Crystal structures of KM(AsF6)3 (M2+ = Mg, Co, Mn, Zn), KCu(SbF6)3 and [Co(HF)2]Sr[Sr(HF)]2-[Sr(HF)2]2[AsF6]12

International Nuclear Information System (INIS)

Mazej, Zoran; Goreshnik, Evgeny

2015-01-01

The KM(AsF 6 ) 3 (M 2+ = Mg, Co, Mn, Zn) and KCu(SbF 6 ) 3 compounds crystallize isotypically to previously known KNi(AsF 6 ) 3 . The main features of the structure of these compounds are rings of MF 6 octahedra sharing apexes with AsF 6 octahedra connected into infinite tri-dimensional frameworks. In this arrangement cavities are formed where K + cations are placed. Single crystals of CoSr 5 (AsF 6 ) 12 .8HF were obtained as one of the products after the crystallization of 3KF/CoF 2 /SrF 2 mixture in the presence of AsF 5 in anhydrous HF. The CoSr 5 (AsF 6 ) 12 .8HF is monoclinic, C/2c (No.15), with a = 26.773(5) Aa, b = 10.087(2) Aa, c = 21.141(5) Aa, β = 93.296(13) circle , V = 5699.9(19) Aa 3 at 200 K, and Z = 4. There are three crystallographically non-equivalent Sr 2+ cations in the crystal structure of CoSr 5 (AsF 6 ) 12 .8HF. The Sr1 is coordinated by ten fluorine atoms from eight different [AsF 6 ]- anions, meanwhile Sr2 and Sr3 are bound to nine fluorine atoms provided by one HF and eight AsF 6 units or by two HF and six AsF 6 units, respectively. The Co 2+ is coordinated distorted-octahedrally by six fluorine atoms from two HF molecules and four different AsF 6 units. All those moieties in the crystal structure of [Co(HF) 2 ]Sr[Sr(HF)] 2 [Sr(HF) 2 ] 2 [AsF 6 ] 12 are connected into tridimensional framework. The CoSr 5 (AsF 6 ) 12 .8HF is a unique example of compound where HF molecules are directly bound via fluorine atoms to two different metal centres.

CO_2 capture in Mg oxides doped with Fe and Ni

International Nuclear Information System (INIS)

Sanchez S, I. F.

2016-01-01

In this work the CO_2 capture-desorption characteristics in Mg oxides doped with Fe and Ni obtained by the direct oxidation of Mg-Ni and Mg-Fe mixtures are presented. Mixtures of Mg-Ni and Mg-Fe in a different composition were obtained by mechanical milling in a Spex-type mill in a controlled atmosphere of ultra high purity argon at a weight / weight ratio of 4:1 powder using methanol as a lubricating agent, for 20 h. The powders obtained by mechanical milling showed as main phase, the Mg with nanocrystalline structure. Subsequently, the mixtures of Mg-Ni and Mg-Fe were oxidized within a muffle for 10 min at 600 degrees Celsius. By means of X-ray diffraction analysis, the Mg O with nano metric grain size was identified as the main phase, which was determined by the Scherrer equation. In the Mg O doped with Ni, was identified that as the Ni amount 1 to 5% by weight dispersed in the Mg O matrix was increased, the main peak intensity of the Ni phase increased, whereas in the Mg O doped with Fe was observed by XRD, that the Fe_2O_3 phase was present and by increasing the amount of Fe (1 to 5% by weight) dispersed in the crystalline phase of Mg O, the intensity of this impurity also increased. Sem-EDS analysis showed that the Ni and Fe particles are dispersed homogeneously in the Mg O matrix, and the particles are porous, forming agglomerates. Through energy dispersive spectroscopy analysis, the elemental chemical composition obtained is very close to the theoretical composition. The capture of CO_2 in the Mg O-1% Ni was carried out in a Parr reactor at different conditions of pressure, temperature and reaction time. Was determined that under the pressure of 0.2 MPa at 26 degrees Celsius for 1 h of reaction, the highest CO_2 capture of 7.04% by weight was obtained, while in Mg O-1% Fe the CO_2 capture was 6.32% by weight. The other magnesium oxides doped in 2.5 and 5% by weight Ni and Fe showed lower CO_2 capture. The different stages of mass loss and thermal

Nanocrystalline spinel ferrite (MFe{sub 2}O{sub 4}, M = Ni, Co, Mn, Mg, Zn) powders prepared by a simple aloe vera plant-extracted solution hydrothermal route

Energy Technology Data Exchange (ETDEWEB)

Phumying, Santi; Labuayai, Sarawuth; Swatsitang, Ekaphan; Amornkitbamrung, Vittaya [Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Integrated Nanotechnology Research Center (INRC), Khon Kaen University, Khon Kaen 40002 (Thailand); Maensiri, Santi, E-mail: santimaensiri@gmail.com [School of Physics, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand)

2013-06-01

Graphical abstract: This figure shows the specific magnetization curves of the as-prepared MFe{sub 2}O{sub 4} (M = Ni, Co, Mn, Mg, Zn) powders obtained from room temperature VSM measurement. These curves are typical for a soft magnetic material and indicate hysteresis ferromagnetism in the field ranges of ±500 Oe, ±1000 Oe, and ±2000 Oe for the CoFe{sub 2}O{sub 4}, MgFe{sub 2}O{sub 4} and MnFe{sub 2}O{sub 4} respectively, whereas the samples of NiFe{sub 2}O{sub 4} and ZnFe{sub 2}O{sub 4} show a superparamagnetic behavior. Highlights: ► Nanocrystalline MFe{sub 2}O{sub 4} powders were synthesized by a novel hydrothermal method. ► Metal acetylacetonates and aloe vera plant-extracted solution are used. ► This biosynthetic route is very simple and provides high-yield oxide nanomaterials. ► XRD and TEM results indicate that the prepared samples have only spinel structure. ► The maximum M{sub s} of 68.9 emu/g at 10 kOe were observed for the samples of MnFe{sub 2}O{sub 4}. - Abstract: Nanocrystalline spinel ferrite MFe{sub 2}O{sub 4} (M = Ni, Co, Mn, Mg, Zn) powders were synthesized by a novel hydrothermal method using Fe(acac){sub 3}, M(acac){sub 3} (M = Ni, Co, Mn, Mg, Zn) and aloe vera plant extracted solution. The X-ray diffraction and selected-area electron diffraction results indicate that the synthesized nanocrystalline have only spinel structure without the presence of other phase impurities. The crystal structure and morphology of the spinel ferrite powders, as revealed by TEM, show that the NiFe{sub 2}O{sub 4} and CoFe{sub 2}O{sub 4} samples contain nanoparticles, whereas the MnFe{sub 2}O{sub 4} and MgFe{sub 2}O{sub 4} samples consist of many nanoplatelets and nanoparticles. Interestingly, the ZnFe{sub 2}O{sub 4} sample contains plate-like structure of networked nanocrystalline particles. Room temperature magnetization results show a ferromagnetic behavior of the CoFe{sub 2}O{sub 4}, MnFe{sub 2}O{sub 4} and MgFe{sub 2}O{sub 4} samples, whereas the

Perpendicular magnetic anisotropy in Ta|Co40Fe40B20|MgAl2O4 structures and perpendicular CoFeB|MgAl2O4|CoFeB magnetic tunnel junction

KAUST Repository

Tao, B. S.

2014-09-08

Magnetic properties of Co40Fe40B20(CoFeB) thin films sandwiched between Ta and MgAl2O4layers have been systematically studied. For as-grown state, Ta/CoFeB/MgAl2O4structures exhibit good perpendicular magnetic anisotropy (PMA) with interface anisotropy Ki=1.22erg/cm2, which further increases to 1.30erg/cm2after annealing, while MgAl2O4/CoFeB/Ta multilayer shows in-plane magnetic anisotropy and must be annealed in order to achieve PMA. For bottom CoFeB layer, the thickness window for PMA is from 0.6 to 1.0nm, while that for top CoFeB layer is between 0.8 and 1.4nm. Perpendicular magnetic tunnel junctions (p-MTJs) with a core structure of CoFeB/MgAl2O4/CoFeB have also been fabricated and tunneling magnetoresistance ratio of about 36% at room temperature and 63% at low temperature have been obtained. The intrinsic excitations in the p-MTJs have been identified by inelastic electron-tunneling spectroscopy.

Perpendicular magnetic anisotropy in Ta|Co40Fe40B20|MgAl2O4 structures and perpendicular CoFeB|MgAl2O4|CoFeB magnetic tunnel junction

KAUST Repository

Tao, B. S.; Li, D. L.; Yuan, Z. H.; Liu, H. F.; Ali, S. S.; Feng, J. F.; Wei, H. X.; Han, X. F.; Liu, Y.; Zhao, Y. G.; Zhang, Q.; Guo, Zaibing; Zhang, Xixiang

2014-01-01

Magnetic properties of Co40Fe40B20(CoFeB) thin films sandwiched between Ta and MgAl2O4layers have been systematically studied. For as-grown state, Ta/CoFeB/MgAl2O4structures exhibit good perpendicular magnetic anisotropy (PMA) with interface anisotropy Ki=1.22erg/cm2, which further increases to 1.30erg/cm2after annealing, while MgAl2O4/CoFeB/Ta multilayer shows in-plane magnetic anisotropy and must be annealed in order to achieve PMA. For bottom CoFeB layer, the thickness window for PMA is from 0.6 to 1.0nm, while that for top CoFeB layer is between 0.8 and 1.4nm. Perpendicular magnetic tunnel junctions (p-MTJs) with a core structure of CoFeB/MgAl2O4/CoFeB have also been fabricated and tunneling magnetoresistance ratio of about 36% at room temperature and 63% at low temperature have been obtained. The intrinsic excitations in the p-MTJs have been identified by inelastic electron-tunneling spectroscopy.

Structural and electronic properties of Mg and Mg-Nb co-doped TiO2 (101) anatase surface

International Nuclear Information System (INIS)

Sasani, Alireza; Baktash, Ardeshir; Mirabbaszadeh, Kavoos; Khoshnevisan, Bahram

2016-01-01

Highlights: • Formation energy of Mg and Mg-Nb co-doped TiO_2 anatase surface (101) is studied. • Effect of Mg defect to the TiO_2 anatase (101) surface and bond length distribution of the surface is studied and it is shown that Mg defects tend to stay far from each other. • Effect of Mg and Nb to the bond length distribution of the surface studied and it is shown that these defects tend to stay close to each other. • Effects of Mg and Mg-Nb defects on DSSCs using TiO_2 anatase hosting these defects are studied. - Abstract: In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO_2 anatase (101) surfaces are studied. By studying the formation energy of the defects and the bond length distribution of the surface, it is shown that Mg defects tend to stay as far as possible to induce least possible lattice distortion while Nb and Mg defects stay close to each other to cause less stress to the surface. By investigating band structure of the surface and changes stemmed from the defects, potential effects of Mg and Mg-Nb co-doping of TiO_2 surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase J_S_C of the surface while slightly decreasing V_O_C compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

Structural and electronic properties of Mg and Mg-Nb co-doped TiO2 (101) anatase surface

Energy Technology Data Exchange (ETDEWEB)

Sasani, Alireza [Department of Science, Karaj Islamic Azad University, Karaj, Alborz, P.O. Box 31485-313 (Iran, Islamic Republic of); Baktash, Ardeshir [Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317-51167 (Iran, Islamic Republic of); Mirabbaszadeh, Kavoos, E-mail: mirabbas@aut.ac.ir [Department of Energy Engineering and Physics, Amirkabir University of Technology, Tehran, P. O. Box 15875-4413 (Iran, Islamic Republic of); Khoshnevisan, Bahram [Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317-51167 (Iran, Islamic Republic of)

2016-10-30

Highlights: • Formation energy of Mg and Mg-Nb co-doped TiO{sub 2} anatase surface (101) is studied. • Effect of Mg defect to the TiO{sub 2} anatase (101) surface and bond length distribution of the surface is studied and it is shown that Mg defects tend to stay far from each other. • Effect of Mg and Nb to the bond length distribution of the surface studied and it is shown that these defects tend to stay close to each other. • Effects of Mg and Mg-Nb defects on DSSCs using TiO{sub 2} anatase hosting these defects are studied. - Abstract: In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO{sub 2} anatase (101) surfaces are studied. By studying the formation energy of the defects and the bond length distribution of the surface, it is shown that Mg defects tend to stay as far as possible to induce least possible lattice distortion while Nb and Mg defects stay close to each other to cause less stress to the surface. By investigating band structure of the surface and changes stemmed from the defects, potential effects of Mg and Mg-Nb co-doping of TiO{sub 2} surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase J{sub SC} of the surface while slightly decreasing V{sub OC} compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

KAUST Repository

Gandi, Appala; Alshareef, Husam N.; Schwingenschlö gl, Udo

2016-01-01

MXenes, M2CO2, where M = Ti, Zr, or Hf, in order to evaluate the effect of the metal M on the thermoelectric performance. The lattice contribution to the thermal conductivity, obtained from the phonon life times, is found to be lowest in Ti2CO2

Anodic electrochemical performances of MgCo{sub 2}O{sub 4} synthesized by oxalate decomposition method and electrospinning technique for Li-ion battery application

Energy Technology Data Exchange (ETDEWEB)

Darbar, Devendrasinh [School of Mechanical and Building Science, Vellore Institute of Technology (VIT), Vellore 632014, Tamil Nadu (India); Department of Mechanical Engineering, National University of Singapore, 117576 (Singapore); Department of Physics, National University of Singapore, 117542 (Singapore); Reddy, M.V., E-mail: phymvvr@nus.edu.sg [Department of Physics, National University of Singapore, 117542 (Singapore); Department of Materials Science and Engineering, National University of Singapore, 117546 (Singapore); Sundarrajan, S. [Department of Mechanical Engineering, National University of Singapore, 117576 (Singapore); Pattabiraman, R. [School of Mechanical and Building Science, Vellore Institute of Technology (VIT), Vellore 632014, Tamil Nadu (India); Ramakrishna, S. [Department of Mechanical Engineering, National University of Singapore, 117576 (Singapore); Chowdari, B.V.R. [Department of Physics, National University of Singapore, 117542 (Singapore)

2016-01-15

Highlights: • MgCo{sub 2}O{sub 4} was prepared by oxalate decomposition method and electrospinning technique. • Electrospun MgCo{sub 2}O{sub 4} shows the reversible capacity of 795 and 227 mAh g{sup −1} oxalate decomposition MgCo{sub 2}O{sub 4} after 50 cycle. • Electrospun MgCo{sub 2}O{sub 4} show good cycling stability and electrochemical performance. - Abstract: Magnesium cobalt oxide, MgCo{sub 2}O{sub 4} was synthesized by oxalate decomposition method and electrospinning technique. The electrochemical performances, structures, phase formation and morphology of MgCo{sub 2}O{sub 4} synthesized by both the methods are compared. Scanning electron microscope (SEM) studies show spherical and fiber type morphology, respectively for the oxalate decomposition and electrospinning method. The electrospun nanofibers of MgCo{sub 2}O{sub 4} calcined at 650 °C, showed a very good reversible capacity of 795 mAh g{sup −1} after 50 cycles when compared to bulk material capacity of 227 mAh g{sup −1} at current rate of 60 mA g{sup −1}. MgCo{sub 2}O{sub 4} nanofiber showed a reversible capacity of 411 mAh g{sup −1} (at cycle) at current density of 240 mA g{sup −1}. Improved performance was due to improved conductivity of MgO, which may act as buffer layer leading to improved cycling stability. The cyclic voltammetry studies at scan rate of 0.058 mV/s show main cathodic at around 1.0 V and anodic peaks at 2.1 V vs. Li.

Examination of the magnetic hyperthermia and other magnetic properties of CoFe2O4@MgFe2O4 nanoparticles using external field Mössbauer spectroscopy

Science.gov (United States)

Park, Jeongho; Choi, Hyunkyung; Kim, Sam Jin; Kim, Chul Sung

2018-05-01

CoFe2O4@MgFe2O4 core/shell nanoparticles were synthesized by high temperature thermal decomposition with seed-mediated growth. The crystal structure and magnetic properties of the nanoparticles were investigated using X-ray diffractometry (XRD), vibrating sample magnetometry (VSM), and Mössbauer spectrometry. The magnetic hyperthermia properties were investigated using a MagneTherm device. Analysis of the XRD patterns showed that CoFe2O4@MgFe2O4 had a cubic spinel crystal structure with space group Fd-3m and a lattice constant (a0) of 8.3686 Å. The size and morphology of the CoFe2O4@MgFe2O4 nanoparticles were confirmed by HR-TEM. The VSM measurements showed that the saturation magnetization (MS) of CoFe2O4@MgFe2O4 was 77.9 emu/g. The self-heating temperature of CoFe2O4@MgFe2O4 was 37.8 °C at 112 kHz and 250 Oe. The CoFe2O4@MgFe2O4 core/shell nanoparticles showed the largest saturation magnetization value, while their magnetic hyperthermia properties were between those of the CoFe2O4 and MgFe2O4 nanoparticles. In order to investigate the hyperfine interactions of CoFe2O4, MgFe2O4, and CoFe2O4@MgFe2O4, we performed Mössbauer spectrometry at various temperatures. In addition, Mössbauer spectrometry of CoFe2O4@MgFe2O4 was performed at 4.2 K with applied fields of 0-4.5 T, and the results were analyzed with sextets for the tetrahedral A-site and sextets for the octahedral B-site.

Co2+ adsorption in porous oxides Mg O, Al2O3 and Zn O

International Nuclear Information System (INIS)

Moreno M, J. E.; Granados C, F.; Bulbulian, S.

2009-01-01

The porous oxides Mg O, Al 2 O 3 and Zn O were synthesized by the chemical combustion in solution method and characterized be means of scanning electron microscopy, energy dispersive spectroscopy and X-ray diffraction. The adsorption behavior of Co 2+ ions present in aqueous solution were studied on the synthesized materials by means of experiments lots type to ambient temperature. It was found that the cobalt ions removal was of 90% in Mg O, 65% in Zn O and 72% in Al 2 O 3 respectively, indicating that the magnesium oxide is the best material to remove Co 2+ presents in aqueous solution. (Author)

Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

KAUST Repository

Gandi, Appala

2016-02-21

We present the first report in which the thermoelectric properties of two-dimensional MXenes are calculated by considering both the electron and phonon transport. Specifically, we solve the transport equations of the electrons and phonons for three MXenes, M2CO2, where M = Ti, Zr, or Hf, in order to evaluate the effect of the metal M on the thermoelectric performance. The lattice contribution to the thermal conductivity, obtained from the phonon life times, is found to be lowest in Ti2CO2 and highest in Hf2CO2 in the temperature range from 300 K to 700 K. The highest figure of merit is predicted for Ti2CO2 . The heavy mass of the electrons due to flat conduction bands results in a larger thermopower in the case of n-doping in these compounds.

Raman spectroscopy of DNA-metal complexes. II. The thermal denaturation of DNA in the presence of Sr2+, Ba2+, Mg2+, Ca2+, Mn2+, Co2+, Ni2+, and Cd2+.

OpenAIRE

Duguid, J G; Bloomfield, V A; Benevides, J M; Thomas, G J

1995-01-01

Differential scanning calorimetry, laser Raman spectroscopy, optical densitometry, and pH potentiometry have been used to investigate DNA melting profiles in the presence of the chloride salts of Ba2+, Sr2+, Mg2+, Ca2+, Mn2+, Co2+, Ni2+, and Cd2+. Metal-DNA interactions have been observed for the molar ratio [M2+]/[PO2-] = 0.6 in aqueous solutions containing 5% by weight of 160 bp mononucleosomal calf thymus DNA. All of the alkaline earth metals, plus Mn2+, elevate the melting temperature of ...

Fabrication and spectroscopic properties of Co:MgAl2O4 transparent ceramics by the HIP post-treatment

Science.gov (United States)

Luo, Wei; Ma, Peng; Xie, Tengfei; Dai, Jiawei; Pan, Yubai; Kou, Huamin; Li, Jiang

2017-07-01

Cobalt-doped magnesium aluminate spinel (Co:MgAl2O4) is one of the most important saturable absorbers for the passive Q-switching of solid-state lasers operating at eye-safe wavelength of 1.5 μm. In this work, highly transparent Co:MgAl2O4 ceramics were fabricated by vacuum sintering combined with hot isostatic pressing (HIP) post-treatment, using the mixture of the commercial spinel and the lab-made Co:MgAl2O4 powder as the raw materials. The densification mechanism of Co:MgAl2O4 transparent ceramics was discussed. The microstructure and optical properties of the samples were investigated. The ground state absorption cross section (σGSA) was calculated from the fitted curve of the absorption coefficient spectrum. The results show that Co:MgAl2O4 ceramics fabricated by vacuum sintering at 1500 °C for 5 h and then HIP post-treatment at 1650 °C for 3 h perform good transparency, whose in-line transmittance exceeds 80% at 2500 nm. Moreover, the ground state absorption cross section of 0.02 at.% Co:MgAl2O4 ceramics is calculated to be 3.35 × 10-19 cm2 at the wavelength of 1540 nm, which is promising for the application to the passive Q-switching of solid-state laser operating in the near infrared region (NIR).

Enhanced Selectivity and Uptake Capacity of CO2 and Toluene Adsorption in Co0.5 M0.33 MoS4 (M= Sb or Y) Chalcogels by Impregnated Metal Salts

KAUST Repository

Adhiam, Fatima Abdullah Ahmed

2017-11-17

The synthesis of metal chalcogenide aerogels Co0.5M0.33MoS4 (M= Sb or Y) by the sol-gel method is reported. In this system, the building blocks [MoS4]2− chelated with Co2+ and (Sb3+) or (Y3+) salts in nonaqueous solvents forming amorphous networks with a gel property. The chalcogels obtained after supercritical drying have BET surface areas of 176 m2 g−1 (Co0.5Sb0.33MoS4) and 145 m2 g−1 (Co0.5Y0.33MoS4). Electron microscopy and physisorption studies reveal that the new materials are porous with wide pore size distribution and average pore width of 16 nm. These chalcogels show higher adsorption capacity of toluene vapor (Co0.5Sb0.33MoS4: 387 mg g−1) and (Co0.5Y0.33MoS4: 304 mg g−1) over cyclohexane vapor and high selectivity of CO2 over CH4 or H2, Co0.5Sb0.33MoS4 (CO2/H2: 80 and CO2/CH4: 21), Co0.5Y0.33MoS4 (CO2/H2: 27 and CO2/CH4: 15). We also demonstrated that the impregnation of various metal species like Li+, Mg2+, and Ni2+ significantly enhanced the uptake capacity and selectivity of toluene and CO2 adsorptions in the chacogels.

Catalytic activity of Co-Mg-Al, Cu-Mg-Al and Cu-Co-Mg-Al mixed oxides derived from hydrotalcites in SCR of NO with ammonia

Energy Technology Data Exchange (ETDEWEB)

Chmielarz, Lucjan; Kustrowski, Piotr; Rafalska-Lasocha, Alicja [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Majda, Dorota; Dziembaj, Roman [Regional Laboratory for Physicochemical Analyses and Structural Research, Ingardena 3, 30-060 Krakow (Poland)

2002-01-10

M-Mg-Al hydrotalcites (where M=Cu{sup 2+}, Co{sup 2+} and Cu{sup 2+}+Co{sup 2+}) with M ranging from 5 to 20% (as atomic ratio) were prepared by co-precipitation method. Obtained samples were characterised by XRD and TGA techniques. The influence of transition metal content on thermal decomposition of hydrotalcites was observed. Calcination of the hydrotalcites at 600C resulted in the formation of mixed oxides with surface areas in the range 71-154m{sup 2}/g. Calcined hydrotalcites were tested as catalysts in the selective reduction of NO with ammonia (NO-SCR). The catalytic activity depends on the kind of transition metal, as well as its content. For the NO-SCR the following reactivity order was found: Cu-Mg-Al>Cu-Co-Mg-Al>Co-Mg-Al. Temperature-programmed methods (TPD, TPSR, stop flow-TPD), as well as FT-IR spectroscopy have been applied to determine interaction of NO and NH{sub 3} molecules with the catalyst surface.

Thin films of thermoelectric compound Mg2Sn deposited by co-sputtering assisted by multi-dipolar microwave plasma

International Nuclear Information System (INIS)

Le-Quoc, H.; Lacoste, A.; Hlil, E.K.; Bes, A.; Vinh, T. Tan; Fruchart, D.; Skryabina, N.

2011-01-01

Highlights: → Mg 2 Sn thin films deposited by plasma co-sputtering, on silicon and glass substrates. → Formation of nano-grained polycrystalline films on substrates at room temperature. → Structural properties vary with target biasing and target-substrate distance. → Formation of the hexagonal phase of Mg 2 Sn in certain deposition conditions. → Power factor ∼5.0 x 10 -3 W K -2 m -1 for stoichiometric Mg 2 Sn films doped with ∼1 at.% Ag. - Abstract: Magnesium stannide (Mg 2 Sn) thin films doped with Ag intended for thermoelectric applications are deposited on both silicon and glass substrates at room temperature by plasma assisted co-sputtering. Characterization by scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction confirms the formation of fine-grained polycrystalline thin films with thickness of 1-3 μm. Stoichiometry, microstructure and crystal structure of thin films are found to vary with target biasing and the distance from targets to substrate. Measurements of electrical resistivity and Seebeck coefficient at room temperature show the maximum power factor of ∼5.0 x 10 -3 W K -2 m -1 for stoichiometric Mg 2 Sn thin films doped with ∼1 at.% Ag.

Photodissociation spectroscopy of the Mg + -CO2 complex and its isotopic analogs

Science.gov (United States)

Yeh, C. S.; Willey, K. F.; Robbins, D. L.; Pilgrim, J. S.; Duncan, M. A.

1993-02-01

Mg+-CO2 ion-molecule cluster complexes are produced by laser vaporization in a pulsed nozzle cluster source. The vibronic spectroscopy in these complexes is studied with mass-selected photodissociation spectroscopy in a reflectron time-of-flight mass spectrometer. Two excited electronic states are observed (2) 2Σ+ and 2Π. The 2Π state has a vibrational progression in the metal-CO2 stretching mode (ωe'=381.8 cm-1). The complexes are linear (Mg+-OCO) and are bound by the charge-quadrupole interaction. The dissociation energy (D0`) is 14.7 kcal/mol. Corresponding spectra are measured for each of the 24, 25, and 26 isotopes of magnesium. These results are compared to theoretical predictions made by Bauschlicher and co-workers.

Homoleptic diphosphacyclobutadiene complexes [M(η(4)-P2C2R2)2]x- (M = Fe, Co; x = 0, 1).

Science.gov (United States)

Wolf, Robert; Ehlers, Andreas W; Khusniyarov, Marat M; Hartl, František; de Bruin, Bas; Long, Gary J; Grandjean, Fernande; Schappacher, Falko M; Pöttgen, Rainer; Slootweg, J Chris; Lutz, Martin; Spek, Anthony L; Lammertsma, Koop

2010-12-27

The preparation and comprehensive characterization of a series of homoleptic sandwich complexes containing diphosphacyclobutadiene ligands are reported. Compounds [K([18]crown-6)(thf)(2)][Fe(η(4)-P(2)C(2)tBu(2))(2)] (K1), [K([18]crown-6)(thf)(2)][Co(η(4)-P(2)C(2)tBu(2))(2)] (K2), and [K([18]crown-6)(thf)(2)][Co(η(4)-P(2)C(2)Ad(2))(2)] (K3, Ad = adamantyl) were obtained from reactions of [K([18]crown-6)(thf)(2)][M(η(4)-C(14)H(10))(2)] (M = Fe, Co) with tBuC[triple bond]P (1, 2), or with AdC[triple bond]P (3). Neutral sandwiches [M(η(4)-P(2)C(2)tBu(2))(2)] (4: M = Fe 5: M = Co) were obtained by oxidizing 1 and 2 with [Cp(2)Fe]PF(6). Cyclic voltammetry and spectro-electrochemistry indicate that the two [M(η(4)-P(2)C(2)tBu(2))(2)](-)/[M(η(4)-P(2)C(2)tBu(2))(2)] moieties can be reversibly interconverted by one electron oxidation and reduction, respectively. Complexes 1-5 were characterized by multinuclear NMR, EPR (1 and 5), UV/Vis, and Mössbauer spectroscopies (1 and 4), mass spectrometry (4 and 5), and microanalysis (1-3). The molecular structures of 1-5 were determined by using X-ray crystallography. Essentially D(2d)-symmetric structures were found for all five complexes, which show the two 1,3-diphosphacyclobutadiene rings in a staggered orientation. Density functional theory calculations revealed the importance of covalent metal-ligand π bonding in 1-5. Possible oxidation state assignments for the metal ions are discussed.

Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.

Science.gov (United States)

Siegelman, Rebecca L; McDonald, Thomas M; Gonzalez, Miguel I; Martell, Jeffrey D; Milner, Phillip J; Mason, Jarad A; Berger, Adam H; Bhown, Abhoyjit S; Long, Jeffrey R

2017-08-02

In the transition to a clean-energy future, CO 2 separations will play a critical role in mitigating current greenhouse gas emissions and facilitating conversion to cleaner-burning and renewable fuels. New materials with high selectivities for CO 2 adsorption, large CO 2 removal capacities, and low regeneration energies are needed to achieve these separations efficiently at scale. Here, we present a detailed investigation of nine diamine-appended variants of the metal-organic framework Mg 2 (dobpdc) (dobpdc 4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) that feature step-shaped CO 2 adsorption isotherms resulting from cooperative and reversible insertion of CO 2 into metal-amine bonds to form ammonium carbamate chains. Small modifications to the diamine structure are found to shift the threshold pressure for cooperative CO 2 adsorption by over 4 orders of magnitude at a given temperature, and the observed trends are rationalized on the basis of crystal structures of the isostructural zinc frameworks obtained from in situ single-crystal X-ray diffraction experiments. The structure-activity relationships derived from these results can be leveraged to tailor adsorbents to the conditions of a given CO 2 separation process. The unparalleled versatility of these materials, coupled with their high CO 2 capacities and low projected energy costs, highlights their potential as next-generation adsorbents for a wide array of CO 2 separations.

Infrared spectroscopic investigation of M(H2PO4)2x2H2O (M=Mg, Mn, Cd) dehydration products

International Nuclear Information System (INIS)

Pechkovskij, V.V.; Dzyuba, E.D.; Mel'nikova, R.Ya.; Salonets, G.I.; Kovalishina, V.I.; Malashonok, I.E.

1982-01-01

Using the method of IR spectroscopy the composition of products separated at different stages of M(H 2 PO 4 ) 2 x2H 2 O dehydration, where M=Mg, Mn, Cd, has been investigated. It is shown that cation influence is expressed in strengthening of bond of proton-containing groups in the structure of initial compounds from magnesium to cadmium. A supposition is made that the difference in bond character of the groups more evidently expressed for partially dehydrated products of the composition M(H 2 PO 4 ) 2 , conditions a possibility of dehydration in two directions- with the formation of intermediate phase MH 2 P 2 O 7 or with separation of three phosphoric acid

Contribution to the study of Li{sub x}(Co,M)O{sub 2} phases used as cathodes in Li-ion batteries. Combined effects of the lithium sur-stoichiometry and of the substitution (M = Ni, Mg); Contribution a l'etude des phases Li{sub x}(Co,M)O{sub 2} en tant que materiaux d'electrode positive des batteries Li-ion. Effets combines de la surstoechiometrie en lithium et de la substitution (M = Ni, Mg)

Energy Technology Data Exchange (ETDEWEB)

Levasseur, St.

2001-12-01

Li{sub x0}(Co,M)O{sub 2} (M = Ni, Mg; x0 {<=} 1.0) materials used as positive electrode for Li-ion batteries have been prepared at high temperature (900 degrees C) and characterized by X-ray diffraction, galvano-static measurements, {sup 7}Li MAS NMR spectroscopy and electrical properties measurements. If the results on the LiCoO{sub 2} phase agree with the literature, the adding of an excess of lithium during synthesis leads to the presence in the actual materials to the presence of oxygen vacancies and intermediate spin Co{sup 3+} ions (Co{sup 3+(IS)}) in a square-based environment. This defect suppresses all the phase transitions usually observed upon lithium de-intercalation in Li{sub x}CoO{sub 2}. The partial substitution by Ni ions allows us to separate the relative contribution of Ni(III) and Co{sup 3+(IS)} ions in the suppression of the various phase transitions upon cycling. Mg doping, even without any lithium excess, systematically induces some oxygen vacancies and Co{sup 3+(IS)} ions in the material. This observation had been correlated to the behaviour of the Li{sub x}(Co,Mg)O{sub 2} system upon cycling. (author)

Photoluminescence and thermoluminescence properties of Eu2+ doped and Eu2+ ,Dy3+ co-doped Ba2 MgSi2 O7 phosphors.

Science.gov (United States)

Sao, Sanjay Kumar; Brahme, Nameeta; Bisen, D P; Tiwari, Geetanjali

2016-11-01

In this work, we report the preparation, characterization, comparison and luminescence mechanisms of Eu 2 + -doped and Eu 2 + ,Dy 3 + -co-doped Ba 2 MgSi 2 O 7 (BMSO) phosphors. Prepared phosphors were synthesized via a high temperature solid-state reaction method. All prepared phosphors appeared white. The phase structure, particle size, and elemental analysis were analyzed using X-ray diffraction (XRD), transmission electron microscopy (TEM) and energy-dispersive X-ray (EDX) analysis. The luminescence properties of the phosphors were investigated by thermoluminescence (TL) and photoluminescence (PL). The PL excitation and emission spectra of Ba 2 MgSi 2 O 7 :Eu 2 + showed the peak to be around 381 nm and 490 nm respectively. The PL excitation spectrum of Ba 2 MgSi 2 O 7 :Eu 2 + Dy 3 + showed the peak to be around 341 nm and 388 nm, and the emission spectrum had a broad band around 488 nm. These emissions originated from the 4f 6 5d 1 to 4f 7 transition of Eu 2 + . TL analysis revealed that the maximum TL intensity was found at 5 mol% of Eu 2 + doping in Ba 2 MgSi 2 O 7 phosphors after 15 min of ultraviolet (UV) light exposure. TL intensity was increased when Dy 3 + ions were co-doped in Ba 2 MgSi 2 O 7 :Eu 2 + and maximum TL intensity was observed for 2 mol% of Dy 3 + . TL emission spectra of Ba 1.95 MgSi 2 O 7 :0.05Eu 2 + and Ba 1.93 MgSi 2 O 7 :0.05Eu 2 + ,0.02Dy 3 + phosphors were found at 500 nm. TL intensity increased with UV exposure time up to 15 min, then decreased for the higher UV radiation dose for both Eu doping and Eu,Dy co-doping. The trap depths were calculated to be 0.54 eV for Ba 1.95 MgSi 2 O 7 :0.05Eu 2 + and 0.54 eV and 0.75 eV for Ba 1.93 MgSi 2 O 7 :0.05Eu 2 + ,0.02Dy 3 + phosphors. It was observed that co-doping with small amounts of Dy 3 + enhanced the thermoluminescence properties of Ba 2 MgSi 2 O 7 phosphor. Copyright © 2016 John Wiley & Sons, Ltd. [Correction added on 5 April 2016, after first online publication: The

Influence of Mg{sup 2+} doping on the structure and electrochemical performances of layered LiNi{sub 0.6}Co{sub 0.2-x}Mn{sub 0.2}Mg{sub x}O{sub 2} cathode materials

Energy Technology Data Exchange (ETDEWEB)

Huang, Zhenjun; Wang, Zhixing, E-mail: zxwang.csu@hotmail.com; Guo, Huajun; Li, Xinhai

2016-06-25

Introducing the Mg ion into host lattice is applied to improving the electrochemical performance of LiNi{sub 0.6}Co{sub 0.2}Mn{sub 0.2}O{sub 2}. The effect of Mg substitution for Co on the structure, morphology, electrochemical properties and Li{sup +} diffusion coefficients are investigated in details. Rietveld refinement results reveal that Mg is incorporated into the bulk lattice, which results in reduced cation mixing and expand c-lattice parameter. All Mg-doped sample exhibit better cycle and rate performances, although the Mg substitution for Co led to decreasing a part of capacity. The Li diffusion coefficients obtained by galvanostatic intermittent titration technique (GITT) are increased with increases of Mg content. - Highlights: • Mg-doped sample exhibits better electrochemical performance. • The change of crystal structure by Mg doping are studied. • The Mg doping improves the lithium ion diffusion coefficient.

Co{sup 2+} adsorption in porous oxides Mg O, Al{sub 2}O{sub 3} and Zn O;Adsorcion de Co{sup 2+} en oxidos porosos MgO, Al{sub 2}O{sub 3} y ZnO

Energy Technology Data Exchange (ETDEWEB)

Moreno M, J. E.; Granados C, F. [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Bulbulian, S., E-mail: francisco.granados@inin.gob.m [UNAM, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Ciudad Universitaria, 04510 Mexico D. F. (Mexico)

2009-07-01

The porous oxides Mg O, Al{sub 2}O{sub 3} and Zn O were synthesized by the chemical combustion in solution method and characterized be means of scanning electron microscopy, energy dispersive spectroscopy and X-ray diffraction. The adsorption behavior of Co{sup 2+} ions present in aqueous solution were studied on the synthesized materials by means of experiments lots type to ambient temperature. It was found that the cobalt ions removal was of 90% in Mg O, 65% in Zn O and 72% in Al{sub 2}O{sub 3} respectively, indicating that the magnesium oxide is the best material to remove Co{sup 2+} presents in aqueous solution. (Author)

Structure and electrochemical properties of Mg2SnO4 nanoparticles synthesized by a facile co-precipitation method

International Nuclear Information System (INIS)

Tang, Hao; Cheng, Cuixia; Yu, Gaige; Liu, Haowen; Chen, Weiqing

2015-01-01

Nanosized Mg 2 SnO 4 has been synthesized by a facile co-precipitation method. The structure and morphology of the as-prepared samples are characterized by X-ray diffraction (XRD), X-ray photoelectron spectrometer (XPS), fourier Transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). It is found that Mg 2 SnO 4 sample is very sensitive to the aging time of the precursor. The single phase Mg 2 SnO 4 nanoparticles with ∼23 nm can be obtained at 900 °C using the aging 35 min percusor as source. The electrochemical properties of the powder obtained at 900 °C are investigated by galvanostatic discharge-charge tests and cyclic voltammograms (CVs). The initial specific discharge capacity reaches as high as 927.7 mAh g −1 at 0.2 mA cm −2 in 0.05–3.0 V, which indicates that Mg 2 SnO 4 nanoparticles could be a promising candidate of anode material for Li-ion batteries. - Highlights: • Nanosized Mg 2 SnO 4 has been synthesized by a facile co-precipitation method. • We find that Mg 2 SnO 4 sample is very sensitive to the ageing time of the precursor. • The single phase Mg 2 SnO 4 nanoparticles with about 23 nm can be obtained by calcining the ageing 35 min percusor at 900 °C. • The obtained powders show a better electrochemical performance

Effects of Mg substitution on the structural and magnetic properties of Co0.5Ni0.5-x Mg x Fe2O4 nanoparticle ferrites

Science.gov (United States)

R, M. Rosnan; Z, Othaman; R, Hussin; Ali, A. Ati; Alireza, Samavati; Shadab, Dabagh; Samad, Zare

2016-04-01

In this study, nanocrystalline Co-Ni-Mg ferrite powders with composition Co0.5Ni0.5-x Mg x Fe2O4 are successfully synthesized by the co-precipitation method. A systematic investigation on the structural, morphological and magnetic properties of un-doped and Mg-doped Co-Ni ferrite nanoparticles is carried out. The prepared samples are characterized using x-ray diffraction (XRD) analysis, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), and vibrating sample magnetometry (VSM). The XRD analyses of the synthesized samples confirm the formation of single-phase cubic spinel structures with crystallite sizes in a range of ˜ 32 nm to ˜ 36 nm. The lattice constant increases with increasing Mg content. FESEM images show that the synthesized samples are homogeneous with a uniformly distributed grain. The results of IR spectroscopy analysis indicate the formation of functional groups of spinel ferrite in the co-precipitation process. By increasing Mg2+ substitution, room temperature magnetic measurement shows that maximum magnetization and coercivity increase from ˜ 57.35 emu/g to ˜ 61.49 emu/g and ˜ 603.26 Oe to ˜ 684.11 Oe (1 Oe = 79.5775 A·m-1), respectively. The higher values of magnetization M s and M r suggest that the optimum composition is Co0.5Ni0.4Mg0.1Fe2O4 that can be applied to high-density recording media and microwave devices. Project supported by the Ibnu Sina Institute for Scientific and Industrial Research, Physics Department of Universiti Teknologi Malaysia and the Ministry of Education Malaysia (Grant Nos. Q.J130000.2526.04H65).

Enhanced hydrogen storage properties of MgH2 co-catalyzed with K2NiF6 and CNTs.

Science.gov (United States)

Sulaiman, N N; Ismail, M

2016-12-06

The composite of MgH 2 /K 2 NiF 6 /carbon nanotubes (CNTs) is prepared by ball milling, and its hydrogenation properties are studied for the first time. MgH 2 co-catalyzed with K 2 NiF 6 and CNTs exhibited an improvement in the onset dehydrogenation temperature and isothermal de/rehydrogenation kinetics compared with the MgH 2 -K 2 NiF 6 composite. The onset dehydrogenation temperature of MgH 2 doped with 10 wt% K 2 NiF 6 and 5 wt% CNTs is 245 °C, which demonstrated a reduction of 25 °C compared with the MgH 2 + 10 wt% K 2 NiF 6 composite. In terms of rehydrogenation kinetics, MgH 2 doped with 10 wt% K 2 NiF 6 and 5 wt% CNTs samples absorbed 3.4 wt% of hydrogen in 1 min at 320 °C, whereas the MgH 2 + 10 wt% K 2 NiF 6 sample absorbed 2.6 wt% of hydrogen under the same conditions. For dehydrogenation kinetics at 320 °C, the MgH 2 + 10 wt% K 2 NiF 6 + 5 wt% CNTs sample released 3.3 wt% hydrogen after 5 min of dehydrogenation. By contrast, MgH 2 doped with 10 wt% K 2 NiF 6 released 3.0 wt% hydrogen in the same time period. The apparent activation energy, E a , for the dehydrogenation of MgH 2 doped with 10 wt% K 2 NiF 6 reduced from 100.0 kJ mol -1 to 70.0 kJ mol -1 after MgH 2 was co-doped with 10 wt% K 2 NiF 6 and 5 wt% CNTs. Based on the experimental results, the hydrogen storage properties of the MgH 2 /K 2 NiF 6 /CNTs composite is enhanced because of the catalytic effects of the active species of KF, KH and Mg 2 Ni that are formed in situ during dehydrogenation, as well as the unique structure of CNTs.

Critical current density improvements in MgB2 superconducting bulk samples by K2CO3 additions  

DEFF Research Database (Denmark)

Grivel, J.-C.

2018-01-01

MgB2 bulk samples with potassium carbonate doping were made by means of reaction of elemental Mg and B powders mixed with various amounts of K2CO3. The Tc of the superconducting phase as well as its a-axis parameter were decreased as a result of carbon doping. Potassium escaped the samples during...... reaction. The critical current density of MgB2 was improved both in self field and under applied magnetic field for T ≤ 30 K, with optimum results for 1 mol% K2CO3 addition. The normalized flux pinning force (f(b)) shows that the flux pinning mechanism at low field is similar for all samples, following...

Hierarchically porous MgCo2O4 nanochain networks: template-free synthesis and catalytic application

Science.gov (United States)

Guan, Xiangfeng; Yu, Yunlong; Li, Xiaoyan; Chen, Dagui; Luo, Peihui; Zhang, Yu; Guo, Shanxin

2018-01-01

In this work, hierarchically porous MgCo2O4 nanochain networks were successfully synthesized by a novel template-free method realized via a facile solvothermal synthesis followed by a heat treatment. The morphologies of MgCo2O4 precursor could be adjusted from nanosheets to nanobelts and finally to interwoven nanowires, depending on the volume ratio of diethylene glycol to deionized water in the solution. After calcination, the interwoven precursor nanowires were transformed to hierarchical MgCo2O4 nanochain networks with marco-/meso-porosity, which are composed of 10-20 nm nanoparticles connected one by one. Moreover, the relative formation mechanism of the MgCo2O4 nanochain networks was discussed. More importantly, when evaluated as catalytic additive for AP thermal decomposition, the MgCo2O4 nanochain networks show excellent accelerating effect. It is benefited from the unique hierarchically porous network structure and multicomponent effect, which effectively accelerates ammonia oxidation and {{{{ClO}}}4}- species dissociation. This approach opens the way to design other hierarchically porous multicomponent metal oxides.

Elucidation of structural, vibrational and dielectric properties of transition metal (Co2+) doped spinel Mg-Zn chromites

Science.gov (United States)

Choudhary, Pankaj; Varshney, Dinesh

2018-05-01

Co2+ doped Mg-Zn spinel chromite compositions Mg0.5Zn0.5-xCoxCr2O4 (0.0 ≤ x ≤ 0.5) have been synthesized by the high-temperature solid state method. Synchrotron and X-ray diffraction (XRD) studies show single-phase crystalline nature. The structural analysis is validated by Rietveld refinement confirms the cubic structure with space group Fd3m. Crystallite size is estimated from Synchrotron XRD which was found to be 30-34 nm. Energy dispersive analysis confirms stoichiometric Mg0.5Zn0.5-xCoxCr2O4 composition. Average crystallite size distribution is estimated from imaging software (Image - J) of SEM is in the range of 100-250 nm. Raman spectroscopy reveals four active phonon modes, and a pronounced red shift is due to enhanced Co2+ concentration. Increased Co2+ concentration in Mg-Zn chromites shows a prominent narrowing of band gap from 3.46 to 2.97 eV. The dielectric response is attributed to the interfacial polarization, and the electrical modulus study supports non-Debye type of dielectric relaxation. Ohmic junctions (minimum potential drop) at electrode interface are active at lower levels of doping (x transformer applications at high frequencies.

Raman-spectroscopic (Fe/Fe+Mg, CO2) and Structural studies of Mg-Fe cordierites

International Nuclear Information System (INIS)

Haefeker, U.

2013-01-01

In the course of this dissertation synthetic hexagonal and orthorhombic Mg-Fe-cordierites have been investigated with Raman-spectroscopy and XRD methods. Cordierite´s Mg- and Fe-end-members as well as their Mg-Fe solid solutions with the chemical formula (Mg, Fe 2+ ) 2 Al 4 Si 5 O 18 *nH 2 O have been synthesized. Raman-data of synthetic hydrous Mg- and Fe-cordierites have been obtained in the wavenumber-region 100-1250 cm-1 and the experimental data were then compared with the results of quantum-mechanical calculations. 86 theoretical bands could be related to specific vibrational modes of the tetrahedral and octahedral sites of the cordierite structure. Maximum and mean deviation between experimentally-derived bands and calculated modes were ±7 cm -1 for Mg-cordierite and ±19 cm -1 for Fe-cordierite. Spectra comparison revealed a trend of peak downshifting as a consequence of Fe-incorporation. The calculations now allow more accurate interpretation of the Raman spectra with respect to structural changes of cordierite, resulting from Al-Si ordering and Mg-Fe exchange. Atomic motions in cordierite have been compared with those of the structurally similar mineral beryl. Investigations of 16 H 2 O-bearing synthetic well-ordered Mg-Fe-cordierites (XFe =0-1) with micro-Raman spectroscopy revealed a linear correlation between the Fe/Mg ratio and the position of certain Raman peaks. The peaks (wave-number Mg-/Fe-cordierite) at 122/111, 262/257, 430/418, 579/571, 974/967, and 1012/1007 cm -1 were selected for a detailed deconvolution analysis . The shifts of these peaks were then plotted vs. XFe and regression of the data lead to the formulation of a set of linear equations. In addition, the effect of different H 2 O contents and the degree of Al-Si ordering on the Fe/Mg determination were also investigated. Testing the calibration against data from six well-characterized natural cordierite samples yielded excellent agreement. Existing calibration diagrams for CO 2

Competition Between Co(NH3)63+ and Inner Sphere Mg2+ Ions in the HDV Ribozyme

Science.gov (United States)

Gong, Bo; Chen, Jui-Hui; Bevilacqua, Philip C.; Golden, Barbara L.; Carey, Paul R.

2009-01-01

Divalent cations play critical structural and functional roles in many RNAs. While the hepatitis delta virus (HDV) ribozyme can undergo self-cleavage in the presence of molar concentrations of monovalent cations, divalent cations such as Mg2+ are required for efficient catalysis under physiological conditions. Moreover, the cleavage reaction can be inhibited with Co(NH3)63+, an analog of Mg(H2O)62+. Here, the binding of Mg2+ and Co(NH3)63+ to the HDV ribozyme are studied by Raman microscopic analysis of crystals. Raman difference spectra acquired at different metal ion conditions reveal changes in the ribozyme. When Mg2+ alone is introduced to the ribozyme, inner sphere coordination of Mg(H2O)x2+ (x≤5) to non-bridging PO2− oxygen, and changes in base stretches and phosphodiester group conformation are observed. In addition, binding of Mg2+ induces deprotonation of a cytosine assigned to the general acid C75, consistent with solution studies. When Co(NH3)63+ alone is introduced, deprotonation of C75 is again observed, as are distinctive changes in base vibrational ring modes and phosphodiester backbone conformation. In contrast to Mg2+ binding, Co(NH3)63+ binding does not perturb PO2− group vibrations, consistent with its ability to make only outer sphere contacts. Surprisingly, competitive binding studies reveal that Co(NH3)63+ ions displace some inner sphere-coordinated magnesium species, including ions coordinated to PO2− groups or the N7 of a guanine, likely G1 at the active site. These observations contrast with the tenet that Co(NH3)63+ ions displace only outer sphere magnesium ions. Overall, our data support two classes of inner sphere Mg2+-PO2− binding sites: sites that Co(NH3)63+ can displace, and others it cannot. PMID:19888753

Micropore Formation of [Zn2(Oxac) (Taz)2]·(H2O)2.5 via CO2 Adsorption.

Science.gov (United States)

Zubir, Moondra; Hamasaki, Atom; Iiyama, Taku; Ohta, Akira; Ohki, Hiroshi; Ozeki, Sumio

2017-01-24

As-synthesized [Zn 2 (Oxac) (Taz) 2 ]·(H 2 O) 2.5 , referred to as ZOTW 2.5 , was prepared from aqueous methanol solutions of Zn 5 (CO 3 ) 2 (OH) 6 and two kinds of ligands of 1,2,4-triazole (Taz) and oxalic acid (Oxac) at 453 K for 12 h. The crystal structure was determined by the Rietveld method. As-synthesized ZOTW 2.5 was pretreated at 383 K and 1 mPa for t pt h, ZOTW x (t pt h). ZOTW x (≥3h) showed a type I adsorption isotherm for N 2 at 77 K having a saturation amount (V s ) of 180 mg/g, but that pretreated shortly showed only 1/10 in V s . CO 2 was adsorbed at 303 K in sigmoid on nonporous ZOTW x (≤2h) and in Langmuir-type on ZOTW x (≥3h) to reach the adsorption amount of 120 mg/g at 700 Torr. N 2 adsorption on ZOTW x (≤2h)deCO 2 , degassed after CO 2 adsorption on ZOTW x (≤2h), was promoted 5-fold from 180 mg/g on ZOTW x (t pt h) and ZOTW x (≥3h)deCO 2 up to ca. 1000 mg/g. The interaction of CO 2 and H 2 O molecules in micropores may lead to a new route for micropore formation.

N–Mg dual-acceptor co-doping in CuCrO{sub 2} studied by first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Xu, Ying, E-mail: 1080071@hnust.edu.cn [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Nie, Guo-Zheng [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Zou, Daifeng [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Shenzhen Key Laboratory of Nanobiomechanics, Shenzhen Institutes of Advanced Technology, Chinese Academy of Science, Shenzhen 518055 (China); Tang, Jing-Wu [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Ao, Zhimin, E-mail: Zhimin.Ao@gdut.edu.cn [Institute of Environmental Health and Pollution Control, School of Environmental Science and Engineering, Guangdong University of Technology, Guangzhou 510006 (China)

2016-11-25

In this paper, N–Mg dual-acceptor co-doping in CuCrO{sub 2} is investigated by first-principles calculations. The electronic structure and formation energies of Mg substituting Cr-site, N substituting O-site, and co-doping of both Mg on Cr-site and N on O-site in CuCrO{sub 2} are calculated. It is found that the structure with N and Mg codoped at the nearest sites has the lowest energy due to a modest attractive interaction between the two dopants. Compared with single N or Mg doped CuCrO{sub 2}, the N–Mg codoped CuCrO{sub 2} has a lower formation energy and shallower transition level. In addition, the total density of states (DOS) analysis shows that more hole states appear above the Fermi level and higher DOS for N–Mg co-doping is obtained in the N–Mg codoped CuCrO{sub 2}, which is good to enhance the p-type conductivity in CuCrO{sub 2}. - Highlights: • N–Mg dual-acceptor co-doping in CuCrO{sub 2} is investigated. • N–Mg complex has a lower formation energy and shallower transition level. • More hole states appear above the Fermi level for N–Mg co-doping. • N–Mg co-doping in CuCrO{sub 2} can be expected to have more stable p-type conductivity.

Isopiestic investigation of the osmotic coefficients of MgBr{sub 2}(aq) and study of bromide salts solubility in the (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) system at T = 323.15 K. Thermodynamic model of solution behaviour and (solid + liquid) equilibria in the MgBr{sub 2}(aq), and (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) systems to high concentration and temperature

Energy Technology Data Exchange (ETDEWEB)

Christov, Christomir, E-mail: christov@svr.igic.bas.b [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, ul. ' Acad. G. Bonchev' , bl. 11, 1113 Sofia (Bulgaria)

2011-03-15

The isopiestic method has been used to determine the osmotic coefficients of the binary solutions MgBr{sub 2}(aq) (from 0.4950 to 2.5197 mol {center_dot} kg{sup -1}) at the temperature T = 323.15 K. Sodium chloride solutions have been used as isopiestic reference standards. The solubility of the bromide minerals in the mixed system (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) has been investigated at T = 323.15 K by the physico-chemical analysis method. In addition to simple salts {l_brace}KBr(cr) and MgBr{sub 2} . 6H{sub 2}O(cr){r_brace}, equilibrium crystallization of the highly incongruent double salt with stoichiometric composition 1:1:6 {l_brace}bromcarnallite: KBr . MgBr{sub 2} . 6H{sub 2}O(cr){r_brace} was also established. The results obtained from the isopiestic and solubility measurements have been combined with all other experimental thermodynamic quantities available in the literature (osmotic coefficients, and solubility of the bromide mineral) to construct a chemical model that calculates solute and solvent activities and (solid + liquid) equilibria in the MgBr{sub 2}(aq) binary, and (m{sub 1}KBr + m{sub 2}MgBr{sub 2})(aq) mixed systems from dilute to high solution concentration within the (273.15 to 438.15) K temperature range. The solubility modelling approach based on fundamental Pitzer specific interaction equations is employed. It was found, that the standard for 2-1 type of electrolytes approach with three ({beta}{sup (0)}, {beta}{sup (1)}, and C{sup {phi}}) single electrolyte ion interaction parameters gives excellent agreement with osmotic coefficients from T = (298.15 to 373.45) K; up to saturation at 298.15 K, and up to m(MgBr{sub 2}) = 5.83 mol {center_dot} kg{sup -1} at 373.45 K, and with MgBr{sub 2} {center_dot} 6H{sub 2}O(cr) equilibrium pure water solubility data within the (273.15 to 438.15) K temperature range and up to {approx}8.5 mol {center_dot} kg{sup -1} used in parameterization. The model for the ternary system gives very good

Synthesis and mechanical properties of stabilized zirconia ceramics: MgO-ZrO_2 and Y_2O_3-MgO- ZrO_2

International Nuclear Information System (INIS)

Yamagata, C.; Mello-Castanho, S.R.H.; Paschoal, J.O.A.

2014-01-01

Precursor MgO-ZrO_2 and Y_2O_3-MgO-ZrO_2 ceramic powders were synthesized by the method of co-precipitation and characterized by techniques such as laser diffraction, QELS (Quasi Elastic Light Scattering), XRD, BET, and SEM. Nanoscale powders with specific surface area higher than 60 m"2. g"-"1 was achieved. Sintered ceramic obtained from the synthesized powders, were characterized to mechanical tests using Vickers indentation technique. The addition of Y_2O_3 promoted an increase in hardness of the ceramics and total cubic crystalline phase stabilization. (author)

Description and crystal structure of albrechtschraufite, MgCa{sub 4}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]{sub 2}.17-18H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Mereiter, K. [Vienna Univ. of Technology (Austria). Inst. of Chemical Technologies and Analytics

2013-04-15

Albrechtschraufite, MgCa{sub 4}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]{sub 2}.17-18H{sub 2}O, triclinic, space group P anti 1, a = 13.569(2), b = 13.419(2), c = 11.622(2) Aa, α = 115.82(1), β = 107.61(1), γ = 92.84(1) (structural unit cell, not reduced), V = 1774.6(5) Aa{sup 3}, Z = 2, Dc = 2.69 g/cm{sup 3} (for 17.5 H{sub 2}O), is a mineral that was found in small amounts with schroeckingerite, NaCa{sub 3}F[UO{sub 2}(CO{sub 3}){sub 3}](SO{sub 4}).10H{sub 2}O, on a museum specimen of uranium ore from Joachimsthal (Jachymov), Czech Republic. The mineral forms small grain-like subhedral crystals (= 0.2 mm) that resemble in appearance liebigite, Ca{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}]. ∝ 11H{sub 2}O. Colour pale yellow-green, luster vitreous, transparent, pale bluish green fluorescence under ultraviolet light. Optical data: Biaxial negative, nX = 1.511(2), nY = 1.550(2), nZ = 1.566(2), 2V = 65(1) (λ = 589 nm), r < v weak. After qualitative tests had shown the presence of Ca, U, Mg, CO{sub 2} and H{sub 2}O, the chemical formula was determined by a crystal structure analysis based on X-ray four-circle diffractometer data. The structure was later on refined with data from a CCD diffractometer to R1 = 0.0206 and wR2 = 0.0429 for 9,236 independent observed reflections. The crystal structure contains two independent [UO{sub 2}(CO{sub 3}){sub 3}]{sup 4-} anions of which one is bonded to two Mg and six Ca while the second is bonded to only one Mg and three Ca. Magnesium forms a MgF{sub 2}(O{sub carbonate}){sub 3}(H{sub 2}O) octahedron that is linked via the F atoms with three Ca atoms so as to provide each F atom with a flat pyramidal coordination by one Mg and two Ca. Calcium is 7- and 8-coordinate forming CaFO{sub 6}, CaF{sub 2}O{sub 2}(H{sub 2}O){sub 4}, CaFO{sub 3}(H{sub 2}O){sub 4} and CaO{sub 2}(H{sub 2}O){sub 6} coordination polyhedra. The crystal structure is built up from MgCa{sub 3}F{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}].8H{sub 2}O layers parallel to (001) which

Efficient MgO-based mesoporous CO2 trapper and its performance at high temperature.

Science.gov (United States)

Han, Kun Kun; Zhou, Yu; Chun, Yuan; Zhu, Jian Hua

2012-02-15

A novel MgO-based porous adsorbent has been synthesized in a facile co-precipitation method for the first time, in order to provide a candidate for trapping CO(2) in flue gas at high temperature. The resulting composite exhibits a mesoporous structure with a wide pore size distribution, due to the even dispersion and distribution of microcrystalline MgO in the framework of alumina to form a concrete-like structure. These sorbents can capture CO(2) at high temperature (150-400°C), possessing high reactivity and stability in cyclic adsorption-desorption processes, providing competitive candidates to control CO(2) emission. Copyright © 2011 Elsevier B.V. All rights reserved.

13CO2/12CO2 isotope ratio analysis in human breath using a 2 μm diode laser

Science.gov (United States)

Sun, Mingguo; Cao, Zhensong; Liu, Kun; Wang, Guishi; Tan, Tu; Gao, Xiaoming; Chen, Weidong; Yinbo, Huang; Ruizhong, Rao

2015-04-01

The bacterium H. pylori is believed to cause peptic ulcer. H. pylori infection in the human stomach can be diagnosed through a CO2 isotope ratio measure in exhaled breath. A laser spectrometer based on a distributed-feedback semiconductor diode laser at 2 μm is developed to measure the changes of 13CO2/12CO2 isotope ratio in exhaled breath sample with the CO2 concentration of ~4%. It is characterized by a simplified optical layout, in which a single detector and associated electronics are used to probe CO2 spectrum. A new type multi-passes cell with 12 cm long base length , 29 m optical path length in total and 280 cm3 volume is used in this work. The temperature and pressure are well controlled at 301.15 K and 6.66 kPa with fluctuation amplitude of 25 mK and 6.7 Pa, respectively. The best 13δ precision of 0.06o was achieved by using wavelet denoising and Kalman filter. The application of denoising and Kalman filter not only improved the signal to noise ratio, but also shorten the system response time.

Influence of face-centered-cubic texturing of Co2Fe6B2 pinned layer on tunneling magnetoresistance ratio decrease in Co2Fe6B2/MgO-based p-MTJ spin valves stacked with a [Co/Pd](n)-SyAF layer.

Science.gov (United States)

Takemura, Yasutaka; Lee, Du-Yeong; Lee, Seung-Eun; Chae, Kyo-Suk; Shim, Tae-Hun; Lian, Guoda; Kim, Moon; Park, Jea-Gun

2015-05-15

The TMR ratio of Co2Fe6B2/MgO-based p-MTJ spin valves stacked with a [Co/Pd]n-SyAF layer decreased rapidly when the ex situ magnetic annealing temperature (Tex) was increased from 275 to 325 °C, and this decrease was associated with degradation of the Co2Fe6B2 pinned layer rather than the Co2Fe6B2 free layer. At a Tex above 325 °C the amorphous Co2Fe6B2 pinned layer was transformed into a face-centered-cubic (fcc) crystalline layer textured from [Co/Pd]n-SyAF, abruptly reducing the Δ1 coherence tunneling of perpendicular-spin-torque electrons between the (100) MgO tunneling barrier and the fcc Co2Fe6B2 pinned layer.

Infrared emissions in MgSrAl10O17:Er3+ phosphor co-doped with Yb3+/Ba2+/Ca2+ obtained by solution combustion route

International Nuclear Information System (INIS)

Singh, Vijay; Kumar Rai, Vineet; Venkatramu, V.; Chakradhar, R.P.S.; Hwan Kim, Sang

2013-01-01

An intense infrared emitting MgSrAl 10 O 17 :Er 3+ phosphor co-doped with Yb 3+ , Ba 2+ and Ca 2+ ions have been prepared by a solution combustion method. Phase purity of the derived compounds was confirmed by X-ray diffraction technique. The vibrational properties of MgSrAl 10 O 17 phosphor was studied by Fourier transform infrared spectroscopy. The broad and strong infrared emission of Er 3+ ions at around 1.53 μm was observed upon excitation at 980 nm. Effect of co-doping with the Yb 3+ , Ba 2+ and Ca 2+ ions on the infrared luminescence intensity of Er 3+ ions and the mechanism responsible for the variation in the infrared intensity have been discussed. The results indicate that these materials may be suitable for the optical telecommunication window and wavelength division multiplexing applications. - Highlights: ► The hexagonal phase of MgSrAl 10 O 17 could be obtained by the low temperature combustion method. ► The broad and strong infrared emission of Er 3+ ions at around 1.53 μm was observed. ► Effect of co-doping with the Yb 3+ , Ba 2+ and Ca 2+ ions on the infrared luminescence intensity of Er 3+ were reported.

Unusual electronic features and reactivity of the dipyridylazaallyl ligand: characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2.

Science.gov (United States)

Frazier, Brenda A; Wolczanski, Peter T; Lobkovsky, Emil B; Cundari, Thomas R

2009-03-18

Application of the dipyridylazaallyl ligand (2-py)CHNCH(2-py) (smif) to a series of first-row transition metals afforded (smif)(2)M(n) [n = 0, M = Fe (1), Co (2), Ni (3); n = +1, M = Co (2+)] and {(TMS)(2)NFe}(2)(smif)(2) (4(2)) via metathetical procedures. The Mossbauer spectrum of 1 (S = 0) and TDDFT calculations, including a UV-vis spectral simulation, reveal it to be a covalent, strong-field system with Delta(o) estimated as approximately 18,000 cm(-1) and B approximately 470 cm(-1). (smif)(2)Co (2) has S = 1/2 according to SQUID data at 10 K. DFT calculations suggest that the odd electron is localized in a smif pi* orbital, i.e., smif is redox-active. EPR-silent (smif)(2)Ni (3) has S = 1 (SQUID), and calculations show that the unpaired spins reside in the d(z(2)) and d(x(2))(-y(2)) orbitals. X-ray structural parameters suggest that low-spin d(6) 1 and 2+ are relatively symmetric D(2d) species, but 2 and 3 manifest a distortion in which one smif is canted in the plane perpendicular to the other. (smif)FeN(TMS)(2) (4) is principally monomeric in solution, but reversibly dimerizes (K(eq) approximately 10(-4) M(-1)) via C-C bond formation in the azaallyl backbone to crystallize as {(TMS)(2)NFe}(2)(smif)(2) (4(2)). The azaallyl compounds possess extraordinary UV-vis absorptivities (epsilon approximately 18,000-52,000) at 580 +/- 15 nm and 406(25) nm that have been identified as intraligand bands with C(nb) --> smif pi* character.

Improved CO_2 adsorption capacity and cyclic stability of CaO sorbents incorporated with MgO

International Nuclear Information System (INIS)

Farah Diana Mohd Daud; Kumaravel Vignesh; Srimala Sreekantan; Abdul Rahman Mohamed

2016-01-01

Calcium oxide (CaO) sorbents incorporated with magnesium oxide (MgO) were synthesized using a co-precipitation route. The sorbents were prepared with different MgO concentrations (from 5 wt% to 30 wt%). The as-prepared sorbents were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDX) and BET surface area analysis techniques. The sintering effect of CaO sorbents was decreased after the incorporation of MgO. The sorbents with 5 wt% and 10 wt% of MgO retained their CO_2 adsorption capacity over multiple cycles. Most importantly, CaO with 10 wt% MgO showed constant CO_2 adsorption capacity over 30 carbonation cycles. The results revealed that CaO with 10 wt% MgO is sufficient to produce sorbents with high surface area, good structural stability and enhanced CO_2 adsorption capacity. (authors)

Magnetic order in Pu2M3Si5 (M = Co, Ni)

International Nuclear Information System (INIS)

Bauer, E D; Tobash, P H; Mitchell, J N; Kennison, J A; Ronning, F; Scott, B L; Thompson, J D

2011-01-01

The physical properties including magnetic susceptibility, specific heat, and electrical resistivity of two new plutonium compounds Pu 2 M 3 Si 5 (M = Co, Ni) are reported. Pu 2 Ni 3 Si 5 crystallizes in the orthorhombic U 2 Co 3 Si 5 structure type, which can be considered a variant of the BaAl 4 tetragonal structure, while Pu 2 Co 3 Si 5 adopts the closely related monoclinic Lu 2 Co 3 Si 5 type. Magnetic order is observed in both compounds, with Pu 2 Ni 3 Si 5 ordering ferromagnetically at T C = 65 K then undergoing a transition into an antiferromagnetic state below T N = 35 K. Two successive magnetic transitions are also observed at T mag1 = 38 K and T mag2 = 5 K in Pu 2 Co 3 Si 5 . Specific heat measurements reveal that these two materials have a moderately enhanced Sommerfeld coefficient γ ∼ 100 mJ/mol Pu K 2 in the magnetic state with comparable RKKY and Kondo energy scales.

Infrared Spectroscopy of Gas-Phase M+(CO2)n (M = Co, Rh, Ir) Ion-Molecule Complexes.

Science.gov (United States)

Iskra, Andreas; Gentleman, Alexander S; Kartouzian, Aras; Kent, Michael J; Sharp, Alastair P; Mackenzie, Stuart R

2017-01-12

The structures of gas-phase M + (CO 2 ) n (M = Co, Rh, Ir; n = 2-15) ion-molecule complexes have been investigated using a combination of infrared resonance-enhanced photodissociation (IR-REPD) spectroscopy and density functional theory. The results provide insight into fundamental metal ion-CO 2 interactions, highlighting the trends with increasing ligand number and with different group 9 ions. Spectra have been recorded in the region of the CO 2 asymmetric stretch around 2350 cm -1 using the inert messenger technique and their interpretation has been aided by comparison with simulated infrared spectra of calculated low-energy isomeric structures. All vibrational bands in the smaller complexes are blue-shifted relative to the asymmetric stretch in free CO 2 , consistent with direct binding to the metal center dominated by charge-quadrupole interactions. For all three metal ions, a core [M + (CO 2 ) 2 ] structure is identified to which subsequent ligands are less strongly bound. No evidence is observed in this size regime for complete activation or insertion reactions.

Evaluation of Ca3(Co,M2O6 (M=Co, Fe, Mn, Ni as new cathode materials for solid-oxide fuel cells

Directory of Open Access Journals (Sweden)

Fushao Li

2015-10-01

Full Text Available Series compounds Ca3(Co0.9M0.12O6 (M=Co, Fe, Mn, Ni with hexagonal crystal structure were prepared by sol–gel route as the cathode materials for solid oxide fuel cells (SOFCs. Effects of the varied atomic compositions on the structure, electrical conductivity, thermal expansion and electrochemical performance were systematically evaluated. Experimental results showed that the lattice parameters of Ca3(Co0.9Fe0.12O6 and Ca3(Co0.9Mn0.12O6 were both expanded to certain degree. Electron-doping and hole-doping effects were expected in Ca3(Co0.9Mn0.12O6 and Ca3(Co0.9Ni0.12O6 respectively according to the chemical states of constituent elements and thermal-activated behavior of electrical conductivity. Thermal expansion coefficients (TEC of Ca3(Co0.9M0.12O6 were measured to be distributed around 16×10−6 K−1, and compositional elements of Fe, Mn, and Ni were especially beneficial for alleviation of the thermal expansion problem of cathode materials. By using Ca3(Co0.9M0.12O6 as the cathodes operated at 800 °C, the interfacial area-specific resistance varied in the order of M=Co=Mn, and the over-potential increased in the order of M=Fe≈M=Co=Ni. Among all of these compounds, Ca3(Co0.9Fe0.12O6 showed the best electrochemical performance and the power density as high as ca. 500 mW cm−2 at 800 °C achieved in the single cell with La0.8Sr0.2Ga0.83Mg0.17O2.815 as electrolyte and Ni–Ce0.8Sm0.2O1.9 as anode. Ca3(Co0.9M0.12O6 (M=Co, Fe, Mn, Ni can be used as the cost-effective cathode materials for SOFCs.

Alternative route for the preparation of CoSb3 and Mg2Si derivatives

International Nuclear Information System (INIS)

Godlewska, E.; Mars, K.; Zawadzka, K.

2012-01-01

An alternative manufacturing route has been developed for cobalt triantimonide and magnesium disilicide derivatives. Elemental powders were mixed in stoichiometric proportions, cold pressed into cylindrical preforms and heated in oxygen-free environment to initiate the exothermic reaction. According to DTA/TG measurements and observations under high-temperature microscope, the onset of reaction occurred at a temperature not exceeding the melting point of the more volatile component, i.e. antimony in the case of CoSb 3 and magnesium in the case of Mg 2 Si. The reaction products were additionally heat treated to secure homogenization. Dense sinters were obtained by hot uniaxial pressing of the obtained powders in moderate temperature-and-pressure conditions. Several advantages were identified in the proposed technology: absence of liquid phases, relatively short time of the synthesis, possibility of in-situ or ex-situ doping and grain size control. - Graphical abstract: (1) Manufacturing flow sheet for CoSb 3 (milling included) and Mg 2 Si (no milling). (2) Micrographs of CoSb 3 product. (3) Micrographs of Mg 2 Si product. Highlights: ► The combustion synthesis followed by HP was used for the manufacturing of CoSb 3 or Mg 2 Si. ► The time of reaction is shorter compared with many other synthesis methods. ► The process is scalable and practically wasteless.

Synthesis and optical properties of SiO2–Al2O3–MgO–K2CO3–CaO ...

Indian Academy of Sciences (India)

Synthesis and optical properties of SiO 2 –Al 2 O 3 –MgO–K 2 CO 3 –CaO–MgF 2 –La 2 O 3 glasses. C R GAUTA. Volume 39 Issue 3 June 2016 pp 677-682 ... Author Affiliations. C R GAUTA1. Advanced Glass and Glass Ceramic Research Laboratory, Department of Physics, University of Lucknow, Lucknow 226007, India ...

Crystal structures of KM(AsF{sub 6}){sub 3} (M{sup 2+} = Mg, Co, Mn, Zn), KCu(SbF{sub 6}){sub 3} and [Co(HF){sub 2}]Sr[Sr(HF)]{sub 2}-[Sr(HF){sub 2}]{sub 2}[AsF{sub 6}]{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Mazej, Zoran; Goreshnik, Evgeny [Jozef Stefan Institute, Ljubljana (Slovakia). Dept. of Inorganic Chemisrty and Technology

2015-05-01

The KM(AsF{sub 6}){sub 3} (M{sup 2+} = Mg, Co, Mn, Zn) and KCu(SbF{sub 6}){sub 3} compounds crystallize isotypically to previously known KNi(AsF{sub 6}){sub 3}. The main features of the structure of these compounds are rings of MF{sub 6} octahedra sharing apexes with AsF{sub 6} octahedra connected into infinite tri-dimensional frameworks. In this arrangement cavities are formed where K{sup +} cations are placed. Single crystals of CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF were obtained as one of the products after the crystallization of 3KF/CoF{sub 2}/SrF{sub 2} mixture in the presence of AsF{sub 5} in anhydrous HF. The CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF is monoclinic, C/2c (No.15), with a = 26.773(5) Aa, b = 10.087(2) Aa, c = 21.141(5) Aa, β = 93.296(13) {sup circle}, V = 5699.9(19) Aa{sup 3} at 200 K, and Z = 4. There are three crystallographically non-equivalent Sr{sup 2+} cations in the crystal structure of CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF. The Sr1 is coordinated by ten fluorine atoms from eight different [AsF{sub 6}]- anions, meanwhile Sr2 and Sr3 are bound to nine fluorine atoms provided by one HF and eight AsF{sub 6} units or by two HF and six AsF{sub 6} units, respectively. The Co{sup 2+} is coordinated distorted-octahedrally by six fluorine atoms from two HF molecules and four different AsF{sub 6} units. All those moieties in the crystal structure of [Co(HF){sub 2}]Sr[Sr(HF)]{sub 2}[Sr(HF){sub 2}]{sub 2}[AsF{sub 6}]{sub 12} are connected into tridimensional framework. The CoSr{sub 5}(AsF{sub 6}){sub 12}.8HF is a unique example of compound where HF molecules are directly bound via fluorine atoms to two different metal centres.

STABILITY OF CO2 ATMOSPHERES ON DESICCATED M DWARF EXOPLANETS

International Nuclear Information System (INIS)

Gao, Peter; Hu, Renyu; Li, Cheng; Yung, Yuk L.; Robinson, Tyler D.

2015-01-01

We investigate the chemical stability of CO 2 -dominated atmospheres of desiccated M dwarf terrestrial exoplanets using a one-dimensional photochemical model. Around Sun-like stars, CO 2 photolysis by Far-UV (FUV) radiation is balanced by recombination reactions that depend on water abundance. Planets orbiting M dwarf stars experience more FUV radiation, and could be depleted in water due to M dwarfs’ prolonged, high-luminosity pre-main sequences. We show that, for water-depleted M dwarf terrestrial planets, a catalytic cycle relying on H 2 O 2 photolysis can maintain a CO 2 atmosphere. However, this cycle breaks down for atmospheric hydrogen mixing ratios <1 ppm, resulting in ∼40% of the atmospheric CO 2 being converted to CO and O 2 on a timescale of 1 Myr. The increased O 2 abundance leads to high O 3 concentrations, the photolysis of which forms another CO 2 -regenerating catalytic cycle. For atmospheres with <0.1 ppm hydrogen, CO 2 is produced directly from the recombination of CO and O. These catalytic cycles place an upper limit of ∼50% on the amount of CO 2 that can be destroyed via photolysis, which is enough to generate Earth-like abundances of (abiotic) O 2 and O 3 . The conditions that lead to such high oxygen levels could be widespread on planets in the habitable zones of M dwarfs. Discrimination between biological and abiotic O 2 and O 3 in this case can perhaps be accomplished by noting the lack of water features in the reflectance and emission spectra of these planets, which necessitates observations at wavelengths longer than 0.95 μm

Comparative study on catalytic behavior of polynuclear Mg-Mo-complex and FeMo-co-factor of nitrogenase in reactions with C2H2, N2 and CO

International Nuclear Information System (INIS)

Bardina, N.V.; Bazhenova, T.A.; Petrova, G.N.; Shilova, A.K.; Shilov, A.E.

2006-01-01

Catalytic reduction kinetics of C 2 H 2 in the presence of the Mg-Mo-cluster {[Mg 2 Mo 8 O 22 (MeO) 6 (MeOH) 4 ] 2- [Mg(MeOH) 6 ] 2+ }·6MeOH 1 is studied. Several interdependent coordinating centers are active in reference to substrates and inhibitors in the polynuclear Mg-Mo-complex, as in the reduced by europium amalgam (μ 6 -N)MoFe 7 S 9 ·homocitrate (FeMoco, 2). Comparison of regularities in reduction mechanism of C 2 H 2 , N 2 and CO with the participation of synthetic polynuclear complex 1 and natural cluster 2 is conducted. Regularities of the studied reactions in the systems involving natural catalytic cluster FeMoco and the synthetic Mg-Mo-complex modelling of its effect are noted to be similar. The main variations the systems show as regards to the reaction with molecular nitrogen [ru

Ruthenium and osmium carbonyl nitrosyl complexes: Matrix infrared spectra and density functional calculations for M(CO){sub 2}(NO){sub 2} and M(CO)(NO) (M = Ru, Os)

Energy Technology Data Exchange (ETDEWEB)

Song, Zhenjun [Department of Chemistry, Tongji University, Shanghai 200092 (China); Wang, Xuefeng, E-mail: xfwang@tongji.edu.cn [Department of Chemistry, Tongji University, Shanghai 200092 (China); Key Laboratory of Yangtze River Water Environment, Ministry of Education, Tongji University (China)

2012-10-15

Highlights: Black-Right-Pointing-Pointer Laser-ablated ruthenium or osmium atom reactions with CO and NO mixtures in solid argon. Black-Right-Pointing-Pointer Metal carbonyl nitrosyls including M(CO)(NO) and 18-electron configuration M(CO){sub 2}(NO){sub 2} molecules (M = Ru, Os). Black-Right-Pointing-Pointer The observed absorption bands of reaction products are identified by isotopic substitution and DFT calculations. Black-Right-Pointing-Pointer The bonding and reaction mechanism are discussed in detail. -- Abstract: Laser-ablated ruthenium or osmium atom reactions with CO and NO mixtures in solid argon produce unsaturated metal carbonyl nitrosyls including M(CO)(NO) and 18-electron configuration M(CO){sub 2}(NO){sub 2} molecules (M = Ru, Os). The observed absorption bands of reaction products are identified by isotopic substitution, isotopic ratios and isotopic distributions ({sup 13}CO, {sup 15}NO, and mixtures). DFT (B3LYP and BP86) vibrational fundamental calculations reproduce observed frequencies and isotopic shifts very well. The bonding and reaction mechanism are discussed.

Synthesis, Structure, Bonding, and Reactivity of Metal Complexes Comprising Diborane(4) and Diborene(2): [{Cp*Mo(CO)2 }2 {μ-η2 :η2 -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 2 :η 2 -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.

Dolomite decomposition under CO2

International Nuclear Information System (INIS)

Guerfa, F.; Bensouici, F.; Barama, S.E.; Harabi, A.; Achour, S.

2004-01-01

Full text.Dolomite (MgCa (CO 3 ) 2 is one of the most abundant mineral species on the surface of the planet, it occurs in sedimentary rocks. MgO, CaO and Doloma (Phase mixture of MgO and CaO, obtained from the mineral dolomite) based materials are attractive steel-making refractories because of their potential cost effectiveness and world wide abundance more recently, MgO is also used as protective layers in plasma screen manufacture ceel. The crystal structure of dolomite was determined as rhombohedral carbonates, they are layers of Mg +2 and layers of Ca +2 ions. It dissociates depending on the temperature variations according to the following reactions: MgCa (CO 3 ) 2 → MgO + CaO + 2CO 2 .....MgCa (CO 3 ) 2 → MgO + Ca + CaCO 3 + CO 2 .....This latter reaction may be considered as a first step for MgO production. Differential thermal analysis (DTA) are used to control dolomite decomposition and the X-Ray Diffraction (XRD) was used to elucidate thermal decomposition of dolomite according to the reaction. That required samples were heated to specific temperature and holding times. The average particle size of used dolomite powders is 0.3 mm, as where, the heating temperature was 700 degree celsius, using various holding times (90 and 120 minutes). Under CO 2 dolomite decomposed directly to CaCO 3 accompanied by the formation of MgO, no evidence was offered for the MgO formation of either CaO or MgCO 3 , under air, simultaneous formation of CaCO 3 , CaO and accompanied dolomite decomposition

X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

International Nuclear Information System (INIS)

Shcherba, I.D.; Kotur, B.Ya.

1990-01-01

In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

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

Development of an MgO-based binder for stabilizing fine sediments and storing CO2.

Science.gov (United States)

Hwang, Kyung-Yup; Ahn, Jun-Young; Kim, Cheolyong; Seo, Jeong-Yun; Hwang, Inseong

2015-12-01

An MgO-based binder was developed that could stabilize fine dredged sediments for reuse and store CO2. Initially, a binder consisting of fly ash (FA) and blast furnace slag (BFS) was developed by using alkaline activators such as KOH, NaOH, and lime. The FA0.4-BFS0.6 binder (mixed at a FA-to-BFS weight ratio of 4:6) showed the highest compressive strength of 10.7 MPa among FA/BFS binders when 5 M KOH was used. When lime (L) was tested as an alkaline activator, the strength was comparable with those obtained when KOH or NaOH was used. The L0.1-(FA0.4BFS0.6)0.9 binder (10 % lime mixed with the FA/BFS binder) showed the highest strength of 11.0 MPa. Finally, by amending this L0.1-(FA0.4BFS0.6)0.9 binder with MgO, a novel MgO-based binder (MgO0.5-(L0.1-(FA0.4BFS0.6)0.9) 0.5) was developed, which demonstrated the 28th day strength of 11.9 MPa. The MgO-based binder was successfully applied to stabilize a fine sediment to yield a compressive strength of 4.78 MPa in 365 days, which was higher than that obtained by the Portland cement (PC) system (3.22 MPa). Carbon dioxide sequestration was evidenced by three observations: (1) the decrease in pH of the treated sediment from 12.2 to 11.0; (2) the progress of the carbonation front inward the treated sediment; and (3) the presence of magnesium carbonates. The thermogravimetric analysis (TGA) results showed that 67.2 kg of CO2 per ton of the treated sediment could be stored under the atmospheric condition during 1 year.

Flooding-related increases in CO2 and N2O emissions from a temperate coastal grassland ecosystem

Science.gov (United States)

Gebremichael, Amanuel W.; Osborne, Bruce; Orr, Patrick

2017-05-01

Given their increasing trend in Europe, an understanding of the role that flooding events play in carbon (C) and nitrogen (N) cycling and greenhouse gas (GHG) emissions will be important for improved assessments of local and regional GHG budgets. This study presents the results of an analysis of the CO2 and N2O fluxes from a coastal grassland ecosystem affected by episodic flooding that was of either a relatively short (SFS) or long (LFS) duration. Compared to the SFS, the annual CO2 and N2O emissions were 1.4 and 1.3 times higher at the LFS, respectively. Mean CO2 emissions during the period of standing water were 144 ± 18.18 and 111 ± 9.51 mg CO2-C m-2 h-1, respectively, for the LFS and SFS sites. During the growing season, when there was no standing water, the CO2 emissions were significantly larger from the LFS (244 ± 24.88 mg CO2-C m-2 h-1) than the SFS (183 ± 14.90 mg CO2-C m-2 h-1). Fluxes of N2O ranged from -0.37 to 0.65 mg N2O-N m-2 h-1 at the LFS and from -0.50 to 0.55 mg N2O-N m-2 h-1 at the SFS, with the larger emissions associated with the presence of standing water at the LFS but during the growing season at the SFS. Overall, soil temperature and moisture were identified as the main drivers of the seasonal changes in CO2 fluxes, but neither adequately explained the variations in N2O fluxes. Analysis of total C, N, microbial biomass and Q10 values indicated that the higher CO2 emissions from the LFS were linked to the flooding-associated influx of nutrients and alterations in soil microbial populations. These results demonstrate that annual CO2 and N2O emissions can be higher in longer-term flooded sites that receive significant amounts of nutrients, although this may depend on the restriction of diffusional limitations due to the presence of standing water to periods of the year when the potential for gaseous emissions are low.

Incorporation of Mg, Sr, Ba, U, and B in High-Mg Calcite Benthic Foraminifers Cultured Under Controlled pCO2

Science.gov (United States)

Not, C.; Thibodeau, B.; Yokoyama, Y.

2018-01-01

Measurement of elemental ratios (E/Ca) has been performed in two symbiont-bearing species of high-Mg calcite benthic foraminifers (hyaline, Baculogypsina sphaerulata and porcelaneous, Amphisorus hemprichii), cultured under five pCO2 levels, representing preindustrial, modern, and three predicted future values. E/Ca ratios were analyzed by Laser Ablation coupled with Inductively Coupled Plasma Mass Spectrometer (LA-ICP-MS). We measured several E/Ca, such as Mg/Ca, Sr/Ca, Ba/Ca, U/Ca, and B/Ca simultaneously. We observed that high-Mg calcite benthic foraminifers possess higher E/Ca than low-Mg calcite foraminifers, irrespective of their calcification mode (hyaline or porcelaneous). In both modes of calcification, Mg, Sr, Ba, U, and B incorporation could be controlled by Rayleigh fractionation. However, more data are needed to validate and quantify the relative importance of this process and closely investigate the presence/absence of other mechanism. Therefore, it highlights the need for a multielemental approach when looking at trace element incorporation. Finally, no significant relationship was observed between the different ratios and the pCO2 of the water, suggesting that none of the Mg/Ca, Sr/Ca, Ba/Ca, U/Ca, and B/Ca is sensitive to bottom water pCO2 or pH for these species.

Molecular structures and excited states of CpM(CO)(2) (Cp = eta(5)-C(5)H(5); M = Rh, Ir) and [Cl(2)Rh(CO)(2)](-). Theoretical evidence for a competitive charge transfer mechanism.

Science.gov (United States)

Hu, Zhenming; Boyd, Russell J; Nakatsuji, Hiroshi

2002-03-20

Molecular structures and excited states of CpM(CO)(2) (Cp = eta(5)-C(5)H(5); M = Rh, Ir) and [Cl(2)Rh(CO)(2)](-) complexes have been investigated using the B3LYP and the symmetry-adapted cluster (SAC)/SAC-configuration interaction (SAC-CI) theoretical methods. All the dicarbonyl complexes have singlet ground electronic states with large singlet-triplet separations. Thermal dissociations of CO from the parent dicarbonyls are energetically unfavorable. CO thermal dissociation is an activation process for [Cl(2)Rh(CO)(2)](-) while it is a repulsive potential for CpM(CO)(2). The natures of the main excited states of CpM(CO)(2) and [Cl(2)Rh(CO)(2)](-) are found to be quite different. For [Cl(2)Rh(CO)(2)](-), all the strong transitions are identified to be metal to ligand CO charge transfer (MLCT) excitations. A significant feature of the excited states of CpM(CO)(2) is that both MLCT excitation and a ligand Cp to metal and CO charge transfer excitation are strongly mixed in the higher energy states with the latter having the largest oscillator strength. A competitive charge transfer excited state has therefore been identified theoretically for CpRh(CO)(2) and CpIr(CO)(2). The wavelength dependence of the quantum efficiencies for the photoreactions of CpM(CO)(2) reported by Lees et al. can be explained by the existence of two different types of excited states. The origin of the low quantum efficiencies for the C-H/S-H bond activations of CpM(CO)(2) can be attributed to the smaller proportion of the MLCT excitation in the higher energy states.

Competition Between Co(NH3)63+ and Inner Sphere Mg2+ Ions in the HDV Ribozyme

OpenAIRE

Gong, Bo; Chen, Jui-Hui; Bevilacqua, Philip C.; Golden, Barbara L.; Carey, Paul R.

2009-01-01

Divalent cations play critical structural and functional roles in many RNAs. While the hepatitis delta virus (HDV) ribozyme can undergo self-cleavage in the presence of molar concentrations of monovalent cations, divalent cations such as Mg2+ are required for efficient catalysis under physiological conditions. Moreover, the cleavage reaction can be inhibited with Co(NH3)63+, an analog of Mg(H2O)62+. Here, the binding of Mg2+ and Co(NH3)63+ to the HDV ribozyme are studied by Raman microscopic ...

Formation of Aqueous MgUO2(CO3)32- Complex and Uranium Anion Exchange Mechanism onto an Exchange Resin

International Nuclear Information System (INIS)

Dong, Wenming; Brooks, Scott C

2008-01-01

The formation of and stability constants for aqueous Mg-UO2-CO3 complexes were determined using an anion exchange method. Magnesium concentration was varied (up to 20 mmol/L) at constant ionic strength (I = 0.101, 0.202, 0.304, 0.406, and 0.509 mol/kg NaNO3), pH = 8.1, total [U(VI)] = 10.4 mol/L under equilibrium with atmospheric CO2. The results indicate that only the MgUO2(CO3)32- complex is formed. The cumulative formation constant extrapolated to zero ionic strength is similar regardless of the activity correction convention used: log = 25.8 b 0.5 using Davies equation and = 25.02 b 0.08 using specific ion interaction theory (SIT). Uranium sorption onto the exchange resin decreased in the presence of Mg putatively due to the formation of MgUO2(CO3)32- that had a lower affinity for the resin than UO2(CO3)34-. Uranium sorption results are consistent with an equivalent anion exchange reaction between NO3- and UO2(CO3)34- species to retain charge neutrality regardless of Mg concentration. No Mg was associated with the anion exchange resin indicating that the MgUO2(CO3)32- complex did not sorb

Role of Mg{sub x}Ca{sub 1−x}CO{sub 3} on the physical–chemical properties and cyclic CO{sub 2} capture performance of dolomite by two-step calcination

Energy Technology Data Exchange (ETDEWEB)

Wang, Ke; Han, Dongtai, E-mail: handongtai@cumt.edu.cn; Zhao, Pengfei, E-mail: zhaopfcumt@163.com; Hu, Xiumeng; Yin, Zeguang; Wu, Di

2015-08-20

Highlights: • Two-step calcination treated dolomite sorbent was prepared and characterized. • An intermediate phase (Mg{sub x}Ca{sub 1−x}CO{sub 3}) was observed by TG and XRD results. • Mg-calcite hindered the de-mixing of Ca and Mg. • Smaller grains, larger specific surface area and pore volume were obtained. • This favorable structure resulted in a high and stable CO{sub 2} capture performance. - Abstract: Two-step calcination (CO{sub 2} and N{sub 2} atmospheres) was used to modify the microstructure of natural dolomite for high-temperature CO{sub 2} capture. Two other one-step calcinations (CO{sub 2} or N{sub 2} atmosphere) were provided for comparison. Different morphological characterizations (thermal decomposition, phase composition, morphology, and nitrogen adsorption) were performed, followed by an analysis of 30 carbonation/calcination cycles in a fixed bed reactor. During primary calcination in a CO{sub 2} atmosphere, an intermediate phase (Mg{sub x}Ca{sub 1−x}CO{sub 3}) was observed by TG and XRD results, which hindered the de-mixing of CaO and MgO in the secondary calcination in a N{sub 2} atmosphere. Therefore, two-step calcination produced smaller grains (CaO: 45.2 nm; MgO: 32.6 nm), larger specific surface area (21.08 m{sup 2}/g) and pore volume (0.082 cm{sup 3}/g) and uniform distribution of CaO and MgO, which resulted in a higher and more stable uptake of CO{sub 2} compared to the results from one-step calcinations.

Co-intercalation of Mg(2+) and Na(+) in Na(0.69)Fe2(CN)6 as a High-Voltage Cathode for Magnesium Batteries.

Science.gov (United States)

Kim, Dong-Min; Kim, Youngjin; Arumugam, Durairaj; Woo, Sang Won; Jo, Yong Nam; Park, Min-Sik; Kim, Young-Jun; Choi, Nam-Soon; Lee, Kyu Tae

2016-04-06

Thanks to the advantages of low cost and good safety, magnesium metal batteries get the limelight as substituent for lithium ion batteries. However, the energy density of state-of-the-art magnesium batteries is not high enough because of their low operating potential; thus, it is necessary to improve the energy density by developing new high-voltage cathode materials. In this study, nanosized Berlin green Fe2(CN)6 and Prussian blue Na(0.69)Fe2(CN)6 are compared as high-voltage cathode materials for magnesium batteries. Interestingly, while Mg(2+) ions cannot be intercalated in Fe2(CN)6, Na(0.69)Fe2(CN)6 shows reversible intercalation and deintercalation of Mg(2+) ions, although they have the same crystal structure except for the presence of Na(+) ions. This phenomenon is attributed to the fact that Mg(2+) ions are more stable in Na(+)-containing Na(0.69)Fe2(CN)6 than in Na(+)-free Fe2(CN)6, indicating Na(+) ions in Na(0.69)Fe2(CN)6 plays a crucial role in stabilizing Mg(2+) ions. Na(0.69)Fe2(CN)6 delivers reversible capacity of approximately 70 mA h g(-1) at 3.0 V vs Mg/Mg(2+) and shows stable cycle performance over 35 cycles. Therefore, Prussian blue analogues are promising structures for high-voltage cathode materials in Mg batteries. Furthermore, this co-intercalation effect suggests new avenues for the development of cathode materials in hybrid magnesium batteries that use both Mg(2+) and Na(+) ions as charge carriers.

Perpendicular magnetic anisotropy in Co2FeAl0.5Si0.5/MgO bottom electrodes for magnetic tunnel junctions

International Nuclear Information System (INIS)

Li, X.Q.; Wu, Y.; Gao, S.; Xu, X.G.; Miao, J.; Jiang, Y.

2013-01-01

Perpendicular magnetic anisotropy (PMA) was achieved in annealed Co 2 FeAl 0.5 Si 0.5 (CFAS)/MgO-based multilayers with good thermal stability up to 400 °C and a large anisotropy energy density K u over 2.0 × 10 5 J/m 3 . The thickness of the full-Heusler CFAS film to maintain PMA is up to 4.8 nm in which the co-existence of disordered A2, ordered B2 and fully ordered L2 1 structures is observed. X-ray photoelectron spectroscopy analysis demonstrates that the origin of the PMA is the hybridization between Co 3d and O 2p orbitals at the CFAS/MgO interface. - Highlights: • We achieved perpendicular magnetic anisotropy (PMA) in Co 2 FeAl 0.5 Si 0.5 (4.8 nm) film; • L2 1 , B2 and A2 phases coexist in perpendicular magnetic anisotropic Co 2 FeAl 0.5 Si 0.5 ; • Magnetic properties have strong dependence on the annealing temperature; • The PMA is induced by the hybridization between Co-3d and O-2p orbitals

The Li–CO2 battery: a novel method for CO2 capture and utilization

KAUST Repository

Xu, Shaomao

2013-01-01

We report a novel primary Li-CO2 battery that consumes pure CO2 gas as its cathode. The battery exhibits a high discharge capacity of around 2500 mA h g-1 at moderate temperatures. At 100 °C the discharge capacity is close to 1000% higher than that at 40 °C, and the temperature dependence is significantly weaker for higher surface area carbon cathodes. Ex-situ FTIR and XRD analyses convincingly show that lithium carbonate (Li2CO3) is the main component of the discharge product. The feasibility of similar primary metal-CO2 batteries based on earth abundant metal anodes, such as Al and Mg, is demonstrated. The metal-CO2 battery platform provides a novel approach for simultaneous capturing of CO2 emissions and producing electrical energy. © 2013 The Royal Society of Chemistry.

Studies on solid solutions based on layered honeycomb-ordered phases P2-Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn)

Energy Technology Data Exchange (ETDEWEB)

Berthelot, Romain; Schmidt, Whitney; Sleight, A.W. [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States); Subramanian, M.A., E-mail: mas.subramanian@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, OR 97331 (United States)

2012-12-15

Three complete solid solutions between the layered phases P2-Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn) have been prepared by conventional solid state method and investigated through X-ray diffraction, magnetism and optical measurements. All compositions are characterized by a M{sup 2+}/X{sup 6+} honeycomb ordering within the slabs and crystallize in a hexagonal unit cell. However, a structural transition based on a different stacking is observed as nickel (space group P6{sub 3}/mcm) is substituted by zinc or cobalt (space group P6{sub 3}22). All compositions exhibit a paramagnetic Curie-Weiss behavior at high temperatures; and the magnetic moment values confirm the presence of Ni{sup 2+} and/or Co{sup 2+} cations. The low-temperature antiferromagnetic order of Na{sub 2}Ni{sub 2}TeO{sub 6} and Na{sub 2}Co{sub 2}TeO{sub 6} is suppressed by zinc substitution. The color of the obtained compositions varies from pink, to light green and white when M=Co, Ni, Zn, respectively. - Graphical abstract: The comparison between the structure of Na{sub 2}Ni{sub 2}TeO{sub 6} (left) and Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Zn) (right) evidences the stacking difference with distinct atom sequences along the hexagonal c-axis. Highlights: Black-Right-Pointing-Pointer Solid solutions between lamellar phases Na{sub 2}M{sub 2}TeO{sub 6} (M=Co, Ni, Zn) are investigated. Black-Right-Pointing-Pointer A M{sup 2+}/X{sup 6+} honeycomb ordering characterized all the compositions. Black-Right-Pointing-Pointer A structural transition is shown when Ni is replaced by Co or Zn. Black-Right-Pointing-Pointer The low-temperature AFM ordering of Na{sub 2}Ni{sub 2}TeO{sub 6} and Na{sub 2}Co{sub 2}TeO{sub 6} is suppressed by zinc substitution. Black-Right-Pointing-Pointer Color changes from pink to light green and white when M=Co, Ni, Zn, respectively.

Measured Hugoniot states of a two-element fluid, O2 + N2, near 2 Mg/m3

International Nuclear Information System (INIS)

Schott, G.L.

1983-01-01

Measured single-shock Hugoniot quantities are reported for a 1:1 atomic mixture of the elements oxygen and nitrogen in each of two liquid initial states. One of these is the inert equimolar solution O 2 + N 2 , at T approx. = 85K, v approx. = 1.06 m 3 /Mg; the other is the pure explosive compound nitric oxide, NO, at T approx. = 122K, v approx. = 0.79 m 3 /Mg. First-shock pressures are in the range 10 to 30 GPa. The two Hugoniots have common values of specific volumes and energies near 20 GPa; that is, they intersect. This permits a novel test of attainment of steady waves with equilibrium composition, such that a single equation of state may describe the shocked reactive fluid. 5 figures

Crystal structure of the cyclo-tetraphosphates pentahydrates: M/sup II/Ag/sub 2/P/sub 4/O/sub 12/. 5H/sub 2/O (M/sup II/=Co,Ni)

Energy Technology Data Exchange (ETDEWEB)

Soua, M.; Jouini, A.; Dabbabi, M.

1989-03-15

M/sub r/=680.84, monoclinic, P2/sub 1//n, a=15.712 (3), b=7.263 (1), c=12.619 (3) A, ..beta..=91.85 (1)/sup 0/, V=1439.3 A/sup 3/, Z=4, D/sub x/=3.141, D/sub m/=3.162 Mg m/sup -3/, lambda(MoK..cap alpha..)=0.7107 A, ..mu..=2.237 mm/sup -1/, F(000)=1308, room temperature, R=0.042 for 3551 independent reflexions. The Co atoms are octahedrally surrounded by two water molecules and four O atoms, forming infinite linear chains parallel to the c axis with a period (CoH/sub 2/O)/sub 2/P/sub 4/O/sub 12/vertical stroke/sup 2-/.Co(2)O/sub 6/ shares the O(E31), O(E41), O(W2) face with Ag(2)O/sub 6/ which is linked to Ag(1)O/sub 6/ by the corner O(E42). Co(1)O/sub 6/ is linked to Ag(1)O/sub 6/ by the edge O(E11)-O(E21). Indeed, polyhedra of associated cations form another infinite chain parallel with the a axis: CoO/sub 6/ octahedra are at the intersection of these two perpendicular infinite chains.

Structural, magnetic, and dielectric properties of multiferroic Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Kamran, M.; Ullah, A. [Nanomagnetism and Nanotechnology Laboratory, International Islamic University, Islamabad 44000 (Pakistan); Rahman, S. [Department of Material Science and Engineering, University of Science and Technology of China Hefei, Anhui 230026 (China); Tahir, A. [Department of Physics, Quaid-e-Azam University, Islamabad 44000 (Pakistan); Nadeem, K., E-mail: kashif.nadeem@iiu.edu.pk [Nanomagnetism and Nanotechnology Laboratory, International Islamic University, Islamabad 44000 (Pakistan); Beijing National Laboratory for Condensed Matter Physics, National Laboratory for Superconductivity, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190 (China); Anis ur Rehman, M. [Applied Thermal Physics Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad 44000 (Pakistan); Hussain, S. [Magnetism Laboratory, Department of Physics, COMSATS Institute of Information Technology, Islamabad 44000 (Pakistan)

2017-07-01

Highlights: • Properties of multiferroic Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles have been studied. • XRD showed that CoCr{sub 2}O{sub 4} and MgCr{sub 2}O{sub 4} are cubic normal spinel structure. • Rietveld refinement of XRD showed no impurity phases. • T{sub c} and T{sub s} showed decreasing trend with increasing Mg concentration. • Dielectric properties were improved for x = 0.6 Mg concentration. - Abstract: We examined the structural, magnetic, and dielectric properties of Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles with composition x = 0, 0.2, 0.4, 0.5, 0.6, 0.8 and 1 in detail. X-ray diffraction (XRD) revealed normal spinel structure for all the samples. Rietveld refinement fitting results of the XRD showed no impurity phases which signifies the formation of single phase Co{sub 1−x}Mg{sub x}Cr{sub 2}O{sub 4} nanoparticles. The average crystallite size showed a peak behaviour with maxima at x = 0.6. Raman and Fourier transform infrared (FTIR) spectroscopy also confirmed the formation of single phase normal spinel for all the samples and exhibited dominant vibrational changes for x ≥ 0.6. For x = 0 (CoCr{sub 2}O{sub 4}), zero field cooled/field cooled (ZFC/FC) magnetization curves showed paramagnetic (PM) to ferrimagnetic (FiM) transition at T{sub c} = 97 K and a conical spiral magnetic order at T{sub s} = 30 K. The end members CoCr{sub 2}O{sub 4} (x = 0) and MgCr{sub 2}O{sub 4} (x = 1) are FiM and antiferromagnetic (AFM), respectively. T{sub c} and T{sub s} showed decreasing trend with increasing x, followed by an additional AFM transition at T{sub N} = 15 K for x = 0.6. The system finally stabilized and changed to highly frustrated AFM structure at x = 1 due to formation of pure MgCr{sub 2}O{sub 4}. High field FC curves (5T) depicted nearly no effect on spiral magnetic state, which is attributed to strong exchange B-B magnetic interactions at low temperatures. Dielectric parameters showed a non-monotonous behaviour with

Low temperature synthesis of layered NaxCoO2 and KxCoO2 from ...

Indian Academy of Sciences (India)

Unknown

Layered oxides have interesting chemical and physical properties. .... composition of these crystalline phases were obtained from scanning electron microscopy ... 2.2a Cobalt estimation: About 50 mg of the compound was dissolved in 10 ml of 6 M ... images of the parent Na0⋅2CoO2 and those ion exchanged with H+, Li+ ...

Microporous metal organic framework [M2(hfipbb)2(ted)] (M=Zn, Co; H2hfipbb=4,4-(hexafluoroisopropylidene)-bis(benzoic acid); ted=triethylenediamine): Synthesis, structure analysis, pore characterization, small gas adsorption and CO2/N2 separation properties

Science.gov (United States)

Xu, William W.; Pramanik, Sanhita; Zhang, Zhijuan; Emge, Thomas J.; Li, Jing

2013-04-01

Carbon dioxide is a greenhouse gas that is a major contributor to global warming. Developing methods that can effectively capture CO2 is the key to reduce its emission to the atmosphere. Recent research shows that microporous metal organic frameworks (MOFs) are emerging as a promising family of adsorbents that may be promising for use in adsorption based capture and separation of CO2 from power plant waste gases. In this work we report the synthesis, crystal structure analysis and pore characterization of two microporous MOF structures, [M2(hfipbb)2(ted)] (M=Zn (1), Co (2); H2hfipbb=4,4-(hexafluoroisopropylidene)-bis(benzoic acid); ted=triethylenediamine). The CO2 and N2 adsorption experiments and IAST calculations are carried out on [Zn2(hfipbb)2(ted)] under conditions that mimic post-combustion flue gas mixtures emitted from power plants. The results show that the framework interacts with CO2 strongly, giving rise to relatively high isosteric heats of adsorption (up to 28 kJ/mol), and high adsorption selectivity for CO2 over N2, making it promising for capturing and separating CO2 from CO2/N2 mixtures.

The magnetic Curie temperature and exchange coupling between cations in tetragonal spinel oxide Mn{sub 2.5}M{sub 0.5}O{sub 4} (M = Co, Ni, Mn, Cr, and Mg) films

Energy Technology Data Exchange (ETDEWEB)

Kuo, K.; Cheng, C. W.; Chern, G. [Physics Department and SPIN Research Center, National Chung Cheng University, Chia-Yi, Taiwan, 621 (China)

2012-04-01

Mn{sub 3}O{sub 4} is a Jahn-Taller tetragonal ferrite that has a relatively low Curie temperature (T{sub c}) of {approx}43 K due to weak coupling between the canting spins. In this study, we fabricated a series of 100-nm-thick Mn{sub 2.5}M{sub 0.5}O{sub 4} (M = Co, Ni, Mn, Cr, and Mg) films via oxygen-plasma-assisted molecular beam epitaxy and measured the structural and magnetic properties of these films. These films show single phase quality, and the c-axis lattice parameter of pure Mn{sub 3}O{sub 4} is 0.944 nm, with a c/a ratio {approx}1.16, consistent with the bulk values. The replacement of Mn by M (M = Co, Ni, Cr, and Mg) changes the lattice parameters, and the c/a ratio varies between 1.16 and 1.06 depending upon the cation distribution of the films. The magnetic Curie temperatures of these films also vary in the range of 25-66 K in that Ni and Co enhance the T{sub c} whereas Mg reduces the T{sub c} (Cr shows no effect on the T{sub c}). These changes to the T{sub c} are related to both the element electronic state and the cation distributions in these compounds. As a non-collinear spin configuration can induce electrical polarization, the present study provides a systematic way to enhance the magnetic transition temperature in tetragonal spinel ferrites.

Effect of Mg"2"+ ions co-doping on timing performance and radiation tolerance of Cerium doped Gd_3Al_2Ga_3O_1_2 crystals

International Nuclear Information System (INIS)

Lucchini, M.T.; Babin, V.; Bohacek, P.; Gundacker, S.; Kamada, K.; Nikl, M.; Petrosyan, A.; Yoshikawa, A.; Auffray, E.

2016-01-01

Inorganic scintillators with high density and high light yield are of major interest for applications in medical imaging and high energy physics detectors. In this work, the optical and scintillation properties of Mg co-doped Ce:Gd_3Al_2Ga_3O_1_2 crystals, grown using Czochralski technique, have been investigated and compared with Ce:Gd_3Al_2Ga_3O_1_2 ones prepared with identical technology. Improvements in the timing performance of the Mg co-doped samples with respect to Ce:Gd_3Al_2Ga_3O_1_2 ones have been measured, namely a substantial shortening of the rise time and scintillation decay components and lower afterglow were achieved. In particular, a significantly better coincidence time resolution of 233 ps FWHM, being a fundamental parameter for TOF-PET devices, has been observed in Mg co-doped crystals. The samples have also shown a good radiation tolerance under high doses of γ-rays, making them suitable candidates for applications in harsh radiation environments, such as detectors at future collider experiments.

Mg/Ca- Δ CO3porewater2- -temperature calibration for Globobulimina spp.: A sensitive paleothermometer for deep-sea temperature reconstruction

Science.gov (United States)

Weldeab, Syee; Arce, Adam; Kasten, Sabine

2016-03-01

Existing benthic foraminiferal Mg/Ca-temperature calibrations are surrounded by substantial uncertainties mainly due to low temperature sensitivity of Mg/Ca in most benthic foraminifers and the effect of carbonate ion concentration on benthic foraminiferal Mg/Ca. Here we present Mg/Ca analysis of Rose Bengal stained and exceptionally well-preserved tests of the infaunal benthic foraminifer Globobulimina spp. from 39 eastern equatorial Atlantic core top samples. Mg/Ca in Globobulimina spp. varies between 2.5 mmol/mol and 9.1 mmol/mol corresponding to bottom water temperatures (BWT) between 1.8 °C and 19.1 °C and Δ CO3pore water2- between 33.7 ± 4 and - 34.3 ± 4 μmol /kg in sediment depths between 1 and 10 cm. Mg/Ca and BWT are linearly correlated with a best fit of Mg/Ca [mmol/mol] = (0.36 ± 0.02) * BWT [°C] + 2.22 ± 0.19 (r2 = 0.92, p-value: 11 *10-20, and n = 39). Using total alkalinity and pH data of pore water samples from 64 Atlantic multi-corer sites, we obtained Δ CO3pore water2- data from the depth habitat range of Globobulimina spp. (≥1 cm ≤ 10 cm below sediment surface). We show that Δ CO3pore waterSUP>2- is significantly lower than and linearly co-varies with the ΔCO2-3 of the overlying bottom water: Δ CO3pore water2- = (0.67 ± 0.05) * Δ CO3bottom water2- - (39.84 ± 1.98); r2 = 0.75, p-value: 6 *10-20, n = 64. We found a Mg/Ca sensitivity of 0.009 ± 0.0044 mmol /mol per μmol/kg Δ CO3pore water2- and Mg/Ca temperature sensitivity of 0.32 ± 0.06 mmol /mol / °C after a correction for the Δ CO3pore water2- effect. This study provides a robust Mg/Ca-temperature calibration, highlights that Δ CO3pore water2- is spatially and most likely temporally variable, and contradicts the notion that infaunal foraminiferal Mg/Ca is relatively immune from ΔCO2-3 changes in the overlying bottom water. Furthermore, comparison of down core Mg/Ca data of Cibicides pachyderma and Globobulimina spp. demonstrates that the high temperature sensitivity of

Synergistic effect of Ti and F co-doping on dehydrogenation properties of MgH2 from first-principles calculations

International Nuclear Information System (INIS)

Zhang, J.; Huang, Y.N.; Mao, C.; Peng, P.

2012-01-01

Highlights: ► The co-incorporation of Ti and F into MgH 2 lattice is energetically favorable. ► The incorporated Ti and F in MgH 2 preferably generate TiH 2 and MgF 2 , respectively. ► The synergistic effect of Ti and F is superior to that of pure Ti. ► The weakened interactions of Mg–H explain enhanced dehydrogenation properties. - Abstract: The energetic and electronic properties of MgH 2 co-doped with Ti and F are investigated using first-principles calculations based on density functional theory. The calculation results show that incorporation of Ti combined with F atoms into MgH 2 lattice is energetically favorable relative to single incorporation of Ti atom. After dehydrogenation, the co-doped Ti and F in MgH 2 preferably generate TiH 2 and MgF 2 , respectively. Comparatively, the combined effect of Ti and F in improving the dehydrogenation properties of MgH 2 is superior to that of pure Ti. These results provide a reasonable explanation for experimental observations. Analysis of electronic structures suggests the enhanced dehydrogenation properties of doped MgH 2 can be attributed to the weakened bonding interactions between Mg and H due to foreign species doping.

CO2 Absorption and Magnesium Carbonate Precipitation in MgCl2–NH3–NH4Cl Solutions: Implications for Carbon Capture and Storage

Directory of Open Access Journals (Sweden)

Chen Zhu

2017-09-01

Full Text Available CO2 absorption and carbonate precipitation are the two core processes controlling the reaction rate and path of CO2 mineral sequestration. Whereas previous studies have focused on testing reactive crystallization and precipitation kinetics, much less attention has been paid to absorption, the key process determining the removal efficiency of CO2. In this study, adopting a novel wetted wall column reactor, we systematically explore the rates and mechanisms of carbon transformation from CO2 gas to carbonates in MgCl2–NH3–NH4Cl solutions. We find that reactive diffusion in liquid film of the wetted wall column is the rate-limiting step of CO2 absorption when proceeding chiefly through interactions between CO2(aq and NH3(aq. We further quantified the reaction kinetic constant of the CO2–NH3 reaction. Our results indicate that higher initial concentration of NH4Cl ( ≥ 2 mol · L − 1 leads to the precipitation of roguinite [ ( NH 4 2 Mg ( CO 3 2 · 4 H 2 O ], while nesquehonite appears to be the dominant Mg-carbonate without NH4Cl addition. We also noticed dypingite formation via phase transformation in hot water. This study provides new insight into the reaction kinetics of CO2 mineral carbonation that indicates the potential of this technique for future application to industrial-scale CO2 sequestration.

Regulated deficit irrigation can decrease soil CO2 emissions in fruit orchards

Science.gov (United States)

Zornoza, Raul; Acosta, José Alberto; Martínez-Martínez, Silvia; De la Rosa, Jose M.°; Faz, Angel; Pérez-Pastor, Alejandro

2016-04-01

Irrigation water restrictions in the Mediterranean area have created a growing interest in water conservation. Apart from environmental and economic benefits by water savings, regulated deficit irrigation (RDI) may contribute to reduce soil CO2 emissions and enhance C sequestration in soils, by decreasing microbial and root activity in response to decreased soil moisture levels. An experiment was established in four orchards (peach, apricot, Saturn peach and grape) to investigate the effects of regulated deficit irrigation (RDI) on soil CO2 emissions. Two irrigation treatments were assayed: full irrigation (FI), and RDI, irrigated as FI except for postharvest period (peach, apricot, Saturn peach) or post-veraison period (grape) were 50% of FI was applied. The application of deficit caused a significant decrease in CO2 emission rates, with rates in average of 90 mg CO2-C m-2 h-1, 120 mg CO2-C m-2 h-1, 60 mg CO2-C m-2 h-1 and 60 mg CO2-C m-2 h-1 lower than FI during the period when deficit was applied for peach, apricot, Saturn peach and grape. This confirms the high effectiveness of the RDI strategies not only to save water consumption but also to decrease soil CO2 emissions. However, monitoring during longer periods is needed to verify that this trend is long-term maintained, and assess if soil carbon stocks are increase or most CO2 emissions derive from root respiration. Acknowledgements This work has been funded by the European Union LIFE+ project IRRIMAN (LIFE13 ENV/ES/000539).

Flux pinning behaviors of Ti and C co-doped MgB{sub 2} superconductors

Energy Technology Data Exchange (ETDEWEB)

Yang, Y.; Zhao, D.; Shen, T.M.; Li, G.; Zhang, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Feng, Y. [Northwest Institute for Nonferrous Metal Research, P.O. Box 51, Xian, Shaanxi 710016 (China); Western Superconductivity Technology Company, Xian (China); Cheng, C.H. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia); Zhang, Y.P. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhao, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)], E-mail: yzhao@swjtu.edu.cn

2008-09-15

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

Co2+-doped diopside: crystal structure and optical properties

Science.gov (United States)

Gori, C.; Tribaudino, M.; Mezzadri, F.; Skogby, H.; Hålenius, U.

2018-05-01

Synthetic clinopyroxenes along the CaMgSi2O6-CaCoSi2O6 join were investigated by a combined chemical-structural-spectroscopic approach. Single crystals were synthesized by flux growth methods, both from Ca-saturated and Ca-deficient starting compositions. Single crystal structure refinements show that the incorporation of Co2+ at the octahedrally coordinated cation sites of diopside, increases the unit-cell as well as the M1 and the M2 polyhedral volumes. Spectroscopic investigations (UV-VIS-NIR) of the Ca-rich samples reveal three main optical absorption bands, i.e. 4 T 1g → 4 T 2g( F), 4 T 1g → 4 A 2g( F) and 4 T 1g → 4 T 1g( P) as expected for Co2+ at a six-coordinated site. The bands arising from the 4 T 1g → 4 T 2g( F) and the 4 T 1g → 4 T 1g( P) electronic transitions, are each split into two components, due to the distortions of the M1 polyhedron from ideal Oh-symmetry. In spectra of both types, a band in the NIR range at ca 5000 cm-1 is caused by the 4 A 2g → 4 T 1g( F) electronic transition in Co2+ in a cubic field in the M2 site. Furthermore, an additional component to a band system at 14,000 cm-1, due to electronic transitions in Co2+ at the M2 site, is recorded in absorption spectra of Ca-deficient samples. No variations in Dq and Racah B parameters for Co2+ at the M1 site in response to compositional changes, were demonstrated, suggesting complete relaxation of the M1 polyhedron within the CaMgSi2O6-CaCoSi2O6 solid solution.

Specific heat and thermodynamic functions of uranovanadates of the M2+(VUO6)2 · nH2O series (M2+ = Mg, Ca, Sr, Ba, Pb)

International Nuclear Information System (INIS)

Karyakin, N.V.; Chernorukov, N.G.; Sulejmanov, E.V.; Trostin, V.L.; Alimzhanov, M.I.; Razuvaeva, E.A.

1999-01-01

Isobaric specific heat of crystal uranovanadates Ca(VUO 6 ) 2 · 8H 2 O, Ba(VUO 6 ) 2 · 4H 2 O in the temperature range of 10 - 300 K and of M 1 (VUO 6 ) 2 · 5H 2 O, (M 1 = Mg, Ca, Sr, Pb) at 80 -300 K are measured by the method of adiabatic vacuum calorimetry. The functions H 0 (T) - H 0 (0), S 0 (T), G 0 (T) - H 0 (T) for all the above-mentioned compounds in the range of 0 - 300 K have been calculated, the standard entropies and Gibbs functions of uranovanadates formation at 298.15 K being calculated as well [ru

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

Synthesis of basalt fiber@Zn{sub 1-x}Mg{sub x}O core/shell nanostructures for selective photoreduction of CO{sub 2} to CO

Energy Technology Data Exchange (ETDEWEB)

Kwak, Byeong Sub; Kim, Kang Min [Department of Chemistry, College of Science, Yeungnam University, Gyeongsan, Gyeongbuk 38541 (Korea, Republic of); Park, Sun-Min, E-mail: psm@kicet.re.kr [Korea Institute of Ceramic Engineering and Technology (KICET), Jinju, Gyeongnam 52851 (Korea, Republic of); Kang, Misook, E-mail: mskang@ynu.ac.kr [Department of Chemistry, College of Science, Yeungnam University, Gyeongsan, Gyeongbuk 38541 (Korea, Republic of)

2017-06-15

Highlights: • ZnO and Zn{sub 1-x}Mg{sub x}O crystals were grown onto the BFs. • The core@shell structured BF@Zn{sub 1-x}Mg{sub x}O particles significantly increased the adsorption of CO{sub 2} gas. • The BF@ZnO or BF@Zn{sub 1-x}Mg{sub x}O particles selectively reduce the carbon dioxide to carbon monoxide. - Abstract: This study focused on the development of a catalyst for converting carbon dioxide, the main cause of global warming, into a beneficial energy source. Core@shell structured particles, BF@ZnO and BF@Zn{sub 1-x}Mg{sub x}O, are synthesized in order to selectively obtain CO gas from the photoreduction of CO{sub 2}. A modified sol-gel process is used to synthesize the core@shell structures with a three-dimensional microstructure, which are subsequently characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrometry (EDAX), ultraviolet (UV)–vis absorption, photoluminescence (PL), and photocurrent density analysis. The CO{sub 2} adsorption abilities of the core@shell particles are estimated through CO{sub 2}-temperature programmed desorption (TPD). The core@shell structured BF@Zn{sub 1-x}Mg{sub x}O particles including the Mg ingredient significantly increased the adsorption of CO{sub 2} gas at the microfiber/nanoparticle interface. Both the BF@ZnO and BF@Zn{sub 1-x}Mg{sub x}O particles selectively reduce the carbon dioxide to carbon monoxide, with almost no other reduced products being observed. These results are attributed to the effective adsorption of CO{sub 2} gas and inhibited recombination of the photogenerated electron–hole pairs. BF@Zn{sub 0.75}Mg{sub 0.25}O exhibited superior photocatalytic behavior and selectively produced 5.0 μmolg{sub cat}{sup −1} L{sup −1} of CO gas after 8 h of reaction.

Hydrogen storage properties of LaMgNi3.6M0.4 (M = Ni, Co, Mn, Cu, Al) alloys

International Nuclear Information System (INIS)

Yang, Tai; Zhai, Tingting; Yuan, Zeming; Bu, Wengang; Xu, Sheng; Zhang, Yanghuan

2014-01-01

Highlights: • La–Mg–Ni system AB 2 -type alloys were prepared by induction melting. • Structures and lattice parameters were analysed by XRD. • Hydrogen absorption/desorption performances were studied. • Mechanisms of hydrogen absorption capacity fading were investigated. - Abstract: LaMgNi 3.6 M 0.4 (M = Ni, Co, Mn, Cu, Al) alloys were prepared through induction melting process. The phase compositions and crystal structures were characterised via X-ray diffraction (XRD). The hydrogen storage properties, including activation performance, hydrogen absorption capacity, cycle stability, alloy particle pulverisation and plateau pressure, were systemically investigated. Results show that Ni, Co, Mn and Cu substitution alloys exhibit multiphase structures comprising the main phase LaMgNi 4 and the secondary phase LaNi 5 . However, the secondary phase of the Al substitution alloy changes into LaAlNi 4 . The lattice parameters and cell volumes of the LaMgNi 4 phase follow the order Ni < Co < Al < Cu < Mn. Activation is simplified through partial substitution of Ni with Al, Cu and Co. The hydrogen absorption capacities of all of the alloys are approximately 1.7 wt.% at the first activation process; however, they rapidly decrease with increasing cycle number. In addition, the stabilities of hydriding and dehydriding cycles decrease in the order Al > Co > Ni > Cu > Mn. Hydriding processes result in numerous cracks and amorphisation of the LaMgNi 4 phase in the alloys. The p–c isotherms were determined by a Sieverts-type apparatus. Two plateaus were observed for the Ni, Co and Al substitution alloys, whereas only one plateau was found for Mn and Cu. This result was caused by the amorphisation of the LaMgNi 4 phase during the hydriding cycles. Reversible absorption and desorption of hydrogen are difficult to achieve. Substitutions of Ni with Co, Mn, Cu and Al significantly influence the reduction of hysteresis between hydriding and dehydriding

Emulsion-phase synthesis of honeycomb-like Mg{sub 5}(OH){sub 2}(CO{sub 3}){sub 4}.4H{sub 2}O micro-spheres and subsequent decomposition to MgO

Energy Technology Data Exchange (ETDEWEB)

Gao Guo, E-mail: gaogaoguoguo@yahoo.com.c [Department of Bio-Nano-Science and Engineering, National Key Laboratory of Nano/Micro Fabrication Technology, Key Laboratory for Thin Film and Microfabrication of Ministry of Education, Institute of Micro-Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China); Xiang Lan, E-mail: xianglan@mail.tsinghua.edu.c [Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China)

2010-04-09

Herein we report a simple emulsion-phase route for the synthesis of honeycomb-like basic magnesium carbonate (BMC, Mg{sub 5}(OH){sub 2}(CO{sub 3}){sub 4}.4H{sub 2}O) micro-spheres at 80 {sup o}C. Magnesium(II) salts in water are precipitated by sodium carbonate in the presence of cetyltrimethylammonium bromide (CTAB). Scanning electron microscopy shows the obtained BMC samples are composed of a lot of micro-spheres (diameter ranging from 8 to 10 {mu}m) which are interweaved by a lot of nano-sized thin sheets (thickness of 20-30 nm and length >1 {mu}m). The BMC micro-spheres prepared by this approach are porous and appear to be hollow structures. The size and shape of BMC are related to the CTAB concentration and temperature. The lower concentration of CTAB resulted in the decrease of the micro-spheres sizes. When the temperature was elevated to 110 {sup o}C, hexagonal tablets (thickness of 20 nm, length of each side varies from 400 to 600 nm) can be prepared. After the calcinations for BMC at 600 {sup o}C for 2 h, BMC are almost completely converted to MgO. Transmission electron microscopy indicates that the obtained MgO samples have a poly-crystalline feature. The possible formation mechanism of BMC micro-spheres has been discussed.

Sono-synthesis and characterization of bimetallic Ni-Co/Al2O3-MgO nanocatalyst: Effects of metal content on catalytic properties and activity for hydrogen production via CO2 reforming of CH4.

Science.gov (United States)

Abdollahifar, Mozaffar; Haghighi, Mohammad; Babaluo, Ali Akbar; Talkhoncheh, Saeed Khajeh

2016-07-01

Sono-dispersion of Ni, Co and Ni-Co over Al2O3-MgO with Al/Mg ratio of 1.5 was prepared and tested for dry reforming of methane. The samples were characterized by XRD, FESEM, PSD, EDX, TEM, BET and FTIR analyses. In order to assess the effect of ultrasound irradiation, Ni-Co/Al2O3-MgO with Co content of 8% prepared via sonochemistry and impregnation methods. The sono-synthesized sample showed better textural properties and higher activity than that of impregnated one. Comparison of XRD patterns indicated that the NiO peaks became broader by increasing Co content over the support. The FESEM images displayed the particles are small and well-dispersed as a result of sonochemistry method. Also, EDX analysis demonstrated better dispersion of Ni and Co as a result of sonochemistry method in confirmation of XRD analysis. The sono-synthesized Ni-Co/Al2O3-MgO as a superior nanocatalyst with Co content of 3% illustrates much higher conversions (97.5% and 99% for CH4 and CO2 at 850 °C), yields (94% and 96% for H2 and CO at 850 °C) and 0.97 of H2/CO molar ratio in all samples using an equimolar feed ratio at 850 °C. During the 1200 min stability test, H2/CO molar ratio remained constant for the superior nanocatalyst. Copyright © 2016 Elsevier B.V. All rights reserved.

Enhanced luminescent properties of long-persistent Sr{sub 2}MgSi{sub 2}O{sub 7}:Eu{sup 2+}, Dy{sup 3+} phosphor prepared by the co-precipitation method

Energy Technology Data Exchange (ETDEWEB)

Pan Wen [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Zhongshan Road 158-43, Dalian Liaoning 116012 (China); Ning Guiling [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Zhongshan Road 158-43, Dalian Liaoning 116012 (China)], E-mail: ninggl@dlut.edu.cn; Zhang Xu; Wang Jing; Lin Yuan; Ye Junwei [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Zhongshan Road 158-43, Dalian Liaoning 116012 (China)

2008-12-15

Sr{sub 2}MgSi{sub 2}O{sub 7}:Eu{sup 2+}, Dy{sup 3+} phosphors were prepared by the (aminopropyl)-triethoxysilane (APTES) co-precipitation method. Effects of synthesis temperature on the crystal characteristics, luminescent properties and afterglow performance of Sr{sub 2}MgSi{sub 2}O{sub 7}:Eu{sup 2+}, Dy{sup 3+} phosphors have been discussed in detail and compared with the corresponding commercial product. The experimental results indicated that the sample could be synthesized at a relatively lower temperature and had better performance on the above-mentioned properties using the co-precipitation method.

Soil CO2 flux from three ecosystems in tropical peatland of Sarawak, Malaysia

International Nuclear Information System (INIS)

Melling, Lulie; Hatano, Ryusuke

2005-01-01

Soil CO 2 flux was measured monthly over a year from tropical peatland of Sarawak, Malaysia using a closed-chamber technique. The soil CO 2 flux ranged from 100 to 533 mg C/m 2 /h for the forest ecosystem, 63 to 245 mg C/m 2 /h for the sago and 46 to 335 mg C/m 2 /h for the oil palm. Based on principal component analysis (PCA), the environmental variables over all sites could be classified into three components, namely, climate, soil moisture and soil bulk density, which accounted for 86% of the seasonal variability. A regression tree approach showed that CO 2 flux in each ecosystem was related to different underlying environmental factors. They were relative humidity for forest, soil temperature at 5 cm for sago and water-filled pore space for oil palm. On an annual basis, the soil CO 2 flux was highest in the forest ecosystem with an estimated production of 2.1 kg C/m 2 /yr followed by oil palm at 1.5 kg C/m 2 /yr and sago at 1.1 kg C/m 2 /yr. The different dominant controlling factors in CO 2 flux among the studied ecosystems suggested that land use affected the exchange of CO 2 between tropical peatland and the atmosphere

Environmental Benign Synthesis of Lithium Silicates and Mg-Al Layered Double Hydroxide from Vermiculite Mineral for CO2 Capture

Directory of Open Access Journals (Sweden)

Yu Zhang

2017-04-01

Full Text Available This research introduces a completely new environmental benign synthesis route for obtaining two kinds of inter-mediate and high temperature CO2 sorbents, Mg-Al layered double hydroxide (LDH and Li4SiO4, from vermiculite. The mineral vermiculite was leached with acid, from which the obtained SiO2 was used for the synthesis of Li4SiO4 and the leaching waste water was used for the synthesis of Mg-Al LDH. Therefore, no waste was produced during the whole process. Both Li4SiO4 and Mg-Al LDH sorbents were carefully characterized using XRD, SEM, and BET analyses. The CO2 capturing performance of these two sorbents was comprehensively evaluated. The influence of the Li/Si ratio, calcination temperature, calcination time, and sorption temperature on the CO2 sorption capacity of Li4SiO4, and the sorption temperature on the CO2 sorption capacity of LDH, were investigated. The optimal leaching acid concentration for vermiculite and the CO2 sorption/desorption cycling performance of both the Li4SiO4 and Mg-Al LDH sorbents were determined. In sum, this demonstrated a unique and environment-friendly scheme for obtaining two CO2 sorbents from cheap raw materials, and this idea is applicable to the efficient utilization of other minerals.

Influencia de la síntesis y del grado de dopaje en las propiedades morfológicas, estructurales y electroquímicas de óxidos LiCo1‑xMxO2 (M = Ni, Al, Mg

Directory of Open Access Journals (Sweden)

Castro‑Couceiro, A.

2004-08-01

Full Text Available In this work we have prepared, by a sol‑gel method, LiCo1‑ xMxO2 compounds (M= Ni, Al and Mg, in order to study the doping effect in their electrochemical behaviour as cathodes in lithium‑batteries. We have studied the influence of the synthesis conditions (using various chelating agents for the formation of the gel on their morphologic, structural and electrochemical properties. We have obtained monophasic materials: LiCo1‑xNixO2 (0≤x≤0.8, LiCo1‑xMgxO2 (0≤x≤0.05, LiCo1‑xAlxO2 (0≤x≤0.3 and LiCo0.5Ni0.5‑xAlxO2 (0≤x≤0.3. In general, the samples obtained with succinic acid have better ordered lithium layers than malic samples.The capacity of the Li//LiCo1‑ xMxO2 batteries decrease upon doping. However, more stable charge‑discharge cycling performances have been obtained as compared to those displayed by the native oxides. In LiCo1‑xMgxO2, small amounts of MgO appear as secondary phases for 0.05 En este trabajo preparamos, mediante un método sol‑gel, óxidos LiCo1‑xMxO2 dopando LiCoO2 con Ni, Al y Mg, con el fin de comprobar la influencia del catión dopante y del grado de dopaje en su comportamiento electroquímico como cátodos de baterías de litio. Estudiamos la influencia de las condiciones de síntesis (utilizando diferentes agentes quelatantes para la formación del gel en las propiedades morfológicas y estructurales de los materiales obtenidos, que condicionan, a su vez, su comportamiento electroquímico. Se obtuvieron muestras monofásicas para distintos grados de dopaje: LiCo1‑xNixO2 (0≤x≤0.8, LiCo1‑xMgxO2 (0≤x≤0.05, LiCo1‑xAlxO2 (0≤x≤0.3 y LiCo0.5Ni0.5‑xAlxO2 (0≤x≤0.3. En general, se logra un mejor orden catiónico en la estructura utilizando ácido succínico como agente quelatante que utilizando ácido málico. Los estudios electroquímicos muestran que los tres dopantes (Ni, Mg y Al provocan una disminución de la capacidad de las baterías, pero contribuyen a mantener

Effect of Mg(2+), Ca(2+), Sr(2+) and Ba(2+) metal ions on the antifungal activity of ZnO nanoparticles tested against Candida albicans.

Science.gov (United States)

Haja Hameed, Abdulrahman Syedahamed; Karthikeyan, Chandrasekaran; Senthil Kumar, Venugopal; Kumaresan, Subramanian; Sasikumar, Seemaisamy

2015-01-01

The antifungal ability of pure and alkaline metal ion (Mg(2+), Ca(2+), Sr(2+) and Ba(2+)) doped ZnO nanoparticles (NPs) prepared by the co-precipitation method was tested against the pathogenic yeast, Candida albicans (C. albicans), and the results showed that the Mg-doped ZnO NPs possessed greater effect than the other alkaline metal ion doped ZnO NPs. The impact of the concentration of Mg doped ZnO sample on the growth of C. albicans was also studied. The Minimal Fungicidal Concentration (MFC) of the Mg doped ZnO NPs was found to be 2000 μg/ml for which the growth of C. albicans was completely inhibited. The ZnO:Mg sample (1.5mg/ml) with various concentrations of histidine reduced the fungicidal effect of the nanoparticles against C. albicans, which was deliberately explained by the role of ROS. The ZnO:Mg sample added with 5mM of histidine scavenged the ample amount of generated ROS effectively. The binding of the NPs with fungi was observed by their FESEM images and their electrostatic attraction is confirmed by the zeta potential measurement. Copyright © 2015. Published by Elsevier B.V.

Effect of Mg substitution on crystal structure and hydrogenation of Ce{sub 2}Ni{sub 7}-type Pr{sub 2}Ni{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Iwase, Kenji, E-mail: fbiwase@mx.ibaraki.ac.jp [Department of Materials Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Mori, Kazuhiro [Research Reactor Institute, Kyoto University, 2-1010 Asashiro-nishi, Kumatori, Sennan, Osaka 590-0494 (Japan); Terashita, Naoyoshi [Japan Metals & Chemicals Co., Ltd., Nishiokitama-gun, Yamagata 999-1351 (Japan); Tashiro, Suguru; Suzuki, Tetsuya [Department of Materials Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan)

2017-03-15

The effect of Pr being substituted by Mg in Pr{sub 2}Ni{sub 7} with a Ce{sub 2}Ni{sub 7}-type structure was investigated by X-ray diffraction (XRD) and pressure−composition (P−C) isotherm measurements. The maximum hydrogen capacity of Pr{sub 2}Ni{sub 7} reached 1.24 H/M in the first absorption process. However, 0.61 H/M hydrogen remained in the sample after the first desorption and the reversible hydrogen capacity decreased to 0.63 H/M. Severe peak broadening was observed in the XRD profile of Pr{sub 2}Ni{sub 7}H{sub 5.4} after the first P−C isotherm cycle. The metal sublattice of Pr{sub 2}Ni{sub 7}H{sub 5.4} is deformed and changes from the Ce{sub 2}Ni{sub 7}-type structure to a lower symmetry during hydrogenation, with no detection of an amorphous phase. Pr{sub 1.5}Mg{sub 0.5}Ni{sub 7} consists of two phases: 80% Gd{sub 2}Co{sub 7}-type and 20% PuNi{sub 3}-type phases. Mg substitution leads to the relative stability of the Gd{sub 2}Co{sub 7}-type and PuNi{sub 3}-type structures. The Gd{sub 2}Co{sub 7}-type and PuNi{sub 3}-type structures are retained after the P-C isotherm. The reversible hydrogen capacity reached 1.05 H/M. The structural change during the hydrogen absorption−desorption cycle and the hydrogenation characteristics are changed by Mg atoms replacing Pr in the MgZn{sub 2}-type cell. - Graphical abstract: The maximum hydrogen capacity is 1.2 H/M in the first absorption process and the reversible capacity is 0.63 H/M.

CoO-doped MgO-Al2O3-SiO2-colored transparent glass-ceramics with high crystallinity

Science.gov (United States)

Tang, Wufu; Zhang, Qian; Luo, Zhiwei; Yu, Jingbo; Gao, Xianglong; Li, Yunxing; Lu, Anxian

2018-02-01

To obtain CoO-doped MgO-Al2O3-SiO2 (MAS)-colored transparent glass-ceramics with high crystallinity, the glass with the composition 21MgO-21Al2O3-54SiO2-4B2O3-0.2CoO (in mol %) was prepared by conventional melt quenching technique and subsequently thermal treated at several temperatures. The crystallization behavior of the glass, the precipitated crystalline phases and crystallinity were analyzed by X-ray diffraction (XRD). The microstructure of the glass-ceramics was characterized by field emission scanning electron microscopy (FSEM). The transmittance of glass-ceramic was measured by UV spectrophotometer. The results show that a large amount of α-cordierite (indianite) with nano-size was precipitated from the glass matrix after treatment at 1020 °C for 3 h. The crystallinity of the transparent glass-ceramic reached up to 97%. Meanwhile, the transmittance of the glass-ceramic was 74% at 400 nm with a complex absorption band from 450 nm to 700 nm. In addition, this colored transparent glass-ceramic possessed lower density (2.469 g/cm3), lower thermal expansion coefficient (1.822 × 10-6 /℃), higher Vickers hardness (9.1 GPa) and higher bending strength (198 MPa) than parent glass.

Studies on bare and Mg-doped LiCoO2 as a cathode material for lithium ion batteries

CSIR Research Space (South Africa)

Reddy, MV

2014-05-01

Full Text Available at ScienceDirect Electrochimica Acta jo ur nal ho me p age: www.elsev ier .com/ locate /e lec tac ta Graphical Abstract Electrochimica Acta xxx (2013) xxx–xxx Studies on Bare and Mg-doped LiCoO2 as a cathode material for Lithium ion Batteries M.V. Reddy... for Lithium ion Batteries M.V. Reddy∗, Thor Wei Jie, Charl J. Jafta, Kenneth I. Ozoemena, Mkhulu K. Mathe, A. Sree Kumaran Nair, Soo Soon Peng, M. Sobri Idris, Geetha Balakrishna, Fabian I. Ezema, B.V.R. Chowdari • Layered compounds, Li...

Generation of H2 and CO by solar thermochemical splitting of H2O and CO2 by employing metal oxides

International Nuclear Information System (INIS)

Rao, C.N.R.; Dey, Sunita

2016-01-01

Generation of H 2 and CO by splitting H 2 O and CO 2 respectively constitutes an important aspect of the present-day concerns with energy and environment. The solar thermochemical route making use of metal oxides is a viable means of accomplishing these reduction reactions. The method essentially involves reducing a metal oxide by heating and passing H 2 O or CO 2 over the nonstoichiometric oxide to cause reverse oxidation by abstracting oxygen from H 2 O or CO 2 . While ceria, perovskites and other oxides have been investigated for this purpose, recent studies have demonstrated the superior performance of perovskites of the type Ln 1−x A x Mn 1−y M y O 3 (Ln=rare earth, A=alkaline earth, M=various +2 and +3 metal ions), in the thermochemical generation of H 2 and CO. We present the important results obtained hitherto to point out how the alkaine earth and the Ln ions, specially the radius of the latter, determine the performance of the perovskites. The encouraging results obtained are exemplefied by Y 0.5 Sr 0.5 MnO 3 which releases 483 µmol/g of O 2 at 1673 K and produces 757 µmol/g of CO from CO 2 at 1173 K. The production of H 2 from H 2 O is also quite appreciable. Modification of the B site ion of the perovskite also affects the performance. In addition to perovskites, we present the generation of H 2 based on the Mn 3 O 4 /NaMnO 2 cycle briefly. - Graphical abstract: Ln 0.5 A 0.5 Mn 1−x M x O 3 (Ln=lanthanide; A=Ca, Sr; M=Al, Ga, Sc, Mg, Cr, Fe, Co) perovskites are employed for the two step thermochemical splitting of CO 2 and H 2 O for the generation of CO and H 2 . - Highlights: • Perovskite oxides based on Mn are ideal for the two-step thermochemical splitting of CO 2 and H 2 O. • In Ln 1−x A x MnO 3 perovskite (Ln=rare earth, A=alkaline earth) both Ln and A ions play major roles in the thermochemical process. • H 2 O splitting is also achieved by the use of the Mn 3 O 4 -sodium carbonate system. • Thermochemical splitting of CO 2 and H

ECO2M: A TOUGH2 Fluid Property Module for Mixtures of Water, NaCl, and CO2, Including Super- and Sub-Critical Conditions, and Phase Change Between Liquid and Gaseous CO2

Energy Technology Data Exchange (ETDEWEB)

Pruess, K.

2011-04-01

ECO2M is a fluid property module for the TOUGH2 simulator (Version 2.0) that was designed for applications to geologic storage of CO{sub 2} in saline aquifers. It includes a comprehensive description of the thermodynamics and thermophysical properties of H{sub 2}O - NaCl - CO{sub 2} mixtures, that reproduces fluid properties largely within experimental error for temperature, pressure and salinity conditions in the range of 10 C {le} T {le} 110 C, P {le} 600 bar, and salinity from zero up to full halite saturation. The fluid property correlations used in ECO2M are identical to the earlier ECO2N fluid property package, but whereas ECO2N could represent only a single CO{sub 2}-rich phase, ECO2M can describe all possible phase conditions for brine-CO{sub 2} mixtures, including transitions between super- and sub-critical conditions, and phase change between liquid and gaseous CO{sub 2}. This allows for seamless modeling of CO{sub 2} storage and leakage. Flow processes can be modeled isothermally or non-isothermally, and phase conditions represented may include a single (aqueous or CO{sub 2}-rich) phase, as well as two-and three-phase mixtures of aqueous, liquid CO{sub 2} and gaseous CO{sub 2} phases. Fluid phases may appear or disappear in the course of a simulation, and solid salt may precipitate or dissolve. TOUGH2/ECO2M is upwardly compatible with ECO2N and accepts ECO2N-style inputs. This report gives technical specifications of ECO2M and includes instructions for preparing input data. Code applications are illustrated by means of several sample problems, including problems that had been previously solved with TOUGH2/ECO2N.

Oxidation of cyclic amines by molybdenum(II and tungsten(II halocarbonyls, [M(CO4X2]2 (M = Mo, W; X = Cl, Br

Directory of Open Access Journals (Sweden)

H.M. Mbuvi

2013-05-01

Full Text Available The molybdenum(II and tungsten(II halocarbonyls, [M(CO4X2]2 (M = Mo, W; X = Cl, Br react with a large excess of the nitrogen bases, 1-methylpyrrolidine, 1-methylpiperidine, 1-ethylpiperidine and 2-ethylpiperidine to give aminecarbonyl complexes of the type M(CO3L3 (L= alkylamine. Excess piperidine reacts with the tungsten halocarbonyls, [W(CO4X2]2 (X = Cl, Br, to give the trans isomer of the complex, W(CO3(C5H11N3. The halogens were recovered as the amminium salts, amine, HX. The oxidized amine dimerized to form a yellow product which was recovered as an oily liquid but in very small amounts. However, in the reaction between Mo(CO4Br2 and 1-ethylpiperidine, a yellow crystalline solid, with a melting point of 224 oC was recovered in sufficient amounts for elemental analysis, melting point and spectral data. Its mass spectrum showed a molecular ion peak at m+/z = 222, a clear evidence that the oxidized amine dimerizes. The cyclic dibasic amine piperazine, C4H10N2 is not, however, oxidized by these halocarbonyls but rather it reacts by substituting some CO groups to form products of the type, M(CO3(C4H10N22X2 (M = Mo, W; X = Cl, Br. Products were characterized by elemental analysis, IR, UV, 1H NMR and mass spectrometry.

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 .

Anti-Podocalyxin Monoclonal Antibody 47-mG2a Detects Lung Cancers by Immunohistochemistry.

Science.gov (United States)

Yamada, Shinji; Itai, Shunsuke; Kaneko, Mika K; Kato, Yukinari

2018-04-01

Lung cancer is one of the leading causes of cancer-related deaths in the world. Regardless of the advances in lung cancer treatments, the prognosis is still poor. Podocalyxin (PODXL) is a highly glycosylated type I transmembrane protein that is expressed in normal tissues, including the heart, pancreas, and breast. It is also found and used as a diagnostic marker in many cancers, such as renal, brain, breast, oral, and lung cancers. We previously developed specific and sensitive anti-PODXL monoclonal antibodies, PcMab-47 (mouse IgG 1 , kappa) and its mouse IgG 2a -type (47-mG 2a ), both of which were suitable for immunohistochemical analyses of oral cancers. In this study, we investigated the utility of PcMab-47 and 47-mG 2a for the immunohistochemical analyses of lung cancers. PcMab-47 stained 51/70 (72.9%) cases of lung cancer, whereas 47-mG 2a stained 59/70 (84.3%) cases, indicating that the latter antibody is more sensitive and is useful for detecting PODXL in lung cancers.

Space-Based CO2 Active Optical Remote Sensing using 2-μm Triple-Pulse IPDA Lidar

Science.gov (United States)

Singh, Upendra; Refaat, Tamer; Ismail, Syed; Petros, Mulugeta

2017-04-01

Sustained high-quality column CO2 measurements from space are required to improve estimates of regional and global scale sources and sinks to attribute them to specific biogeochemical processes for improving models of carbon-climate interactions and to reduce uncertainties in projecting future change. Several studies show that space-borne CO2 measurements offer many advantages particularly over high altitudes, tropics and southern oceans. Current satellite-based sensing provides rapid CO2 monitoring with global-scale coverage and high spatial resolution. However, these sensors are based on passive remote sensing, which involves limitations such as full seasonal and high latitude coverage, poor sensitivity to the lower atmosphere, retrieval complexities and radiation path length uncertainties. CO2 active optical remote sensing is an alternative technique that has the potential to overcome these limitations. The need for space-based CO2 active optical remote sensing using the Integrated Path Differential Absorption (IPDA) lidar has been advocated by the Advanced Space Carbon and Climate Observation of Planet Earth (A-Scope) and Active Sensing of CO2 Emission over Nights, Days, and Seasons (ASCENDS) studies in Europe and the USA. Space-based IPDA systems can provide sustained, high precision and low-bias column CO2 in presence of thin clouds and aerosols while covering critical regions such as high latitude ecosystems, tropical ecosystems, southern ocean, managed ecosystems, urban and industrial systems and coastal systems. At NASA Langley Research Center, technology developments are in progress to provide high pulse energy 2-μm IPDA that enables optimum, lower troposphere weighted column CO2 measurements from space. This system provides simultaneous ranging; information on aerosol and cloud distributions; measurements over region of broken clouds; and reduces influences of surface complexities. Through the continual support from NASA Earth Science Technology Office

The thermal behaviour and structural stability of nesquehonite, MgCO3.3H2O, evaluated by in situ laboratory parallel-beam X-ray powder diffraction: New constraints on CO2 sequestration within minerals.

Science.gov (United States)

Ballirano, Paolo; De Vito, Caterina; Ferrini, Vincenzo; Mignardi, Silvano

2010-06-15

In order to gauge the appropriateness of CO(2) reaction with Mg chloride solutions as a process for storing carbon dioxide, the thermal behaviour and structural stability of its solid product, nesquehonite (MgCO(3).3H(2)O), were investigated in situ using real-time laboratory parallel-beam X-ray powder diffraction. The results suggest that the nesquehonite structure remains substantially unaffected up to 373 K, with the exception of a markedly anisotropic thermal expansion acting mainly along the c axis. In the 371-390 K range, the loss of one water molecule results in the nucleation of a phase of probable composition MgCO(3).2H(2)O, which is characterized by significant structural disorder. At higher temperatures (423-483 K), both magnesite and MgO.2MgCO(3) coexist. Finally, at 603 K, periclase nucleation starts and the disappearance of carbonate phases is completed at 683 K. Consequently, the structural stability of nesquehonite at high temperatures suggests that it will remain stable under the temperature conditions that prevail at the Earth's surface. These results will help (a) to set constraints on the temperature conditions under which nesquehonite may be safely stored and (b) to develop CO(2) sequestration via the synthesis of nesquehonite for industrial application. Copyright 2010 Elsevier B.V. All rights reserved.

Transesterification of castor oil usingMgO/SiO2 catalyst and coconutoilas co-reactant

OpenAIRE

Kamisah D. Pandiangan; Novesar Jamarun; Syukri Arief; Wasinton Simanjuntak

2016-01-01

This paper describes the transesterification of castor oil with the use of coconut oil as co-reactant and MgO/SiO2as heterogeneous base catalyst. The catalyst was preparedfrom rice husk silica and magnesium nitrate by sol-gel method, with MgO load of 20% relative to silica, and then subjected to sintering treatment at 600 oC for 6 hours. A series of experiments was carried out, indicating that the use of coconut oil as co-reactant significantly promoted the conversion of castor oil into b...

Mg2BIV: Narrow Bandgap Thermoelectric Semiconductors

Science.gov (United States)

Kim, Il-Ho

2018-05-01

Thermoelectric materials can convert thermal energy directly into electric energy and vice versa. The electricity generation from waste heat via thermoelectric devices can be considered as a new energy source. For instance, automotive exhaust gas and all industrial processes generate an enormous amount of waste heat that can be converted to electricity by using thermoelectric devices. Magnesium compound Mg2BIV (BIV = Si, Ge or Sn) has a favorable combination of physical and chemical properties and can be a good base for the development of new efficient thermoelectrics. Because they possess similar properties to those of group BIV elemental semiconductors, they have been recognized as good candidates for thermoelectric applications. Mg2Si, Mg2Ge and Mg2Sn with an antifluorite structure are narrow bandgap semiconductors with indirect band gaps of 0.77 eV, 0.74 eV, and 0.35 eV, respectively. Mg2BIV has been recognized as a promising material for thermoelectric energy conversion at temperatures ranging from 500 K to 800 K. Compared to other thermoelectric materials operating in the similar temperature range, such as PbTe and filled skutterudites, the important aspects of Mg2BIV are non-toxic and earth-abundant elements. Based on classical thermoelectric theory, the material factor β ( m* / m e)3/2μκ L -1 can be utilized as the criterion for thermoelectric material selection, where m* is the density-of-states effective mass, me is the mass of an electron, μ is the carrier mobility, and κL is the lattice thermal conductivity. The β for magnesium silicides is 14, which is very high compared to 0.8 for iron silicides, 1.4 for manganese silicides, and 2.6 for silicon-germanium alloys. In this paper, basic phenomena of thermoelectricity and transport parameters for thermoelectric materials were briefly introduced, and thermoelectric properties of Mg2BIV synthesized by using a solid-state reaction were reviewed. In addition, various Mg2BIV compounds were discussed

Characteristics of CO2 release from forest soil in the mountains near Beijing.

Science.gov (United States)

Sun, Xiang Yang; Gao, Cheng Da; Zhang, Lin; Li, Su Yan; Qiao, Yong

2011-04-01

CO2 release from forest soil is a key driver of carbon cycling between the soil and atmosphere ecosystem. The rate of CO2 released from soil was measured in three forest stands (in the mountainous region near Beijing, China) by the alkaline absorption method from 2004 to 2006. The rate of CO2 released did not differ among the three stands. The CO2 release rate ranged from - 341 to 1,193 mg m(-2) h(-1), and the mean value over all three forests and sampling times was 286 mg m(-2) h(-1). CO2 release was positively correlated with soil water content and the soil temperature. Diurnally, CO2 release was higher in the day than at night. Seasonally, CO2 release was highest in early autumn and lowest in winter; in winter, negative values of CO2 release suggested that CO2 was absorbed by soil.

Synthesis and lithium storage properties of Zn, Co and Mg doped SnO2 Nano materials

CSIR Research Space (South Africa)

Palaniyandy, Nithyadharseni

2017-09-01

Full Text Available In this paper, we show that magnesium and cobalt doped SnO2 (Mg-SnO2 and Co-SnO2) nanostructures have profound influence on the discharge capacity and coulombic efficiency of lithium ion batteries (LIBs) employing pure SnO2 and zinc doped SnO2 (Zn-Sn...

Infrared emissions in MgSrAl{sub 10}O{sub 17}:Er{sup 3+} phosphor co-doped with Yb{sup 3+}/Ba{sup 2+}/Ca{sup 2+} obtained by solution combustion route

Energy Technology Data Exchange (ETDEWEB)

Singh, Vijay, E-mail: vijayjiin2006@yahoo.com [Physical Chemistry, Institute for Pure and Applied Chemistry and Center of Interface Science, University of Oldenburg, 26129 Oldenburg (Germany); Kumar Rai, Vineet [Department of Applied Physics, Indian School of Mines, Dhanbad 826 004 (India); Venkatramu, V. [Department of Physics, Yogi Vemana University, Kadapa 516 003 (India); Chakradhar, R.P.S. [CSIR-National Aerospace, Bangalore 560 017 (India); Hwan Kim, Sang [Department of Chemical Engineering, Konkuk University, Seoul 143-701 (Korea, Republic of)

2013-02-15

An intense infrared emitting MgSrAl{sub 10}O{sub 17}:Er{sup 3+} phosphor co-doped with Yb{sup 3+}, Ba{sup 2+} and Ca{sup 2+} ions have been prepared by a solution combustion method. Phase purity of the derived compounds was confirmed by X-ray diffraction technique. The vibrational properties of MgSrAl{sub 10}O{sub 17} phosphor was studied by Fourier transform infrared spectroscopy. The broad and strong infrared emission of Er{sup 3+} ions at around 1.53 {mu}m was observed upon excitation at 980 nm. Effect of co-doping with the Yb{sup 3+}{sub ,} Ba{sup 2+} and Ca{sup 2+} ions on the infrared luminescence intensity of Er{sup 3+} ions and the mechanism responsible for the variation in the infrared intensity have been discussed. The results indicate that these materials may be suitable for the optical telecommunication window and wavelength division multiplexing applications. - Highlights: Black-Right-Pointing-Pointer The hexagonal phase of MgSrAl{sub 10}O{sub 17} could be obtained by the low temperature combustion method. Black-Right-Pointing-Pointer The broad and strong infrared emission of Er{sup 3+} ions at around 1.53 {mu}m was observed. Black-Right-Pointing-Pointer Effect of co-doping with the Yb{sup 3+}{sub ,} Ba{sup 2+} and Ca{sup 2+} ions on the infrared luminescence intensity of Er{sup 3+} were reported.

Fabrication of fully epitaxial magnetic tunnel junctions with a Co2MnSi thin film and a MgO tunnel barrier

International Nuclear Information System (INIS)

Kijima, H.; Ishikawa, T.; Marukame, T.; Matsuda, K.-I.; Uemura, T.; Yamamoto, M.

2007-01-01

Fully epitaxial magnetic tunnel junctions (MTJs) were fabricated with a Co-based full-Heusler alloy Co 2 MnSi (CMS) thin film having the ordered L2 1 structure as a lower electrode, a MgO tunnel barrier, and a Co 50 Fe 50 upper electrode. Reflection high-energy electron diffraction patterns observed in situ for each layer in the MTJ layer structure during fabrication clearly indicated that all layers of the CMS lower electrode, MgO tunnel barrier, and Co 50 Fe 50 upper electrode grew epitaxially. The microfabricated fully epitaxial CMS/MgO/Co 50 Fe 50 MTJs demonstrated relatively high tunnel magnetoresistance ratios of 90% at room temperature and 192% at 4.2 K

Gully hotspot contribution to landscape methane (CH4) and carbon dioxide (CO2) fluxes in a northern peatland

International Nuclear Information System (INIS)

McNamara, N.P.; Plant, T.; Oakley, S.; Ward, S.; Wood, C.; Ostle, N.

2008-01-01

Peatlands are long term carbon catchments that sink atmospheric carbon dioxide (CO 2 ) and source methane (CH 4 ). In the uplands of the United Kingdom ombrotrophic blanket peatlands commonly exist within Calluna vulgaris (L.) dominated moorland ecosystems. These landscapes contain a range of topographical features that influence local hydrology, climate and plant community composition. In this study we examined the variation in ecosystem CO 2 respiration and net CH 4 fluxes from typical plant-soil systems in dendritic drainage gullies and adjacent blanket peat during the growing season. Typically, Eriophorum spp., Sphagnum spp. and mixed grasses occupied gullies while C. vulgaris dominated in adjacent blanket peat. Gross CO 2 respiration was highest in the areas of Eriophorum spp. (650 ± 140 mg CO 2 m -2 h -1 ) compared to those with Sphagnum spp. (338 ± 49 mg CO 2 m -2 h -1 ), mixed grasses (342 ± 91 mg CO 2 m -2 h -1 ) and C. vulgaris (174 ± 63 mg CO 2 m -2 h -1 ). Measurements of the net CH 4 flux showed higher fluxes from the Eriophorum spp (2.2 ± 0.6 mg CH 4 m -2 h -1 ) locations compared to the Sphagnum spp. (0.6 ± 0.4 mg CH 4 m -2 h -1 ), mixed grasses (0.1 ±0.1 mg CH 4 m -2 h -1 ) and a negligible flux detected from C. vulgaris (0.0 ± 0.0 mg CH 4 m -2 h -1 ) locations. A GIS approach was applied to calculate the contribution of gullies to landscape scale greenhouse gas fluxes. Findings from the Moor House National Nature Reserve in the UK showed that although gullies occupied only 9.3% of the total land surface, gullies accounted for 95.8% and 21.6% of the peatland net CH 4 and CO 2 respiratory fluxes, respectively. The implication of these findings is that the relative contribution of characteristic gully systems need to be considered in estimates of landscape scale peatland greenhouse gas fluxes

Quantitative analysis of an engineered CO2-fixing Escherichia coli reveals great potential of heterotrophic CO2 fixation.

Science.gov (United States)

Gong, Fuyu; Liu, Guoxia; Zhai, Xiaoyun; Zhou, Jie; Cai, Zhen; Li, Yin

2015-01-01

Production of fuels from the abundant and wasteful CO2 is a promising approach to reduce carbon emission and consumption of fossil fuels. Autotrophic microbes naturally assimilate CO2 using energy from light, hydrogen, and/or sulfur. However, their slow growth rates call for investigation of the possibility of heterotrophic CO2 fixation. Although preliminary research has suggested that CO2 fixation in heterotrophic microbes is feasible after incorporation of a CO2-fixing bypass into the central carbon metabolic pathway, it remains unclear how much and how efficient that CO2 can be fixed by a heterotrophic microbe. A simple metabolic flux index was developed to indicate the relative strength of the CO2-fixation flux. When two sequential enzymes of the cyanobacterial Calvin cycle were incorporated into an E. coli strain, the flux of the CO2-fixing bypass pathway accounts for 13 % of that of the central carbon metabolic pathway. The value was increased to 17 % when the carbonic anhydrase involved in the cyanobacterial carbon concentrating mechanism was introduced, indicating that low intracellular CO2 concentration is one limiting factor for CO2 fixation in E. coli. The engineered CO2-fixing E. coli with carbonic anhydrase was able to fix CO2 at a rate of 19.6 mg CO2 L(-1) h(-1) or the specific rate of 22.5 mg CO2 g DCW(-1) h(-1). This CO2-fixation rate is comparable with the reported rates of 14 autotrophic cyanobacteria and algae (10.5-147.0 mg CO2 L(-1) h(-1) or the specific rates of 3.5-23.7 mg CO2 g DCW(-1) h(-1)). The ability of CO2 fixation was created and improved in E. coli by incorporating partial cyanobacterial Calvin cycle and carbon concentrating mechanism, respectively. Quantitative analysis revealed that the CO2-fixation rate of this strain is comparable with that of the autotrophic cyanobacteria and algae, demonstrating great potential of heterotrophic CO2 fixation.

Analysis of (Ba,Ca,Sr)3MgSi2O8:Eu2+, Mn2+ phosphors for application in solid state lighting

International Nuclear Information System (INIS)

Han, J.K.; Piqutte, A.; Hannah, M.E.; Hirata, G.A.; Talbot, J.B.; Mishra, K.C.; McKittrick, J.

2014-01-01

The luminescence properties of Eu 2+ and Mn 2+ co-activated (Ba,Ca,Sr) 3 MgSi 2 O 8 phosphors prepared by combustion synthesis were studied. Eu 2+ -activated (Ba,Ca,Sr) 3 MgSi 2 O 8 has a broad blue emission band centered at 450–485 nm and Eu 2+ –Mn 2+ -activated (Ba,Ca,Sr) 3 MgSi 2 O 8 exhibits a red emission around 620–703 nm, depending on the relative concentrations of Ba, Ca and Sr. The particle size of Eu 2+ and Mn 2+ co-activated (Ba,Ca) 3 MgSi 2 O 8 ranges from 300 nm to 1 μm depending on the metal ion and are agglomerated due to post-synthesis, high temperature annealing. The green emission of Ba 3 MgSi 2 O 8 originates from secondary phases (Ba 2 SiO 4 and BaMgSiO 4 ) confirmed by emission spectra and X-ray diffraction patterns. The secondary phases of Ba 3 MgSi 2 O 8 are removed by the addition of Sr. The quantum efficiencies range from 45% to 70% under 400 nm excitation and the lifetime of red emission of Ba 3 MgSi 2 O 8 decreases significantly with increasing temperature, which is 54% at 400 K of that at 80 K compared to that of blue emission (90% at 400 K of that at 80 K). -- highlights: • (Ba,Ca,Sr) 3 MgSi 2 O 8 :Eu 2+ , Mn 2+ phosphors were prepared by a combustion synthesis method. • The emission spectra consist of broad blue-emission band and red-emission band. • The quantum efficiencies range between 45% and 70%, depending on the relative concentrations of Ba, Ca and Sr. • The secondary phases were eliminated by additions of Sr. • Lifetime of the red-emission decreases with increasing temperature, suggesting that these phosphors are not useful for solid state lighting applications

Hydrogen storage properties of LaMgNi{sub 3.6}M{sub 0.4} (M = Ni, Co, Mn, Cu, Al) alloys

Energy Technology Data Exchange (ETDEWEB)

Yang, Tai [Department of Functional Material Research, Central Iron and Steel Research Institute, Beijing 100081 (China); Key Laboratory of Integrated Exploitation of Baiyun Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Zhai, Tingting; Yuan, Zeming; Bu, Wengang [Department of Functional Material Research, Central Iron and Steel Research Institute, Beijing 100081 (China); Xu, Sheng [Key Laboratory of Integrated Exploitation of Baiyun Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Zhang, Yanghuan, E-mail: zhangyh59@sina.com [Department of Functional Material Research, Central Iron and Steel Research Institute, Beijing 100081 (China); Key Laboratory of Integrated Exploitation of Baiyun Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010 (China)

2014-12-25

Highlights: • La–Mg–Ni system AB{sub 2}-type alloys were prepared by induction melting. • Structures and lattice parameters were analysed by XRD. • Hydrogen absorption/desorption performances were studied. • Mechanisms of hydrogen absorption capacity fading were investigated. - Abstract: LaMgNi{sub 3.6}M{sub 0.4} (M = Ni, Co, Mn, Cu, Al) alloys were prepared through induction melting process. The phase compositions and crystal structures were characterised via X-ray diffraction (XRD). The hydrogen storage properties, including activation performance, hydrogen absorption capacity, cycle stability, alloy particle pulverisation and plateau pressure, were systemically investigated. Results show that Ni, Co, Mn and Cu substitution alloys exhibit multiphase structures comprising the main phase LaMgNi{sub 4} and the secondary phase LaNi{sub 5}. However, the secondary phase of the Al substitution alloy changes into LaAlNi{sub 4}. The lattice parameters and cell volumes of the LaMgNi{sub 4} phase follow the order Ni < Co < Al < Cu < Mn. Activation is simplified through partial substitution of Ni with Al, Cu and Co. The hydrogen absorption capacities of all of the alloys are approximately 1.7 wt.% at the first activation process; however, they rapidly decrease with increasing cycle number. In addition, the stabilities of hydriding and dehydriding cycles decrease in the order Al > Co > Ni > Cu > Mn. Hydriding processes result in numerous cracks and amorphisation of the LaMgNi{sub 4} phase in the alloys. The p–c isotherms were determined by a Sieverts-type apparatus. Two plateaus were observed for the Ni, Co and Al substitution alloys, whereas only one plateau was found for Mn and Cu. This result was caused by the amorphisation of the LaMgNi{sub 4} phase during the hydriding cycles. Reversible absorption and desorption of hydrogen are difficult to achieve. Substitutions of Ni with Co, Mn, Cu and Al significantly influence the reduction of hysteresis between

AAg2M[VO4]2 (A=Ba,Sr; M=Co,Ni): A series of ferromagnetic insulators

Science.gov (United States)

Möller, Angela; Amuneke, Ngozi E.; Daniel, Phillip; Lorenz, Bernd; de la Cruz, Clarina R.; Gooch, Melissa; Chu, Paul C. W.

2012-06-01

AAg2M[VO4]2 with A=Sr2+ or Ba2+ present a series of layered compounds featuring a triangular lattice of transition metal cations, M = Co2+ or Ni2+, connected via nonmagnetic ortho-vanadates, which provide the magnetic superexchange within the layers. For this series of insulating compounds, ferromagnetic long-range order below 10 K is suggested by magnetization and specific heat measurements and confirmed by neutron diffraction experiments. We have investigated the impact of the spacer size of A2+ separating the layers leading to a tilting of the vanadates and consequently inducing a change in the effective magnetic correlations. Magnetization and specific heat measurements corroborate the important dependence of the magnetic superexchange on the orientation of the vanadates and the respective spin system. Furthermore, the ground state properties of the spin systems, S=1 (Ni2+) and S=3/2 (Co2+) in their respective octahedral coordination of oxygen, are evaluated. Calculated magnetic moments of the single ion complexes agree well with the magnetic structure. We, furthermore, report the dependence of Tc on applied isotropic pressure suggestive of a pressure effect on the effective ferromagnetic exchange coupling constants. In addition spectroscopic investigations probing the electronic structure of the [MO6] complexes and the vibrational structure of the [VO4] units are given.

Co-hydrothermal synthesis of LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C nano-hybrid cathode material with enhanced electrochemical performance for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jun [School of Metallurgy, Northeastern University, Shenyang, 110004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); Luo, Shaohua, E-mail: tianyanglsh@163.com [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao, 066004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); School of Materials Science and Engineering, Northeastern University, Shenyang, 110004 (China); Chang, Longjiao [School of New Energy, Bohai University, Jinzhou, 121013 (China); Hao, Aimin; Wang, Zhiyuan; Liu, Yanguo [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao, 066004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); School of Materials Science and Engineering, Northeastern University, Shenyang, 110004 (China); Xu, Qian [School of Materials Science and Engineering, Shanghai University, Shanghai, 200072 (China); Wang, Qing; Zhang, Yahui [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao, 066004 (China); Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province, Qinhuangdao, 066004 (China); School of Materials Science and Engineering, Northeastern University, Shenyang, 110004 (China)

2017-02-01

Highlights: • A co-hydrothermal approach to synthesize LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C composite material in water/PEG system is present. • The Mn{sub 1-x}Mg{sub x}PO{sub 4} precursor is prepared by precipitation reaction. • Co-modified with Mg{sup 2+} doping and LiAlO{sub 2} compositing strategies play an important role in improving the electronic conductivity and facilitating the diffusion of lithium ion. • LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C composite material exhibits a high specific discharge capacity of 151.8 mAh/g at 0.05C. - Abstract: LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C is synthesized by a co-hydrothermal method in water/PEG system using Li{sub 2}CO{sub 3}, AAO and Mn{sub 1-x}Mg{sub x}PO{sub 4} as raw material. The electronic structure and micromorphology of multi-component compound LiMn{sub 1-x}Mg{sub x}PO{sub 4}/C (x = 0, 1/24, 1/12, 1/6) and nano-hybrid LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 2}/C cathode materials are studied by first-principles calculation and experimental research including XRD, SEM, TEM. The calculated band gap of LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}/C is 2.296 eV, which is lower than other percentages Mg{sup 2+} doping samples. Electrochemical tests exhibit LiMn{sub 23/24}Mg{sub 1/24}PO{sub 4}/C has better cycling performance and rate capability than other contents Mg{sup 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{sub 23/24}Mg{sub 1/24}PO{sub 4}·LiAlO{sub 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{sup 2+} doping and LiAlO{sub 2} compositing material can improve the electronic conductivity of LiMnPO{sub 4}/C by facilitating the lithium ion diffusion rate in the interior of the materials.

Seasonal dynamics of soil CO2 efflux and soil profile CO2 concentrations in arboretum of Moscow botanical garden

Science.gov (United States)

Goncharova, Olga; Udovenko, Maria; Matyshak, Georgy

2016-04-01

To analyse and predict recent and future climate change on a global scale exchange processes of greenhouse gases - primarily carbon dioxide - over various ecosystems are of rising interest. In order to upscale land-use dependent sources and sinks of CO2, knowledge of the local variability of carbon fluxes is needed. Among terrestrial ecosystems, urban areas play an important role because most of anthropogenic emissions of carbon dioxide originate from these areas. On the other hand, urban soils have the potential to store large amounts of soil organic carbon and, thus, contribute to mitigating increases in atmospheric CO2 concentrations. Research objectives: 1) estimate the seasonal dynamics of carbon dioxide production (emission - closed chamber technique and profile concentration - soil air sampling tubes method) by soils of Moscow State University Botanical Garden Arboretum planted with Picea obovata and Pinus sylvestris, 1) identification the factors that control CO2 production. The study was conducted with 1-2 weeks intervals between October 2013 and November 2015 at two sites. Carbon dioxide soil surface efflux during the year ranged from 0 to 800 mgCO2/(m2hr). Efflux values above 0 mgCO2/(m2hr) was observed during the all cold period except for only 3 weeks. Soil CO2 concentration ranged from 1600-3000 ppm in upper 10-cm layer to 10000-40000 ppm at a depth of 60 cm. The maximum concentrations of CO2 were recorded in late winter and late summer. We associate it with high biological activity (both heterotrophic and autotrophic) during the summer, and with physical gas jamming in the winter. The high value of annual CO2 production of the studied soils is caused by high organic matter content, slightly alkaline reaction, good structure and texture of urban soils. Differences in soil CO2 production by spruce and pine urban forest soils (in the pine forest 1.5-2.0 times higher) are caused by urban soil profiles construction, but not temperature regimes. Seasonal

Structural determination of new solid solutions [Y2-x Mx ][Sn2-x Mx ]O7-3x/2 (M = Mg or Zn by Rietveld method

Directory of Open Access Journals (Sweden)

Mohamed Douma

2010-12-01

Full Text Available New [Y2-x Mx][Sn2-x Mx]O7-3x/2 (0 ≤x≤ 0.30 for M = Mg and 0 ≤x≤ 0.36 for M = Zn solid solutions with the pyrochlore structure were synthesized via high-temperature solid-state reaction method. Powder X-ray diffraction (PXRD patterns and Fourier transform infrared (FT-IR spectra showed that these materials are new non-stoichiometric solid solutions with the pyrochlore type structure. The structural parameters for the solids obtained were successfully determined by Rietveld refinement based on the analysis of the PXRD diagrams. Lattice parameter (a of these solid solutions decreases when x increases in both series. All samples obtained have the pyrochlore structure Fd-3m, no. 227 (origin at center -3m with M2+ (M = Mg2+ or Zn2+ cations in Y3+ and Sn4+ sites, thus creating vacancies in the anionic sublattice.

Comparison of effects of ATP-MgCl2 and adenosine-MgCl2 on renal function following ischemia

International Nuclear Information System (INIS)

Sumpio, B.E.; Hull, M.J.; Baue, A.E.; Chaudry, I.H.

1987-01-01

ATO-MgCl 2 administration had been shown to accelerate the recovery of renal function following warm ischemia. However, since the major breakdown product of ATP is adenosine, the relative contribution of ATP vs. adenosine in improving renal function following ischemia remains to be determined. To study this, kidneys were subjected to 45 min of normothermic ischemia and then perfused at 100 mmHg with oxygenated Krebs-HCO 3 buffer containing albumin, [ 3 H]inulin, substrates, and either 0.3 mM ATP-MgCl 2 or adenosine-MgCl 2 for 110 min. Perfusate and timed urine samples were collected and analyzed for radioactivity and [Na + ]. The functional parameters indicated that although adenosine-MgCl 2 treatment provided a transient improvement, it failed to provided a sustained improvement in renal function or attain control valued compared with ATP-MgCl 2 treatment. Thus, the salutary effects of ATP-MgCl 2 following warm ischemia in the kidney are not mediated by adenosine

Soil respiration in relation to photosynthesis of Quercus mongolica trees at elevated CO2.

Science.gov (United States)

Zhou, Yumei; Li, Mai-He; Cheng, Xu-Bing; Wang, Cun-Guo; Fan, A-Nan; Shi, Lian-Xuan; Wang, Xiu-Xiu; Han, Shijie

2010-12-06

Knowledge of soil respiration and photosynthesis under elevated CO(2) is crucial for exactly understanding and predicting the carbon balance in forest ecosystems in a rapid CO(2)-enriched world. Quercus mongolica Fischer ex Ledebour seedlings were planted in open-top chambers exposed to elevated CO(2) (EC = 500 µmol mol(-1)) and ambient CO(2) (AC = 370 µmol mol(-1)) from 2005 to 2008. Daily, seasonal and inter-annual variations in soil respiration and photosynthetic assimilation were measured during 2007 and 2008 growing seasons. EC significantly stimulated the daytime soil respiration by 24.5% (322.4 at EC vs. 259.0 mg CO(2) m(-2) hr(-1) at AC) in 2007 and 21.0% (281.2 at EC vs. 232.6 mg CO(2) m(-2) hr(-1) at AC) in 2008, and increased the daytime CO(2) assimilation by 28.8% (624.1 at EC vs. 484.6 mg CO(2) m(-2) hr(-1) at AC) across the two growing seasons. The temporal variation in soil respiration was positively correlated with the aboveground photosynthesis, soil temperature, and soil water content at both EC and AC. EC did not affect the temperature sensitivity of soil respiration. The increased daytime soil respiration at EC resulted mainly from the increased aboveground photosynthesis. The present study indicates that increases in CO(2) fixation of plants in a CO(2)-rich world will rapidly return to the atmosphere by increased soil respiration.

Variations of force constants, M-O distances and bond order in solid solutions between Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Fadini, A [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1977-12-01

In solid solutions between the 1:1 ordered perovskites Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/ (system Ba/sub 2/MgUsub(1-x)Wsub(x)O/sub 6/) the force constants of the UO/sub 6/ and WO/sub 6/ octahedras are variied. The valence force constants fsub(MO) tend to adjust for each x. The bond order and the M-O distances are reported as well.

Mechanosynthesis of MFe2O4 (M = Co, Ni, and Zn Magnetic Nanoparticles for Pb Removal from Aqueous Solution

Directory of Open Access Journals (Sweden)

America R. Vazquez-Olmos

2016-01-01

Full Text Available Adsorption of Pb(II from aqueous solution using MFe2O4 nanoferrites (M = Co, Ni, and Zn was studied. Nanoferrite samples were prepared via the mechanochemical method and were characterized by X-ray powder diffraction (XRD, Fourier transform infrared spectroscopy (FTIR, micro-Raman, and vibrating sample magnetometry (VSM. XRD analysis confirms the formation of pure single phases of cubic ferrites with average crystallite sizes of 23.8, 19.4, and 19.2 nm for CoFe2O4, NiFe2O4, and ZnFe2O4, respectively. Only NiFe2O4 and ZnFe2O4 samples show superparamagnetic behavior at room temperature, whereas CoFe2O4 is ferromagnetic. Kinetics and isotherm adsorption studies for adsorption of Pb(II were carried out. A pseudo-second-order kinetic describes the sorption behavior. The experimental data of the isotherms were well fitted to the Langmuir isotherm model. The maximum adsorption capacity of Pb(II on the nanoferrites was found to be 20.58, 17.76, and 9.34 mg·g−1 for M = Co, Ni, and Zn, respectively.

Carbonate mineral solubility at low temperatures in the Na-K-Mg-Ca-H-Cl-SO 4-OH-HCO 3-CO 3-CO 2-H 2O system

Science.gov (United States)

Marion, Giles M.

2001-06-01

Carbonate minerals have played an important role in the geochemical evolution of Earth, and may have also played an important role in the geochemical evolution of Mars and Europa. Several models have been published in recent years that describe chloride and sulfate mineral solubilities in concentrated brines using the Pitzer equations. Few of these models are parameterized for subzero temperatures, and those that are do not include carbonate chemistry. The objectives of this work are to estimate Pitzer-equation bicarbonate-carbonate parameters and carbonate mineral solubility products and to incorporate them into the FREZCHEM model to predict carbonate mineral solubilities in the Na-K-Mg-Ca-H-Cl-SO 4-OH-HCO 3-CO 3-CO 2-H 2O system at low temperatures (≤25°C) with a special focus on subzero temperatures. Most of the Pitzer-equation parameters and equilibrium constants are taken from the literature and extrapolated into the subzero temperature range. Solubility products for 14 sodium, potassium, magnesium, and calcium bicarbonate and carbonate minerals are included in the model. Most of the experimental data are at temperatures ≥ -8°C; only for the NaHCO 3-NaCl-H 2O and Na 2CO 3-NaCl-H 2O systems are there bicarbonate and carbonate data to temperatures as low as -21.6°C. In general, the fit of the model to the experimental data is good. For example, calculated eutectic temperatures and compositions for NaHCO 3, Na 2CO 3, and their mixtures with NaCl and Na 2SO 4 salts are in good agreement with experimental data to temperatures as low as -21.6°C. Application of the model to eight saline, alkaline carbonate waters give predicted pHs ranging from 9.2 to 10.2, in comparison with measured pHs that range from 8.7 to 10.2. The model suggests that the CaCO 3 mineral that precipitates during seawater freezing is probably calcite and not ikaite. The model demonstrates that a proposed salt assemblage for the icy surface of Europa consisting of highly hydrated MgSO 4

La0⋅ 9Sr0⋅ 1Ga0⋅ 8M0⋅ 2O3–δ (M= Mn, Co, Ni, Cu or Zn ...

Indian Academy of Sciences (India)

Perovskite oxides of the general formula, La0.9Sr0.1Ga0.8M0.2O3– for M = Mn, Co, Ni, Cu and Zn, have been prepared and investigated. All the oxides exhibit high electrical conductivities ( ∼ 10–2 S/cm at 800°C) comparable to that of the best perovskite oxide ion conductor, La0.9Sr0.1Ga0.8Mg0.2O2.85 (LSGM) ( ...

New metal-organic polygons involving MM quadruple bonds: M8(O2CtBu)4(mu-SC4H2-3,4-{CO2}2)6 (M=Mo, W).

Science.gov (United States)

Byrnes, Matthew J; Chisholm, Malcolm H; Patmore, Nathan J

2005-12-12

The reactions between M2(O2CtBu)4, where M=Mo or W, and thienyl-3,4-dicarboxylic acid (0.5-1.5 equiv) in toluene proceed via a series of detectable intermediates to the compounds M8(O2CtBu)4(mu-SC4H2-3,4-{CO2}2)6, which are isolated as air-sensitive yellow (M=Mo) or red (M=W) powders and show parent molecular ions in their mass spectra (MALDI). The structure of the molybdenum complex was determined by single-crystal X-ray crystallography and shown to contain an unusual M8 polygon involving four Mo2 quadruply bonded units linked via the agency of the six 3,4-thienylcarboxylate groups. The structure has crystallographically imposed S4 symmetry and may be described in terms of a highly distorted tetrahedron of Mo2 units or a bisphenoid in which two Mo2 units are linked by a thienyldicarboxylate such that intramolecular Mo2...O bonding is present, while the other thienylcarboxylate bridges merely serve to link these two [Mo2]...[Mo2] units together. The color of the compounds arises from intense M2 delta-to-thienyl pi transitions and, in THF, the complexes are redox-active and show four successive quasi-reversible oxidation waves. The [M8]+ radical cations, generated by one-electron oxidation with AgPF6, are shown to be valence-trapped (class II) by UV-vis-near-IR and electron paramagnetic resonance spectroscopy. These results are supported by the electronic structure calculations on model compounds M8(O2CH)4(mu-SC4H2-3,4-{CO}2)6 employing density functional theory that reveal only a small splitting of the M2 delta manifold via mixing with the 3,4-thienylcarboxylate pi system.

How easy is CO2 fixation by M-C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?

KAUST Repository

Nolan, Steve; Cavallo, Luigi; Poater, Albert; Vummaleti, Sai V. C.; Talarico, Giovanni

2015-01-01

A comparison between different M–C bonds (M = Cu(I), Ni(II), Co(I), Rh(I) and Ir(I)) has been reported by using density functional theory (DFT) calculations to explore the role of the metal in the fixation or incorporation of CO2 into such complexes. The systems investigated are various metal based congeners of the Ir-complex 8 [(cod)(IiPr)Ir-CCPh], with a ligand scaffold based on cod and IiPr ligands (cod = 1,5-cyclooctadiene; IiPr = 1,3-bis(isopropyl)imidazol-2-ylidene). The results of this study show that the calculated CO2 insertion barriers follow the trend: Cu(I) (20.8 kcal mol−1) < Rh(I) (30.0 kcal mol−1) < Co(I) (31.3 kcal mol−1) < Ir(I) (37.5 kcal mol−1) < Ni(II) (45.4 kcal mol−1), indicating that the Cu(I) based analogue is the best CO2 fixer, while Ni(II) is the worst in the studied series.

How easy is CO2 fixation by M-C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?

KAUST Repository

Nolan, Steve

2015-11-27

A comparison between different M–C bonds (M = Cu(I), Ni(II), Co(I), Rh(I) and Ir(I)) has been reported by using density functional theory (DFT) calculations to explore the role of the metal in the fixation or incorporation of CO2 into such complexes. The systems investigated are various metal based congeners of the Ir-complex 8 [(cod)(IiPr)Ir-CCPh], with a ligand scaffold based on cod and IiPr ligands (cod = 1,5-cyclooctadiene; IiPr = 1,3-bis(isopropyl)imidazol-2-ylidene). The results of this study show that the calculated CO2 insertion barriers follow the trend: Cu(I) (20.8 kcal mol−1) < Rh(I) (30.0 kcal mol−1) < Co(I) (31.3 kcal mol−1) < Ir(I) (37.5 kcal mol−1) < Ni(II) (45.4 kcal mol−1), indicating that the Cu(I) based analogue is the best CO2 fixer, while Ni(II) is the worst in the studied series.

[H2en]2{La2M(SO4)6(H2O)2} (M=Co, Ni): First organically templated 3d-4f mixed metal sulfates

International Nuclear Information System (INIS)

Yuan Yanping; Wang Ruiyao; Kong Deyuan; Mao Jianggao; Clearfield, Abraham

2005-01-01

The first organically templated 3d-4f mixed metal sulfates, [H 2 en] 2 {La 2 M(SO 4 ) 6 (H 2 O) 2 } (M=Co 1, Ni 2) have been synthesized and structurally determined from non-merohedrally twinned crystals. The two compounds are isostructural and their structures feature a three-dimensional anionic network formed by the lanthanum(III) and nickel(II) ions bridged by sulfate anions. The La(III) ions in both compounds are 10-coordinated by four sulfate anions in bidentate chelating fashion, and two sulfate anions in a unidentate fashion. The transition metal(II) ion is octahedrally coordinated by six oxygens from four sulfate anions and two aqua ligands. The doubly protonated enthylenediamine cations are located at the tunnels formed by 8-membered rings (four La and four sulfate anions)

Inositol phosphates influence the membrane bound Ca2+/Mg2+ stimulated ATPase from human erythrocyte membranes

International Nuclear Information System (INIS)

Kester, M.; Ekholm, J.; Kumar, R.; Hanahan, D.J.

1986-01-01

The modulation by exogenous inositol phosphates of the membrane Ca 2+ /Mg 2+ ATPase from saponin/EGTA lysed human erythrocytes was determined in a buffer (pH 7.6) containing histidine, 80 mM, MgCl 2 , 3.3 mM, NaCl, 74 mM, KCl, 30 mM, Na 2 ATP, 2.3 mM, ouabain, 0.83 mM, with variable amounts of CaCl 2 and EGTA. The ATPase assay was linear with time at 44 0 C. The inositol phosphates were commercially obtained and were also prepared from 32 P labeled rabbit platelet inositol phospholipids. Inositol triphosphate (IP 3 ) elevated the Ca 2+ /Mg 2+ ATPase activity over basal levels in a dose, time, and calcium dependent manner and were increased up to 85% of control values. Activities for the Na + /K + -ATPase and a Mg 2+ ATPase were not effected by IP 3 . Ca 2+ /Mg 2+ APTase activity with IP 2 or IP 3 could be synergistically elevated with calmodulin addition. The activation of the ATPase with IP 3 was calcium dependent in a range from .001 to .02 mM. The apparent Km and Vmax values were determined for IP 3 stimulated Ca 2+ /Mg 2+ ATPase

YRh{sub 2}Ga. A new intergrowth variant of MgNi{sub 2} and CeCo{sub 3}B{sub 2} related slabs

Energy Technology Data Exchange (ETDEWEB)

Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

2017-09-01

The gallide YRh{sub 2}Ga was synthesized by melting of the elements in an arc-furnace followed by annealing in a sealed silica tube in an induction furnace. YRh{sub 2}Ga crystallizes with a new structure type: P6{sub 3}/mmc, a=552.2(1), c=3119.5(6) pm, wR=0.0957, 497 F{sup 2} values, and 34 variables. It is the n=1 member of the RE{sub 2+n}T{sub 3+3n}X{sub 1+2n} structure series with Laves phase (MgNi{sub 2} type in the present case) and CaCu{sub 5} (CeCo{sub 3}B{sub 2} type in the present case) related slabs in the Parthe intergrowth concept.

The role of the [CpM(CO)2](-) chromophore in the optical properties of the [Cp2ThMCp(CO)2](+) complexes, where M = Fe, Ru and Os. A theoretical view.

Science.gov (United States)

Cantero-López, Plinio; Le Bras, Laura; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro

2015-12-14

The chemical bond between actinide and the transition metal unsupported by bridging ligands is not well characterized. In this paper we study the electronic properties, bonding nature and optical spectra in a family of [Cp2ThMCp(CO)2](+) complexes where M = Fe, Ru, Os, based on the relativistic two component density functional theory calculations. The Morokuma-Ziegler energy decomposition analysis shows an important ionic contribution in the Th-M interaction with around 25% of covalent character. Clearly, charge transfer occurs on Th-M bond formation, however the orbital term most likely represents a strong charge rearrangement in the fragments due to the interaction. Finally the spin-orbit-ZORA calculation shows the possible NIR emission induced by the [FeCp(CO)2](-) chromophore accomplishing the antenna effect that justifies the sensitization of the actinide complexes.

Comparative study on the adsorption of Co2+ on CaCO3 compounds used as adsorbents

International Nuclear Information System (INIS)

De Jesus V, S.

2014-01-01

The calcium carbonate (CaCO 3 ) was synthesized by methods of precipitation, calcination, sol-gel and trigonal/sol-gel. These materials were characterized by the techniques of X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, infrared spectroscopy and N 2 physisorption measurements in order to identify their textural, surface and structural properties. The results show that the material synthesized by sol-gel had the highest surface area of 39.5230 m 2 /g, and a total pore volume of 0.0484 m 3 /g and a pore diameter of 4.9050 nm. The synthesized materials were used to comparatively study their adsorption capacity of Co 2+ ions present in aqueous solutions, by experiments batch or batch type at an ambient temperature (25 grades C) and to 4 hours, balance time established previously under an adsorption kinetic study. They found as maximum adsorption capacities of Co 2+ in materials of 1.8582 mg/g for the calcium carbonate obtained by precipitation, of 0.8586 mg/g for the material obtained by calcining, of 3.1895 mg/g for the material obtained by sol-gel and finally of 2.5783 mg/g for the material obtained by the trigonal/sol-gel method, therefore it follows that the material having the highest adsorption capacity of Co 2+ ions was synthesized by the sol-gel method, because it showed better surface, textural and structural properties compared to other materials studied. (Author)

Effect of Mg$^{2+}$ ions co-doping on timing performance and radiation tolerance of Cerium doped Gd$_{3}$Al$_{2}$Ga$_{3}$O$_{12}$ crystals

CERN Document Server

Lucchini, M.T.; Bohacek, P.; Gundacker, S.; Kamada, K.; Nikl, M.; Petrosyan, A.; Yoshikawa, A.; Auffray, E.

2016-01-01

Inorganic scintillators with high density and high light yield are of major interest for applications in medical imaging and high energy physics detectors. In this work, the optical and scintillation properties of Mg co-doped Ce:Gd3Al2Ga3O12 crystals, grown using Czochralski technique, have been investigated and compared with Ce:Gd3Al2Ga3O12 ones prepared with identical technology. Improvements in the timing performance of the Mg co-doped samples with respect to Ce:Gd3Al2Ga3O12 ones have been measured, namely a substantial shortening of the rise time and scintillation decay components and lower afterglow were achieved. In particular, a significantly better coincidence time resolution of 233 ps FWHM, being a fundamental parameter for TOF-PET devices, has been observed in Mg co-doped crystals. The samples have also shown a good radiation tolerance under high doses of γ-rays, making them suitable candidates for applications in harsh radiation environments, such as detectors at future collider experiments.

Evaluation of cross-section data from threshold to 40-60 MeV for specific neutron reactions important for neutron dosimetry applications. Part 1: Evaluation of the excitation functions for the 27Al(n,α)24Na, 55Mn(n,2n)54Mn, 59Co(n,p)59Fe, 59Co(n,2n)58m+gCo and 90Zr(n,2n)89m+gZr reactions

International Nuclear Information System (INIS)

Zolotarev, K.I.

2009-04-01

Evaluations of cross sections and their associated covariance matrices have been carried out for five dosimetry reactions: - excitation functions were re-evaluated for the 27 Al(n,α) 24 Na, 55 Mn(n,2n) 54 Mn and 90 Zr(n,2n) 89m+g Zr reactions over the neutron energy range from threshold to 40 MeV; - excitation functions were re-evaluated for the 59 Co(n,p) 59 Fe and 59 Co(n,2n) 58m+g Co reactions over the neutron energy range from threshold to 60 MeV. Uncertainties in the cross sections for all of those reactions were also derived in the form of relative covariance matrices. Benchmark calculations performed for 235 U thermal fission and 252 Cf spontaneous fission neutron spectra show that the integral cross sections calculated from the newly evaluated excitation functions exhibit improved agreement with related experimental data when compared with the equivalent data from the IRDF-2002 library. (author)

Comparative study on the adsorption of Co{sup 2+} on CaCO{sub 3} compounds used as adsorbents; Estudio comparativo sobre la adsorcion de Co{sup 2+} sobre compuestos de CaCO{sub 3} utilizados como adsorbentes

Energy Technology Data Exchange (ETDEWEB)

De Jesus V, S.

2014-07-01

The calcium carbonate (CaCO{sub 3}) was synthesized by methods of precipitation, calcination, sol-gel and trigonal/sol-gel. These materials were characterized by the techniques of X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, infrared spectroscopy and N{sub 2} physisorption measurements in order to identify their textural, surface and structural properties. The results show that the material synthesized by sol-gel had the highest surface area of 39.5230 m{sup 2}/g, and a total pore volume of 0.0484 m{sup 3}/g and a pore diameter of 4.9050 nm. The synthesized materials were used to comparatively study their adsorption capacity of Co{sup 2+} ions present in aqueous solutions, by experiments batch or batch type at an ambient temperature (25 grades C) and to 4 hours, balance time established previously under an adsorption kinetic study. They found as maximum adsorption capacities of Co{sup 2+} in materials of 1.8582 mg/g for the calcium carbonate obtained by precipitation, of 0.8586 mg/g for the material obtained by calcining, of 3.1895 mg/g for the material obtained by sol-gel and finally of 2.5783 mg/g for the material obtained by the trigonal/sol-gel method, therefore it follows that the material having the highest adsorption capacity of Co{sup 2+} ions was synthesized by the sol-gel method, because it showed better surface, textural and structural properties compared to other materials studied. (Author)

The Density and Compressibility of BaCO3-SrCO3-CaCO3-K2CO3-Na2CO3-Li2CO3 Liquids: New Measurements and a Systematic Trend with Cation Field Strength

Science.gov (United States)

Hurt, S. M.; Lange, R. A.; Ai, Y.

2015-12-01

The volumetric properties of multi-component carbonate liquids are required to extend thermodynamic models that describe partial melting of the deep mantle (e.g. pMELTS; Ghiorso et al., 2003) to carbonate-bearing lithologies. Carbonate in the mantle is an important reservoir of carbon, which is released to the atmosphere as CO2 through volcanism, and thus contributes to the carbon cycle. Although MgCO3 is the most important carbonate component in the mantle, it is not possible to directly measure the 1-bar density and compressibility of MgCO3 liquid because, like other alkaline-earth carbonates, it decomposes at a temperature lower than its melting temperature. Despite this challenge, Liu and Lange (2003) and O'Leary et al. (2015) showed that the one bar molar volume, thermal expansion and compressibility of the CaCO3 liquid component could be obtained by measuring the density and sound speeds of stable liquids in the CaCO3-Li2CO3-Na2CO3-K2CO3 quaternary system at one bar. In this study, this same strategy is employed on SrCO3- and BaCO3-bearing alkali carbonate liquids. The density and sound speed of seven liquids in the SrCO3-Li2CO3-Na2CO3-K2CO3 quaternary and three liquids in the BaCO3-Li2CO3-Na2CO3-K2CO3 quaternary were measured from 739-1367K, with SrCO3 and BaCO3 concentrations ranging from 10-50 mol%. The density measurements were made using the double-bob Archimedean method and sound speeds were obtained with a frequency-sweep acoustic interferometer. The molar volume and sound speed measurements were used to calculate the isothermal compressibility of each liquid, and the results show the volumetric properties mix ideally with composition. The partial molar volume and compressibility of the SrCO3 and BaCO3 components are compared to those obtained for the CaCO3 component as a function of cation field strength. The results reveal a systematic trend that allows the partial molar volume and compressibility of the MgCO3 liquid component to be estimated.

Corrosion analysis of AlMg2 and AlMgSi using electrochemical method

International Nuclear Information System (INIS)

Dian A; Maman Kartaman; Rosika K; Yanlinastuti

2014-01-01

Corrosion test of cladding materials and structures of research reactor fuel, AlMgSi and AlMg2 have been performed in demineralized water of pH 2 and 6.7 using an electrochemical method. Corrosion phenomenon is affected by several factor such as composition and condition of solution. The purpose of this activity is to investigate the corrosion phenomena through the determination of the parameters of corrosion and polarization curve. The materials used are AlMg2 and AlMgSi alloy in circular dish shape with an area of 1 Cm"2. Preparation of the test sample is performed through several stages polishing, cleaning and drying procedures followed ASTM G3. The electrochemical method is done by measuring the open circuit potential (OCP), polarization resistance and potentiodynamic in demineralized water of pH 2 and pH 6.7 at temperature of 25°C. The results of the OCP is the corrosion potential (Ecorr) of AlMg2 and AlMgSi each of -906.1 mV and -619.8 mV at pH 2 and -868.6 and -756.7 mV at pH 6.7 mV. The results of measurements by polarization resistance technique showed that the corrosion rate of AlMg2 and AlMgSi in safe category (<2 mpy) at pH 6.7 and at pH 2 corrosion rate increased significantly, but still in the lightweight category (<20 mpy). Potentiodynamic curves showed that the passivation at pH 6.7 is very low while the passivation at pH 2 occurs within a relatively short range potential and followed events corroded. (author)

Calcium phosphate/chitosan composite coating: Effect of different concentrations of Mg2+ in the m-SBF on its bioactivity

International Nuclear Information System (INIS)

Zhang, Jie; Dai, Changsong; Wei, Jie; Wen, Zhaohui; Zhang, Shujuan; Lin, Lemin

2013-01-01

The purpose of this study was to investigate the effect of different concentration of Mg 2+ in a modified simulated body fluid (m-SBF) on the bioactivity of calcium phosphate/chitosan composite coating. Calcium phosphate/chitosan composite coating was prepared on graphite substrate via electrophoretic deposition (EPD) followed by conversion in a phosphate buffer solution (PBS). The obtained samples were soaked in the m-SBF containing different concentration of Mg 2+ for different times. And then, the composite coatings were assessed using X-ray diffractometer (XRD), Fourier-transformed infrared spectroscopy (FTIR), Raman spectra, and scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS). The soaking solution was evaluated by inductively coupled plasma optical emission spectrometer (ICP-OES) test. The analytical results showed that hydroxyapatite (HA) and bone-like apatite (HCA) grew on the surface of calcium phosphate/chitosan composite coating after incubation in different m-SBF. With Mg 2+ concentration in m-SBF increased from 1× Mg to 10× Mg, HA in the composite coating first presented a dissolving process and then a precipitating one slowly, while HCA presented a growing trend, continuously. The increasing of Mg 2+ concentration in the m-SBF inhibited the total growing process of HA and HCA as a whole. The structure of the composite coating changed from spherical into irregular morphology with the concentration of Mg 2+ increasing from 1× Mg to 10× Mg. Over all, with the Mg 2+ concentration increasing, the bioactivity of calcium phosphate/chitosan composite coating tended to decrease.

Calcium phosphate/chitosan composite coating: Effect of different concentrations of Mg2+ in the m-SBF on its bioactivity

Science.gov (United States)

Zhang, Jie; Dai, Changsong; Wei, Jie; Wen, Zhaohui; Zhang, Shujuan; Lin, Lemin

2013-09-01

The purpose of this study was to investigate the effect of different concentration of Mg2+ in a modified simulated body fluid (m-SBF) on the bioactivity of calcium phosphate/chitosan composite coating. Calcium phosphate/chitosan composite coating was prepared on graphite substrate via electrophoretic deposition (EPD) followed by conversion in a phosphate buffer solution (PBS). The obtained samples were soaked in the m-SBF containing different concentration of Mg2+ for different times. And then, the composite coatings were assessed using X-ray diffractometer (XRD), Fourier-transformed infrared spectroscopy (FTIR), Raman spectra, and scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS). The soaking solution was evaluated by inductively coupled plasma optical emission spectrometer (ICP-OES) test. The analytical results showed that hydroxyapatite (HA) and bone-like apatite (HCA) grew on the surface of calcium phosphate/chitosan composite coating after incubation in different m-SBF. With Mg2+ concentration in m-SBF increased from 1× Mg to 10× Mg, HA in the composite coating first presented a dissolving process and then a precipitating one slowly, while HCA presented a growing trend, continuously. The increasing of Mg2+ concentration in the m-SBF inhibited the total growing process of HA and HCA as a whole. The structure of the composite coating changed from spherical into irregular morphology with the concentration of Mg2+ increasing from 1× Mg to 10× Mg. Over all, with the Mg2+ concentration increasing, the bioactivity of calcium phosphate/chitosan composite coating tended to decrease.

Patch testing with 2.0% (0.60 mg/cm2) formaldehyde instead of 1.0% (0.30 mg/cm2) detects significantly more contact allerg

DEFF Research Database (Denmark)

Pontén, Ann; Aalto-Korte, Kristiina; Agner, Tove

2013-01-01

.To validate earlier patch test results for comparison of 1% (wt/vol) and 2% (wt/vol) formaldehyde in water, and to investigate co-reactivity with quaternium-15. Materials and methods.In 12 dermatology clinics, 3591 patients were routinely patch tested simultaneously with 2.0% (wt/vol) (0.60 mg/cm(2) ) and 1.......0% (wt/vol) (0.30 mg/cm(2) ) formaldehyde. Micropipettes were used for delivering the exact dosage of the allergen. Results.Significantly more patients reacted to 2.0% formaldehyde than to 1.0% (3.4% versus 1.8%, p

CH3CO + O2 + M (M = He, N2) Reaction Rate Coefficient Measurements and Implications for the OH Radical Product Yield.

Science.gov (United States)

Papadimitriou, Vassileios C; Karafas, Emmanuel S; Gierczak, Tomasz; Burkholder, James B

2015-07-16

The gas-phase CH3CO + O2 reaction is known to proceed via a chemical activation mechanism leading to the formation of OH and CH3C(O)OO radicals via bimolecular and termolecular reactive channels, respectively. In this work, rate coefficients, k, for the CH3CO + O2 reaction were measured over a range of temperature (241-373 K) and pressure (0.009-600 Torr) with He and N2 as the bath gas and used to characterize the bi- and ter-molecular reaction channels. Three independent experimental methods (pulsed laser photolysis-laser-induced fluorescence (PLP-LIF), pulsed laser photolysis-cavity ring-down spectroscopy (PLP-CRDS), and a very low-pressure reactor (VLPR)) were used to characterize k(T,M). PLP-LIF was the primary method used to measure k(T,M) in the high-pressure regime under pseudo-first-order conditions. CH3CO was produced by PLP, and LIF was used to monitor the OH radical bimolecular channel reaction product. CRDS, a complementary high-pressure method, measured k(295 K,M) over the pressure range 25-600 Torr (He) by monitoring the temporal CH3CO radical absorption following its production via PLP in the presence of excess O2. The VLPR technique was used in a relative rate mode to measure k(296 K,M) in the low-pressure regime (9-32 mTorr) with CH3CO + Cl2 used as the reference reaction. A kinetic mechanism analysis of the combined kinetic data set yielded a zero pressure limit rate coefficient, kint(T), of (6.4 ± 4) × 10(-14) exp((820 ± 150)/T) cm(3) molecule(-1) s(-1) (with kint(296 K) measured to be (9.94 ± 1.3) × 10(-13) cm(3) molecule(-1) s(-1)), k0(T) = (7.39 ± 0.3) × 10(-30) (T/300)(-2.2±0.3) cm(6) molecule(-2) s(-1), and k∞(T) = (4.88 ± 0.05) × 10(-12) (T/300)(-0.85±0.07) cm(3) molecule(-1) s(-1) with Fc = 0.8 and M = N2. A He/N2 collision efficiency ratio of 0.60 ± 0.05 was determined. The phenomenological kinetic results were used to define the pressure and temperature dependence of the OH radical yield in the CH3CO + O2 reaction. The

Microbial Reverse-Electrodialysis Electrolysis and Chemical-Production Cell for H2 Production and CO2 Sequestration.

KAUST Repository

Zhu, Xiuping; Hatzell, Marta C; Logan, Bruce E

2014-01-01

Natural mineral carbonation can be accelerated using acid and alkali solutions to enhance atmospheric CO2 sequestration, but the production of these solutions needs to be carbon-neutral. A microbial reverse-electrodialysis electrolysis and chemical-production cell (MRECC) was developed to produce these solutions and H2 gas using only renewable energy sources (organic matter and salinity gradient). Using acetate (0.82 g/L) as a fuel for microorganisms to generate electricity in the anode chamber (liquid volume of 28 mL), 0.45 mmol of acid and 1.09 mmol of alkali were produced at production efficiencies of 35% and 86%, respectively, along with 10 mL of H2 gas. Serpentine dissolution was enhanced 17-87-fold using the acid solution, with approximately 9 mL of CO2 absorbed and 4 mg of CO2 fixed as magnesium or calcium carbonates. The operational costs, based on mineral digging and grinding, and water pumping, were estimated to be only $25/metric ton of CO2 fixed as insoluble carbonates. Considering the additional economic benefits of H2 generation and possible wastewater treatment, this method may be a cost-effective and environmentally friendly method for CO2 sequestration.

Microbial Reverse-Electrodialysis Electrolysis and Chemical-Production Cell for H2 Production and CO2 Sequestration.

KAUST Repository

Zhu, Xiuping

2014-03-24

Natural mineral carbonation can be accelerated using acid and alkali solutions to enhance atmospheric CO2 sequestration, but the production of these solutions needs to be carbon-neutral. A microbial reverse-electrodialysis electrolysis and chemical-production cell (MRECC) was developed to produce these solutions and H2 gas using only renewable energy sources (organic matter and salinity gradient). Using acetate (0.82 g/L) as a fuel for microorganisms to generate electricity in the anode chamber (liquid volume of 28 mL), 0.45 mmol of acid and 1.09 mmol of alkali were produced at production efficiencies of 35% and 86%, respectively, along with 10 mL of H2 gas. Serpentine dissolution was enhanced 17-87-fold using the acid solution, with approximately 9 mL of CO2 absorbed and 4 mg of CO2 fixed as magnesium or calcium carbonates. The operational costs, based on mineral digging and grinding, and water pumping, were estimated to be only $25/metric ton of CO2 fixed as insoluble carbonates. Considering the additional economic benefits of H2 generation and possible wastewater treatment, this method may be a cost-effective and environmentally friendly method for CO2 sequestration.

Fabrication of porous MgCo2O4 with rod-like morphology and its superb catalytic activity towards ammonium perchlorate thermal decomposition

Science.gov (United States)

Li, Gang; Liu, Xiaoli; Bai, Weiyang

2018-03-01

In this paper, porous MgCo2O4 with rod-like morphology was successfully synthesized through the thermal treatment of metal oxalates precursor originated by the reaction of metal sulfates and oxalic acid, without the addition of other additives. The porous rod-like MgCo2O4, with a diameter of several hundred nanometers and a length of several micrometers, was formed through the agglomeration of numerous crystalline grains sized in 10–25 nm. Its catalytic effect on ammonium perchlorate (AP) thermal decomposition was evaluated using differential scanning calorimetry (DSC) techniques. It was found that the pyrolysis temperature of AP reduced by 129 °C and the heat release increased more than 3.19-fold with a 2 wt% addition of MgCo2O4. Meanwhile, the addition of MgCo2O4 resulted in an AP decomposition activation energy reduction from 216 kJ mol‑1 to 155 kJ mol‑1, calculated using the Kissinger correlation. This study provides new insights into the design and development of high performance catalysts for AP thermal decomposition.

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.

Study of the behavior of the compound Mg2Ni0.5Co0.5 front to hydriding process

International Nuclear Information System (INIS)

Martinez, C; Ordonez, S; Serafini, D; Guzman, D; Bustos, O

2012-01-01

This paper study the behavior of the compound Mg 2 Ni 0,5 Co 0,5 during the hydriding process. Elemental powders of Mg, Ni and Co, with an atomic ratio of 2:0,5:0,5 were mechanically alloyed using a high energy mill SPEX 8000D for 36h. The amorphous and crystalline structure of the samples was characterized through X-ray diffraction The hydriding process was performed by the volumetric technique Sievert at 90 o C and a pressure of 20 bar H 2 . The desorption process was evaluated by differential scanning calorimetry. Based on the results we can conclude that the amorphous structure absorbs more hydrogen, reaching a maximum of 3.6 wt% H2, besides the incorporation of cobalt act as catalyst for the absorption of H2 obtaining values higher than those reported in the Mg-Ni system amorphous state. The desorption process is influenced by the type of structure that presents the alloy

First identification and thermodynamic characterization of the ternary U(VI) species, UO2(O2)(CO3)2(4-), in UO2-H2O2-K2CO3 solutions.

Science.gov (United States)

Goff, George S; Brodnax, Lia F; Cisneros, Michael R; Peper, Shane M; Field, Stephanie E; Scott, Brian L; Runde, Wolfgang H

2008-03-17

In alkaline carbonate solutions, hydrogen peroxide can selectively replace one of the carbonate ligands in UO2(CO3)3(4-) to form the ternary mixed U(VI) peroxo-carbonato species UO2(O2)(CO3)2(4-). Orange rectangular plates of K4[UO2(CO3)2(O2)].H2O were isolated and characterized by single crystal X-ray diffraction studies. Crystallographic data: monoclinic, space group P2(1)/ n, a = 6.9670(14) A, b = 9.2158(10) A, c = 18.052(4) A, Z = 4. Spectrophotometric titrations with H 2O 2 were performed in 0.5 M K 2CO 3, with UO2(O2)(CO3)2(4-) concentrations ranging from 0.1 to 0.55 mM. The molar absorptivities (M(-1) cm(-1)) for UO2(CO3)3(4-) and UO2(O2)(CO3)2(4-) were determined to be 23.3 +/- 0.3 at 448.5 nm and 1022.7 +/- 19.0 at 347.5 nm, respectively. Stoichiometric analyses coupled with spectroscopic comparisons between solution and solid state indicate that the stable solution species is UO2(O2)(CO3)2(4-), which has an apparent formation constant of log K' = 4.70 +/- 0.02 relative to the tris-carbonato complex.

Spectroscopic Observation of Water-Mediated Deformation of the CARBOXYLATE-M2+ (M= Mg, Ca) Contact Ion Pair

Science.gov (United States)

Kelleher, Patrick J.; DePalma, Joseph W.; Johnson, Mark

2016-06-01

The binding of alkaline earth dications to the biologically relevant carboxylate ligand has previously been studied using vibrational sum frequency generation (VSFG) spectroscopy of the air-water interface, infrared multiple photon dissociation (IRMPD) spectroscopy of clusters, and DFT methods. These results suggest the presence of both monodentate and bidentate binding motifs of the M2+ ions to the cayboxyl head groups depending on the extent of solvation. We revisit these systems using vibrational predissociation spectroscopy to measure the gas-phase vibrational spectra of the D2-tagged microhydrated [MgOAc(H2O)n=1-5]+ and [CaOAc(H2O)n=1-6]+ clusters. The spectra show that [MgOAc(H2O)n]+ switches from bidentate to monodentate binding promptly at n = 5, while [CaOAc(H2O)n]+ retains its bidentate attachment such that the sixth water molecule initiates the second solvation shell. The difference in binding behavior between these two divalent metal ions is analyzed in the context of the local acidity of the solvent water molecules and the strength of the metal-carboxylate and metal-water interactions. This cluster study provides insight into the chemical physics underlying the unique and surprising impacts of Mg2+ and Ca2+ on the chemistry mediated by sea spray aerosols. Funding for this work was provided by the NSF's Center for Aerosol Impacts on Climate and the Environment.

SYNGAS PRODUCTION FROM CO2-REFORMING OF CH4 OVER SOL-GEL SYNTHESIZED Ni-Co/Al2O3-MgO-ZrO2 NANOCATALYST: EFFECT OF ZrO2 PRECURSOR ON CATALYST PROPERTIES AND PERFORMANCE

Directory of Open Access Journals (Sweden)

Seyed Mehdi Sajjadi

2015-05-01

Full Text Available Ni-Co/Al2O3-MgO-ZrO2 nanocatalyst with utilization of two different zirconia precursors, namely, zirconyl nitrate hydrate (ZNH and zirconyl nitrate solution (ZNS, was synthesized via the sol-gel method. The physiochemical properties of nanocatalysts were characterized by XRD, FESEM, EDX, BET and FTIR analyses and employed for syngas production from CO2-reforming of CH4. XRD patterns, exhibiting proper crystalline structure and homogeneous dispersion of active phase for the nanocatalyst ZNS precursor employed (NCAMZ-ZNS. FESEM and BET results of NCAMZ-ZNS presented more uniform morphology and smaller particle size and consequently higher surface areas. In addition, average particle size of NCAMZ-ZNS was 15.7 nm, which is close to the critical size for Ni-Co catalysts to avoid carbon formation. Moreover, FESEM analysis indicated both prepared samples were nanoscale. EDX analysis confirmed the existence of various elements used and also supported the statements made in the XRD and FESEM analyses regarding dispersion. Based on the excellent physiochemical properties, NCAMZ-ZNS exhibited the best reactant conversion across all of the evaluated temperatures, e.g. CH4 and CO2 conversions were 97.2 and 99% at 850 ºC, respectively. Furthermore, NCAMZ-ZNS demonstrated a stable yield with H2/CO close to unit value during the 1440 min stability test.

Parameters of thermoelectric power and electronic structure of Yb-based compounds of YbM2X2(M=Fe,Co,Ni,Cu; X=Si,Ge) type

International Nuclear Information System (INIS)

Levin, E.M.; Kuzhel', B.S.

1990-01-01

Thermoelectric power of Yb-based intermetallic alloys YbM 2 Si 2 (M-Co,Ni,Cu) and YbM 2 Ge 2 (M=Fe,Co,Ni) have been investigated and found to have anomalous low-temperature peaks conditioned by intermediate Yb valency. Calculation of electronic structure parameters performed in frames of the localized Fermi-liquid model using experimental data on the thermoelectric power is in good agreement with results of YbCu 2 Si 2 band structure calculation based on the experimental value of the electronic heat capacity with regard for the (2J+1) - fold Yb 2+ degeneration

Amine–mixed oxide hybrid materials for carbon dioxide adsorption from CO2/H2 mixture

Science.gov (United States)

Ravi, Navin; Aishah Anuar, Siti; Yusuf, Nur Yusra Mt; Isahak, Wan Nor Roslam Wan; Shahbudin Masdar, Mohd

2018-05-01

Bio-hydrogen mainly contains hydrogen and high level of carbon dioxide (CO2). High concentration of CO2 lead to a limitation especially in fuel cell application. In this study, the amine-mixed oxide hybrid materials for CO2 separation from bio-hydrogen model (50% CO2:50% H2) have been studied. Fourier-transform infrared spectroscopy (FTIR) and x-ray diffraction (XRD) characterizations showed that the amine–mixed oxide hybrid materials successfully adsorbed CO2 physically with no chemical adsorption evidence. The dry gas of CO2/H2 mixture adsorbed physically on amine–CuO–MgO hybrid material. No carbonates were detected after several times of adsorption, which indicated the good recyclability of adsorbents. The adsorbent system of diethanolamine (DEA)/15% CuO–75% MgO showed the highest CO2 adsorption capacity of 21.2 wt% due to the presence of polar substance on MgO surface, which can adsorb CO2 at ambient condition. The alcohol group of DEA can enhance the CO2 solubility on the adsorbent surface. In the 20% CuO–50% MgO adsorbent system, DEA as amine type showed a high CO2 adsorption of 19.4 wt%. The 10% amine loading system showed that the DEA adsorption system provided high CO2 adsorption. The BET analysis confirmed that a high amine loading contributed to the decrease in CO2 adsorption due to the low surface area of the adsorbent system.

Photoacoustic CO2 sensor based on a DFB diode laser at 2.7 μm

Science.gov (United States)

Wolff, M.; Germer, M.; Groninga, H. G.; Harde, H.

2008-01-01

We present a new detection scheme for carbon dioxide (CO{2}) based on a custom-made room temperature distributed feedback (DFB) diode laser at 2.7 μm, currently representing one of the lasers with the highest emission wavelength of its kind. The detector's especially compact and simple set-up is based on photoacoustic spectroscopy (PAS). This method makes use of the transformation of absorbed modulated radiation into a sound wave. The sensor enables a very high detection sensitivity for CO{2} in the ppb range. Furthermore, the carefully selected spectral region as well as the narrow bandwidth and wide tunability of the single-mode laser ensure an excellent selectivity. Even measurements of different CO{2} isotopes can be easily performed. This enables applications in industrial sensing and medical diagnostics (e.g. 13C-breath tests).

ß-Adrenergic Stimulation Increases RyR2 Activity via Intracellular Ca2+ and Mg2+ Regulation

Science.gov (United States)

Li, Jiao; Imtiaz, Mohammad S.; Beard, Nicole A.; Dulhunty, Angela F.; Thorne, Rick; vanHelden, Dirk F.; Laver, Derek R.

2013-01-01

Here we investigate how ß-adrenergic stimulation of the heart alters regulation of ryanodine receptors (RyRs) by intracellular Ca2+ and Mg2+ and the role of these changes in SR Ca2+ release. RyRs were isolated from rat hearts, perfused in a Langendorff apparatus for 5 min and subject to 1 min perfusion with 1 µM isoproterenol or without (control) and snap frozen in liquid N2 to capture their phosphorylation state. Western Blots show that RyR2 phosphorylation was increased by isoproterenol, confirming that RyR2 were subject to normal ß-adrenergic signaling. Under basal conditions, S2808 and S2814 had phosphorylation levels of 69% and 15%, respectively. These levels were increased to 83% and 60%, respectively, after 60 s of ß-adrenergic stimulation consistent with other reports that ß-adrenergic stimulation of the heart can phosphorylate RyRs at specific residues including S2808 and S2814 causing an increase in RyR activity. At cytoplasmic [Ca2+] adrenergic stimulation increased luminal Ca2+ activation of single RyR channels, decreased luminal Mg2+ inhibition and decreased inhibition of RyRs by mM cytoplasmic Mg2+. At cytoplasmic [Ca2+] >1 µM, ß-adrenergic stimulation only decreased cytoplasmic Mg2+ and Ca2+ inhibition of RyRs. The Ka and maximum levels of cytoplasmic Ca2+ activation site were not affected by ß-adrenergic stimulation. Our RyR2 gating model was fitted to the single channel data. It predicted that in diastole, ß-adrenergic stimulation is mediated by 1) increasing the activating potency of Ca2+ binding to the luminal Ca2+ site and decreasing its affinity for luminal Mg2+ and 2) decreasing affinity of the low-affinity Ca2+/Mg2+ cytoplasmic inhibition site. However in systole, ß-adrenergic stimulation is mediated mainly by the latter. PMID:23533585

Generation of H{sub 2} and CO by solar thermochemical splitting of H{sub 2}O and CO{sub 2} by employing metal oxides

Energy Technology Data Exchange (ETDEWEB)

Rao, C.N.R., E-mail: cnrrao@jncasr.ac.in; Dey, Sunita

2016-10-15

Generation of H{sub 2} and CO by splitting H{sub 2}O and CO{sub 2} respectively constitutes an important aspect of the present-day concerns with energy and environment. The solar thermochemical route making use of metal oxides is a viable means of accomplishing these reduction reactions. The method essentially involves reducing a metal oxide by heating and passing H{sub 2}O or CO{sub 2} over the nonstoichiometric oxide to cause reverse oxidation by abstracting oxygen from H{sub 2}O or CO{sub 2}. While ceria, perovskites and other oxides have been investigated for this purpose, recent studies have demonstrated the superior performance of perovskites of the type Ln{sub 1−x}A{sub x}Mn{sub 1−y}M{sub y}O{sub 3} (Ln=rare earth, A=alkaline earth, M=various +2 and +3 metal ions), in the thermochemical generation of H{sub 2} and CO. We present the important results obtained hitherto to point out how the alkaine earth and the Ln ions, specially the radius of the latter, determine the performance of the perovskites. The encouraging results obtained are exemplefied by Y{sub 0.5}Sr{sub 0.5}MnO{sub 3} which releases 483 µmol/g of O{sub 2} at 1673 K and produces 757 µmol/g of CO from CO{sub 2} at 1173 K. The production of H{sub 2} from H{sub 2}O is also quite appreciable. Modification of the B site ion of the perovskite also affects the performance. In addition to perovskites, we present the generation of H{sub 2} based on the Mn{sub 3}O{sub 4}/NaMnO{sub 2} cycle briefly. - Graphical abstract: Ln{sub 0.5}A{sub 0.5}Mn{sub 1−x}M{sub x}O{sub 3} (Ln=lanthanide; A=Ca, Sr; M=Al, Ga, Sc, Mg, Cr, Fe, Co) perovskites are employed for the two step thermochemical splitting of CO{sub 2} and H{sub 2}O for the generation of CO and H{sub 2}. - Highlights: • Perovskite oxides based on Mn are ideal for the two-step thermochemical splitting of CO{sub 2} and H{sub 2}O. • In Ln{sub 1−x}A{sub x}MnO{sub 3} perovskite (Ln=rare earth, A=alkaline earth) both Ln and A ions play major roles

Fabrication of Polycrystalline Transparent Co+2: MgAl2O4 by a Combination of Spark Plasma Sintering (SPS and Hot Isostatic Pressing (HIP Processes

Directory of Open Access Journals (Sweden)

Sokol Maxim

2017-01-01

Full Text Available Transparent Co2+ doped MgAl2Ob4 spinel was fabricated by SPS consolidation followed by and HIP treatment. It was established that HIP treatment significantly improved transparency of the ceramic in a wide range of wavelengths, especially, in a range, which is relevant for Q-switching. Nonlinear absorption was demonstrated and the ground and excited state absorption cross sections were estimated. The positive effect of the HIP treatment on the optical properties is related to an elimination of extremely fine porosity and to the location of Co ions at Mg2+sites in the spinel ionic structure. The experimental results indicate that the fabricated specimens can be used as a passive laser Q-switching material.

Structurally characterized 1,1,3,3-tetramethylguanidine solvated magnesium aryloxide complexes: [Mg(mu-OEt)(DBP)(H-TMG)]2, [Mg(mu-OBc)(DBP)(H-TMG)]2, [Mg(mu-TMBA)(DBP)(H-TMG)]2, [Mg(mu-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2 (H-TMG)2].

Science.gov (United States)

Monegan, Jessie D; Bunge, Scott D

2009-04-06

The synthesis and structural characterization of several 1,1,3,3-tetramethylguanidine (H-TMG) solvated magnesium aryloxide complexes are reported. Bu(2)Mg was successfully reacted with H-TMG, HOC(6)H(3)(CMe(3))(2)-2,6 (H-DBP), and either ethanol, a carboxylic acid, or diphenyl phosphate in a 1:1 ratio to yield the corresponding [Mg(mu-L)(DBP)(H-TMG)](2) where L = OCH(2)CH(3) (OEt, 1), O(2)CC(CH(3))(3) (OBc, 2), O(2)C(C(6)H(2)-2,4,6-(CH(3))(3)) (TMBA, 3), or O(2)P(OC(6)H(5))(2) (DPP, 4). Bu(2)Mg was also reacted with two equivalents of H-TMG and HOC(6)H(3)(CMe(3))-2-(CH(3))-6 (BMP) or HO-2,6-Ph(2)C(6)H(3) to yield [Mg(BMP)(2)(H-TMG)(2)] (5) and [Mg(O-2,6-Ph(2)C(6)H(3))(2)(H-TMG)(2)] (6). Compounds 1-6 were characterized by single-crystal X-ray diffraction. Polymerization of l- and rac-lactide with 1 was found to generate polylactide (PLA). A discussion concerning the relevance of compounds 2 - 4 to the structure of Mg-activated phosphatase enzymes is also provided. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and (1)H, (13)C and (31)P NMR studies.

CO2 line-mixing database and software update and its tests in the 2.1 μm and 4.3 μm regions

International Nuclear Information System (INIS)

Lamouroux, J.; Régalia, L.; Thomas, X.; Vander Auwera, J.; Gamache, R.R.; Hartmann, J.-M.

2015-01-01

An update of the former version of the database and software for the calculation of CO 2 –air absorption coefficients taking line-mixing into account [Lamouroux et al. J Quant Spectrosc Radiat Transf 2010;111:2321] is described. In this new edition, the data sets were constructed using parameters from the 2012 version of the HITRAN database and recent measurements of line-shape parameters. Among other improvements, speed-dependent profiles can now be used if line-mixing is treated within the first order approximation. This new package is tested using laboratory spectra measured in the 2.1 μm and 4.3 μm spectral regions for various pressures, temperatures and CO 2 concentration conditions. Despite improvements at 4.3 μm at room temperature, the conclusions on the quality of this update are more ambiguous at low temperature and in the 2.1 μm region. Further tests using laboratory and atmospheric spectra are thus required for the evaluation of the performances of this updated package. - Highlights: • High resolution infrared spectroscopy. • CO 2 in air. • Updated tools. • Line mixing database and software

Immobilization of glucose oxidase using CoFe2O4/SiO2 nanoparticles as carrier

Science.gov (United States)

Wang, Hai; Huang, Jun; Wang, Chao; Li, Dapeng; Ding, Liyun; Han, Yun

2011-04-01

Aminated-CoFe2O4/SiO2 magnetic nanoparticles (NPs) were prepared from primary silica particles using modified StÖber method. Glucose oxidase (GOD) was immobilized on CoFe2O4/SiO2 NPs via cross-linking with glutaraldehyde (GA). The optimal immobilization condition was achieved with 1% (v/v) GA, cross-linking time of 3 h, solution pH of 7.0 and 0.4 mg GOD (in 3.0 mg carrier). The immobilized GOD showed maximal catalytic activity at pH 6.5 and 40 °C. After immobilization, the GOD exhibited improved thermal, storage and operation stability. The immobilized GOD still maintained 80% of its initial activity after the incubation at 50 °C for 25 min, whereas free enzyme had only 20% of initial activity after the same incubation. After kept at 4 °C for 28 days, the immobilized and free enzyme retained 87% and 40% of initial activity, respectively. The immobilized GOD maintained approximately 57% of initial activity after reused 7 times. The KM (Michaelis-Menten constant) values for immobilized GOD and free GOD were 14.6 mM and 27.1 mM, respectively.

Pseudobrookite-type MgTi2O5 water purification filter with controlled particle morphology

Directory of Open Access Journals (Sweden)

Yuta Nakagoshi

2015-09-01

Full Text Available Pseudobrookite-type oxide-based ceramics, such as Al2TiO5 and MgTi2O5, have recently been studied as porous ceramic membranes. Here, the effect of LiF doping on the morphology of MgTi2O5 particles is presented in detail. Water purification filters were produced using porous MgTi2O5, with different particle morphologies. MgCO3 (basic and TiO2 powders with various LiF contents were wet-ball milled, dried, and then, calcined in air at 1100 °C to obtain the MgTi2O5 powders. The powder compacts were sintered at 1000–1200 °C to produce the MgTi2O5 disk filters. The 0.5 wt.% LiF-doped MgTi2O5 disk filter, with elongated grains, showed well-balanced performance removing boehmite particles with diameter of 0.7 μm. Non-doped MgTi2O5 disk filter with equiaxed grains was suitable for precise filtration.

Raman spectroscopy of DNA-metal complexes. II. The thermal denaturation of DNA in the presence of Sr2+, Ba2+, Mg2+, Ca2+, Mn2+, Co2+, Ni2+, and Cd2+.

Science.gov (United States)

Duguid, J G; Bloomfield, V A; Benevides, J M; Thomas, G J

1995-12-01

Differential scanning calorimetry, laser Raman spectroscopy, optical densitometry, and pH potentiometry have been used to investigate DNA melting profiles in the presence of the chloride salts of Ba2+, Sr2+, Mg2+, Ca2+, Mn2+, Co2+, Ni2+, and Cd2+. Metal-DNA interactions have been observed for the molar ratio [M2+]/[PO2-] = 0.6 in aqueous solutions containing 5% by weight of 160 bp mononucleosomal calf thymus DNA. All of the alkaline earth metals, plus Mn2+, elevate the melting temperature of DNA (Tm > 75.5 degrees C), whereas the transition metals Co2+, Ni2+, and Cd2+ lower Tm. Calorimetric (delta Hcal) and van't Hoff (delta HVH) enthalpies of melting range from 6.2-8.7 kcal/mol bp and 75.6-188.6 kcal/mol cooperative unit, respectively, and entropies from 17.5 to 24.7 cal/K mol bp. The average number of base pairs in a cooperative melting unit () varied from 11.3 to 28.1. No dichotomy was observed between alkaline earth and transition DNA-metal complexes for any of the thermodynamic parameters other than their effects on Tm. These results complement Raman difference spectra, which reveal decreases in backbone order, base unstacking, distortion of glycosyl torsion angles, and rupture of hydrogen bonds, which occur after thermal denaturation. Raman difference spectroscopy shows that transition metals interact with the N7 atom of guanine in duplex DNA. A broader range of interaction sites with single-stranded DNA includes ionic phosphates, the N1 and N7 atoms of purines, and the N3 atom of pyrimidines. For alkaline earth metals, very little interaction was observed with duplex DNA, whereas spectra of single-stranded complexes are very similar to those of melted DNA without metal. However, difference spectra reveal some metal-specific perturbations at 1092 cm-1 (nPO2-), 1258 cm-1 (dC, dA), and 1668 cm-1 (nC==O, dNH2 dT, dG, dC). Increased spectral intensity could also be observed near 1335 cm-1 (dA, dG) for CaDNA. Optical densitometry, employed to detect DNA

Peculiarities of the intermediate valence state of Ce in CeM2Si2 (M = Fe, Co, Ni) compounds

International Nuclear Information System (INIS)

Koterlyn, M.; Shcherba, I.; Yasnitskii, R.; Koterlyn, G.

2007-01-01

The results of thermoelectric power and the electrical resistivity measurements connected with the intermediate valence (IV) of Ce are presented for the compounds CeM 2 Si 2 (M = Fe, Co, Ni) in the temperature range of 4-800 K. It is shown that CeM 2 Si 2 are Kondo-lattices with the coherence scale T coh ∼ 60-80 K and the so-called single-site Kondo temperature T K ∼ 10 3 K. On the example of CeNi 2 Si 2 we have studied the changes in the structure of density of f states (f-DOS) near the Fermi energy caused by atomic substitutions. The results of structural, transport, magnetic, and Ce L III X-ray absorption spectra measurements in the series Ce 1-x La x Ni 2 Si 2 (0 ≤ x ≤ 0.6), Ce(Ni 1-y Cu y ) 2 Si 2 (0 ≤ y ≤ 0.6) and CeNi 2 (Si 1-z Ge z ) 2 (0 ≤ z ≤ 0.5) are presented. We found that the IV state of Ce in the CeM 2 Si 2 is an evidence of possible opening a wide pseudogap Δ ∼ kT K within the f-DOS structure slightly above the Fermi energy

Theoretical descriptions of novel triplet germylenes M1-Ge-M2-M3 (M1 = H, Li, Na, K; M2 = Be, Mg, Ca; M3 = H, F, Cl, Br).

Science.gov (United States)

Kassaee, Mohamad Zaman; Ashenagar, Samaneh

2018-02-06

In a quest to identify new ground-state triplet germylenes, the stabilities (singlet-triplet energy differences, ΔE S-T ) of 96 singlet (s) and triplet (t) M 1 -Ge-M 2 -M 3 species were compared and contrasted at the B3LYP/6-311++G**, QCISD(T)/6-311++G**, and CCSD(T)/6-311++G** levels of theory (M 1  = H, Li, Na, K; M 2  = Be, Mg, Ca; M 3  = H, F, Cl, Br). Interestingly, F-substituent triplet germylenes (M 3  = F) appear to be more stable and linear than the corresponding Cl- or Br-substituent triplet germylenes (M 3  = Cl or Br). Triplets with M 1  = K (i.e., the K-Ge-M 2 -M 3 series) seem to be more stable than the corresponding triplets with M 1  = H, Li, or Na. This can be attributed to the higher electropositivity of potassium. Triplet species with M 3  = Cl behave similarly to those with M 3  = Br. Conversely, triplets with M 3  = H show similar stabilities and linearities to those with M 3  = F. Singlet species of formulae K-Ge-Ca-Cl and K-Ge-Ca-Br form unexpected cyclic structures. Finally, the triplet germylenes M 1 -Ge-M 2 -M 3 become more stable as the electropositivities of the α-substituents (M 1 and M 2 ) and the electronegativity of the β-substituent (M 3 ) increase.

Surface CO2 leakage during the first shallow subsurface CO2 release experiment

OpenAIRE

Lewicki, J.L.; Oldenburg, C.; Dobeck, L.; Spangler, L.

2008-01-01

A new field facility was used to study CO2 migration processes and test techniques to detect and quantify potential CO2 leakage from geologic storage sites. For 10 days starting 9 July 2007, and for seven days starting 5 August 2007, 0.1 and 0.3 t CO2 d-1, respectively, were released from a ~;100-m long, sub-water table (~;2.5-m depth) horizontal well. The spatio-temporal evolution of leakage was mapped through repeated grid measurements of soil CO2 flux (FCO2). The surface leakage onset...

Extraction Of Cobalt From Spent CMB Catalyst Using Supercritical CO2

Directory of Open Access Journals (Sweden)

Joo S.-H.

2015-06-01

Full Text Available The metal extraction from spent CMB catalyst using supercritical CO2(scCO2 was investigated with single organic system, binary organic system and ternary organic system to extract metal ions. Leaching solution of spent CMB catalyst containing 389 mg L−1 Co2+, 187 mg L−1 Mn2+, 133 mg L−1 Na+, 14.97 mg L−1 Ca2+ and 13.2 mg L−1 Mg2+. The method consists of scCO2/ligands complexation process and metal extraction process at 60°C and 200bar. The result showed the Co and Mn was selectively extracted from Mg, Ca and Na in the ternary system of mixture of Cyanex272, DEA and Alamine304-I.

Exploring the MIS M2 glaciation occurring during a warm and high atmospheric CO2 Pliocene background climate

Science.gov (United States)

Tan, Ning; Ramstein, Gilles; Dumas, Christophe; Contoux, Camille; Ladant, Jean-Baptiste; Sepulchre, Pierre; Zhang, Zhongshi; De Schepper, Stijn

2017-08-01

Prior to the Northern Hemisphere glaciation around ∼2.7 Ma, a large global glaciation corresponding to a 20 to 60 m sea-level drop occurred during Marine Isotope Stage (MIS) M2 (3.312-3.264 Ma), interrupted the period of global warmth and high CO2 concentration (350-450 ppmv) of the mid Piacenzian. Unlike the late Quaternary glaciations, the M2 glaciation only lasted 50 kyrs and occurred under uncertain CO2 concentration (220-390 ppmv). The mechanisms causing the onset and termination of the M2 glaciation remain enigmatic, but a recent geological hypothesis suggests that the re-opening and closing of the shallow Central American Seaway (CAS) might have played a key role. In this article, thanks to a series of climate simulations carried out using a fully coupled Atmosphere Ocean General Circulation Model (GCM) and a dynamic ice sheet model, we show that re-opening of the shallow CAS helps precondition the low-latitude oceanic circulation and affects the related northward energy transport, but cannot alone explain the onset of the M2 glaciation. The presence of a shallow open CAS, together with favourable orbital parameters, 220 ppmv of CO2 concentration, and the related vegetation and ice sheet feedback, led to a global ice sheet build-up producing a global sea-level drop in the lowest range of proxy-derived estimates. More importantly, our results show that the simulated closure of the CAS has a negligible impact on the NH ice sheet melt and cannot explain the MIS M2 termination.

Investigation into the dehydration of selenate doped Na2M(SO4)2·2H2O (M = Mn, Fe, Co and Ni): Stabilisation of the high Na content alluaudite phases Na3M1.5(SO4)3-1.5x(SeO4)1.5x (M = Mn, Co and Ni) through selenate incorporation

Science.gov (United States)

Driscoll, L. L.; Kendrick, E.; Knight, K. S.; Wright, A. J.; Slater, P. R.

2018-02-01

In this paper we report an investigation into the phases formed on dehydration of Na2M(SO4)2-x(SeO4)x·2H2O (0 ≤ x ≤ 1; M = Mn, Fe, Co and Ni). For the Fe series, all attempts to dehydrate the samples doped with selenate resulted in amorphous products, and it is suspected that a side redox reaction involving the Fe and selenate may be occurring leading to phase decomposition and hence the lack of a crystalline product on dehydration. For M = Mn, Co, Ni, the structure observed was shown to depend upon the transition metal cation and level of selenate doping. An alluaudite phase, Na3M1.5(SO4)3-1.5x(SeO4)1.5x, was observed for the selenate doped compositions, with this phase forming as a single phase for x ≥ 0.5 M = Co, and x = 1.0 M = Ni. For M = Mn, the alluaudite structure is obtained across the series, albeit with small impurities for lower selenate content samples. Although the alluaudite-type phases Na2+2y(Mn/Co)2-y(SO4)3 have recently been reported [1,2], doping with selenate appears to increase the maximum sodium content within the structure. Moreover, the selenate doped Ni based samples reported here are the first examples of a Ni sulfate/selenate containing system exhibiting the alluaudite structure.

Calcium phosphate/chitosan composite coating: Effect of different concentrations of Mg{sup 2+} in the m-SBF on its bioactivity

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jie [School of Chemistry Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Pharmacy College, Jiamusi University, Jiamusi 154007 (China); Dai, Changsong, E-mail: changsd@hit.edu.cn [School of Chemistry Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Wei, Jie [School of Chemistry Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); School of Chemistry and Bioengineering, Suzhou Science Technology University, Suzhou 215009 (China); Wen, Zhaohui, E-mail: wenzhaohui1968@163.com [Department of neuro intern, First Affiliated Hospital of Harbin Medical University, Harbin 150001 (China); Zhang, Shujuan; Lin, Lemin [Department of neuro intern, First Affiliated Hospital of Harbin Medical University, Harbin 150001 (China)

2013-09-01

The purpose of this study was to investigate the effect of different concentration of Mg{sup 2+} in a modified simulated body fluid (m-SBF) on the bioactivity of calcium phosphate/chitosan composite coating. Calcium phosphate/chitosan composite coating was prepared on graphite substrate via electrophoretic deposition (EPD) followed by conversion in a phosphate buffer solution (PBS). The obtained samples were soaked in the m-SBF containing different concentration of Mg{sup 2+} for different times. And then, the composite coatings were assessed using X-ray diffractometer (XRD), Fourier-transformed infrared spectroscopy (FTIR), Raman spectra, and scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS). The soaking solution was evaluated by inductively coupled plasma optical emission spectrometer (ICP-OES) test. The analytical results showed that hydroxyapatite (HA) and bone-like apatite (HCA) grew on the surface of calcium phosphate/chitosan composite coating after incubation in different m-SBF. With Mg{sup 2+} concentration in m-SBF increased from 1× Mg to 10× Mg, HA in the composite coating first presented a dissolving process and then a precipitating one slowly, while HCA presented a growing trend, continuously. The increasing of Mg{sup 2+} concentration in the m-SBF inhibited the total growing process of HA and HCA as a whole. The structure of the composite coating changed from spherical into irregular morphology with the concentration of Mg{sup 2+} increasing from 1× Mg to 10× Mg. Over all, with the Mg{sup 2+} concentration increasing, the bioactivity of calcium phosphate/chitosan composite coating tended to decrease.

In situ preparation of MgCo2O4 nanosheets on Ni-foam as a binder-free electrode for high performance hybrid supercapacitors.

Science.gov (United States)

Vijayakumar, Subbukalai; Nagamuthu, Sadayappan; Ryu, Kwang-Sun

2018-05-15

A binder-free, MgCo2O4 nanosheet-like architecture was prepared on Ni-foam using a hydrothermal method. MgCo2O4/Ni-foam was characterized by X-ray diffraction, field emission scanning electron microscopy (FESEM), and transmission electron microscopy techniques. The FESEM image revealed a nanosheet array-like architecture. The MgCo2O4 nanosheets grown on Ni-foam exhibited the maximum specific capacity of 947 C g-1 at a specific current of 2 A g-1. Approximately 96% of the specific capacity was retained from the maximum specific capacity after 5000 continuous charge-discharge cycles. This hybrid device exhibited a maximum specific capacity of 52 C g-1 at a specific current of 0.5 A g-1, and also exhibited a maximum specific energy of 12.99 W h kg-1 at a specific power of 448.7 W kg-1. These results confirmed that the binder-free MgCo2O4 nanosheets grown on Ni-foam are a suitable positive electrode material for hybrid supercapacitors.

Tunneling-Magnetoresistance Ratio Comparison of MgO-Based Perpendicular-Magnetic-Tunneling-Junction Spin Valve Between Top and Bottom Co2Fe6B2 Free Layer Structure.

Science.gov (United States)

Lee, Du-Yeong; Lee, Seung-Eun; Shim, Tae-Hun; Park, Jea-Gun

2016-12-01

For the perpendicular-magnetic-tunneling-junction (p-MTJ) spin valve with a nanoscale-thick bottom Co2Fe6B2 free layer ex situ annealed at 400 °C, which has been used as a common p-MTJ structure, the Pt atoms of the Pt buffer layer diffused into the MgO tunneling barrier. This transformed the MgO tunneling barrier from a body-centered cubic (b.c.c) crystallized layer into a mixture of b.c.c, face-centered cubic, and amorphous layers and rapidly decreased the tunneling-magnetoresistance (TMR) ratio. The p-MTJ spin valve with a nanoscale-thick top Co2Fe6B2 free layer could prevent the Pt atoms diffusing into the MgO tunneling barrier during ex situ annealing at 400 °C because of non-necessity of a Pt buffer layer, demonstrating the TMR ratio of ~143 %.

Solubility of uranovanadates of the series A2+(VUO6)2 · nH2O (A2+ = Mg, Ca, Sr, Ba, Co, Ni, Cu, Pb) in water or aqueous solutions

International Nuclear Information System (INIS)

Chernorukov, N.G.; Sulejmanov, E.V.; Nipruk, O.V.; Lizunova, G.M.

2001-01-01

Solubility of uranovanadates of the series A 2+ (VUO 6 ) 2 · nH 2 O (A 2+ - Mg, Ca, Sr, Ba, Co, Ni, Cu, Pb) in water and aqueous solutions of inorganic acids at 25 deg C and different pH values was determined experimentally. The data obtained permitted calculation the Gibbs standard functions of formation and consideration of their state under conditions that were not studied experimentally, in the presence of carbon dioxide, in particular [ru

Structural and optical studies of Mg doped nanoparticles of chromium oxide (Cr2O3) synthesized by co-precipitation method

Science.gov (United States)

Singh, Jarnail; Verma, Vikram; Kumar, Ravi

2018-04-01

We present here the synthesization, structural and optical studies of Mg doped nanoparticles of Chromium oxide (Cr2O3) prepared using co-precipitation method. These samples were characterized using powder X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Raman spectroscopy and UV-Vis spectroscopy techniques. We have demonstrated that there is negligible change in optical band gap with the Mg doping. The prepared Cr2O3 nanoparticles are spherical in shape, but they are transformed into platelets when doped with Mg. The XRD studies reveal that the Mg doping in Cr2O3 doesn't affect the structure of Chromium oxide (Cr2O3).

Synthesize and electrochemical characterization of Mg-doped Li-rich layered Li[Li0.2Ni0.2Mn0.6]O2 cathode material

International Nuclear Information System (INIS)

Wang, Dan; Huang, Yan; Huo, Zhenqing; Chen, Li

2013-01-01

Highlights: • Layered Li[Li 0.2 Ni 0.2−x Mn 0.6−x Mg 2x ]O 2 (2x = 0, 0.01, 0.02, 0.05) were synthetized. • Li[Li 0.2 Ni 0.2−x Mn 0.6−x Mg 2x ]O 2 exhibit enhanced electrochemical properties. • The improved performance is attributed to enhanced structure stability. -- Abstract: Mg-doped Li[Li 0.2 Ni 0.2 Mn 0.6 ]O 2 as a Li-rich cathode material of lithium-ion batteries were prepared by co-precipitation method and ball-milling treatment using Mg(OH) 2 as a dopant. Scanning electron microscopy (SEM), ex situ X-ray powder diffraction (XRD), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and galvantatic charge/discharge were used to investigate the effect of Mg doping on structure and electrochemical performance. Compared with the bare material, Mg-doped materials exhibit better cycle stabilities and superior rate capabilities. Li[Li 0.2 Ni 0.195 Mn 0.595 Mg 0.01 ]O 2 displays a high reversible capacity of 226.5 mAh g −1 after 60 cycles at 0.1 C. The excellent cycle performance can be attributed to the improvement in structure stability, which is verified by XRD tests before and after 60 cycles. EIS results show that Mg doping decreases the charge-transfer resistance and enhances the reaction kinetics, which is considered to be the major factor for higher rate performance

Development of the 1.6μm OPG/OPA system wavelength-controlled precisely for CO2 DIAL

Science.gov (United States)

Abo, M.; Shibata, Y.; Nagasawa, C.

2010-12-01

We developed an optical parametric oscillator (OPO) laser system for 1.6μm CO2 DIAL1). In order to improve the measurement accuracy of CO2 profiles, development of high power and wavelength stabilized laser system has been conducted. We report a new high-power 1.6μm laser transmitter based on a parametric master oscillator-power amplifier (MOPA) system pumped by a LD-pumped Q-switched Nd:YAG laser which has the injection seed laser locked to the iodine absorption line. The master oscillator is an optical parametric generator (OPG), based on an MgO-doped periodically poled LiTaO3 (PPMgLT) crystal. The OPOs require either active control of the cavity length or slight misalignment of the cavity. On the other hand, the OPGs do not require a cavity and instead rely on sufficient conversion efficiency to be obtained with a single pass through the crystal. The single-frequency oscillation of the OPG was achieved by injection seeding. The 1.6μm emission of the OPG is amplified by two-stage optical parametric amplifiers (OPAs). The each PPMgLT crystal was mounted on the copper holder, and the temperature control of the each holder was carried out within 0.01 K. The wavelength feedback system of the Nd:YAG seed laser is performed with the side locking of the iodine absorption spectrum (line No.1107) and the frequency stability is realized within 10 MHz rms. Stabilization of the 1.6μm DFB seed laser is estimated to within 4 MHz rms at the CO2 absorption line center and within 1.8 MHz rms at the CO2 absorption line slope using the wavelength control unit. We demonstrated single-longitudinal-mode emission with the OPG and two OPAs. The beam quality was TEM00 mode, the pulse energy was 12 mJ at 500 Hz repetition rate and the frequency stability was less than 10MHz rms. The unique performances of this optical parametric system make a relevant transmitter for CO2 DIAL. This work was financially supported by the System Development Program for Advanced Measurement and Analysis

Structure of Na2O·MO·SiO2·CaF2 (M=Mg, Ca) oxyfluoride glasses

International Nuclear Information System (INIS)

Cheng Jinshu; Deng Wei; Wang Mitang

2012-01-01

(9-x)CaO·xMgO·15Na 2 O·60SiO 2 ·16CaF 2 (x=0, 2, 4, 6, and 9) oxyfluoride glasses were prepared. Utilizing the Raman scattering technique together with 29 Si and 19 F MAS NMR, the effect of alkaline metal oxides on the Q species of glass was characterized. Raman results show that as magnesia is added at the expense of calcium oxide, the disproportional reaction Q 3 →Q 4 +Q 2 (Q n is a SiO 4 tetrahedron with n bridging oxygens) prompted due to the high ionic field strength of magnesia, magnesium oxide entered into the silicate network as tetrahedral MgO 4 , and removed other modifying ions for charge compensation. This reaction was confirmed by 29 Si MAS NMR. 19 F MAS NMR results show that fluorine exists in the form of mixed calcium sodium fluoride species in all glasses and no Si-F bonds were formed. As CaO is gradually replaced by MgO (x=6, 9), a proportion of the magnesium ions combines with fluorine to form the MgF + species. Meanwhile, some part of Na + ions complex F - in the form of F-Na(6).

Homoleptic Diphosphacyclobutadiene Complexes [M(η4-P2C2R2)2]x- (M=Fe, Co; x=0, 1)

NARCIS (Netherlands)

Wolf, Robert; Ehlers, A.W.; Khusniyarov, M.M.; Hartl, F.; de Bruin, B.; Long, G.J.; Grandjean, F.; Schappacher, F.M.; Pöttgen, R.; Slootweg, J.C.; Lutz, M.; Spek, A.L.; Lammertsma, K.

2011-01-01

The preparation and comprehensive characterization of a series of homoleptic sandwich complexes containing diphosphacyclobutadiene ligands are reported. Compounds [K([18]crown-6)ACHTUNGTRENUNG(thf)2][Fe(η4- P2C2tBu2)2] (K1), [K([18]crown-6)- ACHTUNGTRENUNG(thf)2][Co(h4-P2C2tBu2)2] (K2), and

Homoleptic Diphosphacyclobutadiene Complexes [M(η(4)-P2C2R2)(2]x- (M = Fe, Co; x=0, 1)

NARCIS (Netherlands)

Wolf, R.; Ehlers, A.W.; Khusniyarov, M.M.; Hartl, F.; de Bruin, B.; Long, G.J.; Grandjean, F.; Schappacher, F.M.; Pöttgen, R.; Slootweg, J.C.; Lutz, M.; Spek, A.L.; Lammertsma, K.

2010-01-01

The preparation and comprehensive characterization of a series of homoleptic sandwich complexes containing diphosphacyclobutadiene ligands are reported. Compounds [K([18]crown-6)(thf)(2)[Fe(η(4)-P(2)C(2)tBu(2))(2)] (K1), [K([18]crown-6)(thf)(2)][Co(η(4)-P(2)C(2)tBu(2))(2)] (K2), and

Excitation of the 4.3-μm bands of CO2 by low-energy electrons

International Nuclear Information System (INIS)

Bulos, R.R.; Phelps, A.V.

1976-01-01

Rate coefficients for the excitation of the 4.3-μm bands of CO 2 by low-energy electrons in CO 2 have been measured using a drift-tube technique. The CO 2 density [(1.5 to 7) x 10 17 molecules/cm 3 ] was chosen to maximize the radiation reaching the detector. Line-by-line transmission calculations were used to take into account the absorption of 4.3-μm radiation. A small fraction of the approximately 10 -8 W of the 4.3-μm radiation produced by the approximately 10 -7 -A electron current was incident on an InSb photovoltaic detector. The detector calibration and absorption calculations were checked by measuring the readily calculated excitation coefficients for vibrational excitation of N 2 containing a small concentration of CO 2 . For pure CO 2 the number of molecules capable of emitting 4.3-μm radiation produced per cm of electron drift and per CO 2 molecule varied from 10 -17 cm -2 at E/N = 6 x 10 -17 V cm 2 to 5.4 x 10 -16 cm -2 at E/N = 4 x 10 -16 V cm 2 . Here E is the electric field and N is total gas density. The excitation coefficients at lower E/N are much larger than estimated previously. A set of vibrational excitation cross sections is obtained for CO 2 which is consistent with the excitation coefficient data and with most of the published electron-beam data

Structural, elastic and electronic properties of C14-type Al{sub 2}M (M=Mg, Ca, Sr and Ba) Laves phases

Energy Technology Data Exchange (ETDEWEB)

Lishi, Ma; Yonghua, Duan, E-mail: duanyh@kmust.edu.cn; Runyue, Li

2017-02-15

The structural and mechanical properties, Debye temperatures and anisotropic sound velocities of the Laves phases Al{sub 2}M (M=Mg, Ca, Sr and Ba) with C14-type structure were investigated using the first-principles corresponding calculations. The corresponding calculated structural parameters and formation enthalpies are in good agreement with the available theoretical values, and Al{sub 2}Ca has the best phase stability. The mechanical properties, including elastic constants, bulk modulus B, shear modulus G, Young’s modulus E, and Poisson ratio ν, were deduced within the Voigt-Reuss-Hill approximation. The brittleness and ductility were estimated by the values of Poisson ratio, B/G and Cauchy pressure. Moreover, the elastic anisotropy was investigated by calculating and discussing several anisotropy indexes. Finally, the electronic structures were used to illustrate the bonding characteristics of C14-Al{sub 2}M (M=Mg, Ca, Sr and Ba) phases.

Mild hydrothermal synthesis, crystal structure, spectroscopic and magnetic properties of the [MxIIM2.5-xIII(H2O)2(HPIIIO3)y(PVO4)2-yF] [M=Fe, x=2.08, y=1.58; M=Co, Ni, x=2.5, y=2] compounds

International Nuclear Information System (INIS)

Orive, Joseba; Mesa, Jose L.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, Maria I.; Rojo, Teofilo

2009-01-01

The [M x II M 2.5-x III (H 2 O) 2 (HP III O 3 ) y (P V O 4 ) 2-y F] [M=Fe (1), x=2.08, y=1.58; M=Co (2), x=2.5, y=2; Ni (3), x=2.5, y=2] compounds have been synthesized using mild hydrothermal conditions at 170 deg. C during five days. Single-crystals of (1) and (2), and polycrystalline sample of (3) were obtained. These isostructural compounds crystallize in the orthorhombic system, space group Aba2, with a=9.9598(2), b=18.8149(4) and c=8.5751(2) A for (1), a=9.9142(7), b=18.570(1) and c=8.4920(5) A for (2) and a=9.8038(2), b=18.2453(2) and c=8.4106(1) A for (3), with Z=8 in the three phases. An X-ray diffraction study reveals that the crystal structure is composed of a three-dimensional skeleton formed by [MO 5 F] and [MO 4 F 2 ] (M=Fe, Co and Ni) octahedra and [HPO 3 ] tetrahedra, partially substituted by [PO 4 ] tetrahedra in phase (1). The IR spectra show the vibrational modes of the water molecules and those of the (HPO 3 ) 2- tetrahedral oxoanions. The thermal study indicates that the limit of thermal stability of these phases is 195 deg. C for (1) and 315 deg. C for (2) and (3). The electronic absorption spectroscopy shows the characteristic bands of the Fe(II), Co(II) and Ni(II) high-spin cations in slightly distorted octahedral geometry. Magnetic measurements indicate the existence of global antiferromagnetic interactions between the metallic centers with a ferromagnetic transition in the three compounds at 28, 14 and 21 K for (1), (2) and (3), respectively. Compound (1) exhibits a hysteresis loop with remnant magnetization and coercive field values of 0.72 emu/mol and 880 Oe, respectively. - Abstract: Polyhedral view of the crystal structure of the [M x II M 2.5-x III (H 2 O) 2 (HP III O 3 ) y (P IV O 4 ) 2-y F] [M=Fe, x=2.08, y=1.58; M=Co, Ni, x=2.5, y=2] compounds showing the sheets along the [001] direction.

Strain and Ferroelectric-Field Effects Co-mediated Magnetism in (011)-CoFe2O4/Pb(Mg1/3Nb2/3)0.7Ti0.3O3Multiferroic Heterostructures

KAUST Repository

Wang, Ping; Jin, Chao; Zheng, Dongxing; Li, Dong; Gong, Junlu; Li, Peng; Bai, Haili

2016-01-01

Electric-field mediated magnetism was investigated in CoFe2O4 (CFO, deposited by reactive cosputtering under different Oxygen flow rates) films fabricated on (011)-Pb(Mg1/3Nb2/3)(0.7)Ti0.3O3 (PMN-PT) substrates. Ascribed to the volatile strain

Advances in Geological CO{sub 2} Sequestration and Co-Sequestration with O{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Verba, Circe A; O& #x27; Connor, William K.; Ideker, J.H.

2012-10-28

The injection of CO{sub 2} for Enhanced Oil Recovery (EOR) and sequestration in brine-bearing formations for long term storage has been in practice or under investigation in many locations globally. This study focused on the assessment of cement wellbore seal integrity in CO{sub 2}- and CO{sub 2}-O{sub 2}-saturated brine and supercritical CO{sub 2} environments. Brine chemistries (NaCl, MgCl{sub 2}, CaCl{sub 2}) at various saline concentrations were investigated at a pressure of 28.9 MPa (4200 psi) at both 50{degree}C and 85{degree}C. These parameters were selected to simulate downhole conditions at several potential CO{sub 2} injection sites in the United States. Class H portland cement is not thermodynamically stable under these conditions and the formation of carbonic acid degrades the cement. Dissociation occurs and leaches cations, forming a CaCO{sub 3} buffered zone, amorphous silica, and other secondary minerals. Increased temperature affected the structure of C-S-H and the hydration of the cement leading to higher degradation rates.

Nano-structure formation of Fe-Pt perpendicular magnetic recording media co-deposited with MgO, Al2O3 and SiO2 additives

International Nuclear Information System (INIS)

Safran, G.; Suzuki, T.; Ouchi, K.; Barna, P.B.; Radnoczi, G.

2006-01-01

Perpendicular magnetic recording media samples were prepared by sputter deposition on sapphire with a layer sequence of MgO seed-layer/Cr under-layer/FeSi soft magnetic under-layer/MgO intermediate layer/FePt-oxide recording layer. The effects of MgO, Al 2 O 3 and SiO 2 additives on the morphology and orientation of the FePt layer were investigated by transmission electron microscopy. The samples exhibited (001) orientation of the L1 FePt phase with the mutual orientations of sapphire substrate//MgO(100)[001]//Cr(100)[11-bar0]//FeSi(100)[11-bar0]//MgO(100) [001]//FePt(001)[100]. The morphology of the FePt films varied due to the co-deposited oxides: The FePt layers were continuous and segmented by stacking faults aligned at 54 o to the surface. Films with SiO 2 addition, beside the oriented columnar FePt grains, exhibited a fraction of misoriented crystallites due to random repeated nucleation. Al 2 O 3 addition resulted in a layered structure, i.e. an initial continuous epitaxial FePt layer covered by a secondary layer of FePt-Al 2 O 3 composite. Both components (FePt and MgO) of the MgO-added samples were grown epitaxially on the MgO intermediate layer, so that a nano-composite of intercalated (001) FePt and (001) MgO was formed. The revealed microstructures and formation mechanisms may facilitate the improvement of the structural and magnetic properties of the FePt-oxide composite perpendicular magnetic recording media

Structural features of AgCaCdMg2(PO4)3 and AgCd2Mg2(PO4)3, two new compounds with the alluaudite-type structure, and their catalytic activity in butan-2-ol conversion

International Nuclear Information System (INIS)

Kacimi, Mohammed; Ziyad, Mahfoud; Hatert, Frederic

2005-01-01

AgCaCdMg 2 (PO 4 ) 3 and AgCd 2 Mg 2 (PO 4 ) 3 , two new compounds with the alluaudite-type structure, were synthesized by a solid state reaction in air at 750 deg. C. The X-ray powder diffraction pattern of AgCaCdMg 2 (PO 4 ) 3 indicates the presence of small amounts of (Ca, Mg) 3 (PO 4 ) 2 with the whitlockite structure, as impurity, whereas AgCd 2 Mg 2 (PO 4 ) 3 is constituted by pure alluaudite. The Rietveld refinements of the X-ray powder diffraction patterns indicate an ordered cationic distribution for AgCd 2 Mg 2 (PO 4 ) 3 , with Ag on A(2)', Cd on A(1) and M(1), and Mg on M(2), whereas a disordered distribution of Cd and Ca between the A(1) and M(1) sites is observed for AgCaCdMg 2 (PO 4 ) 3 . The catalytic properties of these compounds has been measured in reaction of butan-2-ol dehydrogenation. In the absence of oxygen, both samples exhibit poor dehydrogenation activity. All samples displayed no dehydration activity. Introduction of oxygen into the feed changed totally the catalytic behavior of the catalysts. The production of methyl ethyl ketone increases with time on stream and the reaction temperature. AgCaCdMg 2 (PO 4 ) 3 is more efficient than AgCd 2 Mg 2 (PO 4 ) 3

The microstructures and electrochemical performances of La0.6Gd0.2Mg0.2Ni3.0Co0.5-xAlx (x=0-0.5) hydrogen storage alloys as negative electrodes for nickel/metal hydride secondary batteries

Science.gov (United States)

Li, Rongfeng; Xu, Peizhen; Zhao, Yamin; Wan, Jing; Liu, Xiaofang; Yu, Ronghai

2014-12-01

La0.6Gd0.2Mg0.2Ni3.0Co0.5-xAlx (x = 0-0.5) hydrogen storage alloys were prepared by induction melting followed by annealing treatment at 1173 K for 8 h. The effects of substitution Al for Co on the microstructures and electrochemical performances were studied systematically. The structure analyses show that all alloys consist of multiphase structures such as (La, Mg)2Ni7 phase, (La, Mg) Ni3 phase and LaNi5 phase. The abundance of (La, Mg)2Ni7 phase decreases while the abundance of LaNi5 phase and (La, Mg)Ni3 phase increases directly as the Al content increasing. The electrochemical tests show that the maximum discharge capacity of alloy electrodes are almost unchanged when x ≤ 0.2 while the cyclic stability of the alloy electrode are improved significantly after proper amount of Al substitution for Co. The alloy electrode with x = 0.1 exhibits the better balance between discharge capacity and cycling life than any others. Moreover, at the discharge current density of 900 mA g-1, the high rate dischargeability (HRD) of the alloy electrodes decreases with increasing Al substitution and the relative analyses reveal that the charge transfer on alloy surface is more important than the hydrogen diffusion in alloy bulk for the kinetic properties of the alloy electrodes.

Fracture toughness of MgCr2O4-ZrO2 composities

International Nuclear Information System (INIS)

Singh, J.P.

1985-01-01

The effect of unstabilized ZrO 2 inclusions on the fracture surface energy of MgCr 2 O 4 was studied as a function of ZrO 2 content. It was observed that fracture surface energy increases with increasing ZrO 2 content, and reaches the maximum value of 24.5 j/m 2 at 16.5 vol% ZrO 2 . This represents an approx. = fourhold increase in the fracture surface energy of Mg 2 O 4 as a result of ZrO 2 inclusions. It is proposed that this improvement results from the energy absorbed by the microcracks formed in the MgCr 2 O 4 matrix as a result of the tetragonal → monoclinic phase transormation of ZrO 2 and the associated volume expansion

Solubility of NpO2 in Na2CO3 solutions

International Nuclear Information System (INIS)

Joe, Kih Soo; Yang, Han Beom; Lee, Eil Hee; Kim, Kwang Wook

2010-03-01

Solubilities of NpO 2 were measured in 0.1 M Na 2 CO 3 (pH 11.25) and 0.1 M Na 2 CO 3 -0.5M H 2 O 2 (pH 11.25), respectively, for two weeks. Three detection methods such as gas proportional counting (GPC), liquid scintillation counting (LSC) and ICP-MS were used for the measurement of dissolved NpO 2 in the solutions and the results by different methods were compared with each other. The solubility of NpO 2 increased as the contact time increased and those after 2 weeks showed 4.4 x 10 -9 M in 0.10 M Na 2 CO 3 (pH 11.25) and 2.4 x 10 -8 M in 0.10 M Na 2 CO 3 -0.5M H 2 O 2 (pH 11.25), respectively

Multi-core MgO NPs(at)C core-shell nanospheres for selective CO2 capture under mild conditions

International Nuclear Information System (INIS)

Tae Kyung Kim; Kyung Joo Lee; Hoi Ri Moon; Junhan Yuh; Sang Kyu Kwak

2014-01-01

The core-shell structures have attracted attention in catalysis, because the outer shells isolate the catalytically active NP cores and prevent the possibility of sintering of core particles during catalytic reaction under physically and chemically harsh conditions. We aimed to adopt this core-shell system for CO 2 sorption materials. In this study, a composite material of multi-core 3 nm-sized magnesium oxide nanoparticles embedded in porous carbon nanospheres (MgO NPs(at)C) was synthesized by a gas phase reaction via a solvent-free process. It showed selective CO 2 adsorption capacity over N 2 under mild regeneration conditions. (authors)

Oxidative Addition Reactions of I2 with [HIr4(CO10-n(PPh3 n(m-PPh2] (n = 1 and 2 and Crystal and Molecular Structure of [HIr4(m-I2(CO7 (PPh3(m-PPh2

Directory of Open Access Journals (Sweden)

Braga Dario

2002-01-01

Full Text Available The reactions of the cluster compounds [HIr4(CO10-n(PPh3 n(mu-PPh2] [n = 0, (1; 1, (2 and 2, (3] with I2 have been investigated. Compound 1 does not react, however, the presence of PPh3 in place of CO ligand(s activates the cluster. Both compounds 2 and 3 react with I2 under mild conditions to give [HIr4(mu-I2(CO7(PPh3(mu-PPh 2] (4, as the result of oxidative addition of I2 and dissociation of two CO ligands, or one CO and one PPh3 ligands, respectively. The molecular structure of 4, determined by an X-ray diffraction study, exhibits a butterfly arrangement of iridium atoms with the wings spanned by a mu-PPh2 ligand, the hinge bridged by a mu-H ligand, two hinge to wing tip edges bridged by iodine atoms and all metal atoms bearing two CO ligands, with the exception of one of the hinge atoms that contains a CO and a PPh3 ligands. This cluster exhibits the shortest average Irfraction three-quartersIr bond length [2.698(2 Å] observed so far for a derivative of 1 and this is in accord with the relatively high average oxidation state of its metal atoms (+1 for a carbonyl cluster compound.

Electrochemical hydrogen-storage properties of La{sub 0.78}Mg{sub 0.22}Ni{sub 2.67}Mn{sub 0.11}Al{sub 0.11}Co{sub 0.52}-M1Ni{sub 3.5}Co{sub 0.6}Mn{sub 0.4}Al{sub 0.}-5 composites

Energy Technology Data Exchange (ETDEWEB)

Huang, Hongxia, E-mail: hhxhunan@126.com [Key Lab of New Processing Technology for Nonferrous Metals and Materials Ministry of Education, Guilin University of Technology, Guilin (China); Li, Guohui [Guangxi Scientific Experiment Center of Mining, Metallurgy and Environment, College of Chemistry and Bioengineering, Guilin University of Technology, Guilin (China); Zhuang, Shuxin [School of Material Science and engineering, Xiamen University of Technology, Xiamen (China)

2013-07-15

For improving the electrochemical properties of nonstoichiometric AB{sub 3} -type La{sub 0.7}8Mg{sub 0.22}Ni{sub 2.67}Mn{sub 0.11}Al{sub 0.11}Co{sub 0.52} alloy as negative electrode of Ni-MH battery, its related composites La{sub 0.78}Mg{sub 0.22}Ni{sub 2.67}Mn{sub 0.11}Al{sub 0.11}Co{sub 0.52}-x wt.% M1Ni{sub 3.5}Co{sub 0.6}Mn{sub 0.4}Al{sub 0.5} (x = 0, 10, 20, 30) were prepared. Analysis by X-ray diffractometry (XRD) revealed that the composites consist mainly of LaNi{sub 5} and La{sub 2}Ni{sub 7} phases. Despite the small decrease in the maximum discharge capacity, the cycle performance was significantly enhanced. Linear polarization (LP), anodic polarization (AP) and potential step discharge experiments revealed that the electrochemical kinetics increases first and then decreases with increasing x. (author)

Effects of inorganic acids and divalent hydrated metal cations (Mg(2+), Ca(2+), Co(2+), Ni(2+)) on γ-AlOOH sol-gel process.

Science.gov (United States)

Zhang, Jian; Xia, Yuguo; Zhang, Li; Chen, Dairong; Jiao, Xiuling

2015-11-07

In-depth understanding of the sol-gel process plays an essential role in guiding the preparation of new materials. Herein, the effects of different inorganic acids (HCl, HNO3 and H2SO4) and divalent hydrated metal cations (Mg(2+), Ca(2+), Co(2+), Ni(2+)) on γ-AlOOH sol-gel process were studied based on experiments and density functional theory (DFT) calculations. In these experiments, the sol originating from the γ-AlOOH suspension was formed only with the addition of HCl and HNO3, but not with H2SO4. Furthermore, the DFT calculations showed that the strong adsorption of HSO4(-) on the surface of the γ-AlOOH particles, and the hydrogen in HSO4(-) pointing towards the solvent lead to an unstable configuration of electric double layer (EDL). In the experiment, the gelation time sequence of γ-AlOOH sol obtained by adding metal ions changed when the ionic strength was equal to or greater than 0.198 mol kg(-1). The DFT calculations demonstrated that the adsorption energy of hydrated metal ions on the γ-AlOOH surface can actually make a difference in the sol-gel process.

Synthesis of pigments of Fe2O3·SiO2 system, with Ca, Mg, or Co oxide additions

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Tsvetan Dimitrov

2017-03-01

Full Text Available The present research work is based on the comparative evaluation of the Ca, Mg, and Co dopant impact on the properties of new ceramic pigments from the system Fe2O3·SiO2 obtained via classical ceramic technology. This approach enabled determination of the optimal temperature for the synthesis and the most appropriate mineralizer. The obtained specimens were submitted to systematical analysis, including X-ray Diffraction (XRD spectroscopy, Electron Paramagnetic Resonance (EPR analysis and Mössbauer spectroscopy for crystalline phase determination. The color characteristics are quantified by spectrophotometric measurements. The pigments particle size has been determined by Scanning Electron Microscopy (SEM, combined by Energy Dispersion X-ray spectroscopy (EDX. The obtained results enabled to determine the correlation between the calcination temperature and the phase compositions of the obtained pigments. In addition, some interesting magnetic properties were detected for the Co-doped composition.

Synthesis of pigments of Fe2O3·SiO2 system, with Ca, Mg, or Co oxide additions

Energy Technology Data Exchange (ETDEWEB)

Dimitrov, T.; Kozhukharov, S.; Velinov, N.

2017-07-01

The present research work is based on the comparative evaluation of the Ca, Mg, and Co dopant impact on the properties of new ceramic pigments from the system Fe2O3·SiO2 obtained via classical ceramic technology. This approach enabled determination of the optimal temperature for the synthesis and the most appropriate mineralizer. The obtained specimens were submitted to systematical analysis, including X-ray Diffraction (XRD) spectroscopy, Electron Paramagnetic Resonance (EPR) analysis and Mössbauer spectroscopy for crystalline phase determination. The color characteristics are quantified by spectrophotometric measurements. The pigments particle size has been determined by Scanning Electron Microscopy (SEM), combined by Energy Dispersion X-ray spectroscopy (EDX). The obtained results enabled to determine the correlation between the calcination temperature and the phase compositions of the obtained pigments. In addition, some interesting magnetic properties were detected for the Co-doped composition. (Author)

CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

Science.gov (United States)

Duan, Yuhua; Sorescu, Dan C

2010-08-21

By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents.

Increasing brain serotonin corrects CO2 chemosensitivity in methyl-CpG-binding protein 2 (Mecp2)-deficient mice

Science.gov (United States)

Toward, Marie A.; Abdala, Ana P.; Knopp, Sharon J.; Paton, Julian F. R.; Bissonnette, John M.

2013-01-01

Mice deficient in the transcription factor methyl-CpG-binding protein 2 (Mecp2), a mouse model of Rett syndrome, display reduced CO2 chemosensitivity, which may contribute to their breathing abnormalities. In addition, patients with Rett syndrome and male mice that are null for Mecp2 show reduced levels of brain serotonin (5-HT). Serotonin is known to play a role in central chemosensitivity, and we hypothesized that increasing the availability of 5-HT in this mouse model would improve their respiratory response to CO2. Here we determined the apnoeic threshold in heterozygous Mecp2-deficient female mice and examined the effects of blocking 5-HT reuptake on the CO2 response in Mecp2-null male mice. Studies were performed in B6.129P2(C)-Mecp2τm1.1Bird null males and heterozygous females. In an in situ preparation, seven of eight Mecp2-deficient heterozygous females showed arrest of phrenic nerve activity when arterial CO2 was lowered to 3%, whereas the wild-types maintained phrenic nerve amplitude at 53 ± 3% of maximal. In vivo plethysmography studies were used to determine CO2 chemosensitivity in null males. These mice were exposed sequentially to 1, 3 and 5% CO2. The percentage increase in minute ventilation in response to increased inspired CO2 was less in Mecp2−/y than in Mecp2+/y mice. Pretreatment with citalopram, a selective 5-HT reuptake inhibitor (2.5 mg kg−1 I.P.), 40 min prior to CO2 exposure, in Mecp2−/y mice resulted in an improvement in CO2 chemosensitivity to wild-type levels. These results suggest that decreased 5-HT in Mecp2-deficient mice reduces CO2 chemosensitivity, and restoring 5-HT levels can reverse this effect. PMID:23180809

Relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn: Consistent parameterization and prediction of Seebeck coefficients

Science.gov (United States)

Shi, Guangsha; Kioupakis, Emmanouil

2018-02-01

We apply density functional and many-body perturbation theory calculations to consistently determine and parameterize the relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn, and predict the Seebeck coefficient as a function of doping and temperature. The quasiparticle band gaps, including spin-orbit coupling effects, are determined to be 0.728 eV, 0.555 eV, and 0.142 eV for Mg2Si, Mg2Ge, and Mg2Sn, respectively. The inclusion of the semicore electrons of Mg, Ge, and Sn in the valence is found to be important for the accurate determination of the band gaps of Mg2Ge and Mg2Sn. We also developed a Luttinger-Kohn Hamiltonian and determined a set of band parameters to model the near-edge relativistic quasiparticle band structure consistently for all three compounds that can be applied for thermoelectric device simulations. Our calculated values for the Seebeck coefficient of all three compounds are in good agreement with the available experimental data for a broad range of temperatures and carrier concentrations. Our results indicate that quasiparticle corrections are necessary for the accurate determination of Seebeck coefficients at high temperatures at which bipolar transport becomes important.

Investigation of Catalytic Effects and Compositional Variations in Desorption Characteristics of LiNH2-nanoMgH2

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Sesha S. Srinivasan

2017-07-01

Full Text Available LiNH2 and a pre-processed nanoMgH2 with 1:1 and 2:1 molar ratios were mechano-chemically milled in a high-energy planetary ball mill under inert atmosphere, and at room temperature and atmospheric pressure. Based on the thermogravimetric analysis (TGA experiments, 2LiNH2-nanoMgH2 demonstrated superior desorption characteristics when compared to the LiNH2-nanoMgH2. The TGA studies also revealed that doping 2LiNH2-nanoMgH2 base material with 2 wt. % nanoNi catalyst enhances the sorption kinetics at lower temperatures. Additional investigation of different catalysts showed improved reaction kinetics (weight percentage of H2 released per minute of the order TiF3 > nanoNi > nanoTi > nanoCo > nanoFe > multiwall carbon nanotube (MWCNT, and reduction in the on-set decomposition temperatures of the order nanoCo > TiF3 > nanoTi > nanoFe > nanoNi > MWCNT for the base material 2LiNH2-nanoMgH2. Pristine and catalyst-doped 2LiNH2-nanoMgH2 samples were further probed by X-ray diffraction, Fourier transform infrared spectroscopy, transmission and scanning electron microscopies, thermal programmed desorption and pressure-composition-temperature measurements to better understand the improved performance of the catalyst-doped samples, and the results are discussed.

Re-evaluation of microscopic and integral cross-section data for important dosimetry reactions. Re-evaluation of the excitation functions for the 24Mg(n,p)24Na, 32S(n,p)32P, 60Ni(n,p)60m+gCo, 63Cu(n,2n)62Cu, 65Cu(n,2n)64Cu, 64Zn(n,p)64Cu, 115In(n,2n)114mIn, 127I(n,2n)126I, 197Au(n,2n)196Au and 199Hg(n,n')199mHg reactions

International Nuclear Information System (INIS)

Zolotarev, K.I.

2008-08-01

Re-evaluations of cross sections and their associated covariance matrices have been carried out for ten dosimetry reactions: - excitation functions for the 63 Cu(n,2n) 62 Cu, 65 Cu(n,2n) 64 Cu, 64 Zn(n,p) 64 Cu, 115 In(n,2n) 114m In and 199 Hg(n,n') 199m Hg reactions were re-evaluated over the neutron energy range from threshold to 20 MeV; - excitation functions for the 24 Mg(n,p) 24 Na, 32 S(n,p) 32 P and 60 Ni(n,p) 60m+g Co were reevaluated in the energy range from threshold to 21 MeV; - excitation functions for the 127 I(n,2n) 126 I and 197 Au(n,2n) 196 Au reactions were reevaluated in the energy range from threshold to 32 and 40 MeV, respectively. Benchmark calculations performed for 235 U thermal fission and 252 Cf spontaneous fission neutron spectra show that the integral cross sections derived from the newly evaluated excitation functions exhibit improved agreement with related experimental data when compared with the equivalent data from the IRDF-2002 library. (author)

Land use and rainfall effect on soil CO2 fluxes in a Mediterranean agroforestry system

Science.gov (United States)

Quijano, Laura; Álvaro-Fuentes, Jorge; Lizaga, Iván; Navas, Ana

2017-04-01

Soils are the largest C reservoir of terrestrial ecosystems and play an important role in regulating the concentration of CO2 in the atmosphere. The exchange of CO2 between the atmosphere and soil controls the balance of C in soils. The CO2 fluxes may be influenced by climate conditions and land use and cover change especially in the upper soil organic layer. Understanding C dynamics is important for maintaining C stocks to sustain and improve soil quality and to enhance sink C capacity of soils. This study focuses on the response of the CO2 emitted to rainfall events from different land uses (i.e. forest, abandoned cultivated soils and winter cereal cultivated soils) in a representative Mediterranean agroforestry ecosystem in the central part of the Ebro basin, NE Spain (30T 4698723N 646424E). A total of 30 measurement points with the same soil type (classified as Calcisols) were selected. Soil CO2 flux was measured in situ using a portable EGM-4 CO2 analyzer PPSystems connected to a dynamic chamber system (model CFX-1, PPSystems) weekly during autumn 2016. Eleven different rainfall events were measured at least 24 hours before (n=7) and after the rainfall event (n=4). Soil water content and temperature were measured at each sampling point within the first 5 cm. Soil samples were taken at the beginning of the experiment to determine soil organic carbon (SOC) content using a LECO RC-612. The mean SOC for forest, abandoned and cultivated soils were 2.5, 2.7 and 0.6 %, respectively. The results indicated differences in soil CO2 fluxes between land uses. The field measurements of CO2 flux show that before cereal sowing the highest values were recorded in the abandoned soils varying from 56.1 to 171.9 mg CO2-C m-2 h-1 whereas after cereal sowing the highest values were recorded in cultivated soils ranged between 37.8 and 116.2 mg CO2-C m-2 h-1 indicating the agricultural impact on CO2 fluxes. In cultivated soils, lower mean CO2 fluxes were measured after direct seeding

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.

Effect of ZnCl{sub 2} activation on CO{sub 2} adsorption of N-doped nanoporous carbons from polypyrrole

Energy Technology Data Exchange (ETDEWEB)

Meng, Long-Yue [Department of Chemical Engineering, Yanbian University, Yanji 133002 (China); Department of Chemistry, Inha University, 253 Nam-gu, Incheon 402-751 (Korea, Republic of); Park, Soo-Jin, E-mail: sjpark@inha.ac.kr [Department of Chemistry, Inha University, 253 Nam-gu, Incheon 402-751 (Korea, Republic of)

2014-10-15

In this study, N-doping nanoporous carbons (NNCs) were prepared from polypyrrole (PPY) by ZnCl{sub 2} activation. The activation process was carried out under set conditions (PPY/ZnCl{sub 2}=1/4) at 300–800 °C for 2 h. With increasing activation temperature, the specific surface area and total pore volume of the NNCs increased significantly from 539 m{sup 2}/g (300 °C) to 1268 m{sup 2}/g (700 °C) and from 0.245 cm{sup 3}/g (300 °C) to 0.561 cm{sup 3}/g (700 °C), respectively. In addition, the use of PPY carbon precursors allowed the integration of high N content (9.28 wt%) and resulted in a large narrow micropore distribution (<1 nm) in the prepared NNCs. The CO{sub 2} adsorption isotherms showed that PZ-600 exhibited the best CO{sub 2} adsorption capacity of 167 mg/g at 1 bar and 25 °C when the activation temperature was 600 °C. - Graphical abstract: CO{sub 2}/298 K adsorption/desorption isotherms of the N-enriched porous carbons. - Highlights: • N-doping nanoporous carbons were prepared from polypyrrole by ZnCl{sub 2} activation. • Through ZnCl{sub 2} activation, the specific surface area and total pore volume increased. • PZ-600 exhibited the best CO{sub 2} adsorption capacity of 167 mg/g at 1 bar and 25 °C.

Magnetic ordering in Sc{sub 2}CoSi{sub 2}-type R{sub 2}FeSi{sub 2} (R=Gd, Tb) and R{sub 2}CoSi{sub 2} (R=Y, Gd–Er) compounds

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Pani, M. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, C. Perrone 24, 16152 Genova (Italy); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

2016-09-01

Magnetic and magnetocaloric properties of Sc{sub 2}CoSi{sub 2}-type R{sub 2}TSi{sub 2} (R=Gd–Er, T=Fe, Co) compounds have been studied using magnetization data. These indicate the presence of mixed ferromagnetic and antiferromagnetic interactions in these compounds. One observes a ferromagnetic transition followed by an antiferromagnetic order and a further possible spin-reorientation transition at low temperatures. Compared to Gd{sub 2}{Fe, Co}Si{sub 2}, the Tb{sub 2}FeSi{sub 2} and {Tb–Er}{sub 2}CoSi{sub 2} compounds exhibit remarkable hysteresis (for e.g. Tb{sub 2}FeSi{sub 2} shows residual magnetization M{sub res}/Tb=2.45 μ{sub B}, coercive field H{sub coer}=14.9 kOe, and critical field H{sub crit}~5 kOe at 5 K) possibly due to the magnetocrystalline anisotropy of the rare earth. The R{sub 2}{Fe, Co}Si{sub 2} show relatively small magnetocaloric effect (i.e. isothermal magnetic entropy change, ΔS{sub m}) around the magnetic transition temperature: the maximal value of MCE is demonstrated by Ho{sub 2}CoSi{sub 2} (ΔS{sub m}=−8.1 J/kg K at 72 K and ΔS{sub m}=−9.4 J/kg K at 23 K in field change of 50 kOe) and Er{sub 2}CoSi{sub 2} (ΔS{sub m}=−13.6 J/kg K at 32 K and ΔS{sub m}=−8.4 J/kg K at 12 K in field change of 50 kOe). - Highlights: • {Gd–Er}{sub 2}{Fe, Co}Si{sub 2} show high-temperature ferromagnetic-type transitions. • {Gd–Er}{sub 2}{Fe, Co}Si{sub 2} show low-temperature spin-reorientation transitions. • Tb{sub 2}FeSi{sub 2} and {Tb–Er}{sub 2}CoSi{sub 2} compounds exhibit low-temperature hysteresis. • Tb{sub 2}FeSi{sub 2} shows M{sub res}/Tb=2.45 μ{sub B}, H{sub coer}=14.9 kOe and H{sub crit} ~5 kOe at 5 K • Considerable magnetocaloric effect is exhibited by Ho{sub 2}CoSi{sub 2} and Er{sub 2}CoSi{sub 2}.

Preparation and electrochemical properties of La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 (x = 0, 0.30, 0.33, 0.36, 0.39) hydrogen storage alloys

International Nuclear Information System (INIS)

Tian, Xiao; Wei, Wei; Duan, Ruxia; Zheng, Xinyao; Zhang, Huaiwei; Tegus, O.; Li, Xingguo

2016-01-01

The as-cast alloy with the composition of La_0_._7_0Ni_2_._4_5Co_0_._7_5Al_0_._3_0 was prepared by vacuum arc melting. La–Mg–Ni-based La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 hydrogen storage alloy has been synthesized by high-energy vibratory milling blending of the La_0_._7_0Ni_2_._4_5Co_0_._7_5Al_0_._3_0 as-cast alloy and elemental Mg, followed by an isothermal annealing. The microstructures and electrochemical properties of the La_0_._7_0Ni_2_._4_5Co_0_._7_5Al_0_._3_0 and La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 alloys were investigated by XRD, SEM and electrochemical measurements. The XRD analysis and Rietveld refinement showed that the as-cast La_0_._7_0Ni_2_._4_5Co_0_._7_5Al_0_._3_0 alloy consists of single LaNi_5 phase, whereas the La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 alloys contain the LaNi_5 and (La, Mg)_2Ni_7. The electrochemical measurements indicated that the maximum discharge capacity and discharge potential characteristic of the La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 alloys increases first and then decreases with increasing x. The maximum discharge capacity and discharge potential characteristic of alloy reaches the optimum when x is 0.36. The cyclic stability of the La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 alloy with a smaller quantity of Mg is better than that of the alloy with a larger quantity of Mg. - Highlights: • La–Mg–Ni-based alloy was synthesized by melting, milling and subsequent annealing. • Mg atoms exist in the La_2Ni_7 phase prior to LaNi_5 phase. • The La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 alloys consist of the LaNi_5 and (La, Mg)_2Ni_7. • The more Mg element the alloys contain, the easier aggregation Mg atom is. • The C_m_a_x of La_0_._7_0Mg_xNi_2_._4_5Co_0_._7_5Al_0_._3_0 alloy first increases and then decreases with rising x.

Analysis of (Ba,Ca,Sr){sub 3}MgSi{sub 2}O{sub 8}:Eu{sup 2+}, Mn{sup 2+} phosphors for application in solid state lighting

Energy Technology Data Exchange (ETDEWEB)

Han, J.K. [University of California, San Diego, Materials Science and Engineering Program, La Jolla, CA 92093 (United States); Piqutte, A.; Hannah, M.E. [OSRAM SYLVANIA Central Research, 71 Cherry Hill Drive Beverly, MA 01915 (United States); Hirata, G.A. [Centro de Nanociencias y Nanotecnolgía, Universidad Nacional Autónoma de México, Km. 107 Carretera Tijuana-Ensenada Apdo, Ensenada MX CP 22860 (Mexico); Talbot, J.B. [University of California, San Diego, Materials Science and Engineering Program, La Jolla, CA 92093 (United States); University of California, San Diego, Department of Nanoengineering, La Jolla, CA 92093 (United States); Mishra, K.C. [OSRAM SYLVANIA Central Research, 71 Cherry Hill Drive Beverly, MA 01915 (United States); McKittrick, J., E-mail: jmckittrick@ucsd.edu [University of California, San Diego, Materials Science and Engineering Program, La Jolla, CA 92093 (United States); University of California, San Diego, Department of Mechanical and Aerospace Engineering, La Jolla, CA 92093 (United States)

2014-04-15

The luminescence properties of Eu{sup 2+} and Mn{sup 2+} co-activated (Ba,Ca,Sr){sub 3}MgSi{sub 2}O{sub 8} phosphors prepared by combustion synthesis were studied. Eu{sup 2+}-activated (Ba,Ca,Sr){sub 3}MgSi{sub 2}O{sub 8} has a broad blue emission band centered at 450–485 nm and Eu{sup 2+}–Mn{sup 2+}-activated (Ba,Ca,Sr){sub 3}MgSi{sub 2}O{sub 8} exhibits a red emission around 620–703 nm, depending on the relative concentrations of Ba, Ca and Sr. The particle size of Eu{sup 2+} and Mn{sup 2+} co-activated (Ba,Ca){sub 3}MgSi{sub 2}O{sub 8} ranges from 300 nm to 1 μm depending on the metal ion and are agglomerated due to post-synthesis, high temperature annealing. The green emission of Ba{sub 3}MgSi{sub 2}O{sub 8} originates from secondary phases (Ba{sub 2}SiO{sub 4} and BaMgSiO{sub 4}) confirmed by emission spectra and X-ray diffraction patterns. The secondary phases of Ba{sub 3}MgSi{sub 2}O{sub 8} are removed by the addition of Sr. The quantum efficiencies range from 45% to 70% under 400 nm excitation and the lifetime of red emission of Ba{sub 3}MgSi{sub 2}O{sub 8} decreases significantly with increasing temperature, which is 54% at 400 K of that at 80 K compared to that of blue emission (90% at 400 K of that at 80 K). -- highlights: • (Ba,Ca,Sr){sub 3}MgSi{sub 2}O{sub 8}:Eu{sup 2+}, Mn{sup 2+} phosphors were prepared by a combustion synthesis method. • The emission spectra consist of broad blue-emission band and red-emission band. • The quantum efficiencies range between 45% and 70%, depending on the relative concentrations of Ba, Ca and Sr. • The secondary phases were eliminated by additions of Sr. • Lifetime of the red-emission decreases with increasing temperature, suggesting that these phosphors are not useful for solid state lighting applications.

Soil CO2 concentrations and efflux dynamics of a tree island in the Pantanal wetland

Science.gov (United States)

Lathuillière, Michael J.; Pinto, Osvaldo B.; Johnson, Mark S.; Jassal, Rachhpal S.; Dalmagro, Higo J.; Leite, Nei K.; Speratti, Alicia B.; Krampe, Daniela; Couto, Eduardo G.

2017-08-01

The Pantanal is the largest tropical wetland on the planet, and yet little information is available on the biome's carbon cycle. We used an automatic station to measure soil CO2 concentrations and oxidation-reduction potential over the 2014 and 2015 flood cycles of a tree island in the Pantanal that is immune to inundation during the wetland's annual flooding. The soil CO2 concentration profile was then used to estimate soil CO2 efflux over the two periods. In 2014, subsurface soil saturation at 0.30 m depth created conditions in that layer that led to CO2 buildup close to 200,000 ppm and soil oxidation-reduction potential below -300 mV, conditions that were not repeated in 2015 due to annual variability in soil saturation at the site. Mean CO2 efflux over the 2015 flood cycle was 0.023 ± 0.103 mg CO2-C m-2 s-1 representing a total annual efflux of 593 ± 2690 mg CO2-C m-2 y-1. Unlike a nearby tree island site that experiences full inundation during the wet season, here the soil dried quickly following repeated rain events throughout the year, which led to the release of CO2 pulses from the soil. This study highlights not only the complexity and heterogeneity in the Pantanal's carbon balance based on differences in topography, flood cycles, and vegetation but also the challenges of applying the gradient method in the Pantanal due to deviations from steady state conditions.

Syngas production from CO{sub 2}-reforming of CH{sub 4} over sol-gel synthesized Ni-Co/Al{sub 2}O{sub 3}-MgOZrO{sub 2} nanocatalyst: effect of ZrO{sub 2} precursor on catalyst properties and performance

Energy Technology Data Exchange (ETDEWEB)

Sajjadi, Seyed Mehdi; Haghighi, Mohammad; Rahmani, Farhad, E-mail: haghighi@sut.ac.ir [Reactor and Catalysis Research Center, Sahand University of Technology, Tabriz (Iran, Islamic Republic of)

2015-05-15

Ni-Co/Al{sub 2}O{sub 3}-MgO-ZrO{sub 2} nanocatalyst with utilization of two different zirconia precursors, namely, zirconyl nitrate hydrate (ZNH) and zirconyl nitrate solution (ZNS), was synthesized via the sol-gel method. The physiochemical properties of nanocatalysts were characterized by XRD, FESEM, EDX, BET and FTIR analyses and employed for syngas production from CO{sub 2}-reforming of CH{sub 4}. XRD patterns, exhibiting proper crystalline structure and homogeneous dispersion of active phase for the nanocatalyst ZNS precursor employed (NCAMZ-ZNS). FESEM and BET results of NCAMZ-ZNS presented more uniform morphology and smaller particle size and consequently higher surface areas. In addition, average particle size of NCAMZ-ZNS was 15.7 nm, which is close to the critical size for Ni-Co catalysts to avoid carbon formation. Moreover, FESEM analysis indicated both prepared samples were nanoscale. EDX analysis confirmed the existence of various elements used and also supported the statements made in the XRD and FESEM analyses regarding dispersion. Based on the excellent physiochemical properties, NCAMZ-ZNS exhibited the best reactant conversion across all of the evaluated temperatures, e.g. CH{sub 4} and CO{sub 2} conversions were 97.2 and 99% at 850 °C, respectively. Furthermore, NCAMZZNS demonstrated a stable yield with H{sub 2}/CO close to unit value during the 1440 min stability test. (author)

Influence of elemental diffusion on low temperature formation of MgH2 in TiMn1.3T0.2-Mg (T = 3d-transition elements)

International Nuclear Information System (INIS)

Yamamoto, K.; Tanioka, S.; Tsushio, Y.; Shimizu, T.; Morishita, T.; Orimo, S.; Fujii, H.

1996-01-01

In order to examine the influence of the elemental diffusion from the host compound into the Mg region on low temperature formation of MgH 2 , we have investigated the hydriding properties and the microstructures of the composite materials TiMn 1.3 T 0.2 -Mg (T = V, Cr, Mn, Fe, Co, Ni and Cu). MgH 2 is formed at 353 K in all composite materials. Of all the substitutions, the amount of MgH 2 is the largest in the case of the Cu substitution, which originates from the existence of the Mg-Mg 2 Cu eutectic formed by Cu diffusion from the host compound TiMn 1.3 Cu 0.2 into the Mg region during the liquid phase sintering. In addition, the hydrogen capacity of TiMn 1.3 Cu 0.2 -Mg (that is TiMn 1.3 Cu 0.1 -(Mg+Mg 2 Cu) after the sintering) easily saturates in comparison with TiMn 1.5 -(Mg+Mg 2 Cu) without Cu diffusion. It is concluded that Cu diffusion promotes the mobility of hydrogen atoms at the complex interface between the host compound and the Mg region. (orig.)

47-mG2a: A Mouse IgG2a-Type of PcMab-47 Useful for Detecting Podocalyxin in Esophageal Cancers by Immunohistochemistry.

Science.gov (United States)

Kaneko, Mika K; Itai, Shunsuke; Yamada, Shinji; Kato, Yukinari

2018-04-09

Esophageal cancer is one of the highly malignant cancers. It comprises two of the most common histological tumor types: squamous cell carcinoma (SCC) and adenocarcinoma. SCC accounts for about 90% of esophageal cancers. Despite developments in treatment strategies, the prognosis and survival rate remain poor. Podocalyxin (PODXL) is a highly glycosylated type-I transmembrane protein. It is expressed in normal tissues such as kidney, heart, breast, and pancreas. Upregulation of PODXL correlates with tumor progression, invasion, and metastasis. Therefore, this glycoprotein could be a potential biomarker for predicting the prognosis of some cancers, for instance, brain, colorectal, oral, lung, bladder, prostate, and ovarian cancers. We previously developed a specific and sensitive anti-PODXL monoclonal antibody (mAb), PcMab-47 (mouse IgG 1 , kappa) and its mouse IgG 2a -type (47-mG 2a ). We showed their utility in immunohistochemical analysis of oral cancers. Herein, we demonstrate that PcMab-47 and 47-mG 2a can also be used to detect esophageal squamous cell carcinoma (ESCC) with this technique. These two antibodies, respectively, stained 123/130 (94.6%) and 127/130 (97.7%) ESCC cases, indicating that they can detect PODXL with high sensitivity in this carcinoma. Of more than 3+ cases, 47-mG 2a was more effective than PcMab-47, respectively, staining 56/127 (44.1%) and 41/123 (33.3%). Therefore, 47-mG 2a can be used for the detection of PODXL in ESCC using immunohistochemical analysis.

CO{sub 2} REFORMING OF METHANE TO SYNGAS OVER HYDROTALCITES DERRIVED CATALYSTS

Energy Technology Data Exchange (ETDEWEB)

Z. Abdelssadek; F. Touahra; A. Saadi; O. Cherifi; D. Halliche [Laboratoire de Chimie du Gaz Naturel, Faculte de Chimie, El-Alia, Alger (Algeria); K. Bachari [Centre de recherches scientifiques et techniques en analyses physico-chimiques, Alger (Algeria)

2008-09-30

Considerable attention has been paid to the catalytic reforming of CH4 with CO2 to synthesis gas (CH4 + CO2 - 2CO + 2H2 ) in recent years. This reaction has very important environmental implications since both CH4 and CO2 contribute to the green house effect. They are also two of the most important abundant carbon-containing materials. Therefore, converting these two gases into a valuable synthesis gas may not only reduce atmospheric emissions of CO2 and CH4 , but also satisfy the requirement of many synthesis processes. In addition, the synthesis gas produced by this reaction has a high CO content, it is more suitable for the synthesis of valuable oxygenated chemicals then that produced by conventional steam reforming. Great efforts have been focused on the development of catalysts which show high activity and stability. Layered double hydroxides (LDH), are a class of synthetic two-dimensional nanostructured anionic clays catalysts. The catalysts obtained are characterized by ICP method, DRX, FTIR and BET methods. The data obtained from chemical analysis of the calcined catalysts confirmed that the n (M2+) / n(M3+) ratio is close to the intended value of 2. Room temperature FT-IR spectra were recorded in the range 4000 - 400 cm-1 , on a Perkin Elmer spectrometer. Catalysts stability were carried out at 650 C and a 1:1 CO2 / CH4 feed ratio. It was found that performances of catalysts after 6 h in reaction indicates that within this period nor or little deactivation takes place over them: At 650 C, the NiMgAL-HDL, NiMgLa-LDH catalysts reach respectively 54.0%, 69.0%, of methane conversion versus 75.0% 79.3% respectively of CO2 conversion. However, Co- catalysts did not show any catalytic activity in these experiments conditions.

Measurements of CO2 Column Abundance in the Low Atmosphere Using Ground Based 1.6 μm CO2 DIAL

Science.gov (United States)

Abo, M.; Shibata, Y.; Nagasawa, C.

2017-12-01

Changes in atmospheric carbon dioxide (CO2) concentration are believed to produce the largest radiative forcing for the current climate system. Accurate predictions of atmospheric CO2 concentration rely on the knowledge of its sinks and sources, transports, and its variability with time. Although this knowledge is currently unsatisfactory, numerical models use it as a way in simulating CO2 fluxes. Validating and improving the global atmospheric transport model, therefore, requires precise measurement of the CO2 concentration profile. There are two further variations on Lidar: the differential absorption Lidar (DIAL) and the integrated path differential absorption (IPDA) Lidar. DIAL/IPDA are basically for profile/total column measurement, respectively. IPDA is a special case of DIAL and can measure the total column-averaged mixing ratio of trace gases using return signals from the Earth's surface or from thick clouds based on an airborne or a satellite. We have developed a ground based 1.6 μm DIAL to measure vertical CO2 mixing ratio profiles from 0.4 to 2.5 km altitude. The goals of the CO2 DIAL are to produce atmospheric CO2 mixing ratio measurements with much smaller seasonal and diurnal biases from the ground surface. But, in the ground based lidar, return signals from around ground surface are usually suppressed in order to handle the large dynamic range. To receive the return signals as near as possible from ground surface, namely, the field of view (FOV) of the telescope must be wide enough to reduce the blind range of the lidar. While the return signals from the far distance are very weak, to enhance the sensitivity and heighten the detecting distance, the FOV must be narrow enough to suppress the sky background light, especially during the daytime measurements. To solve this problem, we propose a total column measurement method from the ground surface to 0.4 km altitude. Instead of strong signals from thick clouds such as the IPDA, the proposed method uses

Ca(2+-dependent regulation of the Ca(2+ concentration in the myometrium mitochondria. II. Ca(2+ effects on mitochondria membranes polarization and [Ca(2+](m