and facilitating the diffusion of lithium ion. • LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material exhibits a high specific discharge capacity of 151.8 mAh/g at 0.05C. - Abstract: LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C is synthesized by a co-hydrothermal method in water/PEG system using Li_2CO_3, AAO and Mn_1_-_xMg_xPO_4 as raw material. The electronic structure and micromorphology of multi-component compound LiMn_1_-_xMg_xPO_4/C (x = 0, 1/24, 1/12, 1/6) and nano-hybrid LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C cathode materials are studied by first-principles calculation and experimental research including XRD, SEM, TEM. The calculated band gap of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4/C is 2.296 eV, which is lower than other percentages Mg"2"+ doping samples. Electrochemical tests exhibit LiMn_2_3_/_2_4Mg_1_/_2_4PO_4/C has better cycling performance and rate capability than other contents Mg"2"+ doping samples with the discharge capacity of 143.5 mAh/g, 141.5 mAh/g, 139.2 mAh/g and 136.3 mAh/g at 0.05C, 0.1C, 0.5C and 1C in order. After compositing and preparation of LiMn_2_3_/_2_4Mg_1_/_2_4PO_4·LiAlO_2/C composite material by co-hydrothermal route, the initial discharge capacity reaches up to 151.8 mAh/g, which suggests that co-modified with Mg"2"+ doping and LiAlO_2 compositing material can improve the electronic conductivity of LiMnPO_4/C by facilitating the lithium ion diffusion rate in the interior of the materials.

  4. High critical currents in heavily doped (Gd,Y)Ba{sub 2}Cu{sub 3}O{sub x} superconductor tapes

    Energy Technology Data Exchange (ETDEWEB)

    Selvamanickam, V., E-mail: selva@uh.edu; Gharahcheshmeh, M. Heydari; Xu, A.; Galstyan, E.; Delgado, L. [Department of Mechanical Engineering and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Rd., Houston, Texas 77204-4006 (United States); Cantoni, C. [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37381 (United States)

    2015-01-19

    REBa{sub 2}Cu{sub 3}O{sub x} ((REBCO), RE = rare earth) superconductor tapes with moderate levels of dopants have been optimized for high critical current density in low magnetic fields at 77 K, but they do not exhibit exemplary performance in conditions of interest for practical applications, i.e., temperatures less than 50 K and fields of 2–30 T. Heavy doping of REBCO tapes has been avoided by researchers thus far due to deterioration in properties. Here, we report achievement of critical current densities (J{sub c}) above 20 MA/cm{sup 2} at 30 K, 3 T in heavily doped (25 mol. % Zr-added) (Gd,Y)Ba{sub 2}Cu{sub 3}O{sub x} superconductor tapes, which is more than three times higher than the J{sub c} typically obtained in moderately doped tapes. Pinning force levels above 1000 GN/m{sup 3} have also been attained at 20 K. A composition map of lift factor in J{sub c} (ratio of J{sub c} at 30 K, 3 T to the J{sub c} at 77 K, 0 T) has been developed which reveals the optimum film composition to obtain lift factors above six, which is thrice the typical value. A highly c-axis aligned BaZrO{sub 3} (BZO) nanocolumn defect density of nearly 7 × 10{sup 11 }cm{sup −2} as well as 2–3 nm sized particles rich in Cu and Zr have been found in the high J{sub c} films.

  5. Reaction rate and isomer-specific product branching ratios of C2H + C4H8: 1-butene, cis-2-butene, trans-2-butene, and isobutene at 79 K.

    Science.gov (United States)

    Bouwman, Jordy; Fournier, Martin; Sims, Ian R; Leone, Stephen R; Wilson, Kevin R

    2013-06-20

    The reactions of C2H radicals with C4H8 isomers 1-butene, cis-2-butene, trans-2-butene, and isobutene are studied by laser photolysis-vacuum ultraviolet mass spectrometry in a Laval nozzle expansion at 79 K. Bimolecular-reaction rate constants are obtained by measuring the formation rate of the reaction product species as a function of the reactant density under pseudo-first-order conditions. The rate constants are (1.9 ± 0.5) × 10(-10), (1.7 ± 0.5) × 10(-10), (2.1 ± 0.7) × 10(-10), and (1.8 ± 0.9) × 10(-10) cm(3) s(-1) for the reaction of C2H with 1-butene, cis-2-butene, trans-2-butene, and isobutene, respectively. Bimolecular rate constants for 1-butene and isobutene compare well to values measured previously at 103 K using C2H chemiluminescence. Photoionization spectra of the reaction products are measured and fitted to ionization spectra of the contributing isomers. In conjunction with absolute-ionization cross sections, these fits provide isomer-resolved product branching fractions. The reaction between C2H and 1-butene yields (65 ± 10)% C4H4 in the form of vinylacetylene and (35 ± 10)% C5H6 in the form of 4-penten-1-yne. The cis-2-butene and trans-2-butene reactions yield solely 3-penten-1-yne, and no discrimination is made between cis- and trans-3-penten-1-yne. Last, the isobutene reaction yields (26 ± 15)% 3-penten-1-yne, (35 ± 15)% 2-methyl-1-buten-3-yne, and (39 ± 15)% 4-methyl-3-penten-1-yne. The branching fractions reported for the C2H and butene reactions indicate that these reactions preferentially proceed via CH3 or C2H3 elimination rather than H-atom elimination. Within the experimental uncertainties, no evidence is found for the formation of cyclic species.

  6. Analysis of dosimetric peaks of MgB4O7:Dy (40% Teflon versus LiF:Mg,Ti TL detectors

    Directory of Open Access Journals (Sweden)

    Paluch-Ferszt Monika

    2016-03-01

    Full Text Available Magnesium tetraborate doped with dysprosium (MgB4O7:Dy is known as a good thermoluminophor for personal dosimetry of gamma ray and X-ray radiation because of its high sensitivity and close tissue equivalence. This material can be produced by different routes. The sintered pastilles of magnesium tetraborate mixed with Teflon (40% used in this work were manufactured at the Federal University of Sergipe, Department of Physics by the solid-state synthesis. Magnesium tetraborate was already used for high-dose dosimetry, exhibiting linearity for a wide range of doses. In this work, the authors examined its main characteristics prior to potential use of detectors in everyday dosimetry, comparing this material to a widely used LiF:Mg,Ti phosphor. The following tests influencing dosimetric peaks of MgB4O7:Dy were presented: (1 the shape of the glow curves, (2 annealing conditions and post-irradiation annealing and its influence for background of the detectors, (3 the choice of the heating rates at the read-out and (4 the threshold dose, that is, the lowest possible dose to be measured. Similar tests were performed with LiF:Mg,Ti detectors, produced and widely used in Poland. The results were compared and discussed.

  7. Comparing the Electrochemical Performance of LiFePO4/C Modified by Mg Doping and MgO Coating

    Directory of Open Access Journals (Sweden)

    Jianjun Song

    2013-01-01

    Full Text Available Supervalent cation doping and metal oxide coating are the most efficacious and popular methods to optimize the property of LiFePO4 lithium battery material. Mg-doped and MgO-coated LiFePO4/C were synthesized to analyze their individual influence on the electrochemical performance of active material. The specific capacity and rate capability of LiFePO4/C are improved by both MgO coating and Mg doping, especially the Mg-doped sample—Li0.985Mg0.015FePO4/C, whose discharge capacity is up to 163 mAh g−1, 145.5 mAh g−1, 128.3 mAh g−1, and 103.7 mAh g−1 at 1 C, 2C, 5 C, and 10 C, respectively. The cyclic life of electrode is obviously increased by MgO surface modification, and the discharge capacity retention rate of sample LiFePO4/C-MgO2.5 is up to 104.2% after 100 cycles. Comparing samples modified by these two methods, Mg doping is more prominent on prompting the capacity and rate capability of LiFePO4, while MgO coating is superior in terms of improving cyclic performance.

  8. N4H9Cu7S4: a hydrazinium-based salt with a layered Cu7S4- framework.

    Science.gov (United States)

    Mitzi, David B

    2007-02-05

    Crystals of a hydrazinium-based copper(I) sulfide salt, N4H9Cu7S4 (1), have been isolated by an ambient temperature solution-based process. In contrast to previously reported hydrazinium salts of main-group metal chalcogenides, which consist of isolated metal chalcogenide anions, and ACu7S4 (A = NH4+, Rb+, Tl+, K+), which contains a more three-dimensional Cu7S4- framework with partial Cu-site occupancy, the structure of 1 [P21, a = 6.8621(4) A, b = 7.9851(4) A, c = 10.0983(5) A, beta = 99.360(1) degrees , Z = 2] is composed of extended two-dimensional Cu7S4- slabs with full Cu-site occupancy. The Cu7S4- slabs are separated by a mixture of hydrazinium and hydrazine moieties. Thermal decomposition of 1 into copper(I) sulfide proceeds at a significantly lower temperature than that observed for analogous hydrazinium salts of previously considered metal chalcogenides, completing the transition at temperatures as low as 120 degrees C. Solutions of 1 may be used in the solution deposition of a range of Cu-containing chalcogenide films.

  9. Ethyl (E-2-(2,7-dimethyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-ylideneacetate

    Directory of Open Access Journals (Sweden)

    Oulemda Bassou

    2017-02-01

    Full Text Available In the title compound, C14H14O5, the two heterocyclic rings are coplanar (r.m.s. deviation = 0.008 Å, with the largest deviation from the mean plane being 0.012 (1 Å. The mean plane through the acetate group is inclined slightly with respect to the oxopyrano[4,3-b]pyran-4-yl system, as indicated by the dihedral angle of 1.70 (7° between them. Two intramolecular hydrogen bonds, completing S(6 ring motifs, are observed in the molecule. In the crystal, molecules are linked by weak C—H...O hydrogen bonds involving the same acceptor atom, forming chains propagating along the c-axis direction and enclosing R21(6 ring motifs. The chains are linked via offset π–π interactions [intercentroid distance = 3.622 (1 Å], involving inversion-related oxopyrano[4,3-b]pyran-4-yl ring systems, forming slabs parallel to the bc plane.

  10. Synthesis of N-(5-(Substitutedphenyl-4,5-dihydro-1H-pyrazol-3-yl-4H-1,2,4-triazol-4-amine from 4-Amino-4H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Ashvin D. Panchal

    2011-01-01

    Full Text Available N-(4H-1,2,4-Triazol-4-ylacetamide (2 were prepared by reaction of 4-amino-4H-1,2,4-triazole (1 with acetyl chloride in dry benzene. It has been reacted with various aromatic aldehyde to afford 3-(substitutedphenyl-N-(4H-1,2,4-triazol-4-ylacrylamide (3a-e. The synthesis of N-(5-substitutedphenyl-4,5-dihydro-1H-pyrazol-3-yl-4H-1,2,4-triazol-4-amine (4a-e is achieved by the cyclisation of 3a-e with hydrazine hydrate in ethanol. The structures of synthesized compounds were characterized by 1H NMR and IR spectroscopic studies. The purity of the compounds was checked by thin layer chromatography.

  11. Et2NH2C6H3(CO23SnBr2.4H2O: SYNTHESIS AND INFRARED STUDY

    Directory of Open Access Journals (Sweden)

    DAOUDA NDOYE

    2014-01-01

    Full Text Available The title compound has been obtained on allowing [C6H3(CO23(Et2NH23] to react with SnBr4. The molecular structure of Et2NH2C6H3(CO23SnBr2.4H2O has been determined on the basis of the infrared data. The suggested structure is a dimer in which each tin atom is hexacoordinated by two chelating C6H3(CO233- anions and two Br atoms. Cy2NH2+cations are involved through hydrogen bonds with non-coordinating CO2 groups. The suggested structure is a cage.

  12. Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te

    International Nuclear Information System (INIS)

    Pagola, G. I.; Ferraro, M. B.; Provasi, P. F.; Pelloni, S.; Lazzeretti, P.

    2014-01-01

    Calculations have been carried out for C 4 H 4 X 2 cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C=∇×B, is rationalized via a second-rank anapole magnetizability tensor a αβ , defined as minus the second derivative of the second-order interaction energy with respect to the components C α and B β . The average anapole magnetizability a ¯ equals −χ ¯ , the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χ α,βγ . It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole A α , having the same magnitude, but opposite sign, for two enantiomorphs

  13. Luminescence properties of Eu2+- and Ce3+-doped CaAl2S4 and application in white LEDs

    International Nuclear Information System (INIS)

    Yu Ruijin; Wang Jing; Zhang Jianhui; Yuan Haibin; Su Qiang

    2008-01-01

    The Eu 2+ - and Ce 3+ -doped CaAl 2 S 4 phosphors were comparatively synthesized by conventional solid-state reaction and the evacuated sealed quartz ampoule. The X-ray diffraction (XRD) patterns show that the sample with better crystalline quality was prepared by the evacuated sealed quartz ampoule, resulting in the enhancement of the emission intensity of Eu 2+ ion by a factor of 1.7. The intensive green LEDs were also fabricated by combining CaAl 2 S 4 :Eu 2+ with near-ultraviolet InGaN chips (λ em =395 nm). The dependence of as-fabricated green LEDs on forward-bias currents shows that it presents good chromaticity stability and luminance saturation, indicating that CaAl 2 S 4 :Eu 2+ is a promising green-emitting phosphor for a near-UV InGaN-based LED. In addition, the optical properties of CaAl 2 S 4 :Ce 3+ were systematically investigated by means of diffuse reflectance, photoluminescence excitation and emission, concentrating quenching and the decay curve. - Graphical abstract: The Eu 2+ - and Ce 3+ -doped CaAl 2 S 4 phosphors were comparatively synthesized by two methods. The emission intensity of Eu 2+ ion in sample synthesized by the evacuated sealed quartz ampoule method is by a factor of 1.7 as strong as that of Eu 2+ ion in sample prepared by the conventional solid-state reaction method

  14. Isolation and structures of sulfonium salts derived from thioethers: [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)].

    Science.gov (United States)

    Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael

    2009-10-07

    Two very unusual sulfonium salts, [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)], obtained from reaction of the thioethers with NbF(5) in CH(2)Cl(2) solution, are reported and their structures described; the eight-coordinate tetrafluoro Nb(v) cation of the dithioether is obtained from the same reaction.

  15. Enhancement of H2-sensing Properties of F-doped SnO2 Sensorby Surface Modification with SiO2

    Directory of Open Access Journals (Sweden)

    S. P. Khatkar

    2006-05-01

    Full Text Available Effects of surface chemical modification with sodium silicate on the gas-sensingproperties of F-doped SnO2 gas sensor designed and fabricated employing micro-electromechanical system (MEMS technology were investigated. Gas sensing properties of thesensor were checked against combustible gases like H2, CO, CH4 and C3H8 at a heatervoltage of 0.7 V. The H2 sensitivity of the surface modified F-doped SnO2 micro sensormarkedly increased and reached S = 175 which was found to be about 40 times more thanthat of unmodified sensor (S = ~ 4.2. The increase in the sensitivity is discussed in terms ofincreased resistivity and reduced permeation of gaseous oxygen into the underlying sensinglayer due to the surface modification of the sensor. The present micro-hydrogen sensor withenhanced sensitivity due to SiO2 incorporation is a low energy consuming portable sensormodule that can be mass-produced using MEMS technology at low cost.

  16. Obtention of agricultural gypsum traced on {sup 34} S (Ca{sup 34} SO{sub 4}.2H{sub 2}O), by chemical reaction between H{sub 2}{sup 34} SO{sub 4} and Ca(OH){sub 2}; Obtencao do gesso agricola marcado no {sup 34} S (Ca{sup 34} SO{sub 4}.2H{sub 2}O), por reacao quimica entre o H{sub 2}{sup 34} SO{sub 4} e Ca(OH){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Rossete, Alessandra L.R.M.; Bendassolli, Jose A.; Ignoto, Raquel de Fatima; Batagello, Hugo Henrique [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Isotopos Estaveis

    2002-07-01

    The gypsum (CaSO{sub 4}.2H{sub 2}O) has double function in the soil: as source of calcium and sulfur and reducing agent of aluminum saturation. The sulfur for the plants has acting in the vital functions and it is proven fact increase of the S deficiency in Brazilian soils. The isotope tracer {sup 34} S can elucidate important aspects in the sulfur cycle. The Ca{sup 34} SO{sub 4}.2H{sub 2}O was obtained by chemical reaction between Ca(OH){sub 2} and H{sub 2}{sup 34} SO{sub 4} solution. The acid was obtained by chromatography ionic change, using cationic resin Dowex 50WX8 and Na{sub 2}{sup 34} SO{sub 4} solution. The reaction was realized under slow agitation. After the reaction, the precipitate was separated and dried in ventilated stove at 60 deg C temperature. The Mass of the Ca{sup 34} SO{sub 4}.2H{sub 2}O produced was determined by method gravimetric. This way, a system contends resin 426 cm{sup 3}, considering volume of 2.2 liters can be obtained a solution contends 44.2 g of H{sub 2}{sup 34} SO{sub 4}, theoretically could be produced 78.0 g of Ca{sup 34} SO{sub 4}.2H{sub 2}O approximately. With results of the tests were verified that there was not total precipitation of the Ca{sup 34}SO{sub 4}.2H{sub 2}O. Were produced 73.7{+-} 0.6 g of Ca{sup 34} SO{sub 4}.2H{sub 2}O representing average income 94.6{+-}0.8 %. The purity of the produced CaSO{sub 4}.2H{sub 2}O was 98%. (author)

  17. A chiral mixed carboxylate, [Nd4(H2O)2(OOC(CH2)3COO)4(C2O4)2], exhibiting NLO properties

    International Nuclear Information System (INIS)

    Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C.N.R.

    2004-01-01

    Reaction of a mixture of neodymium carbonate, HCl, oxamic acid and glutaric acid under hydrothermal conditions gives rise to a new mixed carboxylate of neodymium, [Nd 4 (H 2 O) 2 (OOC(CH 2 ) 3 COO) 4 (C 2 O 4 ) 2 ], I. The structure, determined using single crystal X-ray diffraction, comprises a helical column formed by the grafting of the oxalate unit on to helical NdO 9 chains, cross-linked by the glutarate anions. It is noteworthy that the pitch of the helix is equivalent to the length of the oxalate unit. Furthermore, I shows about 1.1 times the SHG activity of urea

  18. (C6H16N2)Zn3(HPO3)4H2O: a new layered zinc phosphite templated by diprotonated trans-1,4-diaminocyclohexane

    International Nuclear Information System (INIS)

    Wang Yu; Yu Jihong; Li Yi; Du Yu; Xu Ruren; Ye Ling

    2003-01-01

    Employing trans-1,4-diaminocyclohexane (trans-1,4-DACH) as a template, a new two-dimensional layered zinc phosphite (C 6 H 16 N 2 )Zn 3 (HPO 3 ) 4 H 2 O (1) has been prepared hydrothermally. Single-crystal X-ray diffraction analysis shows that it crystallizes in the monoclinic space group P2 1 /n with a=10.458(2) A, b=14.720(3) A, c=13.079(3) A, β=97.93(3) deg. , V=1994.1(7) A 3 , Z=4, R 1 =0.0349 (I>2σ(I)) and wR 2 =0.0605 (all data). The inorganic layer is built up by alternation of ZnO 4 tetrahedra and HPO 3 pseudo pyramids forming a 4.6.8-net. The sheet is featured by a series of capped six-membered rings. The diprotonated trans-1,4-DACH molecules reside in the interlayer region and interact with the inorganic network through H-bonds

  19. Synthesis and physical-chemical properties of 2-((4-R-3-(morpholinomethylen-4H-1,2,4-triazole-5ylthioacetic acid

    Directory of Open Access Journals (Sweden)

    R. О. Shcherbyna

    2014-12-01

    Full Text Available The creation and improvement of the original domestic medicines is anactual problem of medical and pharmaceutical industries. Chemistry of heterocyclicsystems attracts scientists all over the world, as it is associated with a number of properties of this class of compounds which allow to use them for various purposes. It is known that the morpholine salts of 2-((4-R-5-R1-4H-1,2,4-triazoles-3-ylthioacetic acids exhibit low toxicity and pronounced pharmacological effect. The additional morpholine moiety in the 1,2,4-triazole’s nucleusshould lead to compounds with high biological activity. The aim of researchis the synthesis of 2-((4-R-3-(morpholinomethylen-4H-1,2,4-triazole-5-ylthioaceticacidsand determination of its physical-chemical properties. Materials and methods.The determinationof physical-chemical propertiesof the obtained compounds has been carried out according to the methods listed in the State Pharmacopoeia of Ukraine. The determinationof melting temperature has been performed for the synthesized compounds (device OptiMelt Stanford Research Systems MPA100. The structure of the compoundshas been confirmed by 1H NMR spectroscopy (Mercury 400, chromatography-mass spectrometry (Agilent 1260 Infinity device with mass detector Agilent 6120 LC / MS and elemental analysis (ElementarVario L cube. Results.14 new synthesized compounds, namely isopropyl 2-morpholinoacetate, 2-morpholinoacetohydrazide, N-R-2-(2-morpholinoacetylhydrazinecarbothioamides, 2-(2-morpholinoacetyl-hydrazinecarbothioamide, 3-(morpholinomethyl-4-R-4H-1,2,4-triazole-5-thiolesand2-((4-R-3-(morpholinomethylen-4H-1,2,4-triazole-5-ylthioaceticacid(where, R=H, CH3, C2H5,C6H5 have been studied.The fragmentation of 2-((4-ethyl-3-(morpholinomethyl-4H-1,2,4-triazol-5-ylthioacetic acid has been carried out usingmethod of LC/MS and fragment ions have been identified. The structure of the synthesized compounds in all cases has been confirmed by modern instrumental methods of analysis

  20. One-pot synthesis of K-doped g-C3N4 nanosheets with enhanced photocatalytic hydrogen production under visible-light irradiation

    Science.gov (United States)

    Wang, Yanyun; Zhao, Shuo; Zhang, Yiwei; Fang, Jiasheng; Zhou, Yuming; Yuan, Shenhao; Zhang, Chao; Chen, Wenxia

    2018-05-01

    Graphite carbon nitride (g-C3N4), as a promising low cost, visible light driven conjugated polymer semiconductor photocatalyst, has attracted wide attentions from researchers. However, low light absorption efficiency and inadequate charge separation limit the potential applications of g-C3N4. This paper exhibits K-doped g-C3N4 prepared by a facile thermal polymerization with KBr as the K source. The experiments of photocatalytic hydrogen evolution demonstrate that KBr content strongly affects the activity of the catalyst. XRD, FT-IR, XPS, SEM, TEM, UV-vis diffuse reflectance spectra, photoluminescence (PL) characterization methods are used to study the effects of potassium on the catalyst performance. The results find that K-modified g-C3N4 has a narrower band gap and enhanced light harvesting properties. Moreover, the photocatalytic hydrogen evolution rate (HER) of the optimized K-doped g-C3N4 nanosheets (10 wt % KBr) reaches 1337.2 μmol g-1h-1, which is about 5.6 times in comparison with that of pure g-C3N4 (239.8 μmol g-1h-1). The doping of the potassium may increase the π-conjugated systems and accelerate the electron transport rate, then improve the photocatalytic properties. Based on the results of the analysis, a possible mechanism is proposed.

  1. Chloride-based fast homoepitaxial growth of 4H-SiC films in a vertical hot-wall CVD

    Science.gov (United States)

    Guoguo, Yan; Feng, Zhang; Yingxi, Niu; Fei, Yang; Xingfang, Liu; Lei, Wang; Wanshun, Zhao; Guosheng, Sun; Yiping, Zeng

    2016-06-01

    Chloride-based fast homoepitaxial growth of 4H-SiC epilayers was performed on 4° off-axis 4H-SiC substrates in a home-made vertical hot-wall chemical vapor deposition (CVD) system using H2-SiH4-C2H4-HCl. The effect of the SiH4/H2 ratio and reactor pressure on the growth rate of 4H-SiC epilayers has been studied successively. The growth rate increase in proportion to the SiH4/H2 ratio and the influence mechanism of chlorine has been investigated. With the reactor pressure increasing from 40 to 100 Torr, the growth rate increased to 52 μm/hand then decreased to 47 μm/h, which is due to the joint effect of H2 and HCl etching as well as the formation of Si clusters at higher reactor pressure. The surface root mean square (RMS) roughness keeps around 1 nm with the growth rate increasing to 49 μm/h. The scanning electron microscope (SEM), Raman spectroscopy and X-ray diffraction (XRD) demonstrate that 96.7 μm thick 4H-SiC layers of good uniformity in thickness and doping with high crystal quality can be achieved. These results prove that chloride-based fast epitaxy is an advanced growth technique for 4H-SiC homoepitaxy. Project supported by the National High Technology R&D Program of China (No. 2014AA041402), the National Natural Science Foundation of China (Nos. 61474113, 61274007, 61574140), the Beijing Natural Science Foundation of China (Nos. 4132076, 4132074), the Program of State Grid Smart Grid Research Institute (No. SGRI-WD-71-14-004), and the Youth Innovation Promotion Association of CAS.

  2. 5-Isopropylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione

    Directory of Open Access Journals (Sweden)

    Yoshiro Yamashita

    2009-05-01

    Full Text Available The title compound, C7H6S5, contains a 5-ylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione framework, which is an important synthetic precursor of multi-dimensional organic superconductors and conductors. The molecular framework is planar with an r.m.s. deviation of 0.012 Å for the non-H atoms. In the crystal structure, molecules are linked by short intermolecular S...S interactions [3.501 (5 and 3.581 (4 Å], constructing a zigzag molecular tape network along the c axis.

  3. Advanced LiTi2(PO4)3@N-doped carbon anode for aqueous lithium ion batteries

    International Nuclear Information System (INIS)

    He, Zhangxing; Jiang, Yingqiao; Meng, Wei; Zhu, Jing; Liu, Yang; Dai, Lei; Wang, Ling

    2016-01-01

    Highlights: • LiTi 2 (PO 4 ) 3 @N-doped carbon anode was prepared by in-situ coating approach for aqueous lithium ion batteries. • The well-proportioned N-doped carbon layer and loose nanoporous structure was obtained using urea as nitrogen source and pore former. • LiTi 2 (PO 4 ) 3 @N-doped carbon demonstrates excellent rate performance and good cycling stability. - Abstract: In this paper, LiTi 2 (PO 4 ) 3 @N-doped carbon anode has been synthesized by in situ carbon coating approach. The well-proportioned N-doped carbon layer and loose nanoporous structure was obtained by using urea as nitrogen source and pore former. LiTi 2 (PO 4 ) 3 @N-doped carbon as anode demonstrates much better rate capability than LiTi 2 (PO 4 ) 3 @carbon in ALIBs. The optimized anode delivers the discharge capacity of 93.7 mAh g −1 and 74.2 mAh g −1 at rates of 10C and 20C, 22.5 mAh g −1 and 50.0 mAh g −1 larger than that of LiTi 2 (PO 4 ) 3 @carbon. Moreover, LiTi 2 (PO 4 ) 3 @N-doped carbon exhibits excellent cycling performance with capacity retention of 84.3% at 5C after 1000 cycles. As verified, the well-proportioned N-doped carbon layer could reduce charge transfer resistance and improve electrical conductivity. The loose nanoporous structure could shorten pathway and facilitate diffusion for Li ion. Therefore, LiTi 2 (PO 4 ) 3 @N-doped carbon gets the superior electrochemical properties benefiting from those two characteristics.

  4. Mixed-state flux dynamics in bulk MgB2

    International Nuclear Information System (INIS)

    Li Shi; Taylor, B.J.; Frederick, N.A.; Maple, M.B.; Nesterenko, V.F.; Indrakanti, S.S.

    2002-01-01

    Electric field vs. current density (E-J) isotherms in the mixed-state of a bulk sample of the high-temperature superconductor MgB 2 (T c =38.5 K), synthesized under 200 MPa pressure by hot isostatic pressing (HIPing), have been measured and analyzed in terms of the critical scaling model. Magnetization data reveal distinctly different critical current density (J c ) behaviors in high and low magnetic field critical scaling regions. E-J isotherm sets at fields ranging from 2 to 90 kOe conform to the vortex-glass (VG) scaling anzatz. Scaling analysis, resistivity data and J c data suggest that a Bragg-glass state may exist for H c2 (T), the VG transition line H g (T), and the magnetic irreversibility line H irr (T) has been established for bulk MgB 2

  5. Hydrothermal synthesis and crystal structures of new uranyl oxalate hydroxides: α- and β-[(UO2)2(C2O4)(OH)2(H2O)2] and [(UO2)2(C2O4)(OH)2(H2O)2].H2O

    International Nuclear Information System (INIS)

    Duvieubourg, Laurence; Nowogrocki, Guy; Abraham, Francis; Grandjean, Stephane

    2005-01-01

    Two modifications of the new uranyl oxalate hydroxide dihydrate [UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ] (1 and 2) and one form of the new uranyl oxalate hydroxide trihydrate [(UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ].H 2 O (3) were synthesized by hydrothermal methods and their structures determined from single-crystal X-ray diffraction data. The crystal structures were refined by full-matrix least-squares methods to agreement indices R(wR)=0.0372(0.0842) and 0.0267(0.0671) calculated for 1096 and 1167 unique observed reflections (I>2σ(I)), for α (1) and β (2) forms, respectively and to R(wR)=0.0301(0.0737) calculated for 2471 unique observed reflections (I>2σ(I)), for 3. The α-form of the dihydrate is triclinic, space group P1-bar , Z=1, a=6.097(2), b=5.548(2), c=7.806(3)A, α=89.353(5), β=94.387(5), γ=97.646(5) o , V=260.88(15)A 3 , β-form is monoclinic, space group C2/c, Z=4, a=12.180(3), b=8.223(2), c=10.777(3)A, β=95.817(4), V=1073.8(5)A 3 . The trihydrate is monoclinic, space group P2 1 /c, Z=4, a=5.5095(12), b=15.195(3), c=13.398(3)A, β=93.927(3), V=1119.0(4)A 3 . In the three structures, the coordination of uranium atom is a pentagonal bipyramid composed of dioxo UO 2 2+ cation perpendicular to five equatorial oxygen atoms belonging to one bidentate oxalate ion, one water molecule and two hydroxyl ions in trans configuration in 2 and in cis configuration in 1 and 3. The UO 7 polyhedra are linked through hydroxyl oxygen atoms to form different structural building units, dimers [U 2 O 10 ] obtained by edge-sharing in 1, chains [UO 6 ] ∼ and tetramers [U 4 O 26 ] built by corner-sharing in 2 and 3, respectively. These units are further connected by oxalate entities that act as bis-bidentate to form one-dimensional chains in 1 and bi-dimensional network in 2 and 3. These chains or layers are connected in frameworks by hydrogen-bond arrays

  6. 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)

  7. N-(2-Chlorophenyl-2-({5-[4-(methylsulfanylbenzyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanylacetamide

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-08-01

    Full Text Available In the title molecule, C24H21ClN4OS2, the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9, 86.66 (9 and 82.70 (10° with the chloro-substituted benzene ring, the methylsulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, molecules are linked into sheets parallel to (100 by intermolecular N—H...N and weak C—H...O hydrogen bonds.

  8. Development of 10 kV 4H-SiC JBS diode with FGR termination

    International Nuclear Information System (INIS)

    Huang Runhua; Tao Yonghong; Cao Pengfei; Wang Ling; Li Rui; Chen Gang; Bai Song; Li Yun; Zhao Zhifei

    2014-01-01

    The design, fabrication, and electrical characteristics of the 4H-SiC JBS diode with a breakdown voltage higher than 10 kV are presented. 60 floating guard rings have been used in the fabrication. Numerical simulations have been performed to select the doping level and thickness of the drift layer and the effectiveness of the edge termination technique. The n-type epilayer is 100 μm in thickness with a doping of 6 × 10 14 cm −3 . The on-state voltage was 2.7 V at J F = 13 A/cm 2 . (semiconductor devices)

  9. DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene

    International Nuclear Information System (INIS)

    Zhang, Hong-ping; Luo, Xue-gang; Song, Hong-tao; Lin, Xiao-yan; Lu, Xiong; Tang, Youhong

    2014-01-01

    Highlights: • Fe-doped and Pt-doped graphene can significantly improve the interactions between H 2 S and graphene. • The location of S had an important role in the interactions between H 2 S and Fe-doped graphene. • The influence of Fe-S distance can be very weak in a certain range and H 2 S can be dissociated into S and H 2 . - Abstracts: Understanding the interaction mechanisms of hydrogen sulfide (H 2 S) with graphene is important in developing graphene-based sensors for gas detection and removal. In this study, the effects of doped Fe atom on interaction of H 2 S with graphene were investigated by density functional theory calculations. Analyses of adsorption energy, electron density difference, and density of states indicated that the doped Fe atom can significantly improve the interaction of H 2 S gas molecules with graphene, as well as Pt-doped graphene. The location of the sulfur atom is important in the interactions between H 2 S and Fe-doped graphene. The influence of the Fe-S distance can be very weak within a certain distance, as simulated in this study

  10. Electromagnetic Properties of (Gd, Y)Ba2Cu3Ox Superconducting Tapes With High Levels of Zr Addition

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Y; Yao, Y; Chen, Y; Khatri, ND; Liu, J; Galtsyan, E; Lei, C; Selvamanickam, V

    2013-06-01

    The dependence of the critical current density (J(c)) on the orientation of applied magnetic fields was studied in Zr-doped (Gd, Y)Ba2Cu3Ox tapes fabricated by metal organic chemical vapor deposition. The in-field performance of J(c) of (Gd, Y)Ba2Cu3Ox tapes with Zr-doping levels of 7.5-30 at.% was investigated up to 5 T over a temperature range of 40-77 K. The highest critical currents (I-c) at H parallel to c and the highest values of minimum Ic in angular dependence measurements were achieved in the tapes with 20% Zr doping over a broad range of temperature and magnetic field conditions measured. The electromagnetic properties have been related to the changes in BaZrO3 content and microstructure.

  11. The Cytoprotective Effects of E-α-(4-Methoxyphenyl-2',3,4,4'-Tetramethoxychalcone (E-α-p-OMe-C6H4-TMC--A Novel and Non-Cytotoxic HO-1 Inducer.

    Directory of Open Access Journals (Sweden)

    Kai B Kaufmann

    Full Text Available Cell protection against different noxious stimuli like oxidative stress or chemical toxins plays a central role in the treatment of many diseases. The inducible heme oxygenase isoform, heme oxygenase-1 (HO-1, is known to protect cells against a variety of harmful conditions including apoptosis. Because a number of medium strong electrophiles from a series of α-X-substituted 2',3,4,4'-tetramethoxychalcones (α-X-TMCs, X = H, F, Cl, Br, I, CN, Me, p-NO2-C6H4, Ph, p-OMe-C6H4, NO2, CF3, COOEt, COOH had proven to activate Nrf2 resulting in HO-1 induction and inhibit NF-κB downstream target genes, their protective effect against staurosporine induced apoptosis and reactive oxygen species (ROS production was investigated. RAW264.7 macrophages treated with 19 different chalcones (15 α-X-TMCs, chalcone, 2'-hydroxychalcone, calythropsin and 2'-hydroxy-3,4,4'-trimethoxychalcone prior to staurosporine treatment were analyzed for apoptosis and ROS production, as well as HO-1 protein expression and enzyme activity. Additionally, Nrf2 and NF-κB activity was assessed. We found that amongst all tested chalcones only E-α-(4-methoxyphenyl-2',3,4,4'-tetramethoxychalcone (E-α-p-OMe-C6H4-TMC demonstrated a distinct, statistically significant antiapoptotic effect in a dose dependent manner, showing no toxic effects, while its double bond isomer Z-α-p-OMe-C6H4-TMC displayed no significant activity. Also, E-α-p-OMe-C6H4-TMC induced HO-1 protein expression and increased HO-1 activity, whilst inhibition of HO-1 by SnPP-IX abolished its antiapoptotic effect. The only weakly electrophilic chalcone E-α-p-OMe-C6H4-TMC reduced the staurosporine triggered formation of ROS, while inducing the translocation of Nrf2 into the nucleus. Furthermore, staurosporine induced NF-κB activity was attenuated following E-α-p-OMe-C6H4-TMC treatment. Overall, E-α-p-OMe-C6H4-TMC demonstrated its effective cytoprotective potential via a non-toxic induction of HO-1 in RAW264

  12. Synthesis, crystal structure, thermal analysis and dielectric properties of Rb4(SO4)(HSO4)2(H3AsO4) compound

    Science.gov (United States)

    Belhaj Salah, M.; Nouiri, N.; Jaouadi, K.; Mhiri, T.; Zouari, N.

    2018-01-01

    A new inorganic Rb4(SO4)(HSO4)2(H3AsO4) compound was prepared. It was found to crystallize in the monoclinic system (P21 space group) with the following lattice parameters: a = 5868 (1) Å, b = 13,579(2) Å, c = 11,809 (3) Å and β = 94,737 (1)°. The structure is characterized by SO42-, HSO4- and H3AsO4 tetrahedra connected by hydrogen bridge to form two types of dimmer (H(8)S(2)O4- … S(1)O42- and H(12)S(2)O4- … H3AsO4). These dimmers are interconnected by both hydrogen bonds O(14)sbnd H(14)· · ·O(4) and O(15)sbnd H(15)· · ·O(2). They are also linked by the hydrogen bridge assured by the hydrogen atoms H(2), H(3) and H(4) of the H3AsO4 group to build the chain S(1)O4H3AsO4 which are parallel to the ''a'',direction. The rubidium cations are coordinated by eight oxygen atoms with Rbsbnd O distance ranging from 2893(8) to 3.415(6) Å. The existence of Osbnd H and (S/As)sbnd O bonds in the structure at room temperature has been confirmed by IR and Raman spectroscopy in the frequency ranges 4000-400 cm-1and 1200 - 50 cm-1, respectively. Thermal analysis of Rb4(HSO4)(HSO4)2(H3AsO4) showed that the transformation to high temperature phase occurs at 407 K by one-step process. Thermal decomposition of the product takes place at much higher temperatures, with an onset of approximately 522 K. The first transition detected by differential scanning calorimetry (DSC) was also analyzed by dielectric and conductivity measurements using the impedance spectroscopy techniques. The conductivity in the high temperature phase at 428 K is 1.04 × 10-3 Ω-1 cm-1, and the activation energy for the proton transport is 0.36 eV. The conductivity relaxation parameters associated with the high disorder protonic conduction have been examined from analysis of the M"/M"max spectrum measured in a wide temperature range. Transport properties of this material appear to be due to the proton hopping mechanism. The obtained results show that this transition is protonic by nature.

  13. Luminescence properties of Sm"3"+ doped YPO_4: Effect of solvent, heat-treatment, Ca"2"+/W"6"+-co-doping and its hyperthermia application

    International Nuclear Information System (INIS)

    Dutta, Dimple P.; Ningthoujam, R. S.; Tyagi, A. K.

    2012-01-01

    Sm"3"+ doped YPO_4 spherical nanoparticles are prepared by wet chemical route. Pure YPO_4 shows the tetragonal phase, which is stable up to 900 °C, whereas pure SmPO_4 shows the phase transition from hexagonal to monoclinic when heated above 800 °C. The (2-10 at.%) Sm"3"+ doped YPO_4 shows the mixture of phases of tetragonal and hexagonal, which transform to the tetragonal phase above 800 °C. Infra-red study could distinguish confined water in the pore of hexagonal phase from water present on the surface of particles. Luminescence intensities of Sm"3"+ at 564, 601 and 645 nm are weak in case of as-prepared samples because of high non-radiative rate arising from the H_2O molecules present in pores of hexagonal lattice. The intensities increase for samples heated up to 900 °C because of increase of extent of radiative rate. Luminescence lifetime increases with increase of heat-treatment up to 900 °C. When solvent of as-prepared sample was changed from the H_2O to D_2O, 5 times enhancement in luminescence intensity is observed, which can be ascribed to the lower vibration energy of D-O over H-O, which is near to Sm"3"+. When Y"3"+ and P"5"+ ions are substituted by Ca"3"+ and W"3"+ up to 3 at.%, there is an enhancement of luminescence. In order to use them as bio-labeling in drug delivery for hyperthermia applications, hybrid of Fe_3O_4@YPO_4:7Sm is prepared and heating up to 45 °C is observed under AC magnetic field.

  14. 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

  15. Specific primary ionization induced by minimum ionizing electrons in CH4, C2H6, C3H8, i-C4H10, Ar, DME,TEA and TMAE

    International Nuclear Information System (INIS)

    Melamud, G.; Breskin, A.; Chechik, R.; Pansky, A.

    1992-10-01

    Specific primary ionization induced by minimum ionizing electrons has been measured in several gases and vapors. Charges deposited by β-electrons in a low pressure gas, were collected, amplified by a multistep gaseous electron multiplier and counted. The high counting efficiency of the multiplier provided results of systematically higher values as compared to existing data. The respective values of the specific primary ionization in CH 4 C 2 H 6 , C 3 H 8 ,i-C 4 H 10 , Argon, Dimethylether, Triethylamine and Tetrakis(dimethylamino) ethylene are: 0.034, 0.065, 0.095, 0.12, 0.03, 0.082, 0.0195 and 0.370 clusters/cm*Torr. We present the experimental method and discuss the results and their accuracy. (authors)

  16. Syntheses of 4-aminobutanoic acid-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/ and progabide-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/

    Energy Technology Data Exchange (ETDEWEB)

    Davis, B.

    1987-10-01

    4-Aminobutanoic acid-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/ were synthesized in high yield with high deuterium incorporation, and then converted into the corresponding deuterium-labelled anti-convulsant drug, progabide, by means of a transimination reaction.

  17. Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

    International Nuclear Information System (INIS)

    Adams, R.D.; Golembski, N.M.

    1979-01-01

    The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

  18. 3-Methyl-4-(3-methylphenyl-5-(2-pyridyl-4H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Dun-Ru Zhu

    2009-05-01

    Full Text Available In the molecule of the title compound, C15H14N4, the triazole ring is oriented at dihedral angles of 30.8 (2 and 67.4 (2° with respect to the pyridine and benzene rings, respectively. The crystal structure is stabilized by C—H...N hydrogen-bonding interactions, forming chains of molecules along [overline{1}01].

  19. Tests on MgB2 for Application to SRF Cavities

    International Nuclear Information System (INIS)

    Tajima, T.; Canabal, A.; Los Alamos; Zhao, Y.; Wollongong U.; Romanenko, A.; Cornell U., LNS; Nantista, C.; Tantawi, S.; SLAC; Phillips, L.; Jefferson Lab; Iwashita, Y.; Kyoto U., Inst. Chem. Res.; Campisi, I.; Oak Ridge; Moeckly, B.; Superconductor Tech., Santa Barbara

    2006-01-01

    Magnesium diboride (MgB 2 ) has a transition temperature (T c ) of ∼40 K, i.e., about 4 times higher than niobium (Nb). Studies in the last 3 years have shown that it could have about one order of magnitude less RF surface resistance (R s ) than Nb at 4 K and seems to have much less power dependence than high-T c materials such as YBCO. However, it was also found that it will depend on the way you deposit the film. The result from on-axis pulsed laser deposition (PLD) showed rapid increase in R s with higher surface magnetic fields compared to the film deposited with reactive evaporation method

  20. Sorption properties and reversibility of Ti(IV) and Nb(V)-fluoride doped-Ca(BH{sub 4}){sub 2}-MgH{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Bonatto Minella, Christian, E-mail: christian.minella@kit.edu [Institute for Metallic Materials, IFW Dresden, Helmholtzstrasse 20, D-01069 Dresden (Germany); Technische Universität Dresden, D-01062 Dresden (Germany); Garroni, Sebastiano [Dipartimento di Chimica e Farmacia, Universitá di Sassari and INSTM, Via Vienna 2, I-07100 Sassari (Italy); Pistidda, Claudio [Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Zentrum für Material- und Küstenforschung GmbH, Max Planck Str. 1, D-21502 Geesthacht (Germany); Baró, Maria Dolors [Departament de Física, Universitat Autònoma de Barcelona, E-08193 Bellaterra (Spain); Gutfleisch, Oliver [Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 16, 64287 Darmstadt (Germany); Klassen, Thomas; Dornheim, Martin [Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Zentrum für Material- und Küstenforschung GmbH, Max Planck Str. 1, D-21502 Geesthacht (Germany)

    2015-02-15

    Highlights: • Faster desorption reaction for doped materials vs. the pure composite system. • Kinetic improvement concerning re-hydrogenation reaction showed by the addition of NbF{sub 5}. • Full characterization of the de-hydrogenation reaction pathway by means of both SR-PXD and {sup 11}B{"1H} MAS-NMR. • Study of the evolution of the chemical state of the additives upon both milling and sorption reactions. - Abstract: In the last decade, alkaline and alkaline earth metal tetrahydroborates have been the focuses of the research due to their high gravimetric and volumetric hydrogen densities. Among them, Ca(BH{sub 4}){sub 2} and the Ca(BH{sub 4}){sub 2} + MgH{sub 2} reactive hydride composites (RHC), were calculated to have the ideal thermodynamic properties which fall within the optimal range for mobile applications. In this study, the addition of NbF{sub 5} or TiF{sub 4} to the Ca(BH{sub 4}){sub 2} + MgH{sub 2} reactive hydride composite system was attempted aiming to obtain a full reversible system with the simultaneous suppression of CaB{sub 12}H{sub 12}. Structural characterization of the specimens was performed by means of in-situ Synchrotron Radiation Powder X-ray diffraction (SR-PXD) and {sup 11}B{"1H} Solid State Magic Angle Spinning-Nuclear Magnetic Resonance (MAS-NMR). The evolution of the chemical state of the Nb- and Ti-based additives was monitored by X-ray Absorption Near Edge Structure (XANES). The addition of NbF{sub 5} or TiF{sub 4} to the Ca(BH{sub 4}){sub 2} + MgH{sub 2} system have not suppressed completely the formation of CaB{sub 12}H{sub 12} and only a slight improvement concerning the reversible reaction was displayed just in the case of Nb-doped composite material.

  1. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

    International Nuclear Information System (INIS)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-01-01

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C 4 H 5 O 6 )(C 4 H 4 O 6 )][3H 2 O]. X-ray crystal structure analyses reveal that it crystallizes in the P4 1 2 1 2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  2. Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C{sub 2}H{sub 4}) and D4-Ethylene (C{sub 2}D{sub 4}) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Abplanalp, Matthew J.; Kaiser, Ralf I., E-mail: ralfk@hawaii.edu [W. M. Keck Research Laboratory in Astrochemistry, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)

    2017-02-20

    The processing of the hydrocarbon ice, ethylene (C{sub 2}H{sub 4}/C{sub 2}D{sub 4}), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH{sub 4} (CD{sub 4})], acetylene [C{sub 2}H{sub 2} (C{sub 2}D{sub 2})], the ethyl radical [C{sub 2}H{sub 5} (C{sub 2}D{sub 5})], ethane [C{sub 2}H{sub 6} (C{sub 2}D{sub 6})], 1-butene [C{sub 4}H{sub 8} (C{sub 4}D{sub 8})], and n -butane [C{sub 4}H{sub 10} (C{sub 4}D{sub 10})]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C{sub n}H{sub 2n+2} (n = 4–10), C{sub n}H{sub 2n} ( n = 2–12, 14, 16), C{sub n}H{sub 2n−2} ( n = 3–12, 14, 16), C{sub n}H{sub 2n−4} (n = 4–12, 14, 16), C{sub n}H{sub 2n−6} (n = 4–10, 12), C{sub n}H{sub 2n−8} ( n = 6–10), and C{sub n}H{sub 2n−10} ( n = 6–10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C{sub 3}H{sub 4}) or 1, 3-butadiene (C{sub 4}H{sub 6}) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical

  3. Organotin(IV Derivatives of 2-Acetylpyridine-N(4-Phenylthiosemicarbazone, HAP4P, and 2-Hydroxyacetophenone-N(4-Phenylthiosemicarbazone, H2DAP4P: Crystal and Molecular Structure of [SnMe2(DAP4P] and [SnBu2(DAP4P

    Directory of Open Access Journals (Sweden)

    Sousa Gerimário F. de

    2001-01-01

    Full Text Available The reactions of 2-acetylpyridine-N(4-phenylthiosemicarbazone, HAP4P, and 2-hydroxyacetophenone-N(4-phenylthiosemicarbazone, H2DAP4P, with R4-mSnXm (m = 2, 3; R = Me, nBu, Ph and X = Cl, Br led to the formation of hexa- and penta-coordinated organotin(IV complexes, which were studied by microanalysis, IR, ¹H-NMR and Mössbauer spectroscopies. The molecular structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] were determined by single-crystal X-ray diffraction studies. In the compounds [SnClMe2(AP4P] and [SnBrMe2(AP4P], the deprotonated ligand AP4P- is N,N,S-bonded to the Sn(IV atoms, which exhibit strongly distorted octahedral coordination. The structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] revealed that the DAP4P2- anion acts as a O,N,S-tridentate ligand. In these cases, the Sn(IV atoms adopt a strongly distorted trigonal bipyramidal configuration where the azomethine N and the two C atoms are on the equatorial plane while the O and the S atoms occupy the axial positions.

  4. N-{4-[4-(4-Fluorophenyl-1-(2-methoxyethyl-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide

    Directory of Open Access Journals (Sweden)

    Stefan Laufer

    2009-12-01

    Full Text Available In the crystal structure of the title compound, C28H29FN4O2S, the imidazole ring makes dihedral angles of 11.85 (7, 73.33 (7 and 22.83 (8° with the 4-fluorophenyl, pyridine and phenyl rings, respectively. The 4-fluorophenyl ring makes dihedral angles of 77.91 (7 and 26.93 (8° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47 (9°. The crystal packing shows an intermolecular N—H...O hydrogen-bonding interaction between the N—H and carbonyl groups of the amide functions.

  5. Synthesis, Structure, Bonding, and Reactivity of Metal Complexes Comprising Diborane(4) and Diborene(2): [{Cp*Mo(CO)2 }2 {μ-η22 -B2 H4 }] and [{Cp*M(CO)2 }2 B2 H2 M(CO)4 ], M=Mo,W.

    Science.gov (United States)

    Mondal, Bijan; Bag, Ranjit; Ghorai, Sagar; Bakthavachalam, K; Jemmis, Eluvathingal D; Ghosh, Sundargopal

    2018-04-26

    The reaction of [(Cp*Mo) 2 (μ-Cl) 2 B 2 H 6 ] (1) with CO at room temperature led to the formation of the highly fluxional species [{Cp*Mo(CO) 2 } 2 {μ-η 22 -B 2 H 4 }] (2). Compound 2, to the best of our knowledge, is the first example of a bimetallic diborane(4) conforming to a singly bridged C s structure. Theoretical studies show that 2 mimics the Cotton dimolybdenum-alkyne complex [{CpMo(CO) 2 } 2 C 2 H 2 ]. In an attempt to replace two hydrogen atoms of diborane(4) in 2 with a 2e [W(CO) 4 ] fragment, [{Cp*Mo(CO) 2 } 2 B 2 H 2 W(CO) 4 ] (3) was isolated upon treatment with [W(CO) 5 ⋅thf]. Compound 3 shows the intriguing presence of [B 2 H 2 ] with a short B-B length of 1.624(4) Å. We isolated the tungsten analogues of 3, [{Cp*W(CO) 2 } 2 B 2 H 2 W(CO) 4 ] (4) and [{Cp*W(CO) 2 } 2 B 2 H 2 Mo(CO) 4 ] (5), which provided direct proof of the existence of the tungsten analogue of 2. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Synthesis of flower-like LiMnPO4/C with precipitated NH4MnPO4·H2O as precursor

    International Nuclear Information System (INIS)

    Liu Jiali; Hu Dongge; Huang Tao; Yu Aishui

    2012-01-01

    Highlights: ► Flower-like NH 4 MnPO 4 ·H 2 O is obtained by novel precipitating method. ► It is used as the precursor to synthesize LiMnPO 4 /C. ► Subsequent heat treatment would not destroy the precursor morphology. ► As-prepared LiMnPO 4 /C showed discharge capacity of 85 mAh/g at 0.05 C. - Abstract: Ammonium magnesium phosphate monohydrate (NH 4 MnPO 4 ·H 2 O) precursor was prepared by a novel precipitating process with manganese citrate complexes as intermediate. The morphology of the precursor observed by Scanning Electron Microscope (SEM) was flower-like which was self-assembled by plate-like particles. Further analysis by X-ray diffraction (XRD) revealed that the lattice of the plate crystal was orientated along (0 1 0) plane. By solid-state reaction of the precursor, with lithium acetate and glucose as carbon source, pure olivine structured LiMnPO 4 /C composite was obtained and meanwhile, the original flower-like morphology could be retained.

  7. 1,4-Dihydroxyquinoxaline-2,3(1H,4H-dione

    Directory of Open Access Journals (Sweden)

    Wolfgang Frey

    2008-03-01

    Full Text Available The asymmetric unit of the title compound, C8H6N2O4, contains one half-molecule; a twofold rotation axis bisects the molecule. The quinoxaline ring is planar, which can be attributed to electron delocalization. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into R22(10 motifs, leading to layers, which interact via phenyl–phenyl interactions (C...C distances in the range 3.238–3.521 Å.

  8. Formulation and Characterization of Cr2O3 Doped ZnO Thick Films as H2S Gas Sensor

    Directory of Open Access Journals (Sweden)

    A. V. PATIL

    2009-09-01

    Full Text Available Cr2O3 doped ZnO thick films have been prepared by screen printing technique and firing process. These films were characterized by X-ray diffraction (XRD, Scanning electron microscopy (SEM, and EDX. H2S gas sensing properties of these films were investigated at different operating temperatures and different H2S concentrations. The 7 wt. % Cr2O3 doped ZnO thick films exhibits excellent H2S gas sensing properties with maximum sensitivity of 99.12 % at 300 oC in air atmosphere with fast response and recovery time.

  9. Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.

    Science.gov (United States)

    Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K

    2015-09-18

    The higher propensity of C-N over C-S bond forming ability was demonstrated, through formal C-H functionalization during the construction of 4,5-disubstituted 1,2,4-triazole-3-thiones from arylidenearylthiosemicarbazides catalyzed by Cu(II). However, steric factors imparted by the o-disubstituted substrates tend to change the reaction path giving thiodiazole as the major or an exclusive product. Upon prolonging the reaction time, the in situ generated thiones are transformed to 4,5-disubstituted 1,2,4-triazoles via a desulfurization process. Two classes of heterocycles viz. 4,5-disubstituted 1,2,4-triazole-3-thiones and 4,5-disubstituted 1,2,4-triazoles can be synthesized from arylidenearylthiosemicarbazides by simply adjusting the reaction time. Desulfurization of 1,2,4-triazole-3-thiones is assisted by thiophilic Cu to provide 1,2,4-triazoles with concomitant formation of CuS and polynuclear sulfur anions as confirmed from scanning electron microscope and energy dispersive X-ray spectroscopy measurements. A one-pot synthesis of an antimicrobial compound has been successfully achieved following this strategy.

  10. Cu2ZnSnS4 solar cells fabricated by short-term sulfurization of sputtered Sn/Zn/Cu precursors under an H2S atmosphere

    International Nuclear Information System (INIS)

    Emrani, Amin; Rajbhandari, Pravakar P.; Dhakal, Tara P.; Westgate, Charles R.

    2015-01-01

    Synthesis of Cu 2 ZnSnS 4 (CZTS) thin films by short-term sulfurization of sputtered Sn/Zn/Cu precursors under ambient H 2 S is studied. The effect of the sulfurization processes on the film morphology, surface roughness, composition of the CZTS, and the crystallinity was investigated by using scanning electron microscopy, optical profiler, energy dispersive spectroscopy, and X-ray diffraction respectively. To further explore the CZTS layer, the following additional layers were deposited to complete the solar cells: CdS with chemical bath deposition; ZnO and Al 2 O 3 -doped ZnO with RF magnetron deposition; and, silver fingers as the front contact as the last layer. The optical and morphological properties of the CZTS films were investigated and compared. Subsequently, the electrical characteristics and the efficiencies of the regarding solar cells were analyzed. A maximum efficiency of 3.8% has been obtained for the fast sulfurization (30 min at 580 °C) and finally, the performance is compared with our best cell fabricated through the more common slow annealing. - Highlights: • Development of Cu 2 ZnSnS 4 (CZTS) solar cells using elemental metal sputtering • 112-oriented CZTS films with well-defined morphology obtained • Reported efficiency of 3.8% for a short-term annealing (less than 30 min) under ambient H 2 S • A detailed comparison between the fast and the more common slow annealing is reported

  11. rac-6-Hydroxy-4-(4-nitrophenyl-5-(2-thienylcarbonyl-6-(trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Jian-Li Zhang

    2010-11-01

    Full Text Available The title compound, C16H12F3N3O5S·H2O, was prepared by reaction of 4-nitrobenzaldehyde, 4,4,4-trifluoro-1-(thiophen-2-ylbutane-1,3-dione and urea. The asymmetric unit contains two independent molecules, with essentially identical geometries and conformations. The dihydropyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thiophene ring are 54.82 (8 and 58.72 (8° in the two molecules. The molecular conformation of one of the molecules is stabilized by two intramolecular O—H...O hydrogen bonds, generating an S(6 ring. The crystal structure is stabilized by intermolecular O—H...O and N—H...O hydrogen bonds.

  12. Diaquabis[2,6-bis(4H-1,2,4-triazol-4-ylpyridine-κN2]bis(selenocyanato-κNcobalt(II

    Directory of Open Access Journals (Sweden)

    Yuan-Yuan Liu

    2012-08-01

    Full Text Available In the title compound, [Co(NCSe2(C9H7N72(H2O2], the Co2+ cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligands and two water molecules within a slightly distorted N4O2 octahedron. The asymmetric unit consists of one Co2+ cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to the bc plane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

  13. 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.

  14. SYNTHESIS OF M–Nd DOPED Fe3O4 NANOPARTICLES (M = Co ...

    African Journals Online (AJOL)

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    nanoparticles were spherical shaped with inverse spinel structure. ... To obtain nano sized spinel ferrite particles, various preparation techniques have been ... SEM images of (a) Fe3O4, (b) Fe3O4 doped with Nd3+ and Co2+, (c) Fe3O4 doped with. Nd3+ .... Nayar, S.; Mir, A.; Ashok, A.; Sharma, A. J. Bionic Eng. 2010, 7, 29.

  15. Analysis of (NH4)2SO4/(NH4)H2PO4 mixtures by thermogravimetry and X-ray diffraction

    International Nuclear Information System (INIS)

    Perez, Jose; Perez, Eduardo; Vas, Beatriz del; Garcia, Luis; Serrano, Jose Luis

    2006-01-01

    (NH 4 ) 2 SO 4 and (NH 4 )H 2 PO 4 are the principal components in the powder material used in fire extinguishers. In this paper the mutual influence in their thermal decomposition is investigated by thermogravimetry. Two methods for the quantification of both salts in mixtures (NH 4 ) 2 SO 4 /(NH 4 )H 2 PO 4 are proposed. The first employs thermogravimetry and is based on the measurement of the mass fraction in the 500-550 deg. C interval, once (NH 4 ) 2 SO 4 has totally decomposed to yield gaseous products. The second uses some selected peaks in the X-ray diffractogram

  16. Strongly enhanced current densities in Sr0.6K0.4Fe2As2 + Sn superconducting tapes

    Science.gov (United States)

    Lin, He; Yao, Chao; Zhang, Xianping; Zhang, Haitao; Wang, Dongliang; Zhang, Qianjun; Ma, Yanwei; Awaji, Satoshi; Watanabe, Kazuo

    2014-03-01

    Improving transport current has been the primary topic for practical application of superconducting wires and tapes. However, the porous nature of powder-in-tube (PIT) processed iron-based tapes is one of the important reasons for low critical current density (Jc) values. In this work, the superconducting core density of ex-situ Sr0.6K0.4Fe2As2 + Sn tapes, prepared from optimized precursors, was significantly improved by employing a simple hot pressing as an alternative route for final sintering. The resulting samples exhibited optimal critical temperature (Tc), sharp resistive transition, small resistivity and high Vickers hardness (Hv) value. Consequently, the transport Jc reached excellent values of 5.1 × 104 A/cm2 in 10 T and 4.3 × 104 A/cm2 in 14 T at 4.2 K, respectively. Our tapes also exhibited high upper critical field Hc2 and almost field-independent Jc. These results clearly demonstrate that PIT pnictide wire conductors are very promising for high-field magnet applications.

  17. Band structure of superconducting MgB sub 2 and simulation of triple systems on its base

    CERN Document Server

    Medvedeva, N I; Zubkov, V G; Medvedeva, Y E; Freeman, A J

    2001-01-01

    The zone structure of the new superconductor - magnesium boride is studied through the FP-LMTO self-consistent method. The peculiarities of the MgB sub 2 electron properties are determined by the metal-like 2p-states of the boron atoms in the plane nets, forming the states density distribution near the Fermi level. The analysis of changes in the MgB sub 2 zone structure by: doping the boron sublattice (through the Be, C, N, O replacement admixtures), the magnesium sublattice (through the Be, Ca, Li, Na replacement admixtures) and availability of structural vacancies (nonstoichiometry by boron) is carried out. The MgB sub 2 electron and CaB sub 2 hypothetic structure is studied, depending on pressure

  18. 4-{3-[Hydroxy(phenylmethyl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl}benzenesulfonamide

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2010-04-01

    Full Text Available In the title compound, C15H14N4O3S2, the hydroxy group is disordered over two positions with occupancies of 0.619 (5 and 0.381 (5. The benzene ring attached to the heterocycle makes a dihedral angle of 86.92 (9° with respect to the best plane through the five-membered ring. The crystal packing is stabilized by intermolecular O—H...O, N—H...S, N—H...N, C—H...O and C—H...N hydrogen bonds, and N—H...π and C—H...π interactions.

  19. 4-[(3-Phenyl-4,5-dihydroisoxazol-5-ylmethyl]-2H-benzo[b][1,4]thiazin-3(4H-one

    Directory of Open Access Journals (Sweden)

    Nada Kheira Sebbar

    2016-06-01

    Full Text Available In the title compound, C18H16N2O2S, the 5-dihydroisoxazol-5-yl ring and its phenyl substituent are nearly coplanar, with the largest deviation from the mean plane being 0.0184 (16 Å. The thiomorpholin-3-one ring adopts a screw-boat conformation and the attached benzene ring makes a dihedral angle of 42.26 (7° with the mean plane through the 3-phenyl-4,5-dihydroisoxazol-5-yl ring system. In the crystal, molecules are linked by pairs of C—H...N hydrogen bonds, forming inversion dimers. These dimers are linked via C—H...O hydrogen bonds, generating a three-dimensional network.

  20. Gradient Self-Doped CuBi2O4 with Highly Improved Charge Separation Efficiency.

    Science.gov (United States)

    Wang, Fuxian; Septina, Wilman; Chemseddine, Abdelkrim; Abdi, Fatwa F; Friedrich, Dennis; Bogdanoff, Peter; van de Krol, Roel; Tilley, S David; Berglund, Sean P

    2017-10-25

    A new strategy of using forward gradient self-doping to improve the charge separation efficiency in metal oxide photoelectrodes is proposed. Gradient self-doped CuBi 2 O 4 photocathodes are prepared with forward and reverse gradients in copper vacancies using a two-step, diffusion-assisted spray pyrolysis process. Decreasing the Cu/Bi ratio of the CuBi 2 O 4 photocathodes introduces Cu vacancies that increase the carrier (hole) concentration and lowers the Fermi level, as evidenced by a shift in the flat band toward more positive potentials. Thus, a gradient in Cu vacancies leads to an internal electric field within CuBi 2 O 4 , which can facilitate charge separation. Compared to homogeneous CuBi 2 O 4 photocathodes, CuBi 2 O 4 photocathodes with a forward gradient show highly improved charge separation efficiency and enhanced photoelectrochemical performance for reduction reactions, while CuBi 2 O 4 photocathodes with a reverse gradient show significantly reduced charge separation efficiency and photoelectrochemical performance. The CuBi 2 O 4 photocathodes with a forward gradient produce record AM 1.5 photocurrent densities for CuBi 2 O 4 up to -2.5 mA/cm 2 at 0.6 V vs RHE with H 2 O 2 as an electron scavenger, and they show a charge separation efficiency of 34% for 550 nm light. The gradient self-doping accomplishes this without the introduction of external dopants, and therefore the tetragonal crystal structure and carrier mobility of CuBi 2 O 4 are maintained. Lastly, forward gradient self-doped CuBi 2 O 4 photocathodes are protected with a CdS/TiO 2 heterojunction and coated with Pt as an electrocatalyst. These photocathodes demonstrate photocurrent densities on the order of -1.0 mA/cm 2 at 0.0 V vs RHE and evolve hydrogen with a faradaic efficiency of ∼91%.

  1. Crystal structure of [(2R,3R,4S)-3,4-bis(acet-yloxy)-5-iodo-3,4-di-hydro-2H-pyran-2-yl]methyl acetate.

    Science.gov (United States)

    Zukerman-Schpector, Julio; Caracelli, Ignez; Stefani, Hélio A; Shamim, Anwar; Tiekink, Edward R T

    2015-01-01

    In the title compound, C12H15IO7, the 3,4-di-hydro-2H-pyran ring is in a distorted half-boat conformation with the atom bearing the acet-yloxy group adjacent to the C atom bearing the methyl-acetate group lying 0.633 (6) Å above the plane of the remaining ring atoms (r.m.s. deviation = 0.0907 Å). In the crystal, mol-ecules are linked into a supra-molecular chain along the a axis through two C-H⋯O inter-actions to the same acceptor carbonyl O atom; these chains pack with no specific inter-molecular inter-actions between them.

  2. Comparative study of neutron irradiation and carbon doping in MgB2 single crystals

    International Nuclear Information System (INIS)

    Krutzler, C.; Zehetmayer, M.; Eisterer, M.; Weber, H. W.; Zhigadlo, N. D.; Karpinski, J.

    2007-01-01

    We compare the reversible and irreversible magnetic properties of superconducting carbon doped and undoped MgB 2 single crystals before and after neutron irradiation. A large number of samples with transition temperatures between 38.3 and 22.8 K allows us to study the effects of disorder systematically. Striking similarities are found in the modification of the reversible parameters by irradiation and doping, which are discussed in terms of impurity scattering and changes of the Fermi surface. The irreversible properties are influenced by two counteracting mechanisms: they are enhanced by the newly introduced pinning centers but degraded by changes in the thermodynamic properties. Accordingly, the large neutron induced defects and the small defects from carbon doping lead to significantly different effects on the irreversible properties. Finally, the fishtail effect caused by all kinds of disorder is discussed in terms of an order-disorder transition of the flux-line lattice

  3. Comparative study of the catalytic activity of the complexes Cp*RuCl(PAr3)2 [Ar = -C6H5 and 4-CF3-C6H4] in the ATRP of styrene

    International Nuclear Information System (INIS)

    Villa-Hernandez, Alejandro M.; Rosales-Velazquez, Claudia P.; Torres-Lubian, Jose R.; Saldivar-Guerra, Enrique

    2011-01-01

    Styrene polymerization by ATRP was conducted independently using the complexes Cp * RuCl(PPh 3 ) 2 , and Cp * RuCl[P(4-CF 3 -C 6 H 4 ) 3 ] 2 as catalysts, in order to evaluate the influence of the electronic properties of the phosphine ligands on the rate and control of the polymerization. The kinetic data for polymerizations carried out with Cp * RuCl(PPh 3 ) 2 , show that molecular weights increase linearly with conversion with an average initiation efficiency of 0.77. The molecular weights obtained in the kinetic study with Cp * RuCl[P(4-CF 3 -C 6 H 4 ) 3 ] 2 also increase with conversion but show a marked deviation below the theoretical molecular weights. This behavior was explained by the gradual, irreversible, oxidation of catalyst Cp * RuCl[P(4-CF 3 -C 6 H 4 ) 3 ] 2 as confirmed by 31 P-NMR spectroscopy. Catalyst Cp * RuCl(PPh 3 ) 2 promotes the polymerization with a rate of polymerization higher than that obtained using Cp * RuCl[P(4-CF 3 -C 6 H 4 ) 3 ] 2 ; this is consistent with the better electron donating properties of PPh 3 versus P(4-CF 3 -C 6 H 4 ) 3 . Preliminary studies of styrene polymerization by ATRP in supercritical CO 2 , shows that only catalyst Cp * RuCl[P(4-CF 3 -C 6 H 4 ) 3 ] 2 , with fluorinated ligands, was active. (author)

  4. On the phototransferred thermoluminescence in MgB4O7:Dy

    International Nuclear Information System (INIS)

    Richmond, R.G.

    1987-01-01

    On exposure to ionizing radiations, the normal traps in MgB 4 0 7 :Dy can be emptied by the readout process only or by annealing at suitable temperatures, leaving the deep traps still intact. Subsequently, it is possible to repopulate the dosimetric peak by illuminating with u.v. light. Charge carriers released from the traps during the second readout give rise to a thermoluminescent output proportional to the ionizing radiation exposure and the u.v. radiant energy. This is called phototransferred thermoluminescence (PTTL). The PTTL method can be utilized for the reassessment of the initial γ-ray exposure. This paper presents the measurements of the intrinsic response of the commercially available MgB 4 0 7 :Dy to u.v. radiation, with a demonstration of its use for γ-ray dose re-estimation using the PTTL technique. (author)

  5. Enhanced multiferroic properties in scandium doped Bi2Fe4O9

    International Nuclear Information System (INIS)

    Dutta, Dimple P.; Tyagi, A. K.

    2013-01-01

    Undoped and Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles have been synthesized using sonochemical method. The phase purity of the samples was checked using powder X-rau diffraction technique. EDS analysis was done to confirm the extent of Sc 3+ doping in the samples. The size and morphology of the nanoparticles have been analyzed using transmission electron microscopy (TEM). The Bi 2 Fe 4 O 9 nanoparticles show a weak ferromagnetic behavior at room temperature, which is quite different from the linear M–H relationship reported for bulk Bi 2 Fe 4 O 9 . This is mainly attributed to the uncompensated moments at the disordered particle surface resulting from the reduced coordination of the surface spins, arising due to lattice strain or oxygen deficiency. Addition of Sc 3+ dopant in varying concentrations in these Bi 2 Fe 4 O 9 nanoparticles, improves their magnetic as well as ferroelectric properties. The leakage current is considerably reduced and electric polarization increases significantly in case of Bi 2 Fe 4(1-x) Sc x O 9 (x = 0.1) nanoparticles. Hence it can be inferred that Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles shows promise as good multiferroic materials.

  6. Complexation in the system K2SeO4-UO2SeO4-H2O

    International Nuclear Information System (INIS)

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

    1994-01-01

    Complexation in the system K 2 SeO 4 -UO 2 SeO 4 -H 2 O at 25 degrees C is studied by isothermal solubility. Congruently soluble K 2 UO 2 (SeO 4 ) 2 ·4H 2 O (I) and incongruently soluble K 2 (UO 2 ) 2 (SeO 4 ) 3 ·6H 2 O (II) are observed. The unit-cell constants of I and II are determined from an X-ray diffraction investigation. For I, a = 12,969, b = 11.588, c = 8.533 angstrom, Z = 4, space group Pmmb. For II, a = 23.36, b = 6.784, c = 13.699 angstrom, β = 104.42 degrees, Z = 4, space group P2/m, P2, or Pm. Complexes I and II are representatives of the crystal-chemical groups AB 2 2 M 1 and A 2 T 3 3 M 1 , respectively, of uranyl complexes

  7. Sugar as an optimal carbon source for the enhanced performance of MgB2 superconductors at high magnetic fields

    Science.gov (United States)

    Shcherbakova, O. V.; Pan, A. V.; Wang, J. L.; Shcherbakov, A. V.; Dou, S. X.; Wexler, D.; Babić, E.; Jerčinović, M.; Husnjak, O.

    2008-01-01

    In this paper we report the results of an extended study of the effect of sugar doping on the structural and electromagnetic properties of MgB2 superconductors. High values of the upper critical field (Bc2) of 36 T and the irreversibility field (Birr) of 27 T have been estimated at the temperature of 5 K in a bulk MgB2 sample with the addition of 10 wt% of sugar. The critical current density (Jc(Ba)) of sugar-doped samples has been significantly improved in the high field region. The value of transport Jc has reached as high as 108 A m-2 at 10 T and 5 K for Fe-sheathed sugar-doped MgB2 wire. The analysis of the pinning mechanism in the samples investigated indicated that dominant vortex pinning occurs on the surface type of pinning defects, such as grain boundaries, dislocations, stacking faults etc, for both pure and doped MgB2. In sugar-doped samples, pinning is governed by numerous crystal lattice defects, which appear in MgB2 grains as a result of crystal lattice distortion caused by carbon substitution for boron and nano-inclusions. The drastically improved superconducting properties of sugar-doped samples are also attributed to the highly homogeneous distribution and enhanced reactivity of this dopant with host Mg and B powders. The results of this work suggest that sugar is the optimal source of carbon for doping MgB2 superconductor, especially for application at high magnetic fields.

  8. First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

    KAUST Repository

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

    2014-01-01

    Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

  9. First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

    KAUST Repository

    Feng, Nan

    2014-02-05

    Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

  10. Synthesis, Crystal Structure, DFT Study and Antifungal Activity of 4-(5-((4-Bromobenzyl thio-4-Phenyl-4H-1,2,4-Triazol-3-ylpyridine

    Directory of Open Access Journals (Sweden)

    Jin-Xia Mu

    2015-12-01

    Full Text Available The title compound 4-(5-((4-bromobenzylthio-4-phenyl-4H-1,2,4-triazol-3-ylpyridine (C20H15BrN4S was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and single-crystal X-ray structure determination. It crystallizes in the triclinic space group P-1 with a = 7.717(3, b = 9.210(3, c = 13.370(5 Å, α = 80.347(13, β = 77.471(13, γ = 89.899(16°, V = 913.9(6 Å3, Z = 2 and R = 0.0260 for 3145 observed reflections with I > 2σ(I. A Density functional theory (DFT (B3LYP/6-31G calculation of the title molecule was carried out. The full geometry optimization was carried out using a 6-31G basis set, and the frontier orbital energy. Atomic net charges are discussed. Calculated bond lengths and bond angles were found to differ from experimental values, and the compound exhibits moderate antifungal activity.

  11. Zinc terephthalates ZnC_8H_4O_4 as anodes for lithium ion batteries

    International Nuclear Information System (INIS)

    Wang, Liping; Zou, Jian; Chen, Shulin; Yang, Jingyi; Qing, Fangzhu; Gao, Peng; Li, Jingze

    2017-01-01

    Graphical abstract: Both of well-crystalline and amorphous zinc terephthalates ZnC_8H_4O_4 are synthesized and amorphous structure demonstrates a higher capacity and better cycling performance. - Highlights: • Crystalline and amorphous ZnC_8H_4O_4 are obtained. • Both crystalline and amorphous ZnC_8H_4O_4 have σ_e of 10"−"7 S m"−"1. • Lithium ion diffusion is the rate-determine process. • Amorphous has a high capacity and durable performance. • Amorphous ZnC_8H_4O_4 has a high apparent lithium ion diffusion coefficient. - Abstract: Organic materials offer the advantages of cost-effective, environmental benignity, and molecular structural diversity as applications of electrode materials for lithium ion batteries. In fact, their lithium storage behaviors in terms of dynamics and kinetics intrinsically lie in ion migration in solids. Thus the solid forms including crystalline and amorphous states are crucial for the properties. In this study, a conventional carbonyl type organic material, namely zinc terephthalate (ZnC_8H_4O_4), is obtained in both well-crystalline and amorphous forms and applied as anodes for lithium ion batteries. ZnC_8H_4O_4 with amorphous structure shows higher lithium storage capacity and better capacity retention compared with that of crystalline one. It is ascribed that the amorphous phase provides a higher lithium ion diffusion coefficient than the crystalline one under the conditions of similar electronic conductivity.

  12. Oxothiomolybdenum derivatives of the superlacunary crown heteropolyanion {P8W48}: structure of [K4{Mo4O4S4(H2O)3(OH)2}2(WO2)(P8W48O184)]30– and studies in solution.

    Science.gov (United States)

    Korenev, Vladimir S; Floquet, Sébastien; Marrot, Jérôme; Haouas, Mohamed; Mbomekallé, Israël-Martyr; Taulelle, Francis; Sokolov, Maxim N; Fedin, Vladimir P; Cadot, Emmanuel

    2012-02-20

    Reaction of the cyclic lacunary [H(7)P(8)W(48)O(184)](33-) anion (noted P(8)W(48)) with the [Mo(2)S(2)O(2)(H(2)O)(6)](2+) oxothiocation led to two compounds, namely, [K(4){Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2)(WO(2))(P(8)W(48)O(184))](30-) (denoted 1) and [{Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2)(P(8)W(48)O(184))](36-) (denoted 2), which were characterized in the solid state and solution. In the solid state, the structure of [K(4){Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2)(WO(2))(P(8)W(48)O(184))](30-) reveals the presence of two disordered {Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2+) "handles" connected on both sides of the P(8)W(48) ring. Such a disorder is consistent with the presence of two geometrical isomers where the relative disposition of the two {Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2+) handles are arranged in a perpendicular or parallel mode. Such an interpretation is fully supported by (31)P and (183)W NMR solution studies. The relative stability of both geometrical isomers appears to be dependent upon the nature of the internal alkali cations, i.e., Na(+) vs K(+), and increased lability of the two {Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2+) handles, compared to the oxo analogous, was clearly identified by significant broadening of the (31)P and (183)W NMR lines. Solution studies carried out by UV-vis spectroscopy showed that formation of the adduct [{Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2)(P(8)W(48)O(184))](36-) occurs in the 1.5-4.7 pH range and corresponds to a fast and quantitative condensation process. Furthermore, (31)P NMR titrations in solution reveal formation of the "monohandle" derivative [{Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(P(8)W(48)O(184))](38-) as an intermediate prior to formation of the "bishandle" derivatives. Furthermore, the electrochemical behavior of [{Mo(4)O(4)S(4)(H(2)O)(3)(OH)(2)}(2)(P(8)W(48)O(184))](36-) was studied in aqueous medium and compared with the parent anion P(8)W(48).

  13. 1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H-one

    Directory of Open Access Journals (Sweden)

    Giuseppe Daidone

    2008-05-01

    Full Text Available The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-ylbenzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2 Å for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1°. The packing is stabilized by C—H...N hydrogen-bond interactions, with the formation of molecular chains along the c axis.

  14. Bulk Kosterlitz-Thouless Type Molecular Superconductor β″-(BEDT-TTF)2[(H2O)(NH4)2Cr(C2O4)3]·18-crown-6.

    Science.gov (United States)

    Martin, Lee; Lopez, Jordan R; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku

    2017-11-20

    A new molecular superconductor, β″-(BEDT-TTF) 2 [(H 2 O)(NH 4 ) 2 Cr(C 2 O 4 ) 3 ]·18-crown-6, has been synthesized from the organic donor molecule BEDT-TTF with the anion Cr(C 2 O 4 ) 3 3- . The crystal structure consists of conducting organic layers of BEDT-TTF molecules which adopt the β″ packing motif (layer A), layers of NH 4 + and Λ-Cr(C 2 O 4 ) 3 3- (layer B), layers of (H 2 O)(NH 4 )18-crown-6 (layer C), and layers of NH 4 + and Δ-Cr(C 2 O 4 ) 3 3- (layer D) which produce a superstructure with a repeating pattern of ABCDABCDA. As a result of this packing arrangement, this is the 2D superconductor with the widest gap between conducting layers where only a single donor packing motif is present (β″). Superconducting critical temperatures at ambient pressure observed by electrical transport and magnetic measurements are 4.0-4.9 and 2.5 K, respectively. The strong 2D nature of this system, the broad transition to T zero at 1.8K, and the transition of α of V ∝ I α from 1 to 3 on I-V curves strongly suggest that the superconducting transition is very close to a Kosterlitz-Thouless transition. The magnetic field dependence of the superconducting critical temperature parallel to the conducting plane gives an upper critical field μ 0 H c2∥ > 8 T, which is over the calculated Pauli-Clogston limit for this material.

  15. Upper limits to the reaction rate coefficients of C(n)(-) and C(n)H(-) (n = 2, 4, 6) with molecular hydrogen.

    Science.gov (United States)

    Endres, Eric S; Lakhmanskaya, Olga; Hauser, Daniel; Huber, Stefan E; Best, Thorsten; Kumar, Sunil S; Probst, Michael; Wester, Roland

    2014-08-21

    In the interstellar medium (ISM) ion–molecule reactions play a key role in forming complex molecules. Since 2006, after the radioastronomical discovery of the first of by now six interstellar anions, interest has grown in understanding the formation and destruction pathways of negative ions in the ISM. Experiments have focused on reactions and photodetachment of the identified negatively charged ions. Hints were found that the reactions of CnH(–) with H2 may proceed with a low (rate [Eichelberger, B.; et al. Astrophys. J. 2007, 667, 1283]. Because of the high abundance of molecular hydrogen in the ISM, a precise knowledge of the reaction rate is needed for a better understanding of the low-temperature chemistry in the ISM. A suitable tool to analyze rare reactions is the 22-pole radiofrequency ion trap. Here, we report on reaction rates for Cn(–) and CnH(–) (n = 2, 4, 6) with buffer gas temperatures of H2 at 12 and 300 K. Our experiments show the absence of these reactions with an upper limit to the rate coefficients between 4 × 10(–16) and 5 × 10(–15) cm(3) s(–1), except for the case of C2(–), which does react with a finite rate with H2 at low temperatures. For the cases of C2H(–) and C4H(–), the experimental results were confirmed with quantum chemical calculations. In addition, the possible influence of a residual reactivity on the abundance of C4H(–) and C6H(–) in the ISM were estimated on the basis of a gas-phase chemical model based on the KIDA database. We found that the simulated ion abundances are already unaffected if reaction rate coefficients with H2 were below 10(–14) cm(3) s(–1).

  16. 1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H-one–4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] (1/1

    Directory of Open Access Journals (Sweden)

    Krzysztof Lyczko

    2013-01-01

    Full Text Available The asymmetric unit of the title compound, C11H12N2C25H28N4O2, contains two different molecules. The smaller is known as antipyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] and the larger is built up from two antypirine molecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one]. Intramolecular C—H...O hydrogen bonds occur in the latter molecule. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001.

  17. Effect of sheath material on critical current characteristics of MgB2 at high temperatures

    International Nuclear Information System (INIS)

    Kiuchi, M.; Yamauchi, K.; Kurokawa, T.; Otabe, E.S.; Matsushita, T.; Okada, M.; Tanaka, K.; Kumakura, H.; Kitaguchi, H.

    2004-01-01

    Critical current density and irreversibility field were measured at various temperatures and magnetic fields for MgB 2 PIT tape specimens with different sheaths materials. The experimental results were compared with theoretical estimations using the flux creep-flow model. It is found that the hardness of sheath material indirectly affects the pinning property only through the packing density of MgB 2 . It is considered that the critical current density is mainly determined by a low value of distributed local critical current density determined by grain connectivity. On the other hand, the irreversibility field which is approximately the same among the three tapes is mainly determined by the average pinning strength

  18. 9-Furfurylidene-2,3-dimethyl-6,7,8,9-tetrahydro-4H-thieno[2′,3′:4,5]pyrimidino[1,2-a]pyridin-4-one

    Directory of Open Access Journals (Sweden)

    Khusnutdin M. Shakhidoyatov

    2010-03-01

    Full Text Available The title compound, C17H16N2O2S, was obtained by condensation of 2,3-dimethylthieno[2′,3′:4,5]pyrimidino[1,2-a]pyridin-4-one with furfural in the presence of sodium hydroxide. One of the methylene groups of the tetrahydropyrido ring is disordered over two positions in a 0.87 (1:0.13 (1 ratio. The thieno[2,3-d]pyrimidin-4-one unit and the furan ring are both planar (r.m.s. deviation = 0.535 Å, and coplanar with each other, forming a dihedral angle of 5.4 (1°. Four weak intermolecular hydrogen bonds (C—H...O and C—H...N are observed in the structure, which join molecules into a network parallel to (101.

  19. Ethyl (E)-2-(2,7-dimethyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-ylidene)acetate

    OpenAIRE

    Oulemda Bassou; Hakima Chicha; Latifa Bouissane; El Mostapha Rakib; Mohamed Saadi; Lahcen El Ammari

    2017-01-01

    In the title compound, C14H14O5, the two heterocyclic rings are coplanar (r.m.s. deviation = 0.008 Å), with the largest deviation from the mean plane being 0.012 (1) Å. The mean plane through the acetate group is inclined slightly with respect to the oxopyrano[4,3-b]pyran-4-yl system, as indicated by the dihedral angle of 1.70 (7)° between them. Two intramolecular hydrogen bonds, completing S(6) ring motifs, are observed in the molecule. In the crystal, molecules are linked by weak C—H...O hy...

  20. Synthesis and characterization of BaAl{sub 2}O{sub 4}:Eu{sup 2+} co-doped with different rare earth ions

    Energy Technology Data Exchange (ETDEWEB)

    Lephoto, M.A. [Department of Physics, University of the Free State, Private bag X 13, Phuthaditjaba 9866, P.O. Box 339, Bloemfontein, ZA 9300 (South Africa); Ntwaeaborwa, O.M., E-mail: ntwaeab@ufs.ac.za [Department of Physics, University of the Free State, Private bag X 13, Phuthaditjaba 9866, P.O. Box 339, Bloemfontein, ZA 9300 (South Africa); Pitale, Shreyas S.; Swart, H.C. [Department of Physics, University of the Free State, Private bag X 13, Phuthaditjaba 9866, P.O. Box 339, Bloemfontein, ZA 9300 (South Africa); Botha, J.R. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth, ZA 6031 (South Africa); Mothudi, B.M. [Department of Physics, University of South Africa, P.O Box 392, Pretoria, ZA 6031 (South Africa)

    2012-05-15

    Combustion method was used in this study to prepare BaAl{sub 2}O{sub 4}:Eu{sup 2+} phosphors co-doped with different trivalent rare-earths (Re{sup 3+}=Dy{sup 3+}, Nd{sup 3+}, Gd{sup 3+}, Sm{sup 3+}, Ce{sup 3+}, Er{sup 3+}, Pr{sup 3+} and Tb{sup 3+}) ions at an initiating temperature of 600 Degree-Sign C. The phosphors were annealed at 1000 Degree-Sign C for 3 h. As confirmed from the X-ray diffraction (XRD) data, both as prepared and post annealed samples crystallized in the well known hexagonal structure of BaAl{sub 2}O{sub 4}. All samples exhibited bluish-green emission associated with the 4f{sup 6}5d{sup 1}{yields}4f{sup 7} transitions of Eu{sup 2+} at {approx}500 nm. Although the highest intensity was observed from Er{sup 3+} co-doping, the longest afterglow (due to trapping and detrapping of charge carriers) was observed from Nd{sup 3+} followed by Dy{sup 3+} co-doping. The traps responsible for the long afterglow were studied using thermoluminescence (TL) spectroscopy.

  1. tert-Butyl 3-(8-bromo-4H,10H-1,2-oxazolo[4,3-c][1]benzoxepin-10-yl-2-methyl-1H-indole-1-carboxylate

    Directory of Open Access Journals (Sweden)

    Ankur Trigunait

    2010-08-01

    Full Text Available In the title compound, C25H23BrN2O4, the seven-membered ring adopts a twisted-boat conformation. The indole ring system is planar within 0.021 (2 Å and the ester group [–C(=O—O—C–] is almost coplanar with it [dihedral angle = 3.0 (2°]. The conformation of the ester group is influenced by intramolecular C—H...O interactions. In the crystal structure, molecules are linked into chains along the b axis by C—H...N hydrogen bonds.

  2. A novel layered bimetallic phosphite intercalating with organic amines: Synthesis and characterization of Co(H2O)4Zn4(HPO3)6.C2N2H1

    International Nuclear Information System (INIS)

    Lin Zhien; Fan Wei; Gao Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya

    2006-01-01

    A new layered cobalt-zinc phosphite, Co(H 2 O) 4 Zn 4 (HPO 3 ) 6 .C 2 N 2 H 1 has been synthesized in the presence of ethylenediamine as the structure-directing agent. The compound crystallizes in the monoclinic system, space group Cc (No. 9), a=18.2090(8), b=9.9264(7), c=15.4080(7) A, β=114.098(4) o , V=2542.3(2) A 3 , Z=4, R=0.0323, wR=0.0846. The structure consists of ZnO 4 tetrahedra, CoO 6 octahedra and HPO 3 pseudopyramids through their vertices forming bimetallic phosphite layers parallel to the ab plane. Organic cations, which reside between the inorganic layers, are mobile and can be exchanged by NH 4 + cations without the collapse of the framework

  3. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

    Science.gov (United States)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-04-01

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C4H5O6)(C4H4O6)][3H2O]. X-ray crystal structure analyses reveal that it crystallizes in the P41212 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau- Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  4. Reactions of 11C recoil atoms in the systems H2O-NH3, H2O-CH4 and NH3-CH4

    International Nuclear Information System (INIS)

    Nebeling, B.

    1988-11-01

    In this study the chemical reactions of recoil carbon 11 in the binary gas mixtures H 2 O-NH 3 , H 2 O-CH 4 and NH 3 -CH 4 in different mixing ratios as well as in solid H 2 O and in a solid H 2 O-NH 3 mixture were analyzed in dependence of the dose. The analyses were to serve e.g. the simulation of chemical processes caused by solar wind, solar radiation and cosmic radiation in the coma and core of comets. They were to give further information about the role of the most important biogeneous element carbon, i.e. carbon, in the chemical evolution of the solar system. Besides the actual high energy processes resulting in the so-called primary products, also the radiation-chemical changes of the primary products were also observed in a wide range of dosing. The generation of the energetic 11 C atoms took place according to the target composition by the nuclear reactions 14 N(p,α) 11 C, 12 C( 3 He,α) 11 C or the 16 O(p,αpn) 11 C reaction. The identification of the products marked with 11 C was carried out by means of radio gas chromatography or radio liquid chromatography (HPLC). (orig./RB) [de

  5. Photodissociation of C3H5Br and C4H7Br at 234 nm

    International Nuclear Information System (INIS)

    Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu; Lee, Kyoung Seok

    2012-01-01

    The photodissociation dynamics of cyclopropyl bromide (C-3H 5 Br) and cyclobutyl bromide (C 4 H 7 Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br( 2 P 3/2 ) and Br*( 2 P 1/2 ) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C 3 H 5 Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C 4 H 7 Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C 3 H 5 Br and C 4 H 7 Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed

  6. Investigations on the synthesis and pharmacological properties of 4-alkoxy-2-[2-hydroxy-3-(4-aryl-1-piperazinyl)propyl]-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones.

    Science.gov (United States)

    Sladowska, Helena; Filipek, Barbara; Szkatuła, Dominika; Sabiniarz, Aleksandra; Kardasz, Małgorzata; Potoczek, Joanna; Sieklucka-Dziuba, Maria; Rajtar, Grazyna; Kleinrok, Zdzisław; Lis, Tadeusz

    2002-11-01

    Synthesis of 2-[2-hydroxy-3-(4-aryl-1-piperazinyl)propyl] derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones (8-12) is described. The chlorides used in the above synthesis can exist in two isomeric forms: chain (18-20) and cyclic (19a, 20a). The compounds 8-12 exhibited potent analgesic activity which was superior than that of acetylsalicylic acid in two different tests. Most of the investigated imides suppressed significantly spontaneous locomotor activity in mice.

  7. Theoretical study of EPR spectra in Cu2+ - and Mn2+ - doped CaCd(CH3COO)4.6H2O

    International Nuclear Information System (INIS)

    Zhou Yiyang; Zhao Minguang

    1987-08-01

    The EPR spectra of CaCd(CH 3 COO) 4 .6H 2 O doped with Cu 2+ and Mn 2+ have been studied theoretically. A comparison between the calculated results and the experimental data shows quantitatively that the Cu 2+ and Mn 2+ ions substitute for the Cd 2+ and Ca 2+ ions, respectively. This conclusion is consistent with the qualitative assumption given by previous authors. (author). 36 refs, 1 fig., 3 tabs

  8. Synthesis and photoluminescence of Eu3+ and Mn2+ doped double phosphates KMLa(PO4)2 (M = Zn, Mg)

    International Nuclear Information System (INIS)

    Pan Yuexiao; Zhang Qinyuan; Jiang Zhonghong

    2006-01-01

    Two compounds, KMgLa(PO 4 ) 2 and KZnLa(PO 4 ) 2 doped with Eu 3+ and Mn 2+ ions, have been synthesized by a conventional solid-state method at 850 deg. C. Structures of KMgLa(PO 4 ) 2 and KZnLa(PO 4 ) 2 have been investigated and confirmed by X-ray diffraction and photoluminescence spectra. The results indicate that the compounds have remained the monoclinic structure of LaPO 4 with space group of C s when (K + , Mg 2+ ) or (K + , Zn 2+ ) could substitute half of the La 3+ ions. Under an ultraviolet source, KMgLa(PO 4 ) 2 :Mn 2+ has shown a bright red phosphorescent color, while KZnLa(PO 4 ) 2 :Mn 2+ has shown an orange-red emission which is assigned to the electronic transition of 4 T 1 ( 4 G)- 6 A 1 ( 6 S) of Mn 2+ in strong crystal field

  9. Effect of phosphorus doping on electronic structure and photocatalytic performance of g-C{sub 3}N{sub 4}: Insights from hybrid density functional calculation

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jianjun, E-mail: jjliu@chnu.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); School of Physics and Electronic Information, Huaibei Normal University, Huaibei, Anhui 235000 (China)

    2016-07-05

    Graphitic carbon nitride (g-C{sub 3}N{sub 4}), as a promising visible-light photocatalyst, has wide applications on water splitting, pollutants decomposition and CO{sub 2} reduction. Herein, we investigated the electronic and optical property of pure and P doped g-C{sub 3}N{sub 4} using Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional method. The valuable features such as, the band structure, density of states, band decomposed charged density and optical absorption were computed to explore the role of phosphorus substitute N2 and C1 sites of g-C{sub 3}N{sub 4}.The results indicated that pure g-C{sub 3}N{sub 4} has an indirect band gap of about 2.73 eV, which is in good agreement with the experimental value. By doping P into N2 and C1 sites of g-C{sub 3}N{sub 4}, the band gap reduces to 2.03 and 2.22 eV, respectively. Optical absorption intensity of g-C{sub 3}N{sub 4} had a greatly enhancement in the visible region by doping P. Though narrowing the energy band of g-C{sub 3}N{sub 4} by doping P, conduction band and valance band edge of g-C{sub 3}N{sub 4} doping system still had enough potential to split water. Therefore, phosphorus doped g-C{sub 3}N{sub 4} is effective strategy to improve visible light response photocatalytic performance of g-C{sub 3}N{sub 4}. - Highlights: • For the first time, calculated band structure of P doped g-C{sub 3N}4 by Hybrid DFT method. • P doped g-C{sub 3N}4 narrowed band gap and enhanced optical absorption. • P doped g-C3{sub N4} enhanced the oxidation capacity of the valence band edge.

  10. Effect of annealing on luminescence of Eu{sup 3+}- and Sm{sup 3+}-doped Mg{sub 2}TiO{sub 4} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Medić, Mina; Antić, Željka; Đorđević, Vesna [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia); Ahrenkiel, Phillip S. [South Dakota School of Mines & Technology, Rapid City, SD (United States); Marinović-Cincović, Milena [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia); Dramićanin, Miroslav D., E-mail: dramican@vinca.rs [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade (Serbia)

    2016-02-15

    This work explores the influence of annealing temperature on the structure and luminescence of 2 at% Eu{sup 3+} and 1 at% Sm{sup 3+}-doped Mg{sub 2}TiO{sub 4} nanopowders produced via Pechini-type polymerized complex route. Mg{sub 2}TiO{sub 4} samples were annealed at 7 different temperatures (400 °C, 450 °C, 500 °C, 550 °C, 600 °C, 650 °C and 700 °C) to determine the temperature range in which cubic inverse spinel structure is stable and to follow the changes of material luminescence properties. X-ray diffraction revealed that crystallization of both Eu{sup 3+} and Sm{sup 3+}-doped Mg{sub 2}TiO{sub 4} nanopowders starts at 400 °C, and that Sm{sup 3+} doped Mg{sub 2}TiO{sub 4} starts to decompose at 650 °C, while Eu{sup 3+} doped Mg{sub 2}TiO{sub 4} starts to decompose at 700 °C. Samples annealed at higher temperatures show higher crystallinity and larger crystallite size. Mg{sub 2}TiO{sub 4} powder annealed at 600 °C is composed of ~5 nm size nanoparticles agglomerated in micron-size and dense chunks. The emission spectra of nanoparticles are composed of emissions from defects in Mg{sub 2}TiO{sub 4} host and characteristic emissions of Eu{sup 3+} ({sup 5}D{sub 0}→{sup 7}F{sub J}) and Sm{sup 3+} ({sup 4}G{sub 5/2}→{sup 6}H{sub J}) ions. The stronger emission and longer emission decays are observed with samples annealed at high temperatures. In the case of the Eu{sup 3+} ions emission intensity increased one order of magnitude between samples annealed at 400 °C and 650 °C. - Highlights: • Mg{sub 2}TiO{sub 4} nanoparticles of 5–10 nm in size are prepared by polymerized complex route. • Emission spectra and decays of Eu{sup 3+} and Sm{sup 3+} doped Mg{sub 2}TiO{sub 4} nanoparticles are shown. • Eu{sup 3+}(Sm{sup 3+}) doped Mg{sub 2}TiO{sub 4} can be annealed at temperatures <700 °C (650 °C). • Emission intensity of nanoparticles increases with increase of annealing temperature.

  11. Tuning the work function of monolayer graphene on 4H-SiC (0001) with nitric acid

    International Nuclear Information System (INIS)

    Günes, Fethullah; Arezki, Hakim; Alamarguy, David; Alvarez, José; Kleider, Jean-Paul; Boutchich, Mohamed; Pierucci, Debora; Ouerghi, Abdelkarim; Dappe, Yannick J

    2015-01-01

    Chemical doping of graphene is a key process for the modulation of its electronic properties and the design and fabrication of graphene-based nanoelectronic devices. Here, we study the adsorption of diluted concentrations of nitric acid (HNO_3) onto monolayer graphene/4H-SiC (0001) to induce a variation of the graphene work function (WF). Raman spectroscopy indicates an increase in the defect density subsequent to the doping. Moreover, ultraviolet photoemission spectroscopy (UPS) was utilized to quantify the WF shift. UPS data show that the WF of the graphene layer decreased from 4.3 eV (pristine) down to 3.8 eV (30% HNO_3) and then increased to 4.4 eV at 100% HNO_3 concentration. These observations were confirmed using density functional theory (DFT) calculations. This straightforward process allows a large WF modulation, rendering the molecularly modified graphene/4H-SiC(0001) a highly suitable electron or hole injection electrode. (paper)

  12. Poly(3,3-dibenzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine/Platinum Composite Films as Potential Counter Electrodes for Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Jung-Chuan Chou

    2017-07-01

    Full Text Available In this study, poly(3,3-dibenzyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine/platinum composite films (PProDOT-Bz2/Pt were used as counter electrodes (CEs in dye-sensitized solar cells (DSSCs. The composite films were prepared on fluorine-doped tin oxide (FTO glass by radio frequency (RF sputtering to deposit platinum (Pt for 30 s. Afterwards, PProDOT-Bz2 was deposited on the Pt–FTO glass via electrochemical polymerization. The electron transfer process of DSSCs was investigated using electrochemical impedance spectroscopy (EIS and cyclic voltammetry (CV. The DSSCs with 0.05 C/cm2 PProDOT-Bz2-Pt composite films showed an open circuit voltage (Voc of 0.70 V, a short-circuit current density (Jsc of 7.27 mA/cm2, and a fill factor (F.F. of 68.74%. This corresponded to a photovoltaic conversion efficiency (η of 3.50% under a light intensity of 100 mW/cm2.

  13. O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level

    Czech Academy of Sciences Publication Activity Database

    West, A. C.; Kretchmer, J. S.; Sellner, B.; Park, K.; Hase, W. L.; Lischka, Hans; Windus, T. L.

    2009-01-01

    Roč. 113, č. 45 (2009), s. 12663-12674 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z40550506 Keywords : hydrogen combustion * multireference methods * O(3P)+C2H4 reaction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.899, year: 2009

  14. Quantum-Chemical ab initio Calculations on the Three Isomers of Diborabenzene (C4H4B2)

    Science.gov (United States)

    Singh, Jaswinder; Wang, Yuekui; Raabe, Gerhard

    2010-01-01

    Quantum-chemical ab initio calculations up to the ZPE+CCSD(T)/aug-cc-pVTZ//MP2/6- 311++G** level were performed on three possible structural isomers of diborabenzene (C4H4B2). All three molecules were found to be local minima on the C4H4B2 energy surface and to have closed shell singlet ground states. While the ground states of the 1,3- and 1,4-isomer are planar and of C2v and D2h symmetry, respectively, 1,2-diborabenzene is non-planar with a C2 axis passing through the center of the BB bond and the middle of the opposite carbon-carbon bond as the only symmetry element. The energetically most favourable 1,3-diborabenzene was found to be about 19 and 36 kcal/mol lower in energy than the 1,2- and the 1,4-isomer. Planar 1,3- and 1,4-diborabenzene have three doubly occupied π orbitals while non-planar 1,2-diborabenzene has also three doubly occupied orbitals which can be derived from the π orbitals of its 3.7 kcal/mol energetically less favourable planar form ("π-like" orbitals). The lowest unoccupied orbitals of all three isomers have σ symmetry with large coefficients at the two boron atoms. These orbitals are lower in energy than the lowest unoccupied molecular orbitals (LUMOs) of e. g. benzene and pyridine and might cause pronounced acceptor properties which could be one of the reasons for the elusiveness of the title compounds. The results of bond separation reactions show that cyclic conjugation stabilizes all three diborabenzenes relative to their isolated fragments. The most effective stabilization energy of about 24 kcal/mol was found for the energetically lowest 1,3-isomer. This value amounts to approximately one third of the experimental value for the bond separation energy of pyridine. In all cases the energetically lowest triplet states are significantly (16 - 24 kcal/mol) higher in energy than the singlet ground states. Also among the triplets the 1,3-isomer is the energetically most fabourable species.

  15. Fabrication and Enhanced Photoelectrochemical Performance of MoS₂/S-Doped g-C₃N₄ Heterojunction Film.

    Science.gov (United States)

    Ye, Lijuan; Wang, Dan; Chen, Shijian

    2016-03-02

    We report on a novel MoS2/S-doped g-C3N4 heterojunction film with high visible-light photoelectrochemical (PEC) performance. The heterojunction films are prepared by CVD growth of S-doped g-C3N4 film on indium-tin oxide (ITO) glass substrates, with subsequent deposition of a low bandgap, 1.69 eV, visible-light response MoS2 layer by hydrothermal synthesis. Adding thiourea into melamine as the coprecursor not only facilitates the growth of g-C3N4 films but also introduces S dopants into the films, which significantly improves the PEC performance. The fabricated MoS2/S-doped g-C3N4 heterojunction film offers an enhanced anodic photocurrent of as high as ∼1.2 × 10(-4) A/cm(2) at an applied potential of +0.5 V vs Ag/AgCl under the visible light irradiation. The enhanced PEC performance of MoS2/S-doped g-C3N4 film is believed due to the improved light absorption and the efficient charge separation of the photogenerated charge at the MoS2/S-doped g-C3N4 interface. The convenient preparation of carbon nitride based heterojunction films in this work can be widely used to design new heterojunction photoelectrodes or photocatalysts with high performance for H2 evolution.

  16. Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: a versatile "PSi2Hx" pincer-type ligand at ruthenium.

    Science.gov (United States)

    Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Cuevas-Chávez, Cynthia A; Vendier, Laure; Grellier, Mary; Sabo-Etienne, Sylviane

    2013-09-03

    The synthesis of the new phosphinodi(benzylsilane) compound PhP{(o-C6H4CH2)SiMe2H}2 (1) is achieved in a one-pot reaction from the corresponding phenylbis(o-tolylphosphine). Compound 1 acts as a pincer-type ligand capable of adopting different coordination modes at Ru through different extents of Si-H bond activation as demonstrated by a combination of X-ray diffraction analysis, density functional theory calculations, and multinuclear NMR spectroscopy. Reaction of 1 with RuH2(H2)2(PCy3)2 (2) yields quantitatively [RuH2{[η(2)-(HSiMe2)-CH2-o-C6H4]2PPh}(PCy3)] (3), a complex stabilized by two rare high order ε-agostic Si-H bonds and involved in terminal hydride/η(2)-Si-H exchange processes. A small free energy of reaction (ΔrG298 = +16.9 kJ mol(-1)) was computed for dihydrogen loss from 3 with concomitant formation of the 16-electron species [RuH{[η(2)-(HSiMe2)-CH2-o-C6H4]PPh[CH2-o-C6H4SiMe2]}(PCy3)] (4). Complex 4 features an unprecedented (29)Si NMR decoalescence process. The dehydrogenation process is fully reversible under standard conditions (1 bar, 298 K).

  17. Poly[bis[μ-4-(4-carboxyphenoxybenzoato](μ-4,4′-oxydibenzoatobis[μ-3-(pyridin-4-yl-5-(pyridin-3-yl-1H-1,2,4-triazole]dicadmium(II

    Directory of Open Access Journals (Sweden)

    Xiao-Jin Qi

    2016-07-01

    Full Text Available Three kinds of bridging ligands, 4,4′-oxydibenzoate, 4-(4-carboxyphenoxybenzoate and 3-(pyridin-4-yl-5-(pyridin-3-yl-1H-1,2,4-triazole, link the CdII cations to form the title polymeric complex, [Cd2(C14H8O5(C14H9O52(C12H9N52]n, in which each CdII cation is in a distorted N2O5 pentagonal–bipyramidal coordination geometry. The 4,4′-oxydibenzoate dianion exhibits point group symmetry 2, with the central O atom located on a twofold rotation axis. Classical N—H...O, O—H...N hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules into a three-dimensional supramolecular architecture. A solvent-accessible void of 53 (2 Å3 is observed, but no solvent molecule could reasonably located there.

  18. Suggestion for search of ethylene oxide (c-C2H4O) in a cosmic object

    Science.gov (United States)

    Sharma, M. K.; Sharma, M.; Chandra, S.

    2018-05-01

    Ethylene oxide (c-C2H4O) and its isomer acetaldehyde (CH3CHO) are important organic molecules because of their potential role in the formation of amino acids. The c-C2H4O molecule is a b-type asymmetric top molecule and owing to half-spin of each of the four hydrogen atoms, it has two distinct ortho (nuclear spin one) and para (nuclear spin zero and two) species. It has been detected in the Sgr B2N. Using the rotational and centrifugal distortion constants along with the electric dipole moment, we have calculated energies of 100 rotational levels of each of the ortho and para species of c-C2H4O molecule and the Einstein A-coefficients for radiative transitions between the levels. The values of Einstein A-coefficients along with the scaled values for the collisional rate coefficients are used for solving a set of statistical equilibrium equations coupled with the equations of radiative transfer. Brightness-temperatures of five rotational transitions of each of the ortho and para species of c-C2H4O molecule are investigated. Out of these ten transitions, three transitions are found to show the anomalous absorption and rest seven are found to show the emission feature. We have also investigated seven transitions observed unblended in the Sgr B2(N). We have found that the transitions 3_{3 0} - 3_{2 1} (23.134 GHz), 2_{2 0} - 2_{1 1} (15.603 GHz), 3_{3 1} - 3_{2 2} (39.680 GHz) and 1_{1 1} - 0_{0 0} (39.582 GHz) may play important role for the identification of ethylene oxide in a cosmic object.

  19. Synthesis, physical and chemical properties of 2-((4-R-3-(morfolinomethylen-4H-1,2,4-triazole-5-ylthioacetic acid salts

    Directory of Open Access Journals (Sweden)

    R. О. Shcherbyna

    2017-04-01

    Full Text Available Today’s medicine and pharmacy undoubtedly need new and effective drugs. The 1,2,4-triazole derivatives occupy a special place among the wide variety of active organic compounds. This interest is caused primarily by high biological activity of these derivatives, low toxicity and high accessibility in terms of synthesis. Thus, drugs from 1,2,4-triazoles are known and are used extensively in medicine. It is important that a sufficiently large number of scientists-synthetics are paying attention on the heterocyclic system. Although a huge amount of information in the scientific literature is devoted to the 1,2,4-triazole derivatives, the 2-((4-R-3-(morfolinometylen-4H-1,2,4-triazole-5-ylthioacetic acid salts are virtually unexplored. The purpose of the work. Synthesis and establishing of the physical and chemical parameters of new 2-((4-R-3-(morfolinometylen-4H-1,2,4-triazole-5-ylthioacetic acid salts. Materials and methods. The study of physical and chemical properties of the obtained compounds was conducted by the methods that are listed in the State Pharmacopoeia of Ukraine 2.0. The melting point was defined on the device which determines the melting point MPA100. The elemental composition of the compounds was found on the analyzer Elementar Vario ЕL cube (CHNS . 1H NMR specters of obtained compounds were recorded by using a spectrometer Varian Mercury VX-200 (1H, 200 MHz and decrypted by a computer program SpinWorks 3.1.8. Chromatography-mass spectral studies were conducted on the gas-liquid chromatograph Agilent 1260 Infinity HPLC equipped with a mass spectrometer Agilent 6120 (ionization in electrospray (ESI. Results and discussion. As the source (starting compounds 2-((4-R-3-(morfolinometylen-4H-1,2,4-triazole-5-ylthioacetic acids (where, R = H, CH3, C2H5, C6H5, NH2 were taken. Further, by the action of ammonia hydroxide, sodium and potassium hidrogen carbonates, piperidine, morpholine, methylamine, monoethanolamine and tributylamine in

  20. Biochars as Potential Adsorbers of CH4, CO2 and H2S

    Directory of Open Access Journals (Sweden)

    Sumathi Sethupathi

    2017-01-01

    Full Text Available Methane gas, as one of the major biogases, is a potential source of renewable energy for power production. Biochar can be readily used to purify biogas contaminants such as H2S and CO2. This study assessed the adsorption of CH4, H2S, and CO2 onto four different types of biochars. The adsorption dynamics of biochars were investigated in a fixed-bed column, by determining the breakthrough curves and adsorption capacities of biochars. The physicochemical properties of biochars were considered to justify the adsorption performance. The results showed that CH4 was not adsorbed well by the subjected biochars whereas CO2 and H2S were successfully captured. The H2S and CO2 breakthrough capacity were related to both the surface adsorption and chemical reaction. The adsorption capacity was in the following order: perilla > soybean stover > Korean oak > Japanese oak biochars. The simultaneous adsorption also leads to a competition of sorption sites. Biochars are a promising material for the biogas purification industry.

  1. 2-(4-Methylphenyl-7-(2-methylpropoxy-4H-chromen-4-one–6-chloro-2-(4-methylphenyl-7-(2-methylpropoxy-4H-chromen-4-one (19/1

    Directory of Open Access Journals (Sweden)

    Vijay M. Barot

    2012-08-01

    Full Text Available The title co-crystal, 0.95C20H20O3·0.05C20H19ClO3, arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947 (2 and 0.053 (2 for H and Cl, respectively. The molecular structure is stabilized by intramolecular C—H...O contacts, forming pseudo five- and six-membered rings with S(5 and S(6 graph-set motifs, respectively. The crystal structure features π–π stacking interactions between the centroids of the central fused ring systems [centroid–centroid distance = 3.501 (2 Å].

  2. Thermophysical properties of Na2Th (MoO4)3 (s) and Na4Th (MoO4)4 (s)

    International Nuclear Information System (INIS)

    Dash, Smruti; Rakshit, S.K.; Singh, Ziley; Keskar, Meera; Dahale, N.D.

    2009-01-01

    The heat capacity of Na 2 Th (MoO 4 ) 3 (s) and Na 4 Th (MoO 4 ) 4 (s) have been measured by differential scanning calorimeter in the temperature range 318 to 845 K. The corresponding values are: C p,m (Na 2 Th (MoO 4 ) 3 ,s,T) (JK-1 mol-1) 368.710+ 1.0 10-1 (T/K) - 4950267 (K/T)2 (318 ≤ T (K) ≤ 845). C p,m (Na 4 Th (MoO 4 ) 4 ,s,T) (JK-1 mol-1) = 638.761+ 5.12 10-3 (T/K) - 12691691 (K/T)-2 (318 ≤ T (K) ≤ 845). Experimental heat capacity values for Na 2 Th (MoO 4 ) 3 (s) match reasonably well with that of additive oxide values. But C p,m (T) values of Na 4 Th (MoO 4 ) 4 (s) deviates substantially from the additive oxide values above 700 K. The uncertainty of the measurements reported in this study is calculated to be within 1 to 3 % . (author)

  3. Nernst effect in the electron-doped cuprate superconductor L a2 -xC exCu O4

    Science.gov (United States)

    Mandal, P. R.; Sarkar, Tarapada; Higgins, J. S.; Greene, Richard L.

    2018-01-01

    We report a systematic study of the Nernst effect in films of the electron-doped cuprate superconductor L a2 -xC exCu O4 as a function of temperature and magnetic field (up to 14 T) over a range of doping from underdoped (x =0.08 ) to overdoped (x =0.16 ). We have determined the characteristic field scale HC2 * of superconducting fluctuation which is found to track the domelike dependence of superconductivity (TC). The fall of HC2 * and TC with underdoping is most likely due to the onset of long-range antiferromagnetic order. We also report the temperature onset, Tonset, of superconducting fluctuations above TC. For optimally doped x =0.11 Tonset (≅39 K ) is high compared to TC (26 K). For higher doping Tonset decreases and tends to zero along with the critical temperature at the end of the superconducting dome. The superconducting gap closely tracks HC2 * measured from the temperature- and field-dependent Nernst signal.

  4. Effect of a gate buffer layer on the performance of a 4H-SiC Schottky barrier field-effect transistor

    International Nuclear Information System (INIS)

    Zhang Xianjun; Yang Yintang; Chai Changchun; Duan Baoxing; Song Kun; Chen Bin

    2012-01-01

    A lower doped layer is inserted between the gate and channel layer and its effect on the performance of a 4H-SiC Schottky barrier field-effect transistor (MESFET) is investigated. The dependences of the drain current and small signal parameters on this inserted gate-buffer layer are obtained by solving one-dimensional (1-D) and two-dimensional (2-D) Poisson's equations. The drain current and small signal parameters of the 4H-SiC MESFET with a gate-buffer layer thickness of 0.15 μm are calculated and the breakdown characteristics are simulated. The results show that the current is increased by increasing the thickness of the gate-buffer layer; the breakdown voltage is 160 V, compared with 125 V for the conventional 4H-SiC MESFET; the cutoff frequency is 27 GHz, which is higher than 20 GHz of the conventional structure due to the lower doped gate-buffer layer. (semiconductor devices)

  5. Novel proton conducting polymer electrolytes based on polyparabanic acid doped with H 3PO 4 for high temperature fuel cell

    Science.gov (United States)

    Aihara, Yuichi; Sonai, Atsuo

    Three novel proton conducting polymer electrolytes based on polyparabanic acid doped with H 3PO 4 were synthesized and their use in high temperature fuel cells characterized. The precursor polymers, PMD-Im, POD-Im and PDMDP-Im, were synthesized by cyclization polymerization of diisocynanates. After doping with H 3PO 4, the ionic conductivity and the thermal degradation were studied by using the AC impedance method and thermal gravimetric analysis, respectively. These membranes showed high ionic conductivity of the order of 10 -2 S cm -1 at 423 K with good thermal stability. Their application to fuel cells was demonstrated and polarization curves were obtained at 423 K were obtained without humidification.

  6. Periphery-palladated carbosilane dendrimers : Synthesis and reactivity of model organopalladium(II) and (IV) complexes : Crystal structure of [PdMe(C6H4(OCH2Ph)-4)(bpy)] (bpy=2,2'-bipyridine

    NARCIS (Netherlands)

    Koten, G. van; Hovestad, N.J.; Hoare, J.L.; Jastrzebski, J.T.B.H.; Canty, A.J.; Smeets, W.J.J.; Spek, A.L.

    1999-01-01

    A carbosilane dendrimer with 12 peripheral iodoarene groups, [Si{(CH2)3Si((CH2)3SiMe2(C6H4CH2OC6H4I-4))3}4] (G1-ArI, 9), and the corresponding G0 model compound [Si{(CH2)3SiMe2(C6H4CH2OC6H4I-4)}4] (G0-ArI, 8) have been prepared from [Si{(CH2)3Si((CH2)3SiMe2(C6H4CH2Br))3}4] (G1-Br, 7) and the

  7. Catalytic activity of Cu4-cluster to adsorb H2S gas: h-BN nanosheet

    Science.gov (United States)

    Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh

    2018-05-01

    We have investigated the electronic properties, adsorptions strength and charge transfer using first principles calculations using density functional theory (DFT). The hexagonal boron nitride (h-BN) substrate shows metallic behavior, which helps to enhance the absorption process. The adsorption of three different orientations (S, D and T) of the H2S gas molecules to analyze the maximum adsorption strength from them onto a copper cluster (Cu4) based on h-BN nanosheet. The maximum adsorption energy of the H2S gas molecule is -1.50 eV for the S orientation and for D and U, it is -0.71 eV and -0.78 eV, respectively. The results show that Cu4 cluster helps to capture H2S gas from the environment and results are useful for the cleaning environment from the toxic gases.

  8. Design of MgB2 superconducting dipole magnet for particle beam transport in accelerators

    DEFF Research Database (Denmark)

    Abrahamsen, A.B.; Zangenberg, N.; Baurichter, A.

    2006-01-01

    for the collaborating company Danfysik A/S, which has a strongtradition in building resistive magnets for particle accelerators[4]. A technology transfer project was formulated at the end of 2005 with the purpose to collect the knowledge about the MgB2 superconductor gained in the STVF program and in the European...... in a dipole magnet for guiding particle beams in a small scale accelerator is examined with the purpose to build lighter and smaller than the present resistive magnets. Here the criticalcurrent density of primarily MgB2 will be compared with current density determined by specifications similar to the Tevatron...... accelerator, B = 4:4 Tesla and coil aperture D = 76 mm [6], which has been identified by Danfysik A/S as interesting. It isconcluded that MgB2 is useful for the dipole application and construction of a small test coil of one half of the magnet is planned in 2007....

  9. 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

  10. 4-(4-Bromophenyl-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H-one including an unknown solvate

    Directory of Open Access Journals (Sweden)

    S. Antony Inglebert

    2014-05-01

    Full Text Available In the title compound, C18H19BrN2O4, the chromene unit is not quite planar (r.m.s. deviation = 0.199 Å, with the methyl C atoms lying 0.027 (4 and 1.929 (4 Å from the mean plane of the chromene unit. The six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation, with the dimethyl-substituted C atom as the flap. The methylamine and nitro groups are slightly twisted from the chromene moiety, with C—N—C—O and O—N—C—C torsion angles of 2.7 (4 and −0.4 (4°, respectively. The dihedral angle between the mean plane of the chromene unit and the benzene ring is 85.61 (13°. An intramolecular N—H...O hydrogen bond generates an S(6 ring motif, which stabilizes the molecular conformation. In the crystal, molecules are linked via N—H...O hydrogen bonds, forming hexagonal rings lying parallel to the ab plane. A region of disordered electron density, most probably disordered ethanol solvent molecules, occupying voids of ca 432 Å3 for an electron count of 158, was treated using the SQUEEZE routine in PLATON [Spek (2009. Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

  11. Crystal structure of (4,4′-bipyridyl-κNbis[N-(2-hydroxyethyl-N-isopropyldithiocarbamato-κ2S,S′]zinc(II–4,4′-bipyridyl (2/1 and its isostructural cadmium(II analogue

    Directory of Open Access Journals (Sweden)

    Yee Seng Tan

    2017-11-01

    Full Text Available The title structures, [M(C6H12NOS22(C10H8N2]·0.5C10H8N2, for M = Zn, (I, and Cd, (II, feature terminally bound 4,4′-bipyridyl ligands and non-coordinating 4,4′-bipyridyl molecules, with the latter disposed about a centre of inversion. The coordination geometry about the metal atom is defined by two non-symmetrically chelating dithiocarbamate ligands and a pyridyl N atom. The NS4 donor sets are distorted but, approximate to trigonal bipyramidal in each case. In the crystal, hydroxy-O—H...O(hydroxy and hydroxy-O—H...N(pyridyl hydrogen bonds between the zinc-containing molecules lead to a supramolecular layer parallel to (100. The three-dimensional architecture arises as the layers are linked via methine-C—H...S, pyridyl-C—H...O(hydroxy and π–π [inter-centroid distance between coordinated pyridyl rings = 3.6246 (18 Å] interactions. Channels along the c-axis direction are occupied by the non-coordinating 4,4′-bipyridine molecules, which are held in place by C—H...π(chelate ring contacts.

  12. Synthesis and photoluminescence properties of Sm3+-doped CaWO4 nanoparticles

    International Nuclear Information System (INIS)

    Xiao Qi; Zhou Qitao; Li Ming

    2010-01-01

    The Sm 3+ -doped CaWO 4 nanoparticles were synthesized by hydrothermal method. The room temperature photoluminescence (PL) spectra of Sm 3+ -doped CaWO 4 nanoparticles doped with different Sm 3+ concentrations under 405 nm excitation have been investigated. The PL spectra showed four strong emission peaks at 460, 571, 609, and 653 nm. The first emission peak at 460 nm could be due to a structural defect of the lattice, an oxygen-deficient WO 3 complex. The other three emissions at 571, 609, and 653 nm were due to the f-f forbidden transitions of the 4f electrons of Sm 3+ , corresponding to 4 G 5/2 → 6 H 5/2 (571 nm), 6 H 7/2 (609 nm), and 6 H 9/2 (653 nm), respectively. In addition, the optimum Sm 3+ concentration in CaWO 4 nanoparticles for optical emission was determined to be 1.0%. The Sm 3+4 G 5/2 → 6 H 7/2 (609 nm) emission intensity of Sm 3+ -doped CaWO 4 nanoparticles significantly increased with the increase of Sm 3+ concentration, and showed a maximum when Sm 3+ doping content was 1.0%. If Sm 3+ concentration continued to increase, namely more than 1.0%, the Sm 3+4 G 5/2 → 6 H 7/2 emission intensity would decrease. The present materials might be a promising phosphor for white-light LED applications.

  13. A convenient method for 14C-labeling of 2-methylthio-1-[4-N-α-ethoxycarbonylbenzyl)-amino-benzyl] -5-hydroxymethyl-2-[14C]-1H-imidazole and 1-[4-N-α-ethoxy-carbonylbenzyl)-aminobenzyl]-5-hydroxymethyl-2-[14C] -1H-imidazole as potential antihypertensives

    International Nuclear Information System (INIS)

    Nader Saemian; Gholamhossein Shirvani; Mohsen Javaheri; Sayed Sajad Oliyaee

    2012-01-01

    The key synthetic intermediate, (2-mercapto-1-(4-nitrobenzyl)-1H-imidazol-5-yl)methanol-[2- 14 C], has been synthesized by using one pot procedure from potassium[ 14 C]-thiocyanate. It was converted to two nonpeptide angiotensin II receptor antagonists, 2-methylthio-1-[4-N-α-ethoxycarbonyl benzyl)-aminobenzyl]-5-hydroxymethyl-1H-imidazole-[2- 14 C] and 1-[4-N-α-ethoxy-carbonylbenzyl)-aminobenzyl] -5-hydroxymethyl-1H-imidazole-[2- 14 C] via a 3-step sequence synthetic pathway. (author)

  14. Microwave hydrothermal synthesis and upconversion properties of Yb3+/Er3+ doped YVO4 nanoparticles.

    Science.gov (United States)

    Kshetri, Yuwaraj K; Regmi, Chhabilal; Kim, Hak-Soo; Lee, Soo Wohn; Kim, Tae-Ho

    2018-05-18

    Yb 3+ and Er 3+ doped YVO 4 (Yb 3+ /Er 3+ :YVO 4 ) nanoparticles with highly efficient near-infrared to visible upconversion properties have been synthesized by microwave hydrothermal process. Uniform-sized Yb 3+ /Er 3+ :YVO 4 nanoparticles were synthesized within 1 h at 140 °C which is relatively faster than the conventional hydrothermal process. Under 980 nm laser excitation, strong green and less strong red emissions are observed which are attributed to 2 H 11/2 , 4 S 3/2 to 4 I 15/2 and 4 F 9/2 to 4 I 15/2 transitions of Er 3+ respectively. The emission intensity is found to depend strongly on the concentration of Yb 3+ . The quadratic dependence of upconversion intensity on the excitation power indicates that the upconversion process is governed by two-photon absorption process.

  15. Microwave hydrothermal synthesis and upconversion properties of Yb3+/Er3+ doped YVO4 nanoparticles

    Science.gov (United States)

    Kshetri, Yuwaraj K.; Regmi, Chhabilal; Kim, Hak-Soo; Wohn Lee, Soo; Kim, Tae-Ho

    2018-05-01

    Yb3+ and Er3+ doped YVO4 (Yb3+/Er3+:YVO4) nanoparticles with highly efficient near-infrared to visible upconversion properties have been synthesized by microwave hydrothermal process. Uniform-sized Yb3+/Er3+:YVO4 nanoparticles were synthesized within 1 h at 140 °C which is relatively faster than the conventional hydrothermal process. Under 980 nm laser excitation, strong green and less strong red emissions are observed which are attributed to 2H11/2, 4S3/2 to 4I15/2 and 4F9/2 to 4I15/2 transitions of Er3+ respectively. The emission intensity is found to depend strongly on the concentration of Yb3+. The quadratic dependence of upconversion intensity on the excitation power indicates that the upconversion process is governed by two-photon absorption process.

  16. Magnetic properties and critical current density of bulk MgB2 polycrystalline with Bi-2212 addition

    International Nuclear Information System (INIS)

    Shen, T M; Li, G; Zhu, X T; Cheng, C H; Zhao, Y

    2005-01-01

    Bulk samples of MgB 2 were prepared with 0, 3, 5, and 10 wt% Bi 2 Sr 2 CaCu 2 O 8 (Bi-2212) particles, added using a simple solid-state reaction route in order to investigate the effect of inclusions of a material with higher T c than the superconducting matrix. The density, diamagnetic signal, and critical current density, J c , of the samples change significantly with the doping level. It is found that J c is significantly enhanced by the Bi-2212 addition. Microstructural analysis indicates that a small amount of Bi-2212 is decomposed into Cu 2 O and other impurity phases while a significant amount of unreacted Bi-2212 particles remains in MgB 2 matrix, and these act as effective pinning centres for vortices. The enhanced pinning force is mainly attributable to these highly dispersed inclusions inserted in the MgB 2 grains. Despite the effectiveness of the high-T c inclusions in increasing superconducting critical currents in our experiment, our results seem to demonstrate the superiority of attractive centres over repulsive ones. A pinning mechanism is proposed to account for the contribution of this type of pinning centre in MgB 2 superconductors. (rapid communication)

  17. Electromagnetic densification of MgB2/Cu wires

    International Nuclear Information System (INIS)

    Woźniak, M; Glowacki, B A

    2014-01-01

    Electromagnetic compaction of in situ MgB 2 /Cu wire has been achieved using a custom-built 200 J device. The monofilament core packing density was increased by 8% and up to 31% for unreacted and reacted wires respectively. The higher density of the MgB 2 core resulted in a critical current density increase of up to 75% in comparison to that for cold-drawn-only wire. Applying this treatment to a wire with Cu powder additions to the core and with an optimized heat treatment resulted in one of the highest ever reported values of J c for MgB 2 /Cu wires of 6.83 × 10 3  A cm −2 at 4.2 K and 6 T. (paper)

  18. Crystal structure of RbCe(SeO4)2 · 5H2O

    International Nuclear Information System (INIS)

    Ovanesyan, S.M.; Iskhakova, L.D.; Trunov, V.K.

    1987-01-01

    RbTR(SeO 4 ) 2 x5H 2 O TR=La-Pr are synthesized. Crystal structure of RbCe(SeO 4 ) 2 x5H 2 O is studied. Monoclinic unit parameters are: a=7,200(2), b=8,723(1), c=19,258(6) A, Β=90,88(2), ρ (calc) =3,304 sp.gr. P2 1 /c. Within the structure the Ce nine vertex cages are united by Se(1)- and Se(2)-tetrahedrons in (Ce(SeO 4 ) 2 (H 2 O) 5 ) 2 ∞ n- layers. Some crystal structure regularities of the laminated MTR(EO 4 ) 2 xnH 2 O (M=NH 4 ,K,Rb,Cs; TR=La-Ln, E=S,Se) are considered

  19. Irradiation of 4H-SiC UV detectors with heavy ions

    International Nuclear Information System (INIS)

    Kalinina, E. V.; Lebedev, A. A.; Bogdanova, E.; Berenquier, B.; Ottaviani, L.; Violina, G. N.; Skuratov, V. A.

    2015-01-01

    Ultraviolet (UV) photodetectors based on Schottky barriers to 4H-SiC are formed on lightly doped n-type epitaxial layers grown by the chemical vapor deposition method on commercial substrates. The diode structures are irradiated at 25°C by 167-MeV Xe ions with a mass of 131 amu at a fluence of 6 × 10 9 cm −2 . Comparative studies of the optical and electrical properties of as-grown and irradiated structures with Schottky barriers are carried out in the temperature range 23–180°C. The specific features of changes in the photosensitivity and electrical characteristics of the detector structures are accounted for by the capture of photogenerated carriers into traps formed due to fluctuations of the conduction-band bottom and valence-band top, with subsequent thermal dissociation

  20. In situ one-pot fabrication of g-C3N4 nanosheets/NiS cocatalyst heterojunction with intimate interfaces for efficient visible light photocatalytic H2 generation

    Science.gov (United States)

    He, Kelin; Xie, Jun; Li, Mingli; Li, Xin

    2018-02-01

    Constructing high-quality earth-abundant semionconductor/cocatalyst heterojunction remains a grand challenge in the promising fields of photocatalytic solar fuel H2 production. Herein, an intimate g-C3N4 nanosheet/NiS cocatalyst heterojunction is fabricated by in situ one-step calcination of urea, thiourea and nickel acetate. Interestingly, thiourea could act as both the precursor of g-C3N4 and the sulfur source of NiS. The H2-evolution activity of as-obtained photocatalysts was tested in a triethanolamine (TEOA) scavenger solution under visible light irradiation. Transmission electron microscopy (TEM) and energy dispersive X-ray (EDX) mapping analysis clearly demonstrated that the NiS catalyst nanoparticles could be in situ fabricated and homogeneously distributed on the surface of g-C3N4 nanosheets without an obvious aggregation. The maximum H2-production rate of 29.68 μmol h-1 could be achieved, which is nearly comparable to that of 0.5 wt% Pt loaded sample. It is believed that the intimate heterojunction interfaces between NiS nanoparticles and g-C3N4 nanosheets could be in situ constructed by high temperature calcination, which achieved the improved charge separation, the enhanced oxidation ability of TEOA and the accelerated the sluggish H2-evolution kinetics, thus resulting in the remarkably enhanced hydrogen evolution. Therefore, our study provides insights into constructing high-quality robust g-C3N4-based heterojunction material for photocatalytic applications by using a simple one-step in-situ calcination technique.

  1. The Determination of Sub-Microgram Quantities, of Amino Acids with H{sup 3}- and C{sup 1}4-Labelled 1-Fluoro-2.4 Dinitrobenzene; Determination d'acides amines en quantites inferieures au microgramme a l'aide de 1-fluoro-2,4-dinitrobenzen e marque au {sup 3}H et au {sup 14}C; Podschet submikrogrammnykh kolichestv aminokislot pri pomoshchi 2 : 4 dinitroftor'enzola, mechennogo H{sup 3} i C{sup 14}; Determinacion de cantidades de aminoacidos inferiores al microgramo por medio de 1-fluoro-2,4-dinitrobenceno marcado con {sup 3}H y {sup 14}C

    Energy Technology Data Exchange (ETDEWEB)

    Beale, D; Whitehead, J K [Middlesex Hospital Medical School, London (United Kingdom)

    1962-01-15

    satisfactoriament con los valores que suministra el analisis por derivacion empleando anhidrido acetico marcado con {sup 3}H y con {sup 14}C, y con los que se obtienen mediante cromatografia de intercambio ionico. (author) [Russian] Opisyvaetsya metod izotopnogo derivatsionnogo analiza dlya opredeleniya aminokislot pri nizkom urovne v 10{sup -5} mikro-mol' v gidrolizatakh proteina. 2:4 djnitroftorbenzola-H{sup 3} (G) byl sintezirovan iz ' brombenzola-H{sup 3}(G) i 2 : 4 dinitroftorbenzola-C{sup 14}(G), kotoryj byl poluchen iz khlorbenzola-C{sup 14}(G). Metod analiza vklyuchaet obrabotku smesi amino-kislot tritirovannym reaktivom (udel'naya aktivnost' 12.8 mikro kyuri/mikro ehkvijalent) v shchelochnoj rastvore, k kotoromu prisoedinyaetsya primes' s izvestnoj aktivnost' (6000 raspadov v minutu) proizvodnykh 2 : 4 dinitrofenila , mechennogo S14. Posle rastvoryayushchej ehkstraktsii smeshannaya reaktsiya vydelyaet iz svoego sostava proizvodnye dinitrofinila dvumya putyami khromatografii na bumage i soderzhanie H''3 i C''1''4 kazhdoj kapli opredelyaetsya szhiganiem i gazovym podschetom. Podschet H''3 daet kolichestvo, ravnoe proizvodnoj DNK iz aminokisloty, otdelennoj ot osnovnoj smesi, a schet C''1''4 ukazyvaet na velichinu poter', poluchivshikhsya vo vremya analiza. Itogi, poluchennye v rezul'tate analiza 1 mikrogramma gidrolizovannogo insulina polnost'yu soglasuyutsya s velichinami, poluchennymi v rezul'tate derivatsionnogo analiza s ispol'zovaniem uksusnogo angidrida, mechennogo H{sup 3} i C{sup 14} i s pomoshch'yu khromotografii ionnogo obmena smol. (author)

  2. Tinnunculite, C5H4N4O3 · 2H2O: Occurrences on the Kola Peninsula and Redefinition and Validation as a Mineral Species

    Science.gov (United States)

    Pekov, I. V.; Chukanov, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Lykova, I. S.; Zubkova, N. V.; Shcherbakova, E. P.; Britvin, S. N.; Chervonnyi, A. D.

    2017-12-01

    Based on a study of samples found in the Khibiny (Mt. Rasvumchorr: the holotype) and Lovozero (Mts Alluaiv and Vavnbed) alkaline complexes on the Kola Peninsula, Russia, tinnunculite was approved by the IMA Commission on New Minerals, Nomenclature, and Classification as a valid mineral species (IMA no. 2015-02la) and, taking into account a revisory examination of the original material from burnt dumps of coal mines in the southern Urals, it was redefined as crystalline uric acid dihydrate (UAD), C5H4N4O3 · 2H2O. Tinnunculite is poultry manure mineralized in biogeochemical systems, which could be defined as "guano microdeposits." The mineral occurs as prismatic or tabular crystals up to 0.01 × 0.1 × 0.2 mm in size and clusters of them, as well as crystalline or microglobular crusts. Tinnunculite is transparent or translucent, colorless, white, yellowish, reddish or pale lilac. Crystals show vitreous luster. The mineral is soft and brittle, with a distinct (010) cleavage. D calc = 1.68 g/cm3 (holotype). Tinnunculite is optically biaxial (-), α = 1.503(3), β = 1.712(3), γ = 1.74(1), 2 V obs = 40(10)°. The IR spectrum is given. The chemical composition of the holotype sample (electron microprobe data, content of H is calculated by UAD stoichiometry) is as follows, wt %: 37.5 O, 28.4 C, 27.0 N, 3.8 Hcalc, total 96.7. The empirical formula calculated on the basis of (C + N+ O) = 14 apfu is: C4.99H8N4.07O4.94. Tinnunculite is monoclinic, space group (by analogy with synthetic UAD) P21/ c. The unit cell parameters of the holotype sample (single crystal XRD data) are a = 7.37(4), b = 6.326(16), c = 17.59(4) Å, β = 90(1)°, V = 820(5) Å3, Z = 4. The strongest reflections in the XRD pattern ( d, Å- I[ hkl]) are 8.82-84[002], 5.97-15[011], 5.63-24[102̅, 102], 4.22-22[112], 3.24-27[114̅,114], 3.18-100[210], 3.12-44[211̅, 211], 2.576-14[024].

  3. Gas-phase nitrosation of ethylene and related events in the C2H4NO+ landscape.

    Science.gov (United States)

    Gerbaux, Pascal; Dechamps, Noemie; Flammang, Robert; Nam, Pham Cam; Nguyen, Minh Tho; Djazi, Fayçal; Berruyer, Florence; Bouchoux, Guy

    2008-06-19

    The C2H4NO(+) system has been examined by means of quantum chemical calculations using the G2 and G3B3 approaches and tandem mass spectrometry experiments. Theoretical investigation of the C2H4NO(+) potential-energy surface includes 19 stable C2H4NO(+) structures and a large set of their possible interconnections. These computations provide insights for the understanding of the (i) addition of the nitrosonium cation NO(+) to the ethylene molecule, (ii) skeletal rearrangements evidenced in previous experimental studies on comparable systems, and (iii) experimental identification of new C2H4NO(+) structures. It is predicted from computation that gas-phase nitrosation of ethylene may produce C2H4(*)NO(+) adducts, the most stable structure of which is a pi-complex, 1, stabilized by ca. 65 kJ/mol with respect to its separated components. This complex was produced in the gas phase by a transnitrosation process involving as reactant a complex between water and NO(+) (H2O.NO(+)) and the ethylene molecule and fully characterized by collisional experiments. Among the other C 2H 4NO (+) structures predicted by theory to be protected against dissociation or isomerization by significant energy barriers, five were also experimentally identified. These finding include structures CH3CHNO(+) (5), CH 3CNOH (+) ( 8), CH3NHCO(+) (18), CH3NCOH(+) (19), and an ion/neutral complex CH2O...HCNH(+) (12).

  4. Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.

    Science.gov (United States)

    Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F; Venkatesan, Koushik; Berke, Heinz

    2016-04-07

    dicationic trans-[(Me3SiC[triple bond, length as m-dash]C)(PMe3)4Re[triple bond, length as m-dash]C-C[triple bond, length as m-dash]C-C[triple bond, length as m-dash]Re(PMe3)4(C[triple bond, length as m-dash]CSiMe3)][PF6]2 (7[PF6]2) complex, attributed a butynedi(triyl) bridge structure, was obtained by deprotonation of E-6[PF6]2 with KOtBu followed by oxidation with 2 equiv. of [Cp2Fe][PF6]. The neutral complex 7 could be accessed best by reduction of 7[PF6]2 with KH in the presence of 18-crown-6. According to DFT calculations 7 possesses two equilibrating electronic states: diamagnetic 7(S) and triplet 7(F) with ferromagnetically coupled spins. The latter is calculated to be 5.2 kcal mol(-1) lower in energy than 7(S). There is experimental evidence that 7(S) prevails in solution. 7 could not be isolated in the crystalline state and is unstable transforming mainly by H-abstraction to give E-6(S). UV-Vis-NIR spectroscopy for the dinuclear rhenium complexes E-6(S), E-6[PF6] and E-6[PF6]2, as well as EPR spectroscopic and variable-temperature magnetization measurements for the MV complex E-6[PF6] were also conducted. Spectro-electrochemical reduction studies on 7[PF6]2 allowed the characterization of the mono- and direduced forms of 7(+) and 7 by means of IR- and UV-Vis-NIR-spectroscopy and revealed the chemical fate of the higher reduced form.

  5. Synthesis and Luminescence Properties of Novel Ce(3+)- and Eu(2+)-Doped Lanthanum Bromothiosilicate La3Br(SiS4)2 Phosphors for White LEDs.

    Science.gov (United States)

    Lee, Szu-Ping; Liu, Shuang-De; Chan, Ting-Shan; Chen, Teng-Ming

    2016-04-13

    Novel Ce(3+)- and Eu(2+)-doped lanthanum bromothiosilicate La3Br(SiS4)2:Ce(3+)and La3Br(SiS4)2:Eu(2+) phosphors were prepared by solid-state reaction in an evacuated and sealed quartz glass ampule. The La3Br(SiS4)2:Ce(3+) phosphor generates a cyan emission upon excitation at 375 nm, whereas the La3Br(SiS4)2:Eu(2+) phosphor could be excited with extremely broad range from UV to blue region (300 to 600 nm) and generates a reddish-orange broadband emission centered at 640 nm. In addition, thermal luminescence properties of La3Br(SiS4)2:Ce(3+)and La3Br(SiS4)2:Eu(2+) phosphors from 20 to 200 °C were investigated. The combination of a 450 nm blue InGaN-based LED chip with the red-emitting La3Br(SiS4)2:Eu(2+) phosphor, and green-emitting BOSE:Eu(2+) commercial phosphor produced a warm-white light with the CRI value of ∼95 and the CCT of 5,120 K. Overall, these results show that the prepared phosphors may have potential applications in pc-WLED.

  6. Experimental and kinetic modeling study of C2H4 oxidation at high pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, Maria

    2009-01-01

    of conditions (0.003-100 bar, 200-3000 K). The results indicate that at 60 bar and medium temperatures vinyl peroxide, rather than CH2O and HCO, is the dominant product. The experiments, involving C2H4/O-2 mixtures diluted in N-2, were carried out in a high pressure flow reactor at 600-900 K and 60 bar, varying......A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O-2 reaction was used to obtain rate coefficients over a wide range...

  7. 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

  8. Study of cerium doped magnetite (Fe3O4:Ce)/PMMA nanocomposites

    International Nuclear Information System (INIS)

    Padalia, Diwakar; Johri, U.C.; Zaidi, M.G.H.

    2012-01-01

    The paper presents the synthesis and properties of polymer nanocomposite material based on cerium doped magnetite (Fe 3 O 4 ) as filler material and poly methyl methacrylate (PMMA) as host matrix. The magnetite (Fe 3 O 4 ) particles were synthesized by co-precipitation route using stable ferrous and ferric salts with ammonium hydroxide as precipitating agent. Further, they doped by cerium oxide (CeO 2 ) non-stoichiometrically. The composite material was fabricated by solvent evaporation method. Here 2.4 GHz microwaves were used to study the effect of microwaves heating on polymerization. The phase and crystal structure is determined by X-ray diffraction (XRD). The average crystallite size of the composites varies from 28 to 35 nm. The chemical structure is confirmed by Fourier transform infrared (FTIR) spectroscopy. The magnetic and thermal properties are investigated by vibrating sample magnetometer (VSM) and differential scanning calorimetry (DSC). The thermal study shows that the microwave heated samples possess higher glass transition temperature (T g ). The magnetic results suggest that coercivity (H C ) and squareness (M r /M s ) of the loop increases with increasing doping percent of cerium.

  9. Morphology and electronic transport of polycrystalline silicon films deposited by SiF sub 4 /H sub 2 at a substrate temperature of 200 deg. C

    CERN Document Server

    Hazra, S; Ray, S

    2002-01-01

    Undoped and phosphorous doped polycrystalline silicon (poly-Si) films were deposited using a SiF sub 4 /H sub 2 gas mixture at a substrate temperature of 200 deg. C by radio frequency plasma enhanced chemical vapor deposition (rf-PECVD). Fourier transform infrared (FTIR) spectroscopy and x-ray diffraction (XRD) experiments reveal that the present poly-Si films are equivalent to the poly-Si films deposited at high temperature (>600 deg. C). XRD and scanning electron microscope observations show that the crystalline quality of slightly P-doped film is better compared to that of undoped poly-Si films. Phosphorus atom concentration in the slightly P-doped poly-Si film is 5.0x10 sup 1 sup 6 atoms/cm sup 3. Association of a few phosphorous atoms in the silicon matrix enhances crystallization as eutectic-forming metals do. Dark conductivity of slightly P-doped film is 4 orders of magnitude higher, although mobility-lifetime product (eta mu tau) is 2 orders of magnitude lower than that of undoped film. The presence o...

  10. Complexing in the system Rb2SeO4-UO2SeO4-H2O

    International Nuclear Information System (INIS)

    Kuchumova, N.V.; Shtokova, I.P.; Serezhkina, L.B.; Serezhkin, V.N.

    1989-01-01

    Method of isothermal solubility at 25 deg C is used to study interaction of rubidium and uranyl selenates in aqueous solution. Formation of congruently soluble Rb 2 UO 2 (SeO 4 ) 2 x2H 2 O and Rb 2 (UO 2 ) 2 x(SeO 4 ) 3 x6H 2 O is stated. For the last compound crystallographic characteristics (a=10.668; b=14.935(9); c=13.891(7) A; β=104.94(1); Z=4, sp.gr. P2 1 /c) are determined. Thermal decomposition of a compound results in formation of Rb 2 U 2 O 7

  11. Synthesis and crystal structure of MgB12

    International Nuclear Information System (INIS)

    Adasch, Volker; Hess, Kai-Uwe; Ludwig, Thilo; Vojteer, Natascha; Hillebrecht, Harald

    2006-01-01

    Single crystals of MgB 12 were synthesized from the elements in a Mg/Cu melt at 1600deg. C. MgB 12 crystallizes orthorhombic in space group Pnma with a=16.632(3)A, b=17.803(4)A and c=10.396(2)A. The crystal structure (Z=30, 5796 reflections, 510 variables, R 1 (F)=0.049, wR 2 (I)=0.134) consists of a three dimensional net of B 12 icosahedra and B 21 units in a ratio 2:1. The B 21 units are observed for the first time in a solid compound. Mg is on positions with partial occupation. The summation reveals the composition MgB 12.35 or Mg 0.97 B 12 , respectively. This is in good agreement with the value of MgB 11.25 as expected by electronic reasons to stabilize the boron polyhedra B 12 2- and B 21 4-

  12. Solid-state microwave annealing of ion-implanted 4H-SiC

    International Nuclear Information System (INIS)

    Sundaresan, Siddarth G.; Tian, Yong-lai; Ridgway, Mark C.; Mahadik, Nadeemullah A.; Qadri, Syed B.; Rao, Mulpuri V.

    2007-01-01

    Solid-state microwave annealing was performed at temperatures up to 2120 deg, C for 30 s on ion-implanted 4H-SiC in N 2 ambient. The surface roughness in the samples annealed without a surface cap at 1950 deg, C is 2.65 nm for 10 μm x 10 μm atomic force microscopy scans. The sheet resistances measured on Al + - and P + -implanted 4H-SiC, annealed by microwaves, are lower than the best conventional furnace annealing results reported in literature. X-ray diffraction spectra indicate alleviation of the lattice damage induced by the ion-implantation and also incorporation of most of the implanted species into substitutional lattice sites

  13. Study the effect of sintering temperature on structural, microstructural and electromagnetic properties of 10% Ca-doped Mn_0_._6Zn_0_._4Fe_2O_4

    International Nuclear Information System (INIS)

    Rahaman, Md. D.; Dalim Mia, Md.; Khan, M.N.I.; Akther Hossain, A.K.M.

    2016-01-01

    Calcium doped manganese–zinc ferrite having the nominal composition Mn_0_._6_−_xCa_xZn_0_._4Fe_2O_4 (x=0.0, 0.1) were prepared via the conventional solid-state sintering method, which were sintered at 1150, 1200 and 1250 °C for 5 h. The microstructure and surface morphology were characterized by X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR) and scanning electron microscope (SEM). XRD patterns revealed the formation of pure spinel phase ferrites with α-Fe_2O_3 impurity phase. FTIR spectra showed two absorption bands (ν_1 and ν_2) attributed to stretching vibration of tetrahedral and octahedral complex Fe"3"+–O"2"−, respectively. SEM micrographs displayed non-homogeneous grains of polyhedral shape but with increased grain size along with the increase of sintering temperature. Pure and calcium doped samples exhibit the highest dielectric constant at 1250 °C. Calcium doped sample has lower dielectric constant as compared to the pristine sample which is attributed to the retardation in electron exchange mechanism caused by lockup among iron and calcium ion. The dielectric loss peaks in pristine sample is attributed to the hopping frequency of Fe"2"+/Fe"3"+ between the tetrahedral and octahedral sites nearly equal to the frequency of the applied field. Calcium doped sample exhibits improved AC conductivity compare to the undoped sample at 1200 °C and 1250 °C because the electron hopping between Fe"3"+ and Fe"2"+ increases as the migration of Fe"3"+ to the B-sites increases with the occupancy of Ca"2"+ in the A-sites. Complex impedance spectra revealed that the conduction process is mainly attributed due to the processes which are associated with the grain and grain boundary in pristine sample and in calcium doped sample is associated with the grain only at 1150 and 1200 °C. Calcium substituted sample has lower permeability than that of pristine sample because Ca"2"+ can segregate the grain boundaries and creates an insulating

  14. The Fabrication and Characterization of Ni/4H-SiC Schottky Diode Radiation Detectors with a Sensitive Area of up to 4 cm².

    Science.gov (United States)

    Liu, Lin-Yue; Wang, Ling; Jin, Peng; Liu, Jin-Liang; Zhang, Xian-Peng; Chen, Liang; Zhang, Jiang-Fu; Ouyang, Xiao-Ping; Liu, Ao; Huang, Run-Hua; Bai, Song

    2017-10-13

    Silicon carbide (SiC) detectors of an Ni/4H-SiC Schottky diode structure and with sensitive areas of 1-4 cm² were fabricated using high-quality lightly doped epitaxial 4H-SiC material, and were tested in the detection of alpha particles and pulsed X-rays/UV-light. A linear energy response to alpha particles ranging from 5.157 to 5.805 MeV was obtained. The detectors were proved to have a low dark current, a good energy resolution, and a high neutron/gamma discrimination for pulsed radiation, showing the advantages in charged particle detection and neutron detection in high-temperature and high-radiation environments.

  15. 5-(4-Methylphenylsulfonyl-1,3-dithiolo[4,5-c]pyrrole-2-thione

    Directory of Open Access Journals (Sweden)

    Ning-Juan Zheng

    2012-04-01

    Full Text Available The asymmetric unit of the title compound, C12H9NO2S4, contains one half-molecule with the N, two S amd four C atoms lying on a mirror plane. The molecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7° between the benzene and dithiolopyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains in [010].

  16. 5-Bromo-4-(3,4-dimethoxyphenylthiazol-2-amine

    Directory of Open Access Journals (Sweden)

    Hazem A. Ghabbour

    2012-06-01

    Full Text Available In the title compound, C11H11BrN2O2S, the thiazole ring makes a dihedral angle of 53.16 (11° with the adjacent benzene ring. The two methoxy groups are slightly twisted from the attached benzene ring with C—O—C—C torsion angles of −9.2 (3 and −5.5 (3°. In the crystal, molecules are linked by a pair of N—H...N hydrogen bonds into an inversion dimer with an R22(8 ring motif. The dimers are further connected by N—H...O hydrogen bonds into a tape along [-110].

  17. Nanostructure characterization of Ni and B layers as artificial pinning centers in multilayered MgB2/Ni and MgB2/B superconducting thin films

    International Nuclear Information System (INIS)

    Sosiati, H.; Hata, S.; Doi, T.; Matsumoto, A.; Kitaguchi, H.; Nakashima, H.

    2013-01-01

    Highlights: ► Nanostructure characterization of Ni and B layers as artificial pinning centers (APCs). ► Relationship between nanostructure and J c property. ► Enhanced J c in parallel field by parallel APCs within the MgB 2 film. -- Abstract: Research on the MgB 2 /Ni and MgB 2 /B multilayer films fabricated by an electron beam (EB) evaporation technique have been extensively carried out. The critical current density, J c of MgB 2 /Ni and MgB 2 /B multilayer films in parallel fields has been suggested to be higher than that of monolayer MgB 2 film due to introducing the artificial pinning centers of nano-sized Ni and B layers. Nanostructure characterization of the artificial pinning centers in the multilayer films were examined by transmission electron microscopy (TEM) and scanning TEM (STEM-energy dispersive X-ray spectroscopy (STEM-EDS))–EDS to understand the mechanism of flux pinning. The growth of columnar MgB 2 grains along the film-thickness direction was recognized in the MgB 2 /Ni multilayer film, but not in the MgB 2 /B multilayer film. Nano-sized Ni layers were present as crystalline epitaxial layers which is interpreted that Ni atoms might be incorporated into the MgB 2 lattice to form (Mg,Ni)B 2 phase. On the other hand, nano-sized B layers were amorphous layers. Crystalline (Mg,Ni)B 2 layers worked more effectively than amorphous B-layers, providing higher flux-pinning force that resulted in higher J c of the MgB 2 /Ni multilayer film than the MgB 2 /B multilayer film

  18. Formation of polycrystalline MgB2 synthesized by powder in sealed tube method with different initial boron phase

    Science.gov (United States)

    Yudanto, Sigit Dwi; Imaduddin, Agung; Kurniawan, Budhy; Manaf, Azwar

    2018-04-01

    Magnesium diboride, MgB2 is a new high critical temperature superconductor that discovered in the beginning of the 21st century. The MgB2 has a simple crystal structure and a high critical temperature, which can be manufactured in several forms like thin films, tapes, wires including bulk in the large scale. For that reason, the MgB2 has good prospects for various applications in the field of electronic devices. In the current work, we have explored the synthesis of MgB2 polycrystalline using powder in a sealed tube method. Different initial boron phase for the synthesized of MgB2 polycrystalline were used. These were, in addition to magnesium powders, crystalline boron, amorphous boron and combination both of them were respectively fitted in the synthesis. The raw materials were mixed in a stoichiometric ratio of Mg: B=1:2, ground using agate mortar, packed into stainless steel SS304. The pack was then sintered at temperature of 800°C for 2 hours in air atmosphere. Phase formation of MgB2 polycrystalline in difference of initial boron phase was characterized using XRD and SEM. Referring to the diffraction pattern and microstructure observation, MgB2 polycrystalline was formed, and the formation was effective when using the crystalline Mg and fully amorphous B as the raw materials. The critical temperature of the specimen was evaluated by the cryogenic magnet. The transition temperature of the MgB2 specimen synthesized using crystalline magnesium and full amorphous boron is 42.678 K (ΔTc = 0.877 K).

  19. Structure of ferroelastic K3H(SeO4)2

    International Nuclear Information System (INIS)

    Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.

    1992-01-01

    Tripotassium hydrogenbis(selenate), K 3 H(SeO 4 ) 2 , M r = 404.2, monoclinic, A2/a, a = 10.1291 (8), b = 5.9038 (5), c = 14.961 (1) A, β = 103.640 (8) 0 , V = 869.5 (1) A 3 , Z = 4, D x = 3.086 Mg m -3 , λ(Mo Kα) = 0.71073 A, μ = 9.86 mm -1 , F(000) = 760, T = 299 K, R(F) = 0.0294 for 1670 unique reflections. K 3 H(SeO 4 ) 2 is isomorphous with most M 3 H(XO 4 ) 2 -type crystals (M=K,Rb and Cs; Cs; X = S and Se); two SeO 4 groups are connected by a crystallographically symmetric hydrogen bond into a dimer. The bond distances and angles in the SeO 4 group are similar to those in Rb 3 H(SeO 4 ) 2 and Rb 3 D(SeO 4 ) 2 . The hydrogen-bond length, 2.524 (5) A, is the shortest among the members of the M 3 H(SeO 4 ) 2 family exhibiting the low-temperature phase transition. (orig.)

  20. The study of UV-spectra of the sodium (3-oxo-3,4-dihydro-2H-[1,2,4]triazino[4,3-c]quinazolin-4-ylacetate

    Directory of Open Access Journals (Sweden)

    О. V. Kryvoshey

    2016-04-01

    Full Text Available Despite the potential of [1,2,4]triazino[4,3-c]quinazoline derivatives as promising bioactive compounds, their electronic spectra has not been studied. Present manuscript is aimed to the estimation of relationships of molecules structure with the nature of their UV-spectra and identifying spectral patterns of pharmacophore that determines the pharmacological activity of the substance. Mentioned information undoubtedly contributes to the development of the theory of the purposeful synthesis of organic compounds. Methods and results. UV-spectra of sodium (3-oxo-3,4-dihydro-2H-[1,2,4]triazino[4,3-c]quinazolin-4-ylacetate in different polarity solvents have been studied. It allowed to identify types of electron transitions, which were responsible of emergence of the observed absorption bands. Conclusions. It was found that the UV-spectra of the studied compounds in solvents with different polarity were characterized by three absorption bands in the range 190–227 nm, 260–284 nm and 328–348 nm. According to Braude classification the first absorption band should be classified as 1La, the second – as 1Lb, and the third band is due to p-π- conjugation in the molecule of the whole molecule structure.

  1. Barrier inhomogeneities and electronic transport of Pt contacts to relatively highly doped n-type 4H-SiC

    International Nuclear Information System (INIS)

    Huang, Lingqin; Wang, Dejun

    2015-01-01

    The barrier characteristics of Pt contacts to relatively highly doped (∼1 × 10 18  cm −3 ) 4H-SiC were investigated using current-voltage (I-V) and capacitance-voltage (C-V) measurements in the temperature range of 160–573 K. The barrier height and ideally factor estimated from the I-V characteristics based on the thermionic emission model are abnormally temperature-dependent, which can be explained by assuming the presence of a double Gaussian distribution (GD) of inhomogeneous barrier heights. However, in the low temperature region (160–323 K), the obtained mean barrier height according to GD is lower than the actual mean value from C-V measurement. The values of barrier height determined from the thermionic field emission model are well consistent with those from the C-V measurements, which suggest that the current transport process could be modified by electron tunneling at low temperatures

  2. Three closely related 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions.

    Science.gov (United States)

    Sagar, Belakavadi K; Harsha, Kachigere B; Yathirajan, Hemmige S; Rangappa, Kanchugarakoppal S; Rathore, Ravindranath S; Glidewell, Christopher

    2017-03-01

    In each of 1-(4-fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine, C 21 H 19 F 4 N 3 O 2 S, (I), 1-(4-chlorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine, C 21 H 19 ClF 3 N 3 O 2 S, (II), and 1-(3-methylphenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine, C 22 H 22 F 3 N 3 O 2 S, (III), the reduced pyridine ring adopts a half-chair conformation with the methylsulfonyl substituent occupying an equatorial site. Although compounds (I) and (II) are not isostructural, having the space groups Pbca and P2 1 2 1 2 1 , respectively, their molecular conformations are very similar, but the conformation of compound (III) differs from those of (I) and (II) in the relative orientation of the N-benzyl and methylsulfonyl substituents. In compounds (II) and (III), but not in (I), the trifluoromethyl groups are disordered over two sets of atomic sites. Molecules of (I) are linked into centrosymmetric dimers by C-H...π(arene) hydrogen bonds, molecules of (II) are linked by two C-H...O hydrogen bonds to form ribbons of R 3 3 (18) rings, which are themselves further linked by a C-Cl...π(arene) interaction, and a combination of C-H...O and C-H...π(arene) hydrogen bonds links the molecules of (III) into sheets. Comparisons are made with the structures of some related compounds.

  3. An Optimized Synthesis, Molecular Structure and Characterization of Benzylic Derivatives of 1,2,4-Triazin-3,5(2H,4H-dione

    Directory of Open Access Journals (Sweden)

    Long-Chih Hwang

    2017-11-01

    Full Text Available 4-Benzyl-1,2,4-triazin-3,5(2H,4H-dione (3-benzyl-6-azauracil, 2, and 2,4-dibenzyl-1,2,4-triazin-3,5(2H,4H-dione (1,3-dibenzyl-6-azauracil, 3 were synthesized by the reaction of 1,2,4-triazin-3,5(2H,4H-dione (6-azauracil, 1 with benzyl bromide and potassium carbonate in dry acetone via the 18-crown-6-ether catalysis. In these reaction methods, we developed more convenient and efficient methodologies to afford compounds 2 and 3 in good yields. These compounds were characterized by 1H- and 13C-NMR, MS spectrum, IR spectroscopy and elemental analysis. The structure of 2 was verified by 2D-NMR measurements, including gHSQC and gHMBC measurements. A single-crystal X-ray diffraction experiment indicated that compound 3, with the molecular formula C17H15N3O2, crystallized from a CH3OH/CH2Cl2 diffusion solvent system in a monoclinic space group P21/c with a = 13.7844(13, b = 8.5691(8, c = 13.0527(12 Å, β = 105.961(2°, V = 1482.3(2 Å3, Z = 4, resulting in a density Dcalc of 1.314 g/cm3. The crystal structure of compound 3 is tightly stabilized by contact with five other molecules from the six short contacts formed by intermolecular C−O···H−Car, C−H···Car, and weakly π···π stacking interactions. The dihedral angle 31.90° is formed by the mean planes of the benzene rings of the N-2 and N-4 benzyl groups.

  4. 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)

  5. Fabrication of water-dispersible and highly conductive PSS-doped PANI/graphene nanocomposites using a high-molecular weight PSS dopant and their application in H2S detection

    Science.gov (United States)

    Cho, Sunghun; Lee, Jun Seop; Jun, Jaemoon; Kim, Sung Gun; Jang, Jyongsik

    2014-11-01

    This work describes the fabrication of poly(4-styrenesulfonic acid)-doped polyaniline/graphene (PSS-doped PANI/graphene) nanocomposites and their use as sensing elements for hydrogen sulfide (H2S) detection. PSS with a weight-average molecular weight (Mw) of 1.96 × 106 was synthesized using low-temperature free-radical polymerization. The PSS was used as both a doping agent and a binding agent for the polymerization of aniline monomers in a biphasic system (water-chloroform) at -50 °C. The high Mw of PSS resulted in relatively large particle sizes and smooth surfaces of the PSS-doped PANI. These physical characteristics, in turn, resulted in low interparticle resistance and high conductivity. In addition, the PSS allowed homogeneous dispersion of reduced graphene sheets through electrostatic repulsion. The prepared PSS-doped PANI/graphene solutions showed good compatibility with flexible poly(ethylene terephthalate) (PET) substrates, making them suitable for flexible sensor electrodes. Changes in the charge-transport properties, such as protonation level, conjugation length, crystalline structure, and charge-transfer resistance, of the electrode materials were the main factors influencing the electrical and sensor performance of the PSS-doped PANI-based electrodes. PSS-doped PANI/graphene composites containing 30 wt% graphene showed the highest conductivity (168.4 S cm-1) and the lowest minimum detection level (MDL) for H2S gas (1 ppm). This result is consistent with the observed improvements in charge transport in the electrode materials via strong π-π stacking interactions between the PANI and the graphene sheets.This work describes the fabrication of poly(4-styrenesulfonic acid)-doped polyaniline/graphene (PSS-doped PANI/graphene) nanocomposites and their use as sensing elements for hydrogen sulfide (H2S) detection. PSS with a weight-average molecular weight (Mw) of 1.96 × 106 was synthesized using low-temperature free-radical polymerization. The PSS was

  6. Potential antimicrobial agents from triazole-functionalized 2H-benzo[b][1,4]oxazin-3(4H)-ones.

    Science.gov (United States)

    Bollu, Rajitha; Banu, Saleha; Bantu, Rajashaker; Reddy, A Gopi; Nagarapu, Lingaiah; Sirisha, K; Kumar, C Ganesh; Gunda, Shravan Kumar; Shaik, Kamal

    2017-12-01

    A series of substituted triazole functionalized 2H-benzo[b][1,4]oxazin-3(4H)-ones were synthesized by employing click chemistry and further characterized based on 1 H NMR, 13 C NMR, IR and mass spectral studies. All the synthesized derivatives were screened for their in vitro antimicrobial activities. Further, molecular docking studies were accomplished to explore the binding interactions between 1,2,3-triazol-4-yl-2H-benzo[b][1,4]oxazin-3(4H)-one and the active site of Staphylococcus aureus (CrtM) dehydrosqualene synthase (PDB ID: 2ZCS). These docking studies revealed that the synthesized derivatives showed high binding energies and strong H-bond interactions with the dehydrosqualene synthase validating the observed antimicrobial activity data. Based on antimicrobial activity and docking studies, the compounds 9c, 9d and 9e were identified as promising antimicrobial leads. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. The influence of the roll diameter in flat rolling of of superconducting in situ and ex situ MgB2 tape

    DEFF Research Database (Denmark)

    Hancock, Michael Halloway; Bay, Niels

    2007-01-01

    , 150 and 210 mm in each step. The investigation has shown that the in situ powder is more readily compacted than the ex situ powder, with an average increase of relative density after mechanical processing of 37% for in situ powder and 19% for ex situ powder. Statistical analysis showed that the choice......Applying the powder in tube (PIT) method, single-filament MgB2/Fe wire and tape has been manufactured applying both the ex situ and the in situ approach. The influence of the roll diameter in three-step flat rolling on the powder density and critical temperature has been examined using rolls of 70...... roll in the first and second reductions followed by the 150 mm or 210 mm roll in the last reduction was the optimum strategy for both powder types. AC susceptibility testing showed that for the in situ tapes there was no correlation between the powder density and the critical temperature. For ex situ...

  8. Ferroelectric phase transition in hydrogen-bonded 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4

    CERN Document Server

    Czapla, Z; Waskowska, A

    2003-01-01

    A new crystal of 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4 has been grown and its x-ray structure and physical properties were studied. At room temperature the crystals are monoclinic, space group C2/c. The flat 2-aminopyridine cations are hydrogen bonded to the anionic [PO sub 4 ] groups. The interesting feature of the crystal structure is the three-dimensional network of hydrogen bonds including, among others, two strong, symmetrical O centre dot centre dot centre dot H, H centre dot centre dot centre dot O interactions with disordered proton locations. Symmetrically related PO sub 4 anions linked through these protons form infinite (PO sub 4) subinfinity chains along the crystal a-axis. The anomalies in the temperature dependence of the electric permittivity showed that the crystal undergoes ferroelectric phase transition at T sub c = 103.5 K. The spontaneous polarization takes place along the crystal a-axis, being parallel to the chains of the hydrogen-bonded PO sub ...

  9. Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

    Science.gov (United States)

    Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

    2017-02-01

    Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

  10. Effects of Bi-2212 addition on the levitation force properties of bulk MgB2 superconductors

    International Nuclear Information System (INIS)

    Taylan Koparan, E.; Savaskan, B.; Guner, S.B.; Celik, S.

    2016-01-01

    We present a detailed investigation of the effects of Bi 2 Sr 2 Ca 1 Cu 2 O 8+κ (Bi-2212) adding on the levitation force and magnetic properties of bulk MgB 2 obtained by hot press method. The amount of Bi-2212 was varied between 0 and 10 wt% (0, 2, 4, 6, 10 wt%) of the total MgB 2 . Moreover, we present MgB 2 bulk samples fabricated by using different production methods including hot pressing method to our knowledge. All samples were prepared by using elemental magnesium (Mg) powder, amorphous nano-boron (B) powder and Bi-2212 powder which are produced by hot press method. As a result of hot press process, compact pellet samples were manufactured. The vertical and lateral levitation force measurements were executed at the temperatures of 20, 24 and 28 K under zero-field-cooled (ZFC) and field-cooled (FC) regimes for samples with various adding levels. At 24 K and 28 K under ZFC regime, the 2 wt% Bi-2212 added sample exhibits a higher vertical levitation force than the pure sample. Bi-2212 added MgB 2 samples compared to the pure sample have lower attractive force values in FC regime. The magnetic field dependence of the critical current density J c was calculated from the M-H loops for Bi-2212 added MgB 2 samples. The 2 wt% Bi-2212 added sample has the best levitation and critical current density performance compared to other samples. The critical temperature (T c ) has slightly dropped from 37.8 K for the pure MgB 2 sample to 36.7 K for the 10 wt% of Bi-2212 added sample. The transition temperature slightly decreases when Bi-2212 adding level is increased. (orig.)

  11. The synthesis of 1,2,7,11b-Tetrahydroisoxazolo[2,3-d][1,4]benzodiazepin-6(5H)-ones and 1,3,3a,9b-tetrahydroisoxazolo[4,3-c]quinolin-4(5H)-ones

    OpenAIRE

    Heaney, Frances; Bourke, Sharon

    1995-01-01

    The reaction of various ethyl 3-[[2-(1-hydroxyiminoalkyl)phenyl]carbamoyl]acrylates (2) with electron deficient olefins proceeds via a sequential dipole formation, dipolar cycloaddition sequence to furnish the tetrahydroisoxazolo[2,3-d][1,4]benzodiazepin-6(5H)-ones and tetrahydroisoxazolo[4,3-c]quinolin-4(5H)-ones (4) and (6). The product distribution reflects the nature of the reacting olefin and the position and extent of substitution on the acrylate moiety.

  12. Pseudopotential approach to superconductivity in MgB2

    International Nuclear Information System (INIS)

    Sharma, K.S.; Bhargava, Nidhi; Jain, Ritu; Goyal, Varsha; Sharma, Ritu; Sharma, Smita

    2010-01-01

    Superconductivity in MgB 2 has been re-examined in BCS-Eliashberg framework by employing Mc-Millan's T c -equation and form factors of MgB 2 computed from the form factors of component metals (Model-I). The empty core model pseudopotential due to Ashcroft and random phase approximation form of dielectric screening due to Gellmann and Brueckner are used in the present work. An excellent agreement between the present values and other theoretically computed values of T c and with the relevant experimental data for MgB 2 confirms the validity of the present approach. The explicit dependence of λ and T c on the isotopic masses of Mg and B, as revealed from the present work, confirms the role of lattice vibrations in the superconducting behaviour of MgB 2 and the high value of T c in it may be attributed to the phonon mediated e-e interaction coupled with higher values of phonon frequencies due to light mass of B atoms. It has also been observed that the pseudo-atom model (Model-II) with appropriate choice of the potential parameter r c successfully explains high value of T c and isotope effect in MgB 2 , confirming the prominent role played by electron-phonon interaction in the high-T c superconductivity observed in MgB 2 . The isotope effect exponent α-values obtained from the two models are in complete agreement with each other and the present value α = 0.46 is also much closer to the BCS value of 0.5. Interaction strength N 0 V values obtained from the two models are also in perfect agreement with each other and the present value N 0 V = 0.48 suggests that MgB 2 is a strong coupling superconductor. (author)

  13. Stacking reactions of the borole complex Cp*Rh(η5-C4H4BPh) with the dicationic fragments [Cp*M]2+ (M = Rh or Ir)

    International Nuclear Information System (INIS)

    Loginov, D.A.; Muratov, D.V.; Starikova, Z.A.; Petrovskij, P.V.; Kudinov, A.R.

    2006-01-01

    The reaction of the (borole)rhodium iodide complex [(η-C 4 H 4 BPh)RhI] 4 with Cp*Li afforded the sandwich compound Cp*Rh(η-C 4 H 4 BPh) (1). The reactions of compound 1 with the solvated complexes [Cp*M(MeNO 2 ) 3 ] 2+ (BF 4 - ) 2 gave triple-decker cationic complexes with the central borole ligand [Cp*Rh(μ-η 5 :η 5 -C 4 H 4 BPh)MCp*] 2+ (BF 4 - ) 2 (M = Rh or Ir). The structure of complex 1 was established by X-ray diffraction [ru

  14. DNA-Binding Study of Tetraaqua-bis(p-nitrobenzoatocobalt(II Dihydrate Complex: [Co(H2O4(p-NO2C6H4COO2]·2H2O

    Directory of Open Access Journals (Sweden)

    Hacali Necefoglu

    2007-06-01

    Full Text Available The interaction of [Co(H2O4(p-NO2C6H4COO2]. 2H2O with sheep genomicDNA has been investigated by spectroscopic studies and electrophoresis measurements.The interaction between cobalt(II p-nitrobenzoate and DNA has been followed by gelelectrophoresis while the concentration of the complex was increased from 0 to 14 mM.The spectroscopic study and electrophoretic experiments support the fact that the complexbinds to DNA by intercalation via p-nitrobenzoate into the base pairs of DNA. Themobility of the bands decreased as the concentration of complex was increased, indicatingthat there was increase in interaction between the metal ion and DNA.

  15. Wetting of B4C, TiC and graphite substrates by molten Mg

    International Nuclear Information System (INIS)

    Zhang Dan; Shen Ping; Shi Laixin; Jiang Qichuan

    2011-01-01

    Highlights: → The wettability of TiC, B4C and C by molten Mg was determined using an improved sessile drop method. → A new method to evaluate the wetting behavior coupled with evaporation and reaction was proposed. → The bonding characteristics in the Mg/B4C, Mg/TiC and Mg/graphite systems were evaluated. - Abstract: The isotherm wetting of B 4 C, TiC and graphite substrates by molten Mg was studied in a flowing Ar atmosphere at 973-1173 K using an improved sessile drop method. The initial contact angles are in the ranges of 95-87 deg., 74-60 deg. and 142-124 deg., respectively, moderately depending on the temperature. All the systems are non-reactive in nature; however, the presence of impurity of free boron at the B 4 C surface gave rise to the chemical reaction with molten Mg and thus promoted the wettability to a certain degree. A new method was proposed to evaluate the wetting behavior coupled with evaporation and chemical reaction. Furthermore, based on the comparison of the work of adhesion and cohesion, the bonding in the Mg/B 4 C and Mg/TiC systems is presumably mainly chemical while that in the Mg/graphite system is physical.

  16. Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH2PtBu2)2C6H4, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH2PtBu2)2C6H4 (E = C, Si, Ge, Sn).

    Science.gov (United States)

    Brugos, Javier; Cabeza, Javier A; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego

    2018-03-26

    The non-donor-stabilized PSnP pincer-type stannylene Sn(NCH2PtBu2)2C6H4 (1) has been prepared by treating SnCl2 with Li2(NCH2PtBu2)2C6H4. All attempts to synthesize the analogous PSiP silylene by reduction of the (previously unknown) silanes SiCl2(NCH2PtBu2)2C6H4 (2), SiHCl(NCH2PtBu2)2C6H4 (3) and SiH(HMDS)(NCH2PtBu2)2C6H4 (4; HMDS = N(SiMe3)2) have been unsuccessful. The almost planar (excluding the tert-butyl groups) molecular structure of stannylene 1 (determined by X-ray crystallography) has been rationalized with the help of DFT calculations, which have shown that, in the series of diphosphanetetrylenes E(NCH2PtBu2)2C6H4 (E = C, Si, Ge, Sn), the most stable conformation of the compounds with E = Ge and Sn has both P atoms very close to the EN2C6H4 plane, near (interacting with) the E atom, whereas for the compounds with E = C and Si, both phosphane groups are located at one side of the EN2C6H4 plane and far away from the E atom. The size of the E atom and the strength of stabilizing donor-acceptor PE interactions (both increase on going down in group 14) are key factors in determining the molecular structures of these diphosphanetetrylenes. The syntheses of the chloridostannyl complexes [Rh{κ2Sn,P-SnCl(NCH2PtBu2)2C6H4}(η4-cod)] (5), [RuCl{κ2Sn,P-SnCl(NCH2PtBu2)2C6H4}(η6-cym)] (6) and [IrCl{κ2Sn,P-SnCl(NCH2PtBu2)2C6H4}(η5-C5Me5)] (7) have demonstrated the tendency of stannylene 1 to insert its Sn atom into M-Cl bonds of transition metal complexes and the preference of the resulting PSnP chloridostannyl group to act as a κ2Sn,P-chelating ligand, maintaining an uncoordinated phosphane fragment. X-ray diffraction data (of 6), 31P{1H} NMR data (of 5-7) and DFT calculations (on 6) are consistent with the existence of a weak PSn interaction involving the non-coordinated P atom of complexes 5-7, similar to that found in stannylene 1.

  17. A neodymium(III)-ammonium complex involving oxalate and carbonate ligands: (NH4)2[Nd2(C2O4)3(CO3)(H2O)].H2O.

    Science.gov (United States)

    Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée

    2002-10-01

    The title compound, diammonium aqua-mu-carbonato-tri-mu-oxalato-dineodymium(III) hydrate, (NH(4))(2)[Nd(2)(CO(3))(C(2)O(4))(3)(H(2)O)].H(2)O, involving the two ligands oxalate and carbonate, has been prepared hydrothermally as single crystals. The Nd atoms form a tetranuclear unit across the inversion centre at (1/2, 1/2, 1/2). Starting from this tetranuclear unit, the oxalate ligands serve to develop a three-dimensional network. The carbonate group acts as a bis-chelating ligand to two Nd atoms, and is monodentate to a third Nd atom. The oxalate groups are all bis-chelating. The two independent Nd atoms are ninefold coordinated and the coordination polyhedron of these atoms is a distorted monocapped antiprism.

  18. Alkali/TX[sub 2] catalysts for CO/H[sub 2] conversion to C[sub 1]-C[sub 4] alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R.G.; Richards-Babb, M.; Bastian, R.; Kieke, M.

    1993-03-01

    The objective of this research is to determine the patterns of variations of catalyst activity and selectivity for the synthesis of alcohols from H[sub 2]/CO synthesis gas. Since the source of carbon can be coal-derived synthesis gas, this research makes a contribution to the technology for high quality clean transportation fuels and for basic chemicals from coal. Catalysts prepared were principally based on MoS[sub 2], RuS[sub 2], TaS[sub 2], and NbS[sub 2]. Catalytic testing of these materials was carried out both before and after surface doping with Cs. In alcohol synthesis activation of hydrogen by the catalyst surface is essential. Knowledge of transition metal disulfide surface properties is important before the mechanism of hydrogen dissociation can be addressed. The electronic structures of MoS[sub 2], RuS[sub 2], and NbS[sub 2] were studied both theoretically and experimentally. Experimental valence bands were obtained by high resolution electron spectroscopy for chemical analysis (HR-ESCA, also referred to as x-ray photoelectron spectroscopy) and theoretical valence bands were calculated using solid state extended Hueckel theory. Comparison of two-dimensional (2-D) MoS[sub 2] theoretical valence bands with the experimental HR-ESCA valence bands of polycrystalline MoS[sub 2] led to parametrization of the S 3s, S 3p, and Mo 4d atomic ionization potentials and Slater-type coefficients and exponents. The S 3s and S 3p parameters obtained for MoS[sub 2] were used to obtain the NbS[sub 2] and RuS[sub 2] theoretical valence bands.

  19. Photoluminescence and thermoluminescence properties of Tb3+ doped K3Gd(PO4)2 nanophosphor

    International Nuclear Information System (INIS)

    Gupta, Palvi; Bedyal, A.K.; Kumar, Vinay; Khajuria, Y.; Lochab, S.P.; Pitale, S.S.; Ntwaeaborwa, O.M.; Swart, H.C.

    2014-01-01

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

  20. Investigation of fluorine adsorption on nitrogen doped MgAl_2O_4 surface by first-principles

    International Nuclear Information System (INIS)

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

    2016-01-01

    Graphical abstract: First-principles calculations indicate that MgAl_2O_4 surface is fluorine-loving, but hydrophobic. N doped MgAl_2O_4 (100) surface structure shows the highest fluorine adsorption performance and fluorine atom is more preferentially adsorbed on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: N doped MgAl_2O_4 (100) > Al_2O_3 (0001) > MgAl_2O_4 (100) > MgO (100). N doped MgAl_2O_4 is a promising candidate for fluorine removal. - Highlights: • MgAl_2O_4 surface is fluorine-loving, not hydrophilic. • Fluorine preferentially adsorbs on the Mg-Al bridge site. • Adsorption intensity follow this order: N doped MgAl_2O_4 > Al_2O_3 > MgAl_2O_4 > MgO. • Excellent adsorption performance attributes to electron compensation of N atom. • Nitrogen doped MgAl_2O_4 is a promising candidate for fluorine removal. - Abstract: The nature of fluorine adsorption on pure and N doped MgAl_2O_4 surface has been investigated by first-principles calculations based on the density functional theory. Calculated results indicate that MgAl_2O_4 surface is fluorine-loving, not hydrophilic. Nitrogen doped MgAl_2O_4 (100) surface shows the highest fluorine adsorption performance and fluorine atom preferentially adsorbs on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: Nitrogen doped MgAl_2O_4 (100) > Al_2O_3 (0001) > MgAl_2O_4 (100) > MgO (100). In-depth PDOS analysis suggested that 2p orbitals of F atom strongly hybridized with 3s- and 3p-orbitals of Al atom contribute to its high adsorption intensity. According to the analysis of Hirshfeld charge, the excellent fluorine adsorption performance of nitrogen doped MgAl_2O_4 attributes to the electron compensation effect of nitrogen atom and strong electrostatic interactions. All these evidences demonstrate a fact nitrogen doped MgAl_2O_4 is a promising candidate for fluorine removal.

  1. Photocrystallographic structure determination of a new geometric isomer of [Ru(NH3)4(H2O)(eta1-OSO)][MeC6H4SO3]2.

    Science.gov (United States)

    Bowes, Katharine F; Cole, Jacqueline M; Husheer, Shamus L G; Raithby, Paul R; Savarese, Teresa L; Sparkes, Hazel A; Teat, Simon J; Warren, John E

    2006-06-21

    The structure of a new metastable geometric isomer of [Ru(NH3)4(H2O)(SO2)][MeC6H4SO3]2 in which the SO2 group is coordinated through a single oxygen in an eta1-OSO bonding mode has been determined at 13 K; the new isomer was obtained as a 36% component of the structure within a single crystal upon irradiation using a tungsten lamp.

  2. Co-doping induced coexistence of superconductivity and ferromagnetism in Bi{sub 3.9}Co{sub 0.1}O{sub 4}S{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Chuan [Department of Physics, Shanghai University, Shanghai 200444 (China); Feng, Zhenjie, E-mail: fengzhenjie@t.shu.edu.cn [Department of Physics, Shanghai University, Shanghai 200444 (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai 200444 (China); Yin, Xunqing; Li, Qing; Kang, Baojuan [Department of Physics, Shanghai University, Shanghai 200444 (China); Lu, Bo [Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Jing, Chao; Cao, Shixun [Department of Physics, Shanghai University, Shanghai 200444 (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai 200444 (China); Zhang, Jincang [Department of Physics, Shanghai University, Shanghai 200444 (China); Materials Genome Institute, Shanghai University, Shanghai 200444 (China)

    2016-09-15

    Highlights: • Bi{sub 4}O{sub 4}S{sub 3} is a new discovered layered superconductor. Some doping effects, such as Ag, Cu, and Pb, are studied, the superconductivity is suppressed in these doping samples. We doped the Ni magnetic ions to the system, it is interesting that the superconductivity is not suppressed in x = 0.1 sample. Meanwhile, the coexistence of the superconductivity and magnetism is observed in the samples from the M-vs. –H loops. - Abstract: The effects of Co doping on the physical properties of the Bi{sub 4}O{sub 4}S{sub 3} system was studied. We discovered that stable Bi{sub 3.9}Co{sub 0.1}O{sub 4}S{sub 3} compound exhibits both long-range ferromagnetism and enhanced superconductivity with thermodynamic evidences for Tc ∼ 5.5 K. We found that there is an anomalous feature which represents superconducting transition in the hysteretic M-vs.-H loops for Bi{sub 3.9}Co{sub 0.1}O{sub 4}S{sub 3} at T = 3 K.

  3. H2SO4-HNO3-H2O ternary system in the stratosphere

    Science.gov (United States)

    Kiang, C. S.; Hamill, P.

    1974-01-01

    Estimation of the equilibrium vapor pressure over the ternary system H2SO4-HNO3-H2O to study the possibility of stratospheric aerosol formation involving HNO3. It is shown that the vapor pressures for the ternary system H2SO4-HNO3-H2O with weight composition around 70-80% H2SO4, 10-20% HNO3, 10-20% H2O at -50 C are below the order of 10 to the minus 8th mm Hg. It is concluded that there exists more than sufficient nitric acid and water vapor in the stratosphere to participate in ternary system aerosol formation at -50 C. Therefore, HNO3 should be present in stratospheric aerosols, provided that H2SO4 is also present.

  4. 4s24p3--4s4p4 and 4s24p3--4s2fp25s transitions in Y VII, Zr VIII, Nb IX, and MoX

    International Nuclear Information System (INIS)

    Reader, J.; Acquista, N.

    1981-01-01

    Spectra of ionized Y, Zr, Nb, and Mo have been observed in sliding-spark and triggered-spark discharges on 10.7-m normal- and grazing-incidence spectrographs at the National Bureau of Standards in Washington, D. C. From these observations the 4s 2 4p 3 --4s4p 4 transitions in Y VII, Zr VIII, Nb IX, and Mo X have been identified. The 4s 2 4p 3 --4s 2 4p 2 5s transitions in Y VII-Mo X, previously identified by Rahimullah et al. [Phys. Scr. 14, 221--223 (1976); 18, 96--106 (1978)], have been confirmed. In Y VII the 4s 2 4p 3 --4s 2 4p 2 6s and 4s4p 4 --4p 5 transition also have been found. The parameters obtained from least-squares fits to the energy levels are compared with Hartree--Fock calculations. Preliminary values of the ionization energies have been determined as 110.02 +- 0.15 eV for Y VII, 133.7 +- 0.5 eV for Zr VIII, 159.2 +- 0.7 eV for Nb IX, and 186.4 +- 1.2 eV for Mo X

  5. Dimethyl 2,2′-[Carbonylbis(azanediyl](2S,2S-bis[3-(4-hydroxyphenylpropanoate

    Directory of Open Access Journals (Sweden)

    Raffaella Mancuso

    2018-02-01

    Full Text Available The thus-far unknown ureic derivative dimethyl 2,2′-[carbonylbis(azanediyl](2S,2S-bis[3-(4-hydroxyphenylpropanoate] has been efficiently synthesized by enantiospecific oxidative carbonylation of readily available l-tyrosine methyl ester, using a very simple catalytic system (PdI2 in conjunction with KI under relatively mild conditions (100 °C for 5 h in DME as the solvent and under 20 atm of a 4:1 mixture CO-air.

  6. (E-4-(2,5-Dimethoxybenzylidene-2-phenyl-1,3-oxazol-5(4H-one

    Directory of Open Access Journals (Sweden)

    Abdullah Mohamed Asiri

    2009-08-01

    Full Text Available The central azalactone ring in the title compound, C18H15NO4, is planar (r.m.s. deviation 0.05, 0.12 Å in both independent molecules comprising the asymmetric unit. The benzylidene substituent is coplanar with this ring [dihedral angle between the planes = 1.8 (1° in the first molecule and 2.8 (1° in the second], as is the phenyl substitutent [dihedral angle between rings = 4.6 (1 and 9.7 (1°, respectively].

  7. Effects of MgO impurities and micro-cracks on the critical current density of Ti-sheathed MgB2 wires

    International Nuclear Information System (INIS)

    Liang, G.; Alessandrini, M.; Yen, F.; Hanna, M.; Fang, H.; Hoyt, C.; Lv, B.; Zeng, J.; Salama, K.

    2007-01-01

    Ti-sheathed monocore MgB 2 wires with improved magnetic critical current density (J c ) have been fabricated by in situ powder-in-tube (PIT) method and characterized by magnetization, X-ray diffraction, scanning electron microscopy and electrical resistivity measurements. For the best wire, the magnetic J c values at 5 K and fields of 2 T, 5 T, and 8 T are 4.1 x 10 5 A/cm 2 , 7.8 x 10 4 A/cm 2 , and 1.4 x 10 4 A/cm 2 , respectively. At 20 K and fields of 0.5 T and 3 T, the J c values are about 3.6 x 10 5 A/cm 2 and 3.1 x 10 4 A/cm 2 , respectively, which are much higher than those of the Fe-sheathed mono-core MgB 2 wires fabricated with the same in situ PIT process and under the same fabricating conditions. It appears that the overall J c for the average Ti-sheathed wires is comparable to that of the Fe-sheathed wires. Our X-ray diffraction and scanning electron microscopy analysis indicates that J c in the Ti-sheathed MgB 2 wires can be strongly suppressed by MgO impurities and micro-cracks

  8. 4,4′-Bipyridinium bis(perchlorate–4-aminobenzoic acid–4,4′-bipyridine–water (1/4/2/2

    Directory of Open Access Journals (Sweden)

    Qun-Hui Meng

    2009-01-01

    Full Text Available In the structure of the title compound, C10H10N22+·2ClO4−·4C7H7NO2·2C10H8N2·2H2O, the 4,4′-bipyridinium cation has a crystallographically imposed centre of symmetry. The cation is linked by N—H...N hydrogen bonds to adjacent 4,4′-bipyridine molecules, which in turn interact via O—H...N hydrogen bonds with 4-aminobenzoic acid molecules, forming chains running parallel to [30overline{2}]. The chains are further connected into a three-dimensional network by N—H...O and O—H...O hydrogen-bonding interactions involving the perchlorate anion, the water molecules and the 4-aminobenzoic acid molecules. In addition, π–π stacking interactions with centroid–centroid distances ranging from 3.663 (6 to 3.695 (6 Å are present. The O atoms of the perchlorate anion are disordered over two sets of positions, with refined site occupancies of 0.724 (9 and 0.276 (9.

  9. Characterization of double Shockley-type stacking faults formed in lightly doped 4H-SiC epitaxial films

    Science.gov (United States)

    Yamashita, T.; Hayashi, S.; Naijo, T.; Momose, K.; Osawa, H.; Senzaki, J.; Kojima, K.; Kato, T.; Okumura, H.

    2018-05-01

    Double Shockley-type stacking faults (2SSFs) formed in 4H-SiC epitaxial films with a dopant concentration of 1.0 × 1016 cm-3 were characterized using grazing incident X-ray topography and high-resolution scanning transmission electron microscopy. The origins of 2SSFs were investigated, and it was found that 2SSFs in the epitaxial layer originated from narrow SFs with a double Shockley structure in the substrate. Partial dislocations formed between 4H-type and 2SSF were also characterized. The shapes of 2SSFs are related with Burgers vectors and core types of the two Shockley partial dislocations.

  10. Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

    Science.gov (United States)

    Wildner, M.; Marinova, D.; Stoilova, D.

    2016-02-01

    The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

  11. Crystal structure, quantum mechanical investigation, IR and NMR spectroscopy of two new organic perchlorates: (C6H18N3)·(ClO4)3H2O (I) and (C9H11N2)·ClO4(II)

    Science.gov (United States)

    Bayar, I.; Khedhiri, L.; Soudani, S.; Lefebvre, F.; Ferretti, V.; Ben Nasr, C.

    2018-06-01

    The reaction of perchloric acid with 1-(2-aminoethyl)piperazine or 5,6-dimethyl-benzimidazole results in the formation of 1-(2-amonioethyl)piperazine-1,4-dium triperchlorate hydrate (C6H18N3)·(ClO4)3·H2O (I) or 5,6-dimethyl-benzylimidazolium perchlorate (C9H11N2)·ClO4(II). Both compounds were fully structurally characterized including single crystal X-ray diffraction analysis. Compound (I) crystallizes in the centrosymmetric triclinic space group P 1 bar with the lattice parameters a = 7.455 (2), b = 10.462 (2), c = 10.824 (2) Å, α = 80.832 (2), β = 88.243 (2), γ = 88.160 (2) °, Z = 2 and V = 832.77 (3) Å3. Compound (II) has been found to belong to the P21/c space group of the monoclinic system, with a = 7.590 (3), b = 9.266 (3), c = 16.503 (6) Å, β = 107.38 (2) °, V = 1107.69 (7) Å3 and Z = 4. The structures of (I) and (II) consist of slightly distorted [ClO4]- tetrahedra anions and 1-(2-amonioethyl)piperazine-1,4-dium trication (I) or 5,6-dimethyl-benzylimidazolium cations (II) and additionally a lattice water in (I). The crystal structures of (I) and (II) exhibit complex three-dimensional networks of H-bonds connecting all their components. In the atomic arrangement of (I), the ClO4- anions form corrugated chains, while in (II) the atomic arrangement exhibits wide pseudo-hexagonal channels of ClO4 tetrahedra including the organic entities. The lattice water serves as a link between pairs of cations and pairs of anions via several Osbnd H⋯O and N-H⋯O interactions in compound (I). The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid-state 13C, 35Cl and 15N NMR spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived.

  12. Poly[[diaquabis(μ2-4,4′-bipyridinemanganese(II] bis[2-(2-carboxyphenyldisulfanylbenzoate

    Directory of Open Access Journals (Sweden)

    Shao-Ming Fang

    2009-05-01

    Full Text Available The title complex, {[Mn(C10H8N22(H2O2](C14H9O4S22}n, contains an octahedrally coordinated MnII cation and 2-(2-carboxyphenyldisulfanylbenzoate anions. The MnII center is situated on a crystallographic center of inversion and is coordinated by four 4,4′-bipyridine (4,4′-bipy ligands and two water molecules. The 4,4′-bipy ligands act as bridging ligands, producing a fishing-net-like two-dimensional framework. In the crystal structure, this positively charged framework is charge balanced by 2-(2-carboxyphenyldisulfanylbenzoate anions that form a separate anionic two-dimensional framework via intermolecular O—H...O hydrogen bonds and C—H...π stacking interactions. Additional intermolecular O—H...O hydrogen bonds link the cationic and anionic frameworks to form the three-dimensional crystal structure.

  13. Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2H2O and C2H4H2O complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

    2017-01-01

    an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen...

  14. Pentacarbonyl-1κ2C,2κ3C-[(diphenylphosphoryldiphenylphosphane-1κP]-μ-ethane-1,2-dithiolato-1:2κ4S,S′:S,S′-diiron(I(Fe—Fe

    Directory of Open Access Journals (Sweden)

    Xu-Feng Liu

    2011-11-01

    Full Text Available The dinuclear title compound, [Fe2(C2H4S2(C24H20OP2(CO5] or (μ-SCH2CH2S-μFe2(CO5[Ph2PP(OPh2], contains a butterfly-shaped Fe2S2 core in which the Fe...Fe separation is 2.5275 (6 Å. One of the Fe atoms is also coordinated to three carbonyl ligands and the other to two carbonyl ligands and one phosphane ligand [Ph2PP(OPh2]. Both Fe-atom geometries could be described as grossly distorted octahedral and the Ph2PP(OPh2 ligand lies trans to the Fe...Fe link.

  15. H{sub 2}-Ar dilution for improved c-Si quantum dots in P-doped SiN{sub x}:H thin film matrix

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jia [Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Zhang, Weijia, E-mail: zwjghx@126.com [Center of Condensed Matter and Material Physics, School of Physics and Nuclear Energy Engineering, Beihang University, Beijing, 100191 (China); Liu, Shengzhong, E-mail: szliu@dicp.ac.cn [Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); State key Laboratory of Catalysis, iChEM, Dalian Institute of Chemical Physics, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

    2017-02-28

    Highlights: • Phosphorous-doped SiN{sub x}:H thin films containing c-Si QDs were prepared by PECVD in H{sub 2}-Ar mixed dilution under low temperature. • QD density and QD size can be controlled by tuning H{sub 2}/Ar flow ratio. • The sample prepared at the H{sub 2}/Ar flow ratio of 100/100 possesses both wide band gap and excellent conductivity. • Detail discussion has been presented for illustrating the influence of H{sub 2}/Ar mixed dilution on the crystallization process and P-doping. - Abstract: Phosphorus-doped hydrogenated silicon nitride (SiN{sub x}:H) thin films containing crystalline silicon quantum dot (c-Si QD) was prepared by plasma enhanced chemical vapor deposition (PECVD) using hydrogen-argon mixed dilution. The effects of H{sub 2}/Ar flow ratio on the structural, electrical and optical characteristics of as-grown P-doped SiN{sub x}:H thin films were systematically investigated. Experimental results show that crystallization is promoted by increasing the H{sub 2}/Ar flow ratio in dilution, while the N/Si atomic ratio is higher for thin film deposited with argon-rich dilution. As the H{sub 2}/Ar flow ratio varies from 100/100 to 200/0, the samples exhibit excellent conductivity owing to the large volume fraction of c-Si QDs and effective P-doping. By adjusting the H{sub 2}/Ar ratio to 100/100, P-doped SiN{sub x}:H thin film containing tiny and densely distributed c-Si QDs can be obtained. It simultaneously possesses wide optical band gap and high dark conductivity. Finally, detailed discussion has been made to analyze the influence of H{sub 2}-Ar mixed dilution on the properties of P-doped SiN{sub x}:H thin films.

  16. In situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy.

    Science.gov (United States)

    Sahle, Christoph J; Kujawski, Simon; Remhof, Arndt; Yan, Yigang; Stadie, Nicholas P; Al-Zein, Ali; Tolan, Metin; Huotari, Simo; Krisch, Michael; Sternemann, Christian

    2016-02-21

    We present an in situ study of the thermal decomposition of Mg(BH4)2 in a hydrogen atmosphere of up to 4 bar and up to 500 °C using X-ray Raman scattering spectroscopy at the boron K-edge and the magnesium L2,3-edges. The combination of the fingerprinting analysis of both edges yields detailed quantitative information on the reaction products during decomposition, an issue of crucial importance in determining whether Mg(BH4)2 can be used as a next-generation hydrogen storage material. This work reveals the formation of reaction intermediate(s) at 300 °C, accompanied by a significant hydrogen release without the occurrence of stable boron compounds such as amorphous boron or MgB12H12. At temperatures between 300 °C and 400 °C, further hydrogen release proceeds via the formation of higher boranes and crystalline MgH2. Above 400 °C, decomposition into the constituting elements takes place. Therefore, at moderate temperatures, Mg(BH4)2 is shown to be a promising high-density hydrogen storage material with great potential for reversible energy storage applications.

  17. Structure elucidation of 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C23H18Cl2N4OS from synchrotron X-ray powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betül

    2017-12-01

    The 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C23H18Cl2N4OS compound was synthesized, as a member of the family of novel potential anticancer agents. The structure of the title compound was characterized by IR,1H-NMR, mass spectroscopy, and elemental analysis, previously. In this study, the crystal structure of this compound has been determined from synchrotron X-ray powder diffraction data. The crystal structure was solved by simulated annealing and the final structure was achieved by Rietveld refinement method using soft restrains on all interatomic bond lengths and angles. This compound crystallizes in space groupP21,Z= 2, with the unit-cell parametersa= 15.55645(11) Å,b= 8.61693(6) Å,c= 8.56702(6) Å,β= 104.3270(4)°, andV= 1112.68(1) Å3. In the crystal structure, strong C-H∙∙∙πand weak intermolecular hydrogen-bonding interactions link the molecules into a three-dimensional network. The molecules are in a head-to-head arrangement in the unit cell.

  18. Synthesis, crystal structure and magnetic properties of [Cu(mal(abpt(H2O].3/2H2O and [Cu2(sq(abpt 2].2H2O (mal = malonate, sq = squarate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole

    Directory of Open Access Journals (Sweden)

    Eno A. Ededet

    2011-04-01

    Full Text Available Two new mixed-ligand complexes of formula [Cu(mal(abpt(H2O].3/2H2O (1 and [Cu2(sq(abpt2].2H2O (2 [mal = malonate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole and sq = squarate], have been prepared and characterized by X-ray crystal structure determination and magnetic studies. Complex 1 crystallizes in the monoclinic system, space group C2/c, with a = 14.0086(2 Å, b = 10.0980(2 Å, c = 25.630(4 Å; β = 97.5900(10 o, and Z = 8. Complex 2 crystallizes in the triclinic system, space group P-1 with a = 7.5696(15 Å, b = 8.4697(17 Å, c = 11.049(2 Å; β = 93.00(3o, α = 96.98(3, γ = 90.111(3 and Z = 1. Complex 1 consist of a neutral mononuclear [Cu(mal(abpt(H2O] unit and water molecule of crystallization in a distorted square pyramidal coordination sphere, while complex 2 is viewed as being made up of [Cu(sq(abpt2] units with the squarato ligand bridging the two copper(II cations. Variable temperature magnetic behaviour of the complexes reveals the existence of weak antiferromagnetic interaction for complex 1 and weak ferromagnetic intrachain interaction for complex 2.

  19. Facile synthesis technology of Li_3V_2(PO_4)_3/C adding H_2O_2 in ball mill process

    International Nuclear Information System (INIS)

    Min, Xiujuan; Mu, Deying; Li, Ruhong; Dai, Changsong

    2016-01-01

    Highlights: • Sintering time of Li_3V_2(PO_4)_3 reduced to 6 hours by adding hydrogen peroxide. • Electrochemical performance of Li_3V_2(PO_4)_3 was improved by reducing sintering time. • The Li_3V_2(PO_4)_3 production process was simplified during material synthesis stage. - Abstract: Li_3V_2(PO_4)_3/C has stable structure, high theory specific capacity and good safety performance, therefore it has become the research focus of lithium-ion batteries in recent years. The facile synthesis technology of Li_3V_2(PO_4)_3/C was characterized by adding different amounts of H_2O_2. Structure and morphology characteristics were examined by XRD, TG, Raman Spectroscopy, XPS and SEM. Electrochemical performance was investigated by constant current charging and discharging test. The results revealed that the Li_3V_2(PO_4)_3/C electrochemical performance of adding 15 mL H_2O_2 was better after sintering during 6 h. At the charge cut-off voltage of 4.3 V, the first discharge capacity at 0.2 C rate reached 127 mAh g"−"1. Because of adding H_2O_2 in the ball-mill dispersant, the vanadium pentoxide formed the wet sol. The molecular-leveled mixture increased the homogeneity of raw materials. Therefore, the addition of H_2O_2 shortened the sintering time and significantly improved the electrochemical performance of Li_3V_2(PO_4)_3/C.

  20. Synthesis and crystal structure of a new homoleptic tetraarylruthenium(IV) complex Ru(2,4,5-Me{sub 3}C{sub 6}H{sub 2}){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chang-Jiu; Wu, Xiu-Li; Ma, Xiu-Fang; 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 [Ru(acac){sub 3}] (acac-=acetylacetonate) with (2,4,5-Me{sub 3}C{sub 6}H{sub 2})MgBr, followed by column chromatography in air, afforded the homoleptic tetraaryl-ruthenium(IV) complex [Ru(2,4,5-Me{sub 3}C{sub 6}H{sub 2}){sub 4}] (1) in moderate yield. The product was characterized by proton NMR spectroscopy and microanalyses. Its crystal structure has also been established by X-ray crystallography.

  1. Luminescence Characteristics of ZnGa2O4 Thick Film Doped with Mn2+ and Cr3+ at Various Sintering Temperatures

    Science.gov (United States)

    Cha, Jae Hyeok; Kim, Kyung Hwan; Park, Yong Seo; Kwon, Sang Jik; Choi, Hyung Wook

    2007-10-01

    ZnGa2O4 phosphor separately doped with Mn2+ and Cr3+ was synthesized by solid-state reaction, and thick films were deposited by screen printing. The X-ray diffraction (XRD) patterns of ZnGa2O4 phosphor thick films show a (311) main peak and a spinal phase. Uniform distribution and filled morphology of the doped ZnGa2O4 phosphor thick films were formed at the sintering temperature of 1100 °C. The CL spectrum of Mn2+-doped ZnGa2O4 shows the main peak of 512 nm green emission with the 4T1→6A1 transition of Mn2+ ions and the CL spectrum of Cr3+-doped ZnGa2O4 shows the main peak of 716 nm red emission with the 2E→4A2 transition of Cr3+ ions.

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

    Science.gov (United States)

    Millini, Roberto; Carati, Angela

    1995-08-01

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

  3. Very high upper critical fields in MgB2 produced by selective tuning of impurity scattering

    International Nuclear Information System (INIS)

    Gurevich, A; Patnaik, S; Braccini, V; Kim, K H; Mielke, C; Song, X; Cooley, L D; Bu, S D; Kim, D M; Choi, J H; Belenky, L J; Giencke, J; Lee, M K; Tian, W; Pan, X Q; Siri, A; Hellstrom, E E; Eom, C B; Larbalestier, D C

    2004-01-01

    We report a significant enhancement of the upper critical field H c2 of different MgB 2 samples alloyed with nonmagnetic impurities. By studying films and bulk polycrystals with different resistivities ρ, we show a clear trend of an increase in H c2 as ρ increases. One particular high resistivity film had a zero-temperature H c2 (0) well above the H c2 values of competing non-cuprate superconductors such as Nb 3 Sn and Nb-Ti. Our high-field transport measurements give record values H c2 perp (0) ∼ 34 T and H c2 par (0) ∼ 49 T for high resistivity films and H c2 (0) ∼ 29 T for untextured bulk polycrystals. The highest H c2 film also exhibits a significant upward curvature of H c2 (T) and a temperature dependence of the anisotropy parameter γ(T)=H c2 par / H c2 opposite to that of single crystals: γ(T) decreases as the temperature decreases, from γ(T c ) ∼ 2 γ(0) ∼ 1.5. This remarkable H c2 enhancement and its anomalous temperature dependence are a consequence of the two-gap superconductivity in MgB 2 , which offers special opportunities for further H c2 increases by tuning of the impurity scattering by selective alloying on Mg and B sites. Our experimental results can be explained by a theory of two-gap superconductivity in the dirty limit. The very high values of H c2 (T) observed suggest that MgB 2 can be made into a versatile, competitive high-field superconductor

  4. The effect of copper additions in the synthesis of in situ MgB2 Cu-sheathed wires

    International Nuclear Information System (INIS)

    Woźniak, M.; Hopkins, S.C.; Gajda, D.; Glowacki, B.A.

    2012-01-01

    The powder-in-tube (PIT) technique has been used to fabricate copper-sheathed magnesium diboride (MgB 2 ) wires using an insitu reaction method. The effect of copper powder additions, magnesium-boron molar ratio and heat treatment is studied by SEM, XRD, transport critical current I c (B) and resistivity ρ(T, B) measurements. The results show that addition of copper powder to the core of the wire accelerates the formation of MgB 2 and hence increases its amount and greatly decreases the amount of Mg-Cu intermetallic phases present in the core of the wire after heat treatment. Excess magnesium proved to be effective in compensating for Mg loss due to interdiffusion with the Cu of the wire sheath and resulted in less unreacted boron in the core for wires without added Cu, but seems to oppose the accelerated formation of MgB 2 in Cu added wires. The highest critical current density, 2.8 × 10 4 A cm -2 at 3 T and 4.2 K, was achieved for a wire with a stoichiometric Mg:B ratio and 3 at.% added copper powder heat treated at 700 °C for 5 min.

  5. Spectroscopic characterization of a single dangling bond on a bare Si(100)- c ( 4 × 2 ) surface for n - and p -type doping

    KAUST Repository

    Mantega, M.

    2012-07-19

    We investigate the charging state of an isolated single dangling bond formed on an unpassivated Si(100) surface with c(4×2) reconstruction, by comparing scanning tunneling microscopy and spectroscopy analysis with density functional theory calculations. The dangling bond is created by placing a single hydrogen atom on the bare surface with the tip of a scanning tunneling microscope. The H atom passivates one of the dimer dangling bonds responsible for the surface one-dimensional electronic structure. This leaves a second dangling at the reacted surface dimer which breaks the surface periodicity. We consider two possible H adsorption configurations for both the neutral and the doped situation (n- and p-type). In the case of n-doping we find that the single dangling bond state is doubly occupied and the most stable configuration is that with H bonded to the bottom Si atom of the surface dimer. In the case of p-doping the dangling bond is instead empty and the configuration with the H attached to the top atom of the dimer is the most stable. Importantly the two configurations have different scattering properties and phase shift fingerprints. This might open up interesting perspectives for fabricating a switching device by tuning the doping level or by locally charging the single dangling bond state. © 2012 American Physical Society.

  6. Spectroscopic characterization of a single dangling bond on a bare Si(100)- c ( 4 × 2 ) surface for n - and p -type doping

    KAUST Repository

    Mantega, M.; Rungger, I.; Naydenov, B.; Boland, J. J.; Sanvito, S.

    2012-01-01

    We investigate the charging state of an isolated single dangling bond formed on an unpassivated Si(100) surface with c(4×2) reconstruction, by comparing scanning tunneling microscopy and spectroscopy analysis with density functional theory calculations. The dangling bond is created by placing a single hydrogen atom on the bare surface with the tip of a scanning tunneling microscope. The H atom passivates one of the dimer dangling bonds responsible for the surface one-dimensional electronic structure. This leaves a second dangling at the reacted surface dimer which breaks the surface periodicity. We consider two possible H adsorption configurations for both the neutral and the doped situation (n- and p-type). In the case of n-doping we find that the single dangling bond state is doubly occupied and the most stable configuration is that with H bonded to the bottom Si atom of the surface dimer. In the case of p-doping the dangling bond is instead empty and the configuration with the H attached to the top atom of the dimer is the most stable. Importantly the two configurations have different scattering properties and phase shift fingerprints. This might open up interesting perspectives for fabricating a switching device by tuning the doping level or by locally charging the single dangling bond state. © 2012 American Physical Society.

  7. Synthesis and pharmacological properties of new derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones.

    Science.gov (United States)

    Sladowska, Helena; Sabiniarz, Aleksandra; Sapa, Jacek; Filipek, Barbara

    2009-01-01

    Synthesis of 2-(2-hydroxy-3-amino)propyl derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones (24-35) is described. The chlorides used in the above synthesis exist mainly in the cyclic forms (18, 20-23). Only chloride with benzhydryl substituent at the nitrogen atom of piperazine has the chain structure (19). Among the studied imides the most active analgesics in the "writhing" syndrome test proved to be compounds 30 and 31 (with LD50 > 2000 mg/kg) containing 4-benzylpiperidino group. Furthermore, all imides suppressed significantly spontaneous locomotor activity of mice.

  8. Synthesis of 4-Triazolylamino- and 4-Benzothiazolylamino-3-nitro-2H-[1]-Benzopyran-2-ones and their Antimicrobial Activity

    OpenAIRE

    Ramiz Hoti; Aferdita Nura-Lama; Gjyle Mulliqi-Osmani; Naser Troni; Fatbardh Gashi; Hamit Ismaili; Veprim Thaci

    2014-01-01

    Novel substituted benzopyran-2-one derivatives were synthesized by catalytic condensation reactions under reflux conditions. 4-(1,2,4-Triazolyl-3-amino)-3-nitro-2H-[1]-benzopyran-2-ones 4(a-b) were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2) and corresponding 3-aminotriazoles 3(a-b). 4-(4’-methoxy-2-benzothiazolylamino)-3-nitro-2H-[1]-benzopyran-2-one (4c), 4-(6’-nitro-2-benzothiazolylamino)-3-nitro-2H-[1]-benzopyiran-2-one (4d) and 4-(6’-fluoro-2-benzothiazoly...

  9. Enhanced photocatalytic property of hybrid graphitic C3N4 and graphitic ZnO nanocomposite: the effects of interface and doping

    Science.gov (United States)

    Cui, Jie; Liang, Shuhua; Sun, Shaodong; Zheng, Xing; Zhang, Jianmin

    2018-05-01

    Using first-principles calculations, we present a potential new way to improve the photocatalytic efficiency of the g-C3N4 sheet by coupling with the g-ZnO sheet to form heterojunction nanostructure followed by the addition of N atom at an atomic level. The result indicates the g-C3N4/g-ZnO heterojunction is a staggered band alignment (type II) structure and a polarized field is generated by the electrons transfer across the interface simultaneously, which facilitate the separation of e‑–h+ pairs and promote the photocatalytic activity. Furthermore, a great difference in energy levels between redox potentials and band edges of the C3N4/g-ZnO nanocomposite ensures that the water splitting/CO2 reduction reaction is energetically favored. In addition, through the incorporation of nitrogen dopant, the g-C3N4/N-g-ZnO nanocomposite displays desirable properties. The N-derived doping peak causes a decrease of the band gap width of the g-C3N4/g-ZnO nanocomposite, resulting in the enhanced optical absorption from UV into visible light. This theoretical predictions provide insightful outlooks in understanding the effects of interface and doping on the enhanced photocatalytic property of the g-C3N4/g-ZnO nanocomposites, which will assist in engineering highly efficient g-C3N4-based photocatalysts.

  10. Phase Composition and Long-Term Conductivity of Acceptor Doped Ce(PO3)4 and CeP2O7 with Variable P/Metal Ratio and of CeP2O7-KH2PO4 Composite

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Hallinder, Jonathan; Lapina, Alberto

    2013-01-01

    The thermal evolution of the phase composition of CeP2O7 and Ce(PO3)4 with 10 mol% Y and Gd doping, respectively, was examined by in-situ powder X-ray diffraction and thermogravimetry with in-line mass spectroscopy. The phase composition depends critically on the P to metal ratio, the annealing...... temperature, humidity and time. CeP2O7 and Ce(PO3)4 were completely decomposed to CePO4 following a 1100 h long conductivity test at 155°C. The conductivity of 10 mol% Gd doped Ce(PO3)4 (synthesized with P:(Ce + Gd) = 5.0) reaches a value of 6.4·10−2 S·cm−1 at 150°C under wet conditions (pH2O = 0.2 atm...

  11. Theoretical estimates of the anapole magnetizabilities of C{sub 4}H{sub 4}X{sub 2} cyclic molecules for X=O, S, Se, and Te

    Energy Technology Data Exchange (ETDEWEB)

    Pagola, G. I.; Ferraro, M. B. [Departamento de Física, Facultad de Ciencias Exactas y Naturales, and IFIBA, CONICET, Universidad de Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires (Argentina); Provasi, P. F. [Departamento de Física, Northeastern University, Av. Libertad 5500, W3400 AAS, Corrientes (Argentina); Pelloni, S.; Lazzeretti, P., E-mail: lazzeret@unimo.it [Dipartimento di Chimica, Università degli Studi di Modena e Reggio Emilia, via G. Campi 183, 41100 Modena (Italy)

    2014-09-07

    Calculations have been carried out for C{sub 4}H{sub 4}X{sub 2} cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C=∇×B, is rationalized via a second-rank anapole magnetizability tensor a{sub αβ}, defined as minus the second derivative of the second-order interaction energy with respect to the components C{sub α} and B{sub β}. The average anapole magnetizability a{sup ¯} equals −χ{sup ¯}, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χ{sub α,βγ}. It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole A{sub α}, having the same magnitude, but opposite sign, for two enantiomorphs.

  12. Novel 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives: a patent review (2008 - 2011).

    Science.gov (United States)

    Ferreira, Vitor F; da Rocha, David R; da Silva, Fernando C; Ferreira, Patrícia G; Boechat, Núbia A; Magalhães, Jorge L

    2013-03-01

    The triazoles represent a class of five-membered heterocyclic compounds of great importance for the preparation of new drugs with diverse biological activities because they may present several structural variations with the same numbers of carbon and nitrogen atoms. Due to the success of various triazoles that entered the pharmaceutical market and are still being used in medicines, many companies and research groups have shown interest in developing new methods of synthesis and biological evaluation of potential uses for these compounds. In this review, the authors explored aspects of patents for the 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole families, including prototypes being considered in clinical studies between 2008 and 2011. The triazoles have been studied for over a century as an important class of heterocyclic compounds and still attract considerable attention due to their broad range of biological activities. More recently, there has been considerable interest in the development of novel triazoles with anti-inflammatory, antiplatelet, antimicrobial, antimycobacterial, antitumoral and antiviral properties and activity against several neglected diseases. This review emphasizes recent perspective and advances in the therapeutically active 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivative patents between 2008 and 2011, covering the development of new chemical entities and new pharmaceuticals. Many studies have focused on these compounds as target structures and evaluated them in several biological targets. The preparation of 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives brings to light several issues. There is a need to find new, more efficient preparations for these triazoles that take into consideration current issues in green chemistry, energy saving and sustainability. New diseases are discovered and new viruses and bacteria continue to challenge mankind, so it is imperative to find new prototypes for these

  13. 4-(Prop-2-yn-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

    Directory of Open Access Journals (Sweden)

    Mohamed El Hafi

    2017-10-01

    Full Text Available The asymmetric unit of the title compound, C8H6N4S, consists of two independent molecules differing in the orientation of the side chain. In the crystal, molecules form dimers through N—H...N hydrogen bonds. The dimers stack along the a-axis direction with weak π–π stacking interactions [centroid–centroid distances of 3.898 (2 and 3.908 (2 Å]. The crystal studied was refined as a two-component twin.

  14. Blue luminescence in Tm3+-doped KGd(WO4)2 single crystals

    International Nuclear Information System (INIS)

    Gueell, F.; Mateos, X.; Gavalda, Jna.; Sole, R.; Aguilo, M.; Diaz, F.; Massons, J.

    2004-01-01

    Up-conversion blue emissions of trivalent thulium ions in monoclinic KGd(WO 4 ) 2 single crystals at 454 and 479 nm are reported for a single pump laser source at 688 nm. We grew thulium-doped KGd(WO 4 ) 2 single crystals at several concentrations from 0.1% to 10%. We recorded a polarized optical absorption spectrum for the 3 F 2 + 3 F 3 energy levels of thulium at room temperature and low temperature (6 K). From the low temperature emission spectra we determined the splitting of the 3 H 6 ground state. The blue emissions are characterized as a function of the dopant concentration and temperature from 10 K to room temperature. To our knowledge, this is the first time that sequential two-photon excitation process (STEP) generated blue emissions in thulium-doped single crystals with a single excitation wavelength

  15. Thermoluminescence and radioluminescence properties of tissue equivalent Cu-doped Li2B4O7 for radiation dosimetry

    International Nuclear Information System (INIS)

    Cruz Z, E.; Furetta, C.; Marcazzo, J.; Santiago, M.; Guarneros, C.; Pacio, M.; Palomino, R.

    2015-10-01

    Thermoluminescence (Tl) and radioluminescence (Rl) properties of lithium tetraborate (Li 2 B 4 O 7 ) doped with different concentration of copper (0.25, 0.5, 1 wt %) under gamma and beta irradiation has been investigated. The feasibility of using this borate in radiation dosimetry at low doses has been evaluated. Tissue equivalent Li 2 B 4 O 7 was prepared by solid state reaction using mixing stoichiometric compositions of lithium carbonate (Li 2 CO 3 ) and boric acid (H 3 BO 3 ) and a solution of CuCl 2 as dopant. The glow curve, of the most efficient copper doped borate (Li 2 B 4 O 7 :Cu 0.5 wt %), shows a main stable peak centered at 225 degrees C and a second low temperature peak centered at 80 degrees C. The low temperature peak disappears completely after 24 hours of storage in darkness and at room temperature or after an annealing at 120 degrees C for 10 seconds. The main peak of the Li 2 B 4 O 7 :Cu remains constant. The Tl response of Li 2 B 4 O 7 :Cu shows good linearity in the analyzed dose range. The stability and repeatability of Rl signals of the borate have been studied and the Li 2 B 4 O 7 :Cu (0.5 wt %) shown the higher Rl emission and a stable and repetitive response. Results show that Li 2 B 4 O 7 :Cu has prospects to be used in gamma and beta radiation dosimetry. (Author)

  16. Investigation of H2S separation from H2S/CH4 mixtures using functionalized and non-functionalized vertically aligned carbon nanotube membranes

    Science.gov (United States)

    Gilani, Neda; Towfighi, Jafar; Rashidi, Alimorad; Mohammadi, Toraj; Omidkhah, Mohammad Reza; Sadeghian, Ahmad

    2013-04-01

    Separation of H2S from binary mixtures of H2S/CH4 using vertically aligned carbon nanotube membranes fabricated in anodic aluminum oxide (AAO) template was studied experimentally. Carbon nanotubes (CNTs) were grown in five AAO templates with different pore diameters using chemical vapor deposition, and CNT/AAO membranes with tubular carbon nanotube structure and open caps were selected for separation of H2S. For this, two tubular CNT/AAO membranes were fabricated with the CNT inner diameters of 23 and 8 nm. It was found that permeability and selectivity of the membrane with inner diameter of 23 nm for CNT were independent of upstream feed pressure and H2S feed concentration unlike that of CNT having an inner diameter of 8 nm. Selectivity of these membranes for separation of H2S was obtained in the ranges of 1.36-1.58 and 2.11-2.86, for CNTs with internal diameters of 23 and 8 nm, respectively. In order to enhance the separation of H2S from H2S/CH4 mixtures, dodecylamine was used to functionalize the CNT/AAO membrane with higher selectivity. The results showed that for amido-functionalized membrane, both upstream feed pressure and H2S partial pressure in the feed significantly increased H2S permeability, and selectivity for H2S being in the range of 3.0-5.57 respectively.

  17. Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

    Directory of Open Access Journals (Sweden)

    Zheng Huang

    2015-09-01

    Full Text Available We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature, indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.

  18. Synthesis and electrochemical properties of Co-doped Li3V2(PO4)3 cathode materials for lithium-ion batteries

    International Nuclear Information System (INIS)

    Kuang Quan; Zhao Yanming; An Xiaoning; Liu Jianmin; Dong Youzhong; Chen Ling

    2010-01-01

    Co-doped Li 3 V 2-x Co x (PO 4 ) 3 /C (x = 0.00, 0.03, 0.05, 0.10, 0.13 or 0.15) compounds were prepared via a solid-state reaction. The Rietveld refinement results indicated that single-phase Li 3 V 2-x Co x (PO 4 ) 3 /C (0 ≤ x ≤ 0.15) with a monoclinic structure was obtained. The X-ray photoelectron spectroscopy (XPS) analysis revealed that the cobalt is present in the +2 oxidation state in Li 3 V 2-x Co x (PO 4 ) 3 . XPS studies also revealed that V 4+ and V 3+ ions were present in the Co 2+ -doped system. The initial specific capacity decreased as the Co-doping content increased, increasing monotonically with Co content for x > 0.10. Differential capacity curves of Li 3 V 2-x Co x (PO 4 ) 3 /C compounds showed that the voltage peaks associated with the extraction of three Li + ions shifted to higher voltages with an increase in Co content, and when the Co 2+ -doping content reached 0.15, the peak positions returned to those of the unsubstituted Li 3 V 2 (PO 4 ) 3 phase. For the Li 3 V 1.85 Co 0.15 (PO 4 ) 3 /C compound, the initial capacity was 163.3 mAh/g (109.4% of the initial capacity of the undoped Li 3 V 2 (PO 4 ) 3 ) and 73.4% capacity retention was observed after 50 cycles at a 0.1 C charge/discharge rate. The doping of Co 2+ into V sites should be favorable for the structural stability of Li 3 V 2-x Co x (PO 4 ) 3 /C compounds and so moderate the volume changes (expansion/contraction) seen during the reversible Li + extraction/insertion, thus resulting in the improvement of cell cycling ability.

  19. Protection of White Leghorn chickens by U.S. emergency H5 vaccination against clade 2.3.4.4 H5N2 high pathogenicity avian influenza virus.

    Science.gov (United States)

    Bertran, Kateri; Balzli, Charles; Lee, Dong-Hun; Suarez, David L; Kapczynski, Darrell R; Swayne, David E

    2017-11-01

    During December 2014-June 2015, the U.S. experienced a high pathogenicity avian influenza (HPAI) outbreak caused by clade 2.3.4.4 H5Nx Goose/Guangdong lineage viruses with devastating consequences for the poultry industry. Three vaccines, developed based on updating existing registered vaccines or currently licensed technologies, were evaluated for possible use: an inactivated reverse genetics H5N1 vaccine (rgH5N1) and an RNA particle vaccine (RP-H5), both containing the hemagglutinin gene of clade 2.3.4.4 strain, and a recombinant herpesvirus turkey vectored vaccine (rHVT-H5) containing the hemagglutinin gene of clade 2.2 strain. The efficacy of the three vaccines, alone or in combination, was assessed in White Leghorn chickens against clade 2.3.4.4 H5N2 HPAI virus challenge. In Study 1, single (rHVT-H5) and prime-boost (rHVT-H5+rgH5N1 or rHVT-H5+RP-H5) vaccination strategies protected chickens with high levels of protective immunity and significantly reduced virus shedding. In Study 2, single vaccination with either rgH5N1 or RP-H5 vaccines provided clinical protection in adult chickens and significantly reduced virus shedding. In Study 3, double rgH5N1 vaccination protected adult chickens from clinical signs and mortality when challenged 20weeks post-boost, with high levels of long-lasting protective immunity and significantly reduced virus shedding. These studies support the use of genetically related vaccines, possibly in combination with a broad protective priming vaccine, for emergency vaccination programs against clade 2.3.4.4 H5Nx HPAI virus in young and adult layer chickens. Published by Elsevier Ltd.

  20. Microwave Synthesis and Magnetic Properties of High Tc Superconductor MGB2

    International Nuclear Information System (INIS)

    Koeseoglu, Y.

    2004-01-01

    Polycrystalline powders of MgB 2 have been synthesized by microwave synthesis technique. Crystallographic information of the sample was investigated by powder X-ray diffraction (XRD). The main phase was determined as MgB2, and secondary phases as MgB4 and MgO. The temperature dependence of magnetic properties of polycrystalline MgB2, synthesized by using microwave heating of the constituents have been characterized by SQUID magnetometer and X-band EPR spectrometer. The transition temperature to the superconducting phase is observed as 39K for both measurements. An isotropic, strong and very narrow EPR signal corresponding to free electron g-value (ge=2.0023) is observed. The observed line broadening with decreasing temperature might arise from the dipolar interactions between the superparamagnetic nanoparticles. Normally, the internal magnetic field originating from magnetic entities is expected to be more uniform as a result of highly ordered magnetic moments at low temperatures; giving narrower ESR line in contrary in our case. While the ESR line is broadened, the signal intensity is drastically decreased just below T c =39 K corresponding to a transition temperature from normal to superconducting state. Some minor changes in both intensity and line width curves might be taken as signs for changes of local crystalline field symmetry around weakly localized conduction electrons or holes, which are the sources of ESR signal in MgB 2 compound

  1. 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl(4-nitrophenylmethyl]-1,3-dimethylpyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    N. Sureshbabu

    2013-11-01

    Full Text Available In the title compound, C21H23N3O7, the pyrimidinedione ring adopts a screw-boat conformation, whereas the cyclohexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidinedione and cyclohexenone rings is 58.78 (2°. The pyrimidinedione and cyclohexenone rings form dihedral angles of 59.94 (3 and 54.73 (2°, respectively, with the 4-nitrophenyl ring. Relatively strong intramolecular O—H...O hydrogen bonds are observed. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a chain along the c-axis direction.

  2. Determination and modeling for the solubility of Na_2WO_4·2H_2O and Na_2MoO_4·2H_2O in the (Na"+ + MoO_4"2"− + WO_4"2"− + SO_4"2"− + H_2O) system

    International Nuclear Information System (INIS)

    Ning, Pengge; Xu, Weifeng; Cao, Hongbin; Xu, Hongbin

    2016-01-01

    Highlights: • The solubility of Na_2MoO_4·2H_2O and Na_2WO_4·2H_2O in Na_2MoO_4–Na_2WO_4–Na_2SO_4H_2O were performed. • The solubility of sodium tungstate dihydrate in Na_2WO_4–Na_2SO_4H_2O was determined. • The new model was established via regressing the published and the determined data. • The Pitzer parameter and the solubility product constant of the salt in solution were calculated. • The model was used to estimate the solubility of the sodium molybdate and sodium tungstate. - Abstract: The solubility of sodium tungstate dihydrate and sodium molybdate dihydrate in the (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) system was studied using experimental and calculated methods. The osmotic coefficient of sodium tungstate was fitted to calculate the thermodynamics parameters of (Na_2WO_4 + H_2O) system. The solubility of sodium tungstate dihydrate was determined using the dynamic method in Na_2WO_4–Na_2SO_4H_2O to establish the new model which can provide an estimate the solubility of sodium tungstate dihydrate in various conditions, combined with the data published, the solubility of sodium tungstate dihydrate and the sodium molybdate dihydrate in quaternary system of (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) was estimated using the parameters of the two ternary systems of (Na_2WO_4 + Na_2SO_4 + H_2O) and (Na_2MoO_4 + Na_2SO_4 + H_2O). The results show that the AARD is always small and the calculated value is basically consistent with the experimental values for the system studied.

  3. Solvothermal synthesis, crystal structure, and second-order nonlinear optical properties of a new noncentrosymmetric gallium-organic framework material, [N(C3H7)4]3Ga3[C6H3(CO2)3]4

    Science.gov (United States)

    Lee, Dong Woo; Jo, Vinna; Ok, Kang Min

    2012-10-01

    A novel noncentrosymmetric (NCS) gallium-organic framework material, [N(C3H7)4]3Ga3[C6H3(CO2)3]4 (CAUMOF-11) has been synthesized by a solvothermal reaction using Ga(NO3)3·xH2O, 1,3,5-C6H3(CO2H)3, N(C3H7)4Cl, HNO3, and HCON(CH3)2 at 180 °C. The structure of the reported material has been determined by single-crystal X-ray diffraction. CAUMOF-11 has an anionic three-dimensional framework with aligned four-coordinate GaO4 tetrahedra and 1,3,5-benzenetricarboxylate groups. Tetrapropylammonim cations reside within the channel and maintain the charge balance. Detailed structural analyses with full characterization including infrared spectroscopy, thermogravimetric analysis, elemental analysis, ion-exchange reactions, topotactic decomposition, and gas adsorption experiments are reported. Powder second-harmonic generating (SHG) measurements on CAUMOF-11, using 1064 nm radiation, exhibit SHG efficiency of 15 times that of α-SiO2 and the material is phase-matchable (type-1).

  4. Treatment for GaSb surfaces using a sulphur blended (NH4)2S/(NH4)2SO4 solution

    International Nuclear Information System (INIS)

    Murape, D.M.; Eassa, N.; Neethling, J.H.; Betz, R.; Coetsee, E.; Swart, H.C.; Botha, J.R.; Venter, A.

    2012-01-01

    A sulphur based chemical, [(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] to which S has been added, not previously reported for the treatment of (1 0 0) n-GaSb surfaces, is introduced and benchmarked against the commonly used passivants Na 2 S·9H 2 O and (NH 4 ) 2 S. The surfaces of the treated material were studied by scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It has been found that the native oxides present on the GaSb surface are more effectively removed when treated with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] + S) than with (NH 4 ) 2 S or Na 2 S·9H 2 O, as evidenced by the ratio of the O 506eV to Sb 457eV AES peaks. XPS results reveal that Sb 2 S 3 /Sb 2 S 5 “replaces” Sb 2 O 3 /Sb 2 O 5 , suggesting that sulphur atoms substitute oxygen atoms in Sb 2 O 3 /Sb 2 O 5 to form Sb-S. It seems sulphurization only partially removes Ga 2 O 3 . Treatment with ([(NH 4 ) 2 S/(NH 4 ) 2 SO 4 ] + S) also results in a noteworthy improvement in the current-voltage (I-V) characteristics of Au/n-GaSb Schottky contacts compared to those fabricated on as-received material.

  5. Critical current density, irreversibility line, and flux creep activation energy in silver-sheathed Bi2Sr2Ca2Cu3Ox superconducting tapes

    International Nuclear Information System (INIS)

    Shi, D.; Wang, Z.; Sengupta, S.; Smith, M.; Goodrich, L.F.; Dou, S.X.; Liu, H.K.; Guo, Y.C.

    1992-08-01

    Transport data, magnetic hysteresis and flux creep activation energy experimental results are presented for silver-sheathed high-T c Bi 2 Sr 2 Ca 2 Cu 3 O x superconducting tapes. The 110 K superconducting phase was formed by lead doping in a Bi-Sr-Ca-Cu-0 system. The transport critical current density was measured at 4.0 K to be 0.7 x 10 5 A/cm 2 (the corresponding critical current is 74 A) at zero field and 1.6 x 10 4 A/cm 2 at 12 T for H parallel ab. Excellent grain alignment in the a-b plane was achieved by a short-melting method, which considerably improved the critical current density and irreversibility line. Flux creep activation energy as a function of current is obtained based on the magnetic relaxation measurements

  6. Attikaite, Ca3Cu2Al2(AsO4)4(OH)4 · 2H2O, a new mineral species

    Science.gov (United States)

    Chukanov, N. V.; Pekov, I. V.; Zadov, A. E.

    2007-12-01

    Attikaite, a new mineral species, has been found together with arsenocrandalite, arsenogoyazite, conichalcite, olivenite, philipsbornite, azurite, malachite, carminite, beudantite, goethite, quartz, and allophane at the Christina Mine No. 132, Kamareza, Lavrion District, Attiki Prefecture (Attika), Greece. The mineral is named after the type locality. It forms spheroidal segregations (up to 0.3 mm in diameter) consisting of thin flexible crystals up to 3 × 20 × 80 μm in size. Its color is light blue to greenish blue, with a pale blue streak. The Mohs’ hardness is 2 to 2.5. The cleavage is eminent mica-like parallel to {001}. The density is 3.2(2) g/cm3 (measured in heavy liquids) and 3.356 g/cm3 (calculated). The wave numbers of the absorption bands in the infrared spectrum of attikaite are (cm-1; sh is shoulder; w is a weak band): 3525 sh, 3425, 3180, 1642, 1120 w, 1070 w, 1035 w, 900 sh, 874, 833, 820, 690 w, 645 w, 600 sh, 555, 486, 458, and 397. Attikaite is optically biaxial, negative, α = 1.642(2), β = γ = 1.644(2) ( X = c) 2 V means = 10(8)°, and 2 V calc = 0°. The new mineral is microscopically colorless and nonpleochroic. The chemical composition (electron microprobe, average over 4 point analyses, wt %) is: 0.17 MgO, 17.48 CaO, 0.12 FeO, 16.28 CuO, 10.61 Al2O3, 0.89 P2O5, 45.45 As2O5, 1.39 SO3, and H2O (by difference) 7.61, where the total is 100.00. The empirical formula calculated on the basis of (O,OH,H2O)22 is: Ca2.94Cu{1.93/2+} Al1.97Mg0.04Fe{0.02/2+} [(As3.74S0.16P0.12)Σ4.02O16.08](OH)3.87 · 2.05H2 O. The simplified formula is Ca3Cu2Al2(AsO4)4(OH)4 · 2H2O. Attikaite is orthorhombic, space group Pban, Pbam or Pba2; the unit-cell dimensions are a = 10.01(1), b = 8.199(5), c = 22.78(1) Å, V = 1870(3) Å3, and Z = 4. In the result of the ignition of attikaite for 30 to 35 min at 128 140°, the H2O bands in the IR spectrum disappear, while the OH-group band is not modified; the weight loss is 4.3%, which approximately corresponds to two H2O

  7. Electronic Properties of LiFePO4 and Li doped LiFePO4

    International Nuclear Information System (INIS)

    Zhuang, G.V.; Allen, J.L.; Ross, P.N.; Guo, J.-H.; Jow, T.R.

    2005-01-01

    The potential use of different iron phosphates as cathode materials in lithium-ion batteries has recently been investigated.1 One of the promising candidates is LiFePO4. This compound has several advantages in comparison to the state-of-the-art cathode material in commercial rechargeable lithium batteries. Firstly, it has a high theoretical capacity (170 mAh/g). Secondly, it occurs as mineral triphylite in nature and is inexpensive, thermally stable, non-toxic and non-hygroscopic. However, its low electronic conductivity (∼10-9 S/cm) results in low power capability. There has been intense worldwide research activity to find methods to increase the electronic conductivity of LiFePO4, including supervalent ion doping,2 introducing non-carbonaceous network conduction3 and carbon coating, and the optimization of the carbon coating on LiFePO4 particle surfaces.4 Recently, the Li doped LiFePO4 (Li1+xFe1-xPO4) synthesized at ARL has yield electronic conductivity increase up to 106.5 We studied electronic structure of LiFePO4 and Li doped LiFePO4 by synchrotron based soft X-ray emission (XES) and X-ray absorption (XAS) spectroscopies. XAS probes the unoccupied partial density of states, while XES the occupied partial density of states. By combining XAS and XES measurements, we obtained information on band gap and orbital character of both LiFePO4 and Li doped LiFePO4. The occupied and unoccupied oxygen partial density of states (DOS) of LiFePO4 and 5 percent Li doped LiFePO4 are presented in Fig. 1. Our experimental results clearly indicate that LiFePO4 has wideband gap (∼ 4 eV). This value is much larger than what is predicted by DFT calculation. For 5 percent Li doped LiFePO4, a new doping state was created closer to the Fermi level, imparting p-type conductivity, consistent with thermopower measurement. Such observation substantiates the suggestion that high electronic conductivity in Li1.05Fe0.95 PO4 is due to available number of charge carriers in the material

  8. MgB2 energy gap determination by scanning tunnelling spectroscopy

    International Nuclear Information System (INIS)

    Heitmann, T W; Bu, S D; Kim, D M; Choi, J H; Giencke, J; Eom, C B; Regan, K A; Rogado, N; Hayward, M A; He, T; Slusky, J S; Khalifah, P; Haas, M; Cava, R J; Larbalestier, D C; Rzchowski, M S

    2004-01-01

    We report scanning tunnelling spectroscopy (STS) measurements of the gap properties of both ceramic MgB 2 and c-axis oriented epitaxial MgB 2 thin films. Both show a temperature dependent zero bias conductance peak and evidence for two superconducting gaps. We report tunnelling spectroscopy of superconductor-insulator-superconductor (S-I-S) junctions formed in two ways in addition to normal metal-insulator-superconductor (N-I-S) junctions. We find a gap δ = 2.2-2.8 meV, with spectral features and temperature dependence that are consistent between S-I-S junction types. In addition, we observe evidence of a second, larger gap, δ 7.2 meV, consistent with a proposed two-band model

  9. Crystal structure of 1-(2,4-dimethylphenyl-2-(4-trimethylsilyl-1H-1,2,3-triazol-1-ylethanone

    Directory of Open Access Journals (Sweden)

    G. B. Venkatesh

    2014-12-01

    Full Text Available The asymmetric unit of the title compound, C15H21N3OSi, contains two molecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å. The dihedral angles between the planes of the 1,2,3-triazole and 2,4-dimethylbenzene rings are 27.0 (3 and 19.5 (3°. In the crystal, molecules are linked by very weak C—H...O and C—H...N hydrogen bonds to generate [100] chains. The chains are cross-linked by C—H...π interactions.

  10. 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/.

  11. Dosimeter configurations for the measurement of Hs(0.07) and Hp(10) from photons

    DEFF Research Database (Denmark)

    Christensen, P.; Bøtter-Jensen, L.; Ennow, K.

    1990-01-01

    F TLD-700, LiF:Mg, Cu, P, and Li2B4O7:Mn TL detectors were investigated for the measurement of H(p) (10), and graphite-mixed MgB4O7:Dy, LiF and Li2B4O7 were investigated for the measurement of H(s) (0.07). Irradiations were made with a Co-60 gamma source and ISO qualities of X radiations...

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

    Science.gov (United States)

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

    2006-10-01

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

  13. Crystal structure of 3-(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacen-3-ylpropanoic acid

    Directory of Open Access Journals (Sweden)

    Takuma Kato

    2017-12-01

    Full Text Available The crystal structure of the title compound, C14H15BF2N2O2, which comprises a boron–dipyrromethene (BODIPY backbone and a propionic acid group, has been determined at 100 K. The BODIPY fused-ring system is nearly planar, with a maximum deviation from the mean plane of 0.032 (2 Å. In the crystal, pairs of O—H...O hydrogen bonds connect the molecules, forming inversion dimers. The dimers are linked via C—H...O hydrogen bonds, forming a tape along the a axis. The tapes are stacked along the c axis through C—H...F hydrogen bonds and π–π interactions.

  14. Enhanced visible light photocatalytic H{sub 2} evolution of metal-free g-C{sub 3}N{sub 4}/SiC heterostructured photocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Biao, E-mail: wangbiao@fjirsm.ac.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Jingtao, E-mail: zhangjtao@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510006 (China); Huang, Feng, E-mail: huangfeng@mail.sysu.edu.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510006 (China)

    2017-01-01

    Highlights: • Novel g-C{sub 3}N{sub 4}/SiC composite was prepared by synthesizing g-C{sub 3}N{sub 4} on the surface of SiC. • g-C{sub 3}N{sub 4}/SiC composites exhibit much higher H{sub 2} production activity than pure g-C{sub 3}N{sub 4}. • The g-C{sub 3}N{sub 4}/SiC heterojunction mainly accounts for improved photocatalytic activity. - Abstract: g-C{sub 3}N{sub 4} has been attracting much attention for application in visible light photocatalytic water splitting due to its suitable band structure, and high thermal and chemical stability. However, the rapid recombination of photogenerated carriers has inhibited its wide use. For this reason, novel g-C{sub 3}N{sub 4}/SiC composites were prepared via in situ synthesis of g-C{sub 3}N{sub 4} on the surface of SiC, with which g-C{sub 3}N{sub 4} shows tight interaction (chemical bonding). The g-C{sub 3}N{sub 4}/SiC composites exhibit high stability in H{sub 2} production under irradiation with visible light (λ ≥ 420 nm), demonstrating a maximum of 182 μmol g{sup −1} h{sup −1}, being 3.4 times higher than that of pure g-C{sub 3}N{sub 4}. The enhanced photocatalytic H{sub 2} production ability for g-C{sub 3}N{sub 4}/SiC photocatalysts is primarily ascribed to the combined effects of enhanced separation of photogenerated carriers through efficient migration of electron and enlarged surface areas, in addition to the possible contributions of increased hydrophilicity of SiC and polymerization degree of g-C{sub 3}N{sub 4}. This study may provide new insights into the development of g-C{sub 3}N{sub 4}-based composites as stable and efficient photocatalysts for H{sub 2} production from water splitting.

  15. Enhancement of Jc of MgB2 thin films by introduction of oxygen during deposition

    International Nuclear Information System (INIS)

    Mori, Zon; Doi, Toshiya; Hakuraku, Yoshinori; Kitaguchi, Hitoshi

    2006-01-01

    The introduction of various pinning center are examined as the effective means for improvement of J c of MgB 2 thin films. We have investigated the effects of introduction of oxygen during deposition on the superconducting properties of MgB 2 thin films. MgB 2 thin films were prepared on polished sapphire C(0001) single crystal substrates by using electron beam evaporation technique (EB) without any post-annealing. The background pressure was less than 1.3x10 -6 Pa. The evaporation flux ratio of Mg was set at 30 times as high as that of B, and the growth rate of MgB 2 film was 1nm/s. The film thickness was typically 300nm at 5min deposition. The substrate temperature was 245 deg. C. Under these conditions, we controlled the oxygen partial pressure (P O 2 ) within the range from 1.3x10 -6 to 1.3x10 -3 Pa by using a quadrapole mass spectrometer. Although T c of deposited thin film decreased in order of P O 2 , ΔM in the magnetization hysteresis loops measured from 0 to 6T at 4.2K increased up to 1.3x10 -5 . On the other hand, thin film prepared under P O 2 of 1.3x10 -3 Pa does not show superconducting transition. Between these films, there is no difference in the crystal structure from X-ray diffraction (XRD). These results suggest that the pinning center in the thin films increased by introduction of oxygen. Extremely small amount of oxygen introduction has enabled the control of growth of oxide

  16. Study of cerium doped magnetite (Fe{sub 3}O{sub 4}:Ce)/PMMA nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Padalia, Diwakar, E-mail: Padalia.diwakar@gmail.com [Department of Physics, G.B. Pant University of Agriculture and Technology, Pantnagar, Uttrakhand (India); Johri, U.C. [Department of Physics, G.B. Pant University of Agriculture and Technology, Pantnagar, Uttrakhand (India); Zaidi, M.G.H. [Supercritical Fluid Processing Laboratory, Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, Uttrakhand (India)

    2012-03-01

    The paper presents the synthesis and properties of polymer nanocomposite material based on cerium doped magnetite (Fe{sub 3}O{sub 4}) as filler material and poly methyl methacrylate (PMMA) as host matrix. The magnetite (Fe{sub 3}O{sub 4}) particles were synthesized by co-precipitation route using stable ferrous and ferric salts with ammonium hydroxide as precipitating agent. Further, they doped by cerium oxide (CeO{sub 2}) non-stoichiometrically. The composite material was fabricated by solvent evaporation method. Here 2.4 GHz microwaves were used to study the effect of microwaves heating on polymerization. The phase and crystal structure is determined by X-ray diffraction (XRD). The average crystallite size of the composites varies from 28 to 35 nm. The chemical structure is confirmed by Fourier transform infrared (FTIR) spectroscopy. The magnetic and thermal properties are investigated by vibrating sample magnetometer (VSM) and differential scanning calorimetry (DSC). The thermal study shows that the microwave heated samples possess higher glass transition temperature (T{sub g}). The magnetic results suggest that coercivity (H{sub C}) and squareness (M{sub r}/M{sub s}) of the loop increases with increasing doping percent of cerium.

  17. Development of sintered composites CaSO4 doped with Dy and Nd

    International Nuclear Information System (INIS)

    Chagas, M.A.P.; Parente, L.J.; Souza, D.N.

    2007-01-01

    The main of this work was the developing of sintered composites in order to use as thermoluminescent dosimeters using a simple route to preparation, employing high temperature. The composites were prepared with CaSO 4 .2H 2 O doped with Dy 2 O 3 and NdO 3 . Initially CaSO 4 .2H 2 O was dehydrated in oven at 100 deg C by 1h. After the addiction dopants and homogenization of compounds, PVA was incorporated to make easy to compaction of composites. The pellets with 6 mm of diameter and 1 mm thickness were sintered at 900 deg C and 1000 deg C by 6 h. The TL emission showed two peaks when the samples were irradiated with beta source (Sr 90 +Y 90 ). In all cases, the calibration curves presented responses proportional to absorbed dose. The results showed that this material have potential to be used in dosimetry. (author)

  18. Thermal decomposition study of Mn doped Fe3O4 nanoparticles

    Science.gov (United States)

    Malek, Tasmira J.; Chaki, S. H.; Tailor, J. P.; Deshpande, M. P.

    2016-05-01

    Fe3O4 is an excellent magnetic material among iron oxides. It has a cubic inverse spinel structure exhibiting distinguished electric and magnetic properties. In this paper the authors report the synthesis of Mn doped Fe3O4 nanoparticles by wet chemical reduction technique at ambient temperature and its thermal characterization. Ferric chloride hexa-hydrate (FeCl3•6H2O), manganese chloride tetra-hydrate (MnCl24H2O) and sodium boro-hydrate (NaBH4) were used for synthesis of Fe3O4 nanoparticles at ambient temperature. The elemental composition of the as-synthesized Mn doped Fe3O4 nanoparticles were determined by energy dispersive analysis of X-rays (EDAX) technique. Thermogravimetric (TG) and differential thermal analysis (DTA) were carried out on the Mn doped Fe3O4 nanoparticles in the temperature range of ambient to 1124 K. The thermo-curves revealed that the particles decompose by four steps. The kinetic parameters were evaluated using non-mechanistic equations for the thermal decomposition.

  19. A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

    International Nuclear Information System (INIS)

    Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo

    2015-01-01

    Highlights: • The CN + C 2 H 4 reaction was investigated in crossed beam experiments. • Electronic structure calculations of the potential energy surface were performed. • RRKM estimates qualitatively reproduce the experimental C 2 H 3 NC yield. - Abstract: The CN + C 2 H 4 reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice–Ramsperger–Kassel–Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH 2 CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C 2 H 3 NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments

  20. C20H4(C4F8)3: a fluorine-containing annulated corannulene that is a better electron acceptor than C60.

    Science.gov (United States)

    Kuvychko, Igor V; Dubceac, Cristina; Deng, Shihu H M; Wang, Xue-Bin; Granovsky, Alexander A; Popov, Alexey A; Petrukhina, Marina A; Strauss, Steven H; Boltalina, Olga V

    2013-07-15

    At sixes and sevens: The reaction of corannulene with 35 equivalents of 1,4-C4F8I2 is an efficient and a relatively selective process that yields two main products in which six H atoms are substituted with three C4F8 moieties that form six- and seven-membered rings. Low-temperature photoelectron spectroscopy showed the electron affinity of the major isomer (shown) exceeds that of C60 (2.74±0.02 and 2.689±0.008 eV, respectively). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Improved high-rate charge/discharge performances of LiFePO{sub 4}/C via V-doping

    Energy Technology Data Exchange (ETDEWEB)

    Sun, C.S.; Zhou, Z.; Xu, Z.G.; Wang, D.G.; Wei, J.P.; Bian, X.K.; Yan, J. [Institute of New Energy Material Chemistry, Nankai University, Tianjin 300071 (China)

    2009-09-05

    V-doped LiFePO{sub 4}/C cathode materials were prepared through a carbothermal reduction route. The microstructure was characterized by X-ray diffraction, X-ray photoelectron spectroscopy and scanning electron microscopy. The electrochemical Li{sup +} intercalation performances of V-doped LiFePO{sub 4}/C were compared with those of undoped one through galvanostatic intermittent titration technique, cyclic voltamperometry, and electrochemical impedance spectrum. V-doped LiFePO{sub 4}/C showed a high discharge capacity of {proportional_to}70 mAh g{sup -1} at the rate of 20 C (3400 mA g{sup -1}) at room temperature. The significantly improved high-rate charge/discharge capacity is attributed to the increase of Li{sup +} ion ''effective'' diffusion capability. (author)

  2. Facile synthesis, structural characterization, and photoluminescence mechanism of Dy3+ doped YVO4 and Ca2+ co-doped YVO4:Dy3+ nano-lattices

    Science.gov (United States)

    Dhiren Meetei, Sanoujam; Deben Singh, Mutum; Dorendrajit Singh, Shougaijam

    2014-05-01

    Light plays a vital role in the evolution of life. From sunlight to candle-light and then to other form of lighting devices, human beings are utilizing light since time immemorial. Lighting devices such as conventional incandescent lamp and fluorescent lamp have been replaced by Light Emitting Diodes (LEDs) for the later is cheap, durable, etc. Now-a-days, phosphor converted LEDs have been burning issues in the fabrication of lighting devices. Especially, lanthanide ion(s) doped phosphors are of great interest for the same. However, doped phosphors have a limitation of luminescence quenching, i.e., instead of increasing luminescence on increasing dopant concentration, the luminescence decreases. Therefore, it must be rectified by one or other means so as to get maximum desirable intensity for uses in display or lighting devices. In the present work, YVO4:Dy3+ and YVO4:Dy3+/Ca2+ nano-lattices are synthesized by a facile technique. Structural characterizations such as x-ray diffraction, SEM, TEM, HRTEM, and Selected Area Electron Diffraction (SAED) of the samples are reported. Photoluminescence (PL) excitation and emission, enhanced mechanism, and lifetime are thoroughly discussed. PL intensity of the quenched YVO4:Dy3+ is made increased up to 432.63% by Ca2+ co-doping. Role of the Ca2+ on the luminescence enhanced mechanism of YVO4:Dy3+/Ca2+ is elucidated.

  3. 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

  4. Towards a Cryogen-Free MgB2-Based Superconducting Radio Frequency Accelerating Cavities

    Science.gov (United States)

    Nassiri, Alireza

    Studies on the application of Magnesium diboride (MgB2) superconducting films have shown promise for use with the radio-frequency (SRF) accelerating cavities. MgB2\\ coating is a potential candidate to replace bulk niobium (Nb) SRF cavities. The ultimate goal of our research is to demonstrate MgB2 coating on copper cavities to allow operation at about 20 K or so as a result of the high transition temperature (Tc) of MgB2 and taking advantage of the excellent thermal conductivity of copper. Here, we will report on our recent experimental results of applying hybrid physical-chemical vapor deposition (HPCVD) to grow MgB2 films on 2-inch diameter copper discs as well as on a 2.8 GHz resonator cavity *Work supported by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC02-06H11357.

  5. Synthesis and electrochemical properties of tin-doped MoS{sub 2} (Sn/MoS{sub 2}) composites for lithium ion battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Lin; Min, Feixia; Luo, Zhaohui; Wang, Shiquan, E-mail: wsqhao@126.com [Hubei University, Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Ministry-of-Education Key Laboratory for Synthesis and Applications of Organic Functional Molecules (China); Teng, Fei [Nanjing University of Information Science and Technology, Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Sciences and Engineering (China); Li, Guohua [Zhejiang University of Technology, School of Chemical Engineering and Materials Science (China); Feng, Chuanqi [Hubei University, Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Ministry-of-Education Key Laboratory for Synthesis and Applications of Organic Functional Molecules (China)

    2016-12-15

    SnO{sub 2}-MoO{sub 3} composites were synthesized by using (NH{sub 4}){sub 6}Mo{sub 7}O{sub 24}·4H{sub 2}O and SnCl{sub 22H{sub 2}O as raw materials through a simple solvothermal method followed by pyrolysis. Tin-doped MoS{sub 2} (Sn/MoS{sub 2}) flowers have been synthesized by a solvothermal method followed with annealing in Ar(H{sub 2}) atmosphere, with SnO{sub 2}-MoO{sub 3}, thioacetamide (TAA), and urea as starting materials. The doping and the content of Sn-doping play crucial roles in the morphology and electrochemical performance of the MoS{sub 2}. As anode materials for lithium ion battery (LIB), all Sn/MoS{sub 2} composites exhibit both higher reversible capacity and better cycling performance at current density of 200 mA g{sup −1}, compared with MoS{sub 2} without Sn doping. The achieved discharge capacity for Sn/MoS{sub 2} composites is above 1000 mAh g{sup −1} after 100 cycles with nearly 100% coulombic efficiency. The doping of metal Sn in MoS{sub 2} can improve the conductivity of MoS{sub 2} and significantly enhance its electrochemical properties. The good electrochemical performance suggests that the Sn/MoS{sub 2} composite could be a promising candidate as a novel anode material for LIB application. Our present work provides a new approach to the fabrication of anode materials for LIB applications.

  6. MgB2 for Application to RF Cavities for Accelerators

    International Nuclear Information System (INIS)

    Tajima, T.; Canabal, A.; Zhao, Y.; Romanenko, A.; Moeckly, B.H.; Nantista, C.D.; Tantawi, S.; Phillips, L.; Iwashita, Y.; Campisi, I.E.

    2007-01-01

    Magnesium diboride (MgB 2 ) has a transition temperature (T c ) of ∼40 K, i.e., about 4 times as high as that of niobium (Nb).We have been evaluating MgB 2 as a candidate material for radio-frequency (RF) cavities for future particle accelerators. Studies in the last 3 years have shown that it could have about one order of magnitude less RF surface resistance (Rs) than Nb at 4 K. A power dependence test using a 6 GHz TE011 mode cavity has shown little power dependence up to ∼12 mT (120 Oe), limited by available power, compared to other high-Tc materials such as YBCO. A recent study showed, however, that the power dependence of Rs is dependent on the coating method. A film made with on-axis pulsed laser deposition (PLD) has showed rapid increase in Rs compared to the film deposited by reactive evaporation method. This paper shows these results as well as future plans

  7. Magnetocaloric effect in gadolinium-oxalate framework Gd2(C2O4)3(H2O)6⋅(0⋅6H2O)

    International Nuclear Information System (INIS)

    Sibille, Romain; Didelot, Emilie; Mazet, Thomas; Malaman, Bernard; François, Michel

    2014-01-01

    Magnetic refrigerants incorporating Gd 3+ ions and light organic ligands offer a good balance between isolation of the magnetic centers and their density. We synthesized the framework material Gd 2 (C 2 O 4 ) 3 (H 2 O) 6 ⋅0.6H 2 O by a hydrothermal route and characterized its structure. The honeycomb lattice of Gd 3+ ions interlinked by oxalate ligands in the (a,c) plane ensures their decoupling in terms of magnetic exchange interactions. This is corroborated by magnetic measurements indicating negligible interactions between the Gd 3+ ions in this material. The magnetocaloric effect was evaluated from isothermal magnetization measurements. The maximum entropy change −ΔS M max reaches 75.9 mJ cm −3 K −1 (around 2 K) for a moderate field change (2 T)

  8. Enhanced magnetic and ferroelectric properties in scandium doped nano Bi2Fe4O9

    International Nuclear Information System (INIS)

    Dutta, Dimple P.; Sudakar, C.; Mocherla, Pavana S.V.; Mandal, Balaji P.; Jayakumar, Onnatu D.; Tyagi, Avesh K.

    2012-01-01

    In this study we report the synthesis of undoped and Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles using sonochemical technique. X-ray diffraction reveals that all samples are single phase with no impurities detected. EDS analysis was done to confirm the extent of Sc 3+ doping in the samples. The size and morphology of the nanoparticles have been analyzed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The Bi 2 Fe 4 O 9 nanoparticles show a weak ferromagnetic behavior at room temperature, which is quite different from the linear M–H relationship reported for bulk Bi 2 Fe 4 O 9 . A magnetization of 0.144 μB/f.u. is obtained at 300 K, which is mainly attributed to the uncompensated moments at the disordered particle surface resulting from the reduced coordination of the surface spins, arising due to lattice strain or oxygen deficiency. Addition of Sc 3+ dopant in varying concentrations in these Bi 2 Fe 4 O 9 nanoparticles, improves their magnetic as well as ferroelectric properties. The leakage current is considerably reduced and electric polarization increases significantly in case of Bi 2 Fe 4(1−x) Sc x O 9 (x = 0.1) nanoparticles. Thus it can be inferred that Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles shows promise as good multiferroic materials. -- Graphical abstract: Undoped and Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles have been synthesized using sonochemical technique. The bi-functionalities of Sc 3+ doped Bi 2 Fe 4 O 9 nanoparticles have been demonstrated. The Bi 2 Fe 4(1−x) Sc x O 9 (x = 0.1) nanoparticles showed enhanced magnetic and ferroelectric properties with considerably less lossy characteristics compared to the bulk Bi 2 Fe 4 O 9 . Highlights: ► Phase pure Bi 2 Fe 4 O 9 nanostructures synthesized using a facile sonochemical technique. ► Nanoparticles show a weak ferromagnetic order at room temperature. ► Sc 3+ doping in Bi 2 Fe 4 O 9 nanoparticles alters their magnetic and ferroelectric properties. ► A

  9. 2,3-Dihydro-2,5-dihydroxy-4H-benzopyran-4-one: a nonphysiological substrate for fungal melanin biosynthetic enzymes.

    Science.gov (United States)

    Thompson, J E; Basarab, G S; Pierce, J; Hodge, C N; Jordan, D B

    1998-02-01

    We have synthesized an alternate substrate for trihydroxynaphthalene reductase (3HNR) and scytalone dehydratase (SD), two enzymes in the fungal melanin biosynthetic pathway. The oxidation of 2,3-dihydro-2,5-dihydroxy-4H-benzopyran-4-one (DDBO) to 4,5-dihydroxy-2H-benzopyran-2-one (DBO) with concomitant reduction of NADP+ is catalyzed by 3HNR. DDBO is dehydrated by SD to 5-hydroxy-4H-1-benzopyran-4-one (HBO). These reactions can be monitored using continuous spectrophotometric assays. DDBO race-mizes rapidly, so chiral synthesis to mimic the natural substrate is not required. DDBO, DBO, and HBO are stable in aerated aqueous solution, in contrast to the rapidly autooxidizing trihydroxynaphthalene, a physiological substrate for 3HNR and product of SD. Unlike the natural substrates, DDBO, DBO, and HBO do not change protonation state between pH's 4 and 9. Oxidation of DDBO is effectively irreversible at pH 7, as DBO deprotonates with a pKa of 2.5. At pH 7.0 and 25 degrees C, the kcat for 3HNR catalyzed DDBO oxidation is 14 s-1 and the K(m) is 5 microM; the kcat for SD catalyzed DDBO dehydration is 400 s-1 and the K(m) is 15 microM. Based on these kinetic constants, DDBO is a better substrate than the natural substrate scytalone for both 3HNR and SD at neutral pH. An explanation for the preference of DDBO over scytalone in the oxidation and dehydration reactions is offered.

  10. Preparation of {sup 35}SO{sub 4}H{sub 2} and of some other {sup 35}S labeled mineral compounds; Preparation de {sup 35}SO{sub 4}H{sub 2} et de quelques autres composes mineraux simples marques a {sup 35}S

    Energy Technology Data Exchange (ETDEWEB)

    De la Gueronniere, E; Henry, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-07-01

    Methods of preparation, from pile irradiated KCI, of the following labeled molecules are described: - carrier free H{sub 2}SO{sub 4} - SCd (100 m curies/milli mole) - solution of SNa{sub 2} (100 m curies/milli mole) - solution of SK{sub 2} (100 m curies/milli mole) - S metalloid (100 m curies/milli mole) - SO{sub 3}Na{sub 2} (90 m curies/milli mole) - S{sub 2}C{sub 3}Na{sub 2} (50 m curies/mammalia). (author) [French] On decrit les methodes de preparation, a partir de KCl irradie dans les piles, des molecules suivantes marquees au {sup 35}S: - SO{sub 4}H{sub 2} (sans entraineur) - SCd (100 mcuries/millimole) - solution de SNa{sub 2} (100 mcuries/millimole) - solution de SK{sub 2} (100 mcuries/millimole) - S metalloide (100 mcuries/millimole) - Na{sub 2}SO{sub 3} (90 mcuries/millimole) - Na{sub 2}S{sub 2}C{sub 3} (50 mcuries/milIimole). (auteur)

  11. The relation of the broad band with the E2g phonon and superconductivity in the Mg(B1-xCx)2 compound

    International Nuclear Information System (INIS)

    Parisiades, P.; Lampakis, D.; Palles, D.; Liarokapis, E.; Karpinski, J.

    2007-01-01

    We have carried out an extensive micro-Raman study on Mg(B 1-x C x ) 2 single crystals, for carbon concentrations up to x=0.15. The E 2g symmetry broad band for pure MgB 2 at ∼600cm -1 disappears even for small doping levels (x=0.027) and two well-defined peaks in the high-energy side of this band play a major role in the Raman spectra of the substituted compounds. We propose that a two-mode behavior of the compound might be present, induced by the coupling of the observed phonons with the electronic bands

  12. Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H-one

    Directory of Open Access Journals (Sweden)

    Gene-Hsiang Lee

    2006-03-01

    Full Text Available The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H-one (4, molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H-one (3 with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized by reacting6-amino-3(2Hmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H-one (7 with benzylbromide in methanolic ammonia water. The compound crystallizes in the monoclinicspace group P21/c with a = 7.2926(15, b = 14.456(2, c = 11.436(2 å, β = 105.30(2°, V= 1162.9(4 å3 and Z = 4, resulting in a density Dcalc of 1.567 g/cm3. Molecules of 4 arelinked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set R22 (9]. The structure is further stabilized by π-π stacking interactions. 2

  13. 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)

  14. Growth of high-quality large-area MgB2 thin films by reactive evaporation

    International Nuclear Information System (INIS)

    Moeckly, B H; Ruby, W S

    2006-01-01

    We report a new in situ reactive deposition thin film growth technique for the production of MgB 2 thin films which offers several advantages over all existing methods and is the first deposition method to enable the production of high-quality MgB 2 films for real-world applications. We have used this growth method, which incorporates a rotating pocket heater, to deposit MgB 2 films on a variety of substrates, including single-crystalline, polycrystalline, metallic, and semiconductor materials up to 4 inch in diameter. This technique allows growth of double-sided, large-area films in the intermediate temperature range of 400-600 deg. C. These films are clean, well-connected, and consistently display T c values of 38-39 K with low resistivity and residual resistivity values. They are also robust and uncommonly stable upon exposure to atmosphere and water. (rapid communication)

  15. High efficiency 4H-SiC betavoltaic power sources using tritium radioisotopes

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Christopher; Portnoff, Samuel [Widetronix Corp., Ithaca, New York 14850 (United States); Spencer, M. G. [Department of Electrical and Computer Engineering, Cornell University, Ithaca, New York 14850 (United States)

    2016-01-04

    Realization of an 18.6% efficient 4H-silicon carbide (4H-SiC) large area betavoltaic power source using the radioisotope tritium is reported. A 200 nm 4H-SiC P{sup +}N junction is used to collect high-energy electrons. The electron source is a titanium tritide (TiH{sup 3}{sub x}) foil, or an integrated titanium tritide region formed by the diffusion of tritium into titanium. The specific activity of the source is directly measured. Dark current measured under short circuit conditions was less than 6.1 pA/cm{sup 2}. Samples measured with an external tritium foil produced an open circuit voltage of 2.09 V, short circuit current of 75.47 nA/cm{sup 2}, fill factor of 0.86, and power efficiency of 18.6%. Samples measured with an integrated source produced power efficiencies of 12%. Simulations were done to determine the beta spectrum (modified by self absorption) exiting the source and the electron hole pair generation function in the 4H-SiC. The electron-hole pair generation function in 4H-SiC was modeled as a Gaussian distribution, and a closed form solution of the continuity equation was used to analyze the cell performance. The effective surface recombination velocity in our samples was found to be 10{sup 5}–10{sup 6 }cm/s. Our analysis demonstrated that the surface recombination dominates the performance of a tritium betavoltaic device but that using a thin P{sup +}N junction structure can mitigate some of the negative effects.

  16. Regioselective synthesis of 7,8-dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H-dione derivatives: A new drug-like heterocyclic scaffold

    Directory of Open Access Journals (Sweden)

    Nikolay T. Tzvetkov

    2012-09-01

    Full Text Available Dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H-dione derivatives were prepared by successive N3- and N1-alkylation of hydantoins, followed by regioselective thionation and subsequent cyclization under mild conditions. In a final alkylation step a further substituent may be introduced. The synthetic strategy allows broad structural variation of this new drug-like heterobicyclic scaffold. In addition to extensive NMR and MS analyses, the structure of one derivative was confirmed by X-ray crystallography.

  17. Utilization of Snail (Achatina fulica Shell Waste for Synthesis of Calcium Tartrate Tetrahydrate (CaC4H4O6.4H2O Single Crystals in Silica Gel

    Directory of Open Access Journals (Sweden)

    Imam Sakdi

    2012-01-01

    Full Text Available Snail (Achatina fulica shell waste is massively produced by many home industries in Indonesia, especially in East Java. The snail shell is known for high calcium; therefore it is potential to be used as calcium source of supernatant in the synthesis of piezoeletric material, such as single crystal of calcium tartrate tetrahydrate (CaTT. The aim of this research is to study the synthesis and characterization of CaTT or CaC4H4O6.4H2O from snail shell waste in silica gel. Supernatant solution of CaCl2 was prepared from CaO, which previously made by calcinating the shell at 1000°C, and then reacted with HCl 1,5M. Synthesis of CaTT was conducted in a single-tube reaction at room temperature in which silica gel was used as growth medium with gelling time of 10 days and growth time of 2 weeks. The pH of gel and CaCl2 concentration were varied, 3.00; 3.50; 4.00; 4.50; 5.00; and 0.27; 0.36; 0.45; 0.54 M respectively, in order to obtain optimum condition of the synthesis, which is indicated from crystal yields. The synthesized crystals were characterized by atomic adsorption spectrophotometry (AAS, infrared spectroscopy (IR and powder X-ray diffraction (XRD. Experimental data shows that optimum condition was obtained at pH of 3.50 and [CaCl2] of 0.45M with yield of 69.37%. The obtained single crystal has clear color and octahedral-like shape with size ranged between 4 – 9 mm. Analysis data by FTIR and powder XRD confirmed that the obtained crystal was CaTT single crystals with crystal system of orthorhombic.

  18. Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl-3-nitropyrano[3,2-c]chromen-5(4H-one with an unknown solvate

    Directory of Open Access Journals (Sweden)

    Rajamani Raja

    2015-09-01

    Full Text Available In the title compound, C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 Å are almost normal to one another with a dihedral angle of 85.59 (6°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N—H...O hydrogen bond, which generates an S(6 ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(12 ring motif. The dimers are linked by pairs of C—H...O hydrogen bonds, enclosing R22(6 ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C—H...O hydrogen bonds, forming slabs parallel to (110. Within the slabs there are C—H...π interactions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015. Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s.

  19. Hydrogen-bonded Three-Dimensional Networks Encapsulating One-dimensional Covalent Chains: [Cu(3-ampy)(H2O)4](SO4)·(H2O) (3-ampy = 3-Aminopyridine)

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A three-dimensional complex [Cu(3-ampy)(H2O)4](SO4)·(H2O) (3-ampy = 3-aminopyridine) has been synthesized. Crystallographic data: C5H16CuN2O9S, Mr = 343.80, triclinic, space group P, a = 7.675(2), b = 8.225(3), c = 10.845(3) (A), α= 86.996(4), β = 76.292(4),γ = 68.890(4)°, V = 620.0(3) (A)3, Z = 2, Dc = 1.841 g/cm3, F(000) = 354 and μ = 1.971 mm-1. The structure was refined to R = 0.0269 and wR = 0.0659 for 1838 observed reflections (I > 2σ(Ⅰ)). The structure consists of [Cu(3-ampy)(H2O)4]2+ cations, SO42- anions and lattice water molecules. 3-Ampy acting as a bidentate bridging ligand generates a 1D covalent chain. A supramolecular 2D framework is formed through π-π stacking of pyridine rings. The lattice water molecules and SO42- anions are located between the adjacent 2D frameworks. The hydrogen bonding interactions from lattice water molecules and SO42- anions to coordinate water extend the 2D framework into a 3D network.

  20. Solvothermal synthesis of Mg-doped Li2FeSiO4/C nanocomposite cathode materials for lithium-ion batteries

    Science.gov (United States)

    Kumar, Ajay; Jayakumar, O. D.; Naik, V. M.; Nazri, G. A.; Naik, R.

    Lithium transition metal orthosilicates, such as Li2FeSiO4 and Li2MnSiO4, as cathode material have attracted much attention lately due to their high theoretical capacity ( 330 mAh/g), low cost, and environmental friendliness. However, they suffer from poor electronic conductivity and slow lithium ion diffusion in the solid phase. Several cation-doped orthosilicates have been studied to improve their electrochemical performance. We have synthesized partially Mg-substituted Li2Mgx Fe1-x SiO4-C, (x = 0.0, 0.01, 0.02, and 0.04) nano-composites by solvothermal method followed by annealing at 600oC in argon flow. The structure and morphology of the composites were characterized by XRD, SEM and TEM. The surface area and pore size distribution were measured by using N2 adsorption/desorption curves. The electrochemical performance of the Li2MgxFe1-x SiO4-C composites was evaluated by Galvanostatic cycling against metallic lithium anode, electrochemical impedance spectroscopy, and cyclic voltammetry. Li2Mg0.01Fe0.99SiO4-C sample shows a capacity of 278 mAh/g (at C/30 rate in the 1.5-4.6 V voltage window) with an excellent rate capability and stability, compared to the other samples. We attribute this observation to its higher surface area, enhanced electronic conductivity and higher lithium ion diffusion coefficient.