Electrical conductivity, thermopower and 57Fe Mössbauer spectroscopy of aegirine (NaFeSi2O6)
NASA Astrophysics Data System (ADS)
Schmidbauer, E.; Kunzmann, Th.
DC and AC electrical conductivities were measured on samples of two different crystals of the mineral aegirine (NaFeSi2O6) parallel (∥) and perpendicular (⊥) to the [001] direction of the clinopyroxene structure between 200 and 600 K. Impedance spectroscopy was applied (20 Hz-1 MHz) and the bulk DC conductivity σDC was determined by extrapolating AC data to zero frequency. In both directions, the log σDC - 1/T curves bend slightly. In the high- and low-temperature limits, differential activation energies were derived for measurements ∥ [001] of EA 0.45 and 0.35 eV, respectively, and the numbers ⊥ [001] are very similar. The value of σDC ∥ [001] with σDC(300 K) 2.0 × 10-6 Ω-1cm-1 is by a factor of 2-10 above that measured ⊥ [001], depending on temperature, which means anisotropic charge transport. Below 350 K, the AC conductivity σ'(ω) (ω/2π=frequency) is enhanced relative to σDC for both directions with an increasing difference for rising frequencies on lowering the temperature. An approximate power law for σ'(ω) is noted at higher frequencies and low temperatures with σ'(ω) ωs, which is frequently observed on amorphous and disordered semiconductors. Scaling of σ'(ω) data is possible with reference to σDC, which results in a quasi-universal curve for different temperatures. An attempt was made to discuss DC and AC results in the light of theoretical models of hopping charge transport and of a possible Fe2+ --> Fe3+ electron hopping mechanism. The thermopower Θ (Seebeck effect) in the temperature range 360 K < T < 770 K is negative in both directions. There is a linear Θ - 1/T relationship above 400 K with activation energy EΘ 0.030 eV ∥ [001] and 0.070 eV ⊥ [001]. 57Fe Mössbauer spectroscopy was applied to detect Fe2+ in addition to the dominating concentration of Fe3+.
Kuchenreuther, Jon M.; Guo, Yisong; Wang, Hongxin; Myers, William K.; George, Simon J.; Boyke, Christine A.; Yoda, Yoshitaka; Alp, E. Ercan; Zhao, Jiyong; Britt, R. David; Swartz, James R.; Cramer, Stephen P.
2013-01-01
The [FeFe] hydrogenase from Clostridium pasteurianum (CpI) harbors four Fe–S clusters that facilitate electron transfer to the H-cluster, a ligand-coordinated six-iron prosthetic group that catalyzes the redox interconversion of protons and H2. Here, we have used 57Fe nuclear resonance vibrational spectroscopy (NRVS) to study the iron centers in CpI, and we compare our data to that for a [4Fe–4S] ferredoxin as well as a model complex resembling the [2Fe]H catalytic domain of the H-cluster. In order to enrich the hydrogenase with 57Fe nuclei, we used cell-free methods to post-translationally mature the enzyme. Specifically, inactive CpI apoprotein with 56Fe-labeled Fe–S clusters was activated in vitro using 57Fe-enriched maturation proteins. This approach enabled us to selectively label the [2Fe]H subcluster with 57Fe, which NRVS confirms by detecting 57Fe–CO and 57Fe–CN normal modes from the H-cluster nonprotein ligands. The NRVS and iron quantification results also suggest that the hydrogenase contains a second 57Fe–S cluster. EPR spectroscopy indicates that this 57Fe-enriched metal center is not the [4Fe– 4S]H subcluster of the H-cluster. This finding demonstrates that the CpI hydrogenase retained an 56Fe-enriched [4Fe–4S]H cluster during in vitro maturation, providing unambiguous evidence for stepwise assembly of the H-cluster. In addition, this work represents the first NRVS characterization of [FeFe] hydrogenases. PMID:23249091
Nematic fluctuations in iron arsenides NaFeAs and LiFeAs probed by 75As NMR
NASA Astrophysics Data System (ADS)
Toyoda, Masayuki; Kobayashi, Yoshiaki; Itoh, Masayuki
2018-03-01
75As NMR measurements have been made on single crystals to study the nematic state in the iron arsenides NaFeAs, which undergoes a structural transition from a high-temperature (high-T ) tetragonal phase to a low-T orthorhombic phase at Ts=57 K and an antiferromagnetic transition at TN=42 K, and LiFeAs having a superconducting transition at Tc=18 K. We observe the in-plane anisotropy of the electric field gradient η even in the tetragonal phase of NaFeAs and LiFeAs, showing the local breaking of tetragonal C4 symmetry. Then, η is found to obey the Curie-Weiss (CW) law as well as in Ba (Fe1-xCox) 2As2 . The good agreement between η and the nematic susceptibility obtained by electronic Raman spectroscopy indicates that η is governed by the nematic susceptibility. From comparing η in NaFeAs and LiFeAs with η in Ba (Fe1-xCox) 2As2 , we discuss the carrier-doping dependence of the nematic susceptibility. The spin contribution to nematic susceptibility is also discussed from comparing the CW terms in η with the nuclear spin-lattice relaxation rate divided by temperature 1 /T1T . Finally, we discuss the nematic transition in the paramagnetic orthorhombic phase of NaFeAs from the in-plane anisotropy of 1 /T1T .
Study on the keV neutron capture reaction in 56Fe and 57Fe
NASA Astrophysics Data System (ADS)
Wang, Taofeng; Lee, Manwoo; Kim, Guinyun; Ro, Tae-Ik; Kang, Yeong-Rok; Igashira, Masayuki; Katabuchi, Tatsuya
2014-03-01
The neutron capture cross-sections and the radiative capture gamma-ray spectra from the broad resonances of 56Fe and 57Fe in the neutron energy range from 10 to 90keV and 550keV have been measured with an anti-Compton NaI(Tl) detector. Pulsed keV neutrons were produced from the 7Li 7Be reaction by bombarding the lithium target with the 1.5ns bunched proton beam from the 3MV Pelletron accelerator. The incident neutron spectrum on a capture sample was measured by means of a time-of-flight (TOF) method with a 6Li -glass detector. The number of weighted capture counts of the iron or gold sample was obtained by applying a pulse height weighting technique to the corresponding capture gamma-ray pulse height spectrum. The neutron capture gamma-ray spectra were obtained by unfolding the observed capture gamma-ray pulse height spectra. To achieve further understanding on the mechanism of neutron radiative capture reaction and study on physics models, theoretical calculations of the -ray spectra for 56Fe and 57Fe with the POD program have been performed by applying the Hauser-Feshbach statistical model. The dominant ingredients to perform the statistical calculation were the Optical Model Potential (OMP), the level densities described by the Mengoni-Nakajima approach, and the -ray transmission coefficients described by -ray strength functions. The comparison of the theoretical calculations, performed only for the 550keV point, show a good agreement with the present experimental results.
Na7 [Fe2S6 ] , Na2 [FeS2 ] and Na2 [FeSe2 ] : New 'reduced' sodium chalcogenido ferrates
NASA Astrophysics Data System (ADS)
Stüble, Pirmin; Peschke, Simon; Johrendt, Dirk; Röhr, Caroline
2018-02-01
Three new 'reduced' FeII containing sodium chalcogenido ferrates were obtained applying a reductive synthetic route. The mixed-valent sulfido ferrate Na7 [Fe2S6 ] , which forms bar-shaped crystals with metallic greenish luster, was synthesized in pure phase from natural pyrite and elemental sodium at a maximum temperature of 800 °C. Its centrosymmetric triclinic structure (SG P 1 bar , a = 764.15(2), b = 1153.70(2), c = 1272.58(3) pm, α = 62.3325 (7) , β = 72.8345 (8) , γ = 84.6394 (8) ° , Z = 3, R1 = 0.0185) exhibits two crystallographically different [Fe2S6 ] 7 - dimers of edge-sharing [FeS4 ] tetrahedra, with somewhat larger Fe-S distances than in the fully oxidized FeIII dimers of e.g. Na6 [Fe2III S6 ] . In contrast to the localized AFM ordered pure di-ferrates(III), the Curie-Weiss behavior of the magnetic susceptibility proves the rarely observed valence-delocalized S = 9/2 state of the mixed-valent FeIII /FeII dimer. The nearly spin-only value of the magnetic moment combined with the chemical bonding not generally differing from that in pure ferrates(II) and (III), provides a striking argument, that the reduction of the local Fe spin moments observed in all condensed sulfido ferrate moieties is connected with the AFM spin ordering. The two isotypic ferrates(II) Na2 [FeS2 ] and Na2 [FeSe2 ] with chain-like structural units (SG Ibam, a = 643.54(8)/ 660.81(1), b = 1140.2(2)/1190.30(2) c = 562.90(6)/585.59(1) pm, Z = 4, R1 = 0.0372/0.0466) crystallize in the K2 [ZnO2 ] -type structure. Although representing merely further members of the common series of chalcogenido metallates(II) Na2 [MIIQ2 ] , these two new phases, together with Na6 [FeS4 ] and Li2 [FeS2 ] , are the only examples of pure FeII alkali chalcogenido ferrates. The new compounds allow for a general comparison of di- and chain ferrates(II) and (III) and mixed-valent analogs concerning the electronic and magnetic properties (including Heisenberg super-exchange and double-exchange interactions
NASA Astrophysics Data System (ADS)
Kobayashi, Shintaro; Ueda, Hiroaki; Michioka, Chishiro; Yoshimura, Kazuyoshi; Nakamura, Shin; Katsufuji, Takuro; Sawa, Hiroshi
2018-05-01
The physical properties of the mixed-valent iron oxide β -NaFe2O3 were investigated by means of synchrotron radiation x-ray diffraction, magnetization, electrical resistivity, differential scanning calorimetry, 23Na NMR, and 57FeM o ̈ssbauer measurements. This compound has double triangular layers consisting of almost perfect regular Fe4 tetrahedra, which suggests geometrical frustration. We found that this compound exhibits an electrostatically unstable double-stripe-type charge ordering, which is stabilized by the cooperative compression of Fe3 +O6 octahedra, owing to a valence change and Fe2 +O6 octahedra due to Jahn-Teller distortion. Our results indicate the importance of electron-phonon coupling for charge ordering in the region of strong charge frustration.
NASA Astrophysics Data System (ADS)
Kitagawa, Kentaro; Mezaki, Yuji; Matsubayashi, Kazuyuki; Uwatoko, Yoshiya; Takigawa, Masashi
2011-03-01
We report the results of 23Na and 75As nuclear magnetic resonance (NMR) experiments on a self-flux grown high-quality single crystal of stoichiometric NaFeAs. The NMR spectra reveal a tetragonal to twinned-orthorhombic structural phase transition at TO = 57 K and an antiferromagnetic (AF) transition at TAF = 45 K. The divergent behavior of nuclear relaxation rate near TAF shows significant anisotropy, indicating that the critical slowing down of stripe-type AF fluctuations are strongly anisotropic in spin space. The NMR spectra at sufficiently low temperatures consist of sharp peaks showing a commensurate stripe AF order with a small moment of ˜0.3 μB. However, the spectra just below TAF exhibit a highly asymmetric broadening pointing to an incommensurate modulation. The commensurate-incommensurate crossover in NaFeAs shows a certain similarity to the behavior of SrFe2As2 under high pressure.
Magnetism in Na-filled Fe-based skutterudites
Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; ...
2015-06-01
The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that spin-fluctuations near a magnetic quantum critical point may provide an explanation for the superconductivity and the order parameter. We investigate magnetism in the Na filled Fe-based skutterudites using first principles calculations. NaFe 4Sb 12 is a known ferromagnet near a quantum critical point. We find a ferromagnetic metallic state for this compound driven by a Stoner type instability, consistent with prior work. In accord with prior work, the magnetization is overestimated, as expected for amore » material near an itinerant ferromagnetic quantum critical point. NaFe 4P 12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe 4Sb 12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe 4As 12 shows intermediate behavior. We also present results for skutterudite FeSb 3, which is a metastable phase that has been reported in thin film form.« less
57Fe Mössbauer study of the chainpur meteorite
NASA Astrophysics Data System (ADS)
Elewa, Nancy N.; Cobas, R.; Cadogan, J. M.
2016-12-01
The Chainpur meteorite is one of 23 ordinary chondrites classified as LL3-type (low-Fe & low-metal). It was observed as a shower of stones falling on May 9, 1907 in Uttar Pradesh, India. We report here the characterization of the Fe-bearing phases in this chondrite using 57Fe Mössbauer spectroscopy carried out at 298 K, 120 K, 50 K and 13 K. The paramagnetic doublets of olivine and pyroxene dominate the room temperature spectrum, accounting for around 70 % of the spectral area. Moreover, a doublet present with a spectral area of 5 % and assigned to a superparamagnetic Fe 3+ phase is a consequence of terrestrial weathering. On the basis of the measured 57Fe electric quadrupole splitting of the olivine component at room temperature we estimate the mean Fe:Mg ratio in this meteoritic olivine to be around 35:65 % although there is clearly a wide range of composition. The effects of magnetic ordering of the major components olivine and pyroxene are observed at 13 K.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cuda, Jan, E-mail: jan.cuda@upol.cz; Tucek, Jiri; Filip, Jan
2014-10-27
Powdered troilite (FeS), extracted from the Cape York IIIA octahedrite meteorite, was investigated employing in-field {sup 57}Fe Mössbauer spectroscopy. The study identified a typical behavior of polycrystalline antiferromagnetic material under external magnetic fields. The in-field evolution of the {sup 57}Fe Mössbauer spectra showed that the spin-flop transition in the FeS system occurs at a field higher than 5 T.
Iron isotope effect in the iron arsenide superconductor (Ca0.4Na0.6)Fe2As2
NASA Astrophysics Data System (ADS)
Tsuge, Y.; Nishio, T.; Iyo, A.; Tanaka, Y.; Eisaki, H.
2014-05-01
We report a new sample synthesis technique for polycrystalline (Ca1-xNax)Fe2As2 (0
Spectroscopic characterization of (57)Fe-enriched cytochrome c.
Leu, Bogdan M; Ching, Tom H; Tran, Cuong; Sage, J Timothy
2012-04-01
Investigation of the heme iron dynamics in cytochrome c with Mössbauer spectroscopy and especially nuclear resonance vibrational spectroscopy requires the replacement of the natural abundant heme iron with the (57)Fe isotope. For demetallization, we use a safer and milder ferrous sulfate-hydrochloric acid method in addition to the harsher commonly used hydrofluoric acid-based procedure. The structural integrity of the (57)Fe-reconstituted protein in both oxidation states is confirmed from absorption spectra and a detailed analysis of the rich resonance Raman spectra. These results reinforce the application of metal-substituted heme c proteins as reliable models for the native proteins. Published by Elsevier Inc.
57Fe Mössbauer study of Lu 2Fe 3Si 5 iron silicide superconductor
Ma, Xiaoming; Ran, Sheng; Pang, Hua; ...
2015-03-28
With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu 2Fe 3Si 5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (T c=6.1 K). Consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. Furthermore, the value of Debye temperaturemore » was estimated from temperature dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. Neither abnormal behavior of the hyperfine parameters at or near T c, nor phonon softening were observed.« less
NASA Astrophysics Data System (ADS)
Coquil, Gaël; Fullenwarth, Julien; Grinbom, Gal; Sougrati, Moulay Tahar; Stievano, Lorenzo; Zitoun, David; Monconduit, Laure
2017-12-01
The electrochemical mechanism and performance of FeSi4P4, vs. Na and Li were studied using a combination of operando X-ray diffraction, 57Fe Mössbauer spectroscopy, and SQUID magnetometry. This silicon- and phosphorous-rich material exhibits a high capacity of 1750 mAh/g, retaining 1120 mAh/g after 40 cycles, and reacts through an original reversible mechanism surprisingly involving only slight changes in the chemical environment of the iron. Magnetic measurements and 57Fe Mössbauer spectroscopy at low temperature reveal the reversible but incomplete change of the magnetic moment upon charge and discharge. Such a mild reversible process without drastic phase transition (with the exception of the crystalline to amorphous transition during the first lithiation) can explain the satisfying capacity retention. The electrochemical mechanism appears thus to be significantly different from the classical conversion or alloying/dealloying mechanisms usually observed in Lithium ion batteries for p-group element based materials. The same iron silicon phosphide electrode shows also interesting but significantly lower performance vs. Na, with a limited capacity retention 350 mAh/g.
Mechanically-induced disorder in CaFe 2As 2: A 57Fe Mössbauer study
Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; ...
2015-10-17
57Fe Mössbauer spectroscopy was used to perform a microscopic study on the extremely pressure and strain sensitive compound, CaFe 2As 2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the antiferromagnetic/orthorhombic phase, compared to a sharp sextet Mössbauer spectrum of single crystal CaFe 2As 2, which is taken as an un-strained sample, an obviously broadened sextet and an extra doublet were observed for ground CaFe 2As 2 powders with different degrees of strain. The Mössbauer results suggest that the magnetic phase transition of CaFe 2As 2 can be inhomogeneously suppressed by the grindingmore » induced strain to such an extent that the antiferromagnetic order in parts of the grains forming the powdered sample remain absent all the way down to 4.6 K. However, strain has almost no effect on the temperature dependent hyperfine magnetic field in the grains with magnetic order. Additional electronic and asymmetry information was obtained from the isomer shift and quadrupole splitting. Similar isomer shift values in the magnetic phase for samples with different degrees of strain, indicate that the stain does not bring any significant variation of the electronic density at 57Fe nucleus position. As a result, the absolute values of quadrupole shift in the magnetic phase decrease and approach zero with increasing degrees of strain, indicating that the strain reduces the average lattice asymmetry at Fe atom position.« less
57Fe Mössbauer study of unusual magnetic structure of multiferroic 3R-AgFeO2
NASA Astrophysics Data System (ADS)
Sobolev, A.; Rusakov, V.; Moskvin, A.; Gapochka, A.; Belik, A.; Glazkova, I.; Akulenko, A.; Demazeau, G.; Presniakov, I.
2017-07-01
We report new results of a 57Fe Mössbauer study of hyperfine magnetic interactions in the layered multiferroic 3R-AgFeO2 demonstrating two magnetic phase transitions at T N1 and T N2. The asymptotic value β * ≈ 0.34 for the critical exponent obtained from the temperature dependence of the hyperfine field H hf(T) at 57Fe the nuclei below T N1 ≈ 14 K indicates that 3R-AgFeO2 shows quasi-3D critical behavior. The spectra just above T N1 (T N1 < T < T * ≈ 41 K) demonstrate a relaxation behavior due to critical spin fluctuations which indicates the occurrence of short-range correlations. At the intermediate temperature range, T N2 < T < T N1, the 57Fe Mössbauer spectra are described in terms of collinear spin-density-waves (SDW) with the inclusion of many high-order harmonics, indicating that the real magnetic structure of the ferrite appears to be more complicated than a pure sinusoidally modulated SDW. Below T < T N2 ≈ 9 K, the hyperfine field H hf reveals a large spatial anisotropy (ΔH anis ≈ 30 kOe) which is related with a local intra-cluster (FeO6) spin-dipole term that implies a conventional contribution of the polarized oxygen ions. We proposed a simple two-parametric formula to describe the dependence of H anis on the distortions of the (FeO6) clusters. Analysis of different mechanisms of spin and hyperfine interactions in 3R-AgFeO2 and its structural analogue CuFeO2 points to a specific role played by the topology of the exchange coupling and the oxygen polarization in the delafossite-like structures.
Detailed investigation of Na2.24FePO4CO3 as a cathode material for Na-ion batteries
Huang, Weifeng; Zhou, Jing; Li, Biao; Ma, Jin; Tao, Shi; Xia, Dingguo; Chu, Wangsheng; Wu, Ziyu
2014-01-01
Na-ion batteries are gaining an increased recognition as the next generation low cost energy storage devices. Here, we present a characterization of Na3FePO4CO3 nanoplates as a novel cathode material for sodium ion batteries. First-principles calculations reveal that there are two paths for Na ion migration along b and c axis. In-situ and ex-situ Fe K-edge X-ray absorption near edge structure (XANES) point out that in Na3FePO4CO3 both Fe2+/Fe3+ and Fe3+/Fe4+ redox couples are electrochemically active, suggesting also the existence of a two-electron intercalation reaction. Ex-situ X-ray powder diffraction data demonstrates that the crystalline structure of Na3FePO4CO3 remains stable during the charging/discharging process within the range 2.0–4.55 V. PMID:24595232
Effect of NaFeEDTA-fortified soy sauce on zinc absorption in children.
Li, Min; Wu, Jinghuan; Ren, Tongxiang; Wang, Rui; Li, Weidong; Piao, Jianhua; Wang, Jun; Yang, Xiaoguang
2015-03-01
NaFeEDTA has been applied in many foods as an iron fortificant and is used to prevent iron deficiency in Fe-depleted populations. In China, soy sauce is fortified with NaFeEDTA to control iron deficiency. However, it is unclear whether Fe-fortified soy sauce affects zinc absorption. To investigate whether NaFeEDTA-fortified soy sauce affects zinc absorption in children, sixty children were enrolled in this study and randomly assigned to three groups (10 male children and 10 female children in each group). All children received daily 3 mg of (67)Zn and 1.2 mg of dysprosium orally, while the children in the three groups were supplemented with NaFeEDTA-fortified soy sauce (6 mg Fe, NaFeEDTA group), FeSO₄-fortified soy sauce (6 mg Fe, FeSO₄ group), and no iron-fortified soy sauce (control group), respectively. Fecal samples were collected during the experimental period and analyzed for the Zn content, (67)Zn isotope ratio and dysprosium content. The Fe intake from NaFeEDTA-fortified and FeSO₄-fortified groups was significantly higher than that in the control group (P < 0.0001). The daily total Zn intake was not significantly different among the three groups. There were no significant differences in fractional Zn absorption (FZA) (P = 0.3895), dysprosium recovery (P = 0.7498) and Zn absorption (P = 0.5940) among the three groups. Therefore, NaFeEDTA-fortified soy sauce does not affect Zn bioavailability in children.
Annealing Behavior of 57Fe Implanted in ZrO2(Y)
NASA Astrophysics Data System (ADS)
Zhang, G. L.; Yu, F. H.; Weng, H. M.; Zhang, H. H.
1998-12-01
Using conversion electron Mossbauer spectroscopy(CEMS) and slow positron beam, the chemical states of the implanted 57Fe (100KeV,3 × 10 16 ions/cm 2) in ZrO2 containing 3 mol% Y 2O 3( ZY 3) and its thermodynamic behavior during annealing process with the temperature from 200 to 500°C were studied. After annealing at 400°C the complex of Fe3+-V has been mostly dissolved, and the prior phase to α-Fe and α-Fe nano-crystalline cluster were present in the sample. Meanwhile the mixed conducting of oxygen-ions and electrons in the ZY3 containing Fe sample appeared.
Freeze-quench (57)Fe-Mössbauer spectroscopy: trapping reactive intermediates.
Krebs, Carsten; Bollinger, J Martin
2009-01-01
(57)Fe-Mössbauer spectroscopy is a method that probes transitions between the nuclear ground state (I=1/2) and the first nuclear excited state (I=3/2). This technique provides detailed information about the chemical environment and electronic structure of iron. Therefore, it has played an important role in studies of the numerous iron-containing proteins and enzymes. In conjunction with the freeze-quench method, (57)Fe-Mössbauer spectroscopy allows for monitoring changes of the iron site(s) during a biochemical reaction. This approach is particularly powerful for detection and characterization of reactive intermediates. Comparison of experimentally determined Mössbauer parameters to those predicted by density functional theory for hypothetical model structures can then provide detailed insight into the structures of reactive intermediates. We have recently used this methodology to study the reactions of various mononuclear non-heme-iron enzymes by trapping and characterizing several Fe(IV)-oxo reaction intermediates. In this article, we summarize these findings and demonstrate the potential of the method. © Springer Science+Business Media B.V. 2009
Effects of NaBF4 + NaF on the Tensile and Impact Properties of Al-Si-Mg-Fe Alloys
NASA Astrophysics Data System (ADS)
Chen, Zongning; Wang, Tongmin; Zhao, Yufei; Zheng, Yuanping; Kang, Huijun
2015-05-01
NaBF4 + NaF were found to play three roles, i.e., Fe-eliminator, grain refiner, and eutectic modifier, in treating A356 alloy with a high Fe content. The joint effects led to significant improvement in both tensile and impact properties of thus treated alloy. The multiple reactions between the NaBF4 + NaF and Al-Si-Mg-Fe system are suggested to form Fe2B, AlB2, and Na in the melt, as per thermodynamic analysis. The three are responsible for Fe removal, grain refinement, and eutectic modification, respectively. When NaBF4 and NaF are mixed in weight ratio of 1:1, an optimum addition rate is in the range between 1.0 and 2.0 wt pct for treating AlSi7Mg0.3Fe0.65 alloy, based on the results of tensile and impact tests. Excessive addition of the salt may deteriorate the mechanical properties of the alloy, basically owing to overmodification of Si and contamination of salt inclusions.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fedotov, Stanislav S.; Skoltech Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology, 143026 Moscow; Kuzovchikov, Sergey M.
2016-10-15
LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by {sup 57}Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F cathode material demonstrated a reversible activity of the Fe{sup 3+}/Fe{sup 2+} redox couple at the electrodemore » potential near 3.4 V and minor activity of the Co{sup 3+}/Co{sup 2+} redox couple over 5 V vs Li/Li{sup +}. The material exhibited the discharge capacity of more than 82% (theo.) regarding Fe{sup 3+}/Fe{sup 2+} in the 2.4÷4.6 V vs Li/Li{sup +} potential range. - Graphical abstract: The ball-polyhedral representation of the LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F crystal structure. The MO{sub 4}F{sub 2} units are depicted as blue octahedra, PO{sub 4} units as orange tetrahedra, sodium atoms are designated as yellow (Na1), lithium – red and brown (Li2, Li3 resp.), fluorine – green, oxygen – violet spheres. - Highlights: • Freeze-drying method was successfully applied to the synthesis of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F. • The crystal structure of LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F was refined based on NPD and validated by ED and HRTEM. • LiNaCo{sub 0.5}Fe{sub 0.5}PO{sub 4}F demonstrated a reversible Li de/intercalation in the 2.5÷4.6 V vs Li/Li{sup +} range.« less
Fe-57 Mössbauer Study of the Murrili Ordinary Chondrite
NASA Astrophysics Data System (ADS)
Cadogan, J. M.; Bland, P. A.; Benedix, G. K.; Towner, M. C.; Sansom, E. K.; Devillepoix, H.; Howie, R. M.; Paxman, J. P.; Cupak, M.; Cox, M. A.; Jansen-Sturgeon, T.; Stuart, D.; Strangway, D.
2016-08-01
The Murrili meteorite fell in Lake Eyre South, South Australia, after being imaged and located by the Desert Fireball Network. It displays an unusual heterogeneous weathering throughout the stone, here quantified using 57Fe Mössbauer spectroscopy.
Application of 57Fe-enriched synthetic ferrihydrite to speciate the product of bacterial reduction
NASA Astrophysics Data System (ADS)
Larsen, Ole; Bender Koch, Chr.
2000-07-01
We have sampled a clay lens with evidence of sulfide reduction from a texturally stratified sandy aquifer at Rømø, Denmark. A minor amount of synthetic, pure 57Fe ferrihydrite was added to this sample and allowed to react for up to three months. The initial sample, the 57Fe ferrihydrite, and samples taken from the reaction mixture were investigated by Mössbauer spectroscopy at temperatures between 15 and 298 K as sampled and following exposure to oxygen. The initial sample only contained Fe(II) (33% of the iron) and Fe(III) in silicates. The Fe(III) in the ferrihydrite is reduced to Fe(II) as evidenced by an increase of this component by bacterial activity. The Fe(II) component remains paramagnetic at temperatures down to 15 K. Similarly to naturally reduced sediments the new-formed Fe(II) is extremely reactive towards molecular oxygen. Following oxidation the reformed Fe(III) is found as ferrihydrite. The bonding of the Fe(II) is by electrostatical bonding (adsorbed) to the layer silicates as evidenced by a temperature scanning of the sample between 80 and 270 K.
Hawthorne, F.C.; Oberti, R.; Ungaretti, L.; Ottolini, L.; Grice, Joel D.; Czamanske, G.K.
1996-01-01
Fluor-ferro-leakeite is a new amphibole species from the Canada Pinabete pluton, Questa, New Mexico, U.S.A.; it occurs in association with quartz, alkali feldspar, acmite, ilmenite, and zircon. It forms as anhedral bluish black crystals elongated along c and up to 1 mm long. It is brittle, H = 6, Dmeas = 3.37 g/cm3, Dcalc = 3.34 g/cm3. In plane-polarized light, it is strongly pleochroic, X = very dark indigo blue, Y = gray blue, Z = yellow green; X ??? c = 10?? (in ??obtuse), Y = b, Z ??? a = 4?? (in ?? obtuse), with absorption X > Y > Z. Fluor-ferro-leakeite is biaxial positive, ?? = 1.675(2), ??= 1.683(2), ?? = 1.694(1); 2V = 87(2)??; dispersion is not visible because of the strong absorption. Fluor-ferro-leakeite is monoclinic, space group C2/m, a = 9.792(1), b = 17.938(1), c = 5.3133(4) A??, ??= 103.87(7)??, V = 906.0(1) A??3, Z = 2. The ten strongest X-ray diffraction lines in the powder pattern are [d(I,hkl)]: 2.710(100,151), 2.536(92,202), 3.404(57,131), 4.481(54,040), 8.426(45,110), 2.985(38,241), 2.585(38,061), 3.122(29,310), 2.165(26,261), and 1.586(25,403). Analysis by a combination of electron microprobe, ion microprobe, and crystal-structure refinement (Hawthorne et al. 1993) gives SiO2 51.12, Al2O3 1.13, TiO2 0.68, Fe2O3 16.73, FeO 8.87, MgO 2.02, MnO 4.51, ZnO 0.57, CaO 0.15, Na2O 9.22, K2O 1.19, Li2O 0.99, F 2.87, H2Ocalc 0.60, sum 99.44 wt%. The formula unit, calculated on the basis of 23 O atoms, is (K0.23Na0.76)(Na1.97Ca0.03)(Mg 0.46Fe2+1.4Mn2+0.59Zn0.07Fe3+1.93-Ti 0.08Al0.02Li0.61])(Si7.81Al 0.19)O22(F1.39OH0.61). A previous crystal-structure refinement (Hawthorne et al. 1993) shows Li to be completely ordered at the M3 site. Fluor-ferro-leakeite, ideally NaNa2(Fe2+2Fe3+2Li)Si8O22F2, is related to leakeite, NaNa2(Mg2Fe3+3Li)Si 8O22(OH)2, by the substitutions Fe2+ ??? Mg and F ??? OH.
Enrichment of 57Fe isotope in neutron flux of nuclear reactors observed by Mössbauer spectroscopy.
Sawicki, Jerzy A
2018-02-01
The abundance of 57 Fe isotope in nuclear reactor core materials can be considerably enriched by neutron-capture 56 Fe(n,γ) reactions. This is demonstrated using the sections of Zr-2.5 wt.%Nb pressure tubes removed from two CANDU* reactors. The tubes contained 0.11 and 0.04wt% Fe and were irradiated for about 10 effective full power years (EFPY) up to ~10 26 n/m 2 fast neutron (E > 1MeV) fluencies. The Mössbauer spectra of 57 Fe in irradiated samples indicated up to 10 times larger areas than unirradiated off-cuts from the same pressure tubes. The observed effect is in accord with the values calculated for known thermal neutron-capture cross-sections and resonance capture integrals, neutron flux profiles and spectra, and times of irradiation. The build-up of 57 Fe facilitated recording Mössbauer absorption spectra of alloys with minor amount of Fe down to ~ 400ppm, despite intense background radiation emitted by samples. These findings can open new possibilities in post-irradiation studies of alloys used in nuclear reactors and in other objects subjected to large neutron fluencies. Copyright © 2017 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Bie, Xiaofei; Kubota, Kei; Hosaka, Tomooki; Chihara, Kuniko; Komaba, Shinichi
2018-02-01
Electrochemical performance of Prussian blue analogues (PBAs) as positive electrode materials for non-aqueous Na-ion batteries is known to be highly dependent on their synthesis conditions according to the previous researches. Na-rich PBAs, NaxM[Fe(CN)6]·nH2O where M = Mn, Fe, Co, and Ni, are prepared via precipitation method under the same condition. The structure, chemical composition, morphology, valence of the transition metals, and electrochemical property of these samples are comparatively researched. The PBA with Mn shows large reversible capacity of 126 mAh g-1 in 2.0-4.2 V at a current density of 30 mA g-1 and the highest working voltage owning to high redox potential of Mn2+/3+ in MnN6 and Fe2+/3+ in FeC6. While, the PBA with Ni exhibits the best cyclability and rate performance though only 66 mAh g-1 is delivered. The significant differences in electrochemical behaviors of the PBAs originate from the various properties depending on different transition metals.
The first Fe-based Na+-ion cathode with two distinct types of polyanions: Fe 3P 5SiO 19
Kan, W. H.; Huq, A.; Manthiram, A.
2015-05-15
We report the synthesis, structure, and electrochemistry of the first Na +-ion cathode with two distinct types of polyanions: Fe 3P 5SiO 19. The Fe-based cathode has a reversible capacity of ca. 70 mAh g -1; ca. 1.7 Na + ions per formula can be inserted/extracted at an average voltage of 2.5 V versus Na +/Na.
Mechanically - induced disorder in CaFe2As2: a 57Fe Mössbauer study
NASA Astrophysics Data System (ADS)
Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; Bud'Ko, Sergey L.
57 Fe Mössbauer spectroscopy was used to study an extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the antiferromagnetic/orthorhombic phase, compared to a sharp sextet Mössbauer spectrum of single crystal CaFe2As2, which is taken as an un-strained sample, an obviously broadened sextet and an extra doublet were observed for ground CaFe2As2 powders with different degrees of strain. The Mössbauer results suggest that the magnetic phase transition of CaFe2As2 can be inhomogeneously suppressed by the grinding induced strain to such an extent that the antiferromagnetic order in parts of the grains forming the powdered sample remain absent all the way down to 4.6 K. However, strain has almost no effect on the temperature dependent hyperfine magnetic field in the grains with magnetic order. The quadrupole shift in the magnetic phase approachs zero with increasing degrees of strain, indicating that the strain reduces the average lattice asymmetry at Fe atom position. Supported by US DOE under the Contract No. DE-AC02-07CH11358 and by the China Scholarship Council.
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.
Optical and Luminescence Properties of β-NaFeO2 Nanoparticles
NASA Astrophysics Data System (ADS)
Singh, Sarbjit; Tangra, Ankush Kumar; Lotey, Gurmeet Singh
2018-05-01
β-NaFeO2 nanoparticles have been synthesized by sol-gel method and their morphological, structural and optical properties investigated. Transmission electron microscope study reveals that the size of the synthesis nanoparticles is 37 nm and they are possessing spherical symmetry. X-ray diffraction pattern shows the orthorhombic crystal structure of nanoparticles with space group Pn21 a. UV-visible spectra of β-NaFeO2 divulges that these nanoparticles have direct band gap 2.35 eV. The observed Fourier transform infrared spectroscopy spectra confirms the presence of Fe-Na bonding at 1074 cm-1. The photoluminescence study of these nanoparticles shows that these nanoparticles possesses various transition in the visible spectrum.
New double molybdate Na9Fe(MoO4)6: Synthesis, structure, properties
NASA Astrophysics Data System (ADS)
Savina, Aleksandra A.; Solodovnikov, Sergey F.; Basovich, Olga M.; Solodovnikova, Zoya A.; Belov, Dmitry A.; Pokholok, Konstantin V.; Gudkova, Irina A.; Stefanovich, Sergey Yu.; Lazoryak, Bogdan I.; Khaikina, Elena G.
2013-09-01
A new double molybdate Na9Fe(MoO4)6 was synthesized using solid state reactions and studied with X-ray powder diffraction, second harmonic generation (SHG) technique, differential scanning calorimetry, X-ray fluorescence analysis, Mössbauer and dielectric impedance spectroscopy. Single crystals of Na9Fe(MoO4)6 were obtained and its structure was solved (the space group R3¯, a=14.8264(2), c=19.2402(3) Å, V=3662.79(9) Å3, Z=6, R=0.0132). The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)3. The basic structure units are polyhedral clusters composed of central FeО6 octahedron sharing edges with three Na(1)О6 octahedra. The clusters share common vertices with bridging МоО4 tetrahedra to form an open 3D framework where the cavities are occupied by Na(2) and Na(3) atoms. The compound melts incongruently at 904.7±0.2 K. Arrhenius type temperature dependence of electric conductivity σ has been registered in solid state (σ=6.8×10-2 S сm-1 at 800 K), thus allowing considering Na9Fe(MoO4)6 as a new sodium ion conductor.
Strong magnon-phonon coupling in NaFeAs studied by neutron scattering
NASA Astrophysics Data System (ADS)
Li, Yu; Yamani, Zahra; Song, Yu; Zhang, Chenglin; Dai, Pengcheng
We carried on inelastic neutron scattering experiment on the triple axis spectrometer in CNBC in Chalk River. We measured both the phonon and magnon in NaFeAs single crystals and their temperature dependence. Since structural transition temperature (TS) and the magnetic transition temperature (T N) are well separated in NaFeAs, it provides us an unique chance to exclude the consequence or magnetic order and focus on the so called nematic phase. As the previous paper on BaFe2As2, we observed the strong phonon softening nearby the structural transition temperature at very small q (q<0.1). This makes the phonon in NaFeAs deviate from the classical linear dispersion relationship for acoustic phonons. Besides the phonon softening, we also observe phonon hardening at a larger q range when the temperature goes down. This is accompanied by the stiffening of the magnons which can be represented by the linewidth of the low energy magnetic peaks. Our results suggest that there is strong coupling between the phonons and magnons in NaFeAs.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gao, Jing; Huang, Weifeng; Qin, Shan
Alluaudites are promising electrochemical materials benefited from the open structure. Structural variations of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) system have been studied by synchrotron radiation X-ray diffraction combined with diamond anvil cell technique up to ~10 GPa at room temperature. No phase transition is observed. The excellent structural stability is mainly due to the flexible framework plus strong covalent P-O bond. Mn{sup 2+} instead of Fe can be described as Na{sup +}+2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy. The replacement of Fe with larger Mn{sup 2+} is equivalentmore » to applying negative chemical pressure to the material. And it causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe. External pressure effect produces anisotropic lattice shrinkage. Structural considerations related to these variations and promising application prospects are discussed. - Graphical abstract: Figure 1 The crystal structure of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) projected along the c-axis. Alluaudites adopt a flexible framework plus strong covalent P-O bond, which contribute to excellent structural stability up to ~10 GPa. Mn{sup 2+} instead of Fe can be described as Na{sup ++}2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy, and it is equivalent to applying negative chemical pressure to the host. The substitution causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Todorov, I.; Chung, D. Y.; Claus, H.
2010-07-13
We report experimental evidence that shows superconductivity in NaFeAs occurs when it is Na deficient. The oxidation of NaFeAs progresses differently in water and in air. In water the material oxidizes slowly and slightly retaining the original anti-PbFCl structure. In air NaFeAs oxidizes topotactically quickly and extensively transforming to the ThCr{sub 2}Si{sub 2} structure type. Water acts as a mild oxidizing agent on the FeAs layer by extracting electrons and Na{sup +} cations from the structure, while oxidation in air is more extensive and leads to change in structure type from NaFeAs to NaFe{sub 2}As{sub 2}. The superconducting transition temperaturemore » moves dramatically during the oxidation process. Exposed to water for an extended time period NaFeAs shows a substantial increase in T{sub c} up to 25 K with contraction of unit cell volume. NaFe{sub 2}As{sub 2}, the air oxidized product, shows T{sub c} of 12 K. We report detailed characterization of the redox chemistry and transformation of NaFeAs in water and air using single crystal and powder X-ray diffraction, magnetization studies, transmission electron microscopy, Moessbauer spectroscopy, pOH and elemental analysis.« less
Influence of Sporadic E layers on Mesospheric Na and Fe Layers over Arecibo
NASA Astrophysics Data System (ADS)
Raizada, S.; Tepley, C. A.; Zhou, Q.; Sarkhel, S.; Mathews, J. D.; Aponte, N.; Kerr, R.
2014-12-01
Arecibo offers unique opportunity to investigate the structure of the mesospheric metal layers and their response to Sporadic E as observed by the incoherent scatter radar data. Previous studies have shown higher occurrences of sporadic activity in the neutral Fe layers as compared to Na at mid-latitudes. Other studies demonstrated that Sporadic Na (NaS) layers are more common at low and high latitudes as compared to FeS. It is important to note that case studies based on a few nights of observations are significant as they can shed more light on factors that are important on short term scales. These efforts can also help in evaluation of the role played by these factors in the climatological or global studies. In this study, we have used two adjacent nights of simultaneous Na and Fe data obtained using resonance lidars at Arecibo, while the co-located Incoherent Scatter Radar (ISR) provides information about Sporadic E (ES). On both the nights (17 and 18 March 2004) ES was observed with electron densities exceeding 3000 electrons/cc. Some interesting observations are worth noting: The Fe main layer (below 90 km) was stronger than the corresponding sporadic layer around 95 km. However, Na data displayed a weaker main layer below 90 km with stronger NaS activity. Hence, the ratio of densities determined within layers of 3 km thickness centered at 97 km and at 87 km are less than 1 for Fe and exceeds 1 in the case of Na. A correlation analysis between Na/Ne and Fe/Ne also displays dissimilarities in the 94-100 km altitude range. An onsite all-sky imager recorded similar wave activities on both the nights with both ripple and band type structures that were observed in the 557.7 nm airglow. We will discuss the dissimilar response of Na and Fe to Sporadic E activity in relation to neutralization lifetimes of their respective ions and their sensitivity to temperatures.
On magnetic structure of CuFe 2Ge 2: Constrains from the 57Fe Mössbauer spectroscopy
Bud’ko, Sergey L.; Jo, Na Hyun; Downing, Savannah S.; ...
2017-09-20
57Fe Mössbauer spectroscopy measurements were performed on a powdered CuFe 2Ge 2 sample that orders antiferromagnetically at ~175 K. Whereas a paramagnetic doublet was observed above the Néel temperature, a superposition of paramagnetic doublet and magnetic sextet (in approximately 0.5:0.5 ratio) was observed in the magnetically ordered state, suggesting a magnetic structure similar to a double-Q spin density wave with half of the Fe paramagnetic and another half bearing static moment of ~0.5–1μ B. Lastly, these results call for a re-evaluation of the recent neutron scattering data and band structure calculations, as well as for deeper examination of details ofmore » sample preparation techniques.« less
Batteries: An Advanced Na-FeCl2 ZEBRA Battery for Stationary Energy Storage Application
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Guosheng; Lu, Xiaochuan; Kim, Jin Yong
2015-06-17
Sodium-metal chloride batteries, ZEBRA, are considered as one of the most important electrochemical devices for stationary energy storage applications because of its advantages of good cycle life, safety, and reliability. However, sodium-nickel chloride (Na-NiCl2) batteries, the most promising redox chemistry in ZEBRA batteries, still face great challenges for the practical application due to its inevitable feature of using Ni cathode (high materials cost). In this work, a novel intermediate-temperature sodium-iron chloride (Na-FeCl2) battery using a molten sodium anode and Fe cathode is proposed and demonstrated. The first use of unique sulfur-based additives in Fe cathode enables Na-FeCl2 batteries can bemore » assembled in the discharged state and operated at intermediate-temperature (<200°C). The results in this work demonstrate that intermediate-temperature Na-FeCl2 battery technology could be a propitious solution for ZEBRA battery technologies by replacing the traditional Na-NiCl2 chemistry.« less
Robust diamond-like Fe-Si network in the zero-strain Na xFeSiO 4 cathode
Ye, Zhuo; Zhao, Xin; Li, Shouding; ...
2016-07-14
Sodium orthosilicates Na 2 MSiO 4 ( M denotes transition metals) have attracted much attention due to the possibility of exchanging two electrons per formula unit. In this work, we report a group of sodium iron orthosilicates Na 2FeSiO 4. Their crystal structures are characterized by a diamond-like Fe-Si network. The Fe-Si network is quite robust against the charge/discharge process, which explains the high structural stability observed in experiment. Furthermore, using the density functional theory within the GGA + U framework and X-ray diffraction studies, the crystal structures and structural stabilities during the sodium extraction/re-insertion process are systematically investigated.
Phase diagram and neutron spin resonance of superconducting NaFe 1 - x Cu x As
Tan, Guotai; Song, Yu; Zhang, Rui; ...
2017-02-03
In this paper, we use transport and neutron scattering to study the electronic phase diagram and spin excitations of NaFe 1-xCu xAs single crystals. Similar to Co- and Ni-doped NaFeAs, a bulk superconducting phase appears near x≈2% with the suppression of stripe-type magnetic order in NaFeAs. Upon further increasing Cu concentration the system becomes insulating, culminating in an antiferromagnetically ordered insulating phase near x≈50%. Using transport measurements, we demonstrate that the resistivity in NaFe 1-xCu xAs exhibits non-Fermi-liquid behavior near x≈1.8%. Our inelastic neutron scattering experiments reveal a single neutron spin resonance mode exhibiting weak dispersion along c axis inmore » NaFe 0.98Cu 0.02As. The resonance is high in energy relative to the superconducting transition temperature T c but weak in intensity, likely resulting from impurity effects. These results are similar to other iron pnictides superconductors despite that the superconducting phase in NaFe 1-xCu xAs is continuously connected to an antiferromagnetically ordered insulating phase near x≈50% with significant electronic correlations. Finally, therefore, electron correlations is an important ingredient of superconductivity in NaFe 1-xCu xAs and other iron pnictides.« less
NASICON-related Na3.4Mn0.4Fe1.6(PO4)3
Yatskin, Michael M.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.
2012-01-01
The solid solution, sodium [iron(III)/manganese(II)] tris(orthophosphate), Na3.4Mn0.4Fe1.6(PO4)3, was obtained using a flux method. Its crystal structure is related to that of NASICON-type compounds. The [(Mn/Fe)2(PO4)3] framework is built up from an (Mn/Fe)O6 octahedron (site symmetry 3.), with a mixed Mn/Fe occupancy, and a PO4 tetrahedron (site symmetry .2). The Na+ cations are distributed over two partially occupied sites in the cavities of the framework. One Na+ cation (site symmetry -3.) is surrounded by six O atoms, whereas the other Na+ cation (site symmetry .2) is surrounded by eight O atoms. PMID:22807697
NASA Astrophysics Data System (ADS)
Thangaraju, Dheivasigamani; Santhana, Vedi; Matsuda, Satoshi; Hayakawa, Yasuhiro
2018-05-01
Hexagonal NaYF4:Yb:Er:Tm@NaGdF4 core-shell nanocrystals were synthesized using a seed mediated hot injection method, and monodispersed Fe3O4 (4 nm) nanoparticles were prepared from iron(II) actylacetonate by a precursor thermal decomposition method. Structural and morphology verified NaYF4:Yb:Er:Tm@NaGdF4 and Fe3O4 nanoparticles were utilized for the preparation of NaYF4:Yb:Er:Tm@NaGdF4/Fe3O4@SiO2 nanocomposite using a micro-emulsion method. Existence of Fe3O4 in NaYF4:Yb:Er:Tm@NaGdF4 in SiO2 nano-spheres were confirmed with transmission electron microscopy. Luminescence measurement revealed that NaYF4:Yb:Er:Tm@NaGdF4 exhibited strong emissions at green and red regions, in addition to a weak blue emission also observed under 980 nm excitation. Up-conversion emission of the nanoparticle-embedded silica nanocomposite showed that the up-conversion emission was not affected by Fe3O4 nanoparticles.
NASA Astrophysics Data System (ADS)
Hwang, Jinkwang; Matsumoto, Kazuhiko; Orikasa, Yuki; Katayama, Misaki; Inada, Yasuhiro; Nohira, Toshiyuki; Hagiwara, Rika
2018-02-01
Maricite NaFePO4 (m-NaFePO4) was investigated as a positive electrode material for intermediate-temperature operation of sodium secondary batteries using ionic liquid electrolytes. Powdered m-NaFePO4 was prepared by a conventional solid-state method at 873 K and subsequently fabricated in two different conditions; one is ball-milled in acetone and the other is re-calcined at 873 K after the ball-milling. Electrochemical properties of the electrodes prepared with the as-synthesized m-NaFePO4, the ball-milled m-NaFePO4, and the re-calcined m-NaFePO4 were investigated in Na[FSA]-[C2C1im][FSA] (C2C1im+ = 1-ethyl-3-methylimidazolium, FSA- = bis(fluorosulfonyl)amide) ionic liquid electrolytes at 298 K and 363 K to assess the effects of temperature and particle size on their electrochemical properties. A reversible charge-discharge capacity of 107 mAh g-1 was achieved with a coulombic efficiency >98% from the 2nd cycle using the ball-milled m-NaFePO4 electrode at a C-rate of 0.1 C and 363 K. Electrochemical impedance spectroscopy using m-NaFePO4/m-NaFePO4 symmetric cells indicated that inactive m-NaFePO4 becomes an active material through ball-milling treatment and elevation of operating temperature. X-ray diffraction analysis of crystalline m-NaFePO4 confirmed the lattice contraction and expansion upon charging and discharging, respectively. These results indicate that the desodiation-sodiation process in m-NaFePO4 is reversible in the intermediate-temperature range.
Study of 57Fe Mössbauer effect in RFe 2Zn 20 ( R = Lu, Yb, Gd)
Bud’ko, Sergey L.; Kong, Tai; Ma, Xiaoming; ...
2015-08-04
In this document we report measurements of 57Fe Mössbauer spectra for RFe 2Zn 20 ( R = Lu, Yb, Gd) from ~ 4.5 K to room temperature. The obtained isomer shift values are very similar for all three compounds, their temperature dependence was analyzed within the Debye model and resulted in an estimate of the Debye temperatures of 450-500 K. The values of quadrupole splitting at room temperature change with the cubic lattice constant a in a linear fashion. For GdFe 2Zn 20, ferromagnetic order is seen as an appearance of a sextet in the spectra. The 57Fe site hyperfinemore » field for T → 0 was evaluated to be ~ 2.4 T.« less
Test of level density models from reactions of Li6 on Fe58 and Li7 on Fe57
NASA Astrophysics Data System (ADS)
Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D. E.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J. E.; Schiller, A.
2009-09-01
The reactions of Li6 on Fe58 and Li7 on Fe57 have been studied at 15 MeV beam energy. These two reactions produce the same compound nucleus, Cu64. The charged particle spectra were measured at backward angles. The data obtained have been compared with Hauser-Feshbach model calculations. The level density parameters of Ni63 and Co60 have been obtained from the particle evaporation spectra. We also find contributions from the break up of the lithium projectiles to the low energy region of the α spectra.
IMF and [Na/Fe] abundance ratios from optical and NIR spectral features in early-type galaxies
NASA Astrophysics Data System (ADS)
La Barbera, F.; Vazdekis, A.; Ferreras, I.; Pasquali, A.; Allende Prieto, C.; Röck, B.; Aguado, D. S.; Peletier, R. F.
2017-01-01
We present a joint analysis of the four most prominent sodium-sensitive features (Na D, Na I λ8190Å, Na I λ1.14 μm, and Na I λ2.21 μm), in the optical and near-infrared spectral ranges, of two nearby, massive (σ ˜ 300 km s-1), early-type galaxies (named XSG1 and XSG2). Our analysis relies on deep Very Large Telescope/X-Shooter long-slit spectra, along with newly developed stellar population models, allowing for [Na/Fe] variations, up to ˜1.2 dex, over a wide range of age, total metallicity, and initial mass function (IMF) slope. The new models show that the response of the Na-dependent spectral indices to [Na/Fe] is stronger when the IMF is bottom heavier. For the first time, we are able to match all four Na features in the central regions of massive early-type galaxies finding an overabundance of [Na/Fe] in the range 0.5-0.7 dex and a bottom-heavy IMF. Therefore, individual abundance variations cannot be fully responsible for the trends of gravity-sensitive indices, strengthening the case towards a non-universal IMF. Given current limitations of theoretical atmosphere models, our [Na/Fe] estimates should be taken as upper limits. For XSG1, where line strengths are measured out to ˜0.8 Re, the radial trend of [Na/Fe] is similar to [α/Fe] and [C/Fe], being constant out to ˜0.5 Re, and decreasing by ˜0.2-0.3 dex at ˜0.8 Re, without any clear correlation with local metallicity. Such a result seems to be in contrast to the predicted increase of Na nucleosynthetic yields from asymptotic giant branch stars and Type II supernovae. For XSG1, the Na-inferred IMF radial profile is consistent, within the errors, with that derived from TiO features and the Wing-Ford band presented in a recent paper.
Sodium intercalation in the phosphosulfate cathode NaFe2(PO4)(SO4)2
NASA Astrophysics Data System (ADS)
Ben Yahia, Hamdi; Essehli, Rachid; Amin, Ruhul; Boulahya, Khalid; Okumura, Toyoki; Belharouak, Ilias
2018-04-01
The compound NaFe2(PO4)(SO4)2 is successfully synthesized via a solid state reaction route and its crystal structure is determined using powder X-ray diffraction data. NaFe2(PO4)(SO4)2 phase is also characterized by cyclic voltammetry, galvanostatic cycling and electrochemical impedance spectroscopy. NaFe2(PO4)(SO4)2 crystallizes with the well-known NASICON-type structure. SAED and HRTEM experiments confirm the structural model, and no ordering between the PO4-3 and SO4-2 polyanions is detected. The electrochemical tests indicate that NaFe2(PO4)(SO4)2 is a 3 V sodium intercalating cathode. The electrical conductivity is relatively low (2.2 × 10-6 Scm-1 at 200 °C) and the obtained activation energy is ∼0.60eV. The GITT experiments indicate that the diffusivity values are in the range of 10-11-10-12 cm2/s within the measured sodium concentrations.
57Fe Mössbauer study of the asbestiform silicates balangeroite and carlosturanite
NASA Astrophysics Data System (ADS)
Deriu, Antonio; Ferraris, Giovanni; Belluso, Elena
1994-08-01
57FeMössbauer spectra of the two silicate minerals balangeroite (BAL) and carlosturanite (CST) have been collected at 80 and 295 K under normal and magic angle geometry. For both minerals the spectra have been fitted with two ferrous and two ferric doublets; Fe2+ accounts for 80 and 62% of Fetot in Bal and CST, respectively. The number of doublets used to fit the spectra supports the hypotheses that: (i) in the serpentine-like structure of CST iron occupies only octahedra which lie between the tetrahedral silicate strips; (ii) the octahedral framework of BAL (actually monoclinic) is satisfactorily described with an orthorhombic sub-cell.
Na1.25Ni1.25Fe1.75(PO4)3 nanoparticles as a janus electrode material for Li-ion batteries
NASA Astrophysics Data System (ADS)
Karegeya, Claude; Mahmoud, Abdelfattah; Hatert, Frédéric; Vertruyen, Bénédicte; Cloots, Rudi; Lippens, Pierre-Emmanuel; Boschini, Frédéric
2018-06-01
A solvothermal method was used to prepare Na1.25Ni1.25Fe1.75(PO4)3 nanoparticles, a new promising electrode material for lithium-ion batteries. The composition and the crystal structure were determined by 57Fe Mössbauer spectroscopy and powder X-ray diffraction Rietveld refinements and confirmed by magnetic measurements. The structural formula □0.75Na1.25Ni1.25Fe1.75(PO4)3 was obtained showing a significant amount of Na vacancies, which enhances Li diffusion. Na1.25Ni1.25Fe1.75(PO4)3 was used as negative and positive electrode material and shows excellent electrochemical performances. As negative electrode in the voltage range 0.03-3.5 V vs. Li+/Li, the first discharge at current density of 40 mA g-1 delivers a specific capacity of 1186 mAh g-1, which is almost three times its theoretical capacity (428 mAh g-1). Then, reversible capacity of 550 mAh g-1 was obtained at 50 mA g-1 with high rate capability (150 mAh g-1 at 500 mA g-1) and capacity retention of 350 cycles. As positive electrode material, specific capacities of about 145 and 99 mAh g-1 were delivered at current densities of 5 and 50 mA g-1, respectively, in the voltage range of 1.5-4.5 V vs. Li+/Li. In addition, we show that the use of solvothermal synthesis contributes to the synthesis of small sized particles leading to good electrochemical performances.
Electron doping evolution of the magnetic excitations in NaFe 1-xCo xAs
Carr, Scott V.; Zhang, Chenglin; Song, Yu; ...
2016-06-13
We use time-of-flight (TOF) inelastic neutron scattering (INS) spectroscopy to investigate the doping dependence of magnetic excitations across the phase diagram of NaFe 1-xCo xAs with x = 0, 0.0175, 0.0215, 0.05, and 0.11. The effect of electron-doping by partially substituting Fe by Co is to form resonances that couple with superconductivity, broaden and suppress low energy (E 80 meV) spin excitations compared with spin waves in undoped NaFeAs. However, high energy (E > 80 meV) spin excitations are weakly Co-doping dependent. Integration of the local spin dynamic susceptibility "(!) of NaFe 1-xCo xAs reveals a total fluctuating moment ofmore » 3.6 μ2 B/Fe and a small but systematic reduction with electron doping. The presence of a large spin gap in the Cooverdoped nonsuperconducting NaFe0.89Co0.11As suggests that Fermi surface nesting is responsible for low-energy spin excitations. These results parallel Ni-doping evolution of spin excitations in BaFe 2-xNi xAs 2, confirming the notion that low-energy spin excitations coupling with itinerant electrons are important for superconductivity, while weakly doping dependent high-energy spin excitations result from localized moments.« less
NASA Astrophysics Data System (ADS)
Gainov, R. R.; Vagizov, F. G.; Golovanevskiy, V. A.; Ksenofontov, V. A.; Klingelhöfer, G.; Klekovkina, V. V.; Shumilova, T. G.; Pen'kov, I. N.
2014-04-01
Nuclear resonance methods, including Mössbauer spectroscopy,are considered as unique techniques suitable for remote on-line mineralogical analysis. The employment of these methods provides potentially significant commercial benefits for mining industry. As applied to copper sulfide ores, Mössbauer spectroscopy method is suitable for the analysis noted. Bornite (formally Cu5FeS4) is a significant part of copper ore and identification of its properties is important for economic exploitation of commercial copper ore deposits. A series of natural bornite samples was studied by 57Fe Mössbauer spectroscopy. Two aspects were considered: reexamination of 57Fe Mössbauer properties of natural bornite samples and their stability irrespective of origin and potential use of miniaturized Mössbauer spectrometers MIMOS II for in-situ bornite identification. The results obtained show a number of potential benefits of introducing the available portative Mössbauer equipment into the mining industry for express mineralogical analysis. In addition, results of some preliminary 63,65Cu nuclear quadrupole resonance (NQR) studies of bornite are reported and their merits with Mössbauer techniques for bornite detection discussed.
Nuclear resonance reflectivity from a [57Fe/Cr]30 multilayer with the Synchrotron Mössbauer Source.
Andreeva, Marina A; Baulin, Roman A; Chumakov, Aleksandr I; Rüffer, Rudolf; Smirnov, Gennadii V; Babanov, Yurii A; Devyaterikov, Denis I; Milyaev, Mikhail A; Ponomarev, Dmitrii A; Romashev, Lazar N; Ustinov, Vladimir V
2018-03-01
Mössbauer reflectivity spectra and nuclear resonance reflectivity (NRR) curves have been measured using the Synchrotron Mössbauer Source (SMS) for a [ 57 Fe/Cr] 30 periodic multilayer, characterized by the antiferromagnetic interlayer coupling between adjacent 57 Fe layers. Specific features of the Mössbauer reflectivity spectra measured with π-polarized radiation of the SMS near the critical angle and at the `magnetic' maximum on the NRR curve are analyzed. The variation of the ratio of lines in the Mössbauer reflectivity spectra and the change of the intensity of the `magnetic' maximum under an applied external field has been used to reveal the transformation of the magnetic alignment in the investigated multilayer.
An 57Fe Mössbauer study of three Australian L5 ordinary-chondrite meteorites: dating Kinclaven-001
NASA Astrophysics Data System (ADS)
Cadogan, J. M.; Rebbouh, L.; Mills, J. V. J.; Bland, P. A.
2013-12-01
Three L5-type ordinary chondrite meteorites recovered from the Nullarbor Region of Western Australia were studied by 57Fe Mössbauer spectroscopy: Kinclaven-001, Camel Donga-007 and Gunnadorah-002. The relative amounts of the various Fe-bearing phases including the primary minerals (Olivine, Pyroxene, Troilite and Fe-Ni metal) and the ferric alteration products (Goethite, Maghemite/Magnetite) were obtained to determine the percentage of iron converted to Fe3 + by weathering processes. These data allow us to estimate the terrestrial age of Kinclaven-001 at 1,700 ± 1,300 yrs.
Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed
2014-01-01
The title compound, lithium/sodium iron(III) bis[orthomolybdate(VI)], was obtained by a solid-state reaction. The main structure units are an FeO6 octahedron, a distorted MoO6 octahedron and an MoO4 tetrahedron sharing corners. The crystal structure is composed of infinite double MoFeO11 chains along the b-axis direction linked by corner-sharing to MoO4 tetrahedra so as to form Fe2Mo3O19 ribbons. The cohesion between ribbons via mixed Mo—O—Fe bridges leads to layers arranged parallel to the bc plane. Adjacent layers are linked by corners shared between MoO4 tetrahedra of one layer and FeO6 octahedra of the other layer. The Na+ and Li+ ions partially occupy the same general position, with a site-occupancy ratio of 0.631 (9):0.369 (1). A comparison is made with AFe(MoO4)2 (A = Li, Na, K and Cs) structures. PMID:24764805
Charge dynamics of 57Fe probe atoms in La2Li0.5Cu0.5O4
NASA Astrophysics Data System (ADS)
Presniakov, I. A.; Sobolev, A. V.; Rusakov, V. S.; Moskvin, A. S.; Baranov, A. V.
2018-06-01
The objective of this study is to characterize the electronic state and local surrounding of 57Fe Mössbauer probe atoms within iron-doped layered perovskite La2Li0.5Cu0.5O4 containing transition metal in unusual formal oxidation states "+3". An approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that a large amount of charge is transferred via Cu-O bonds from the O: 2p bands to the Cu: 3d orbitals and the ground state is dominated by the d9L configuration ("Cu2+-O-" state). The dominant d9L ground state for the (CuO6) sublattice induces in the environment of the 57Fe probe cations a charge transfer Fe3+ + O-(L) → Fe4+ + O2-, which transforms "Fe3+" into "Fe4+" state. The experimental spectra in the entire temperature range 77-300 K were described with the use of the stochastic two-level model based on the assumption of dynamic equilibrium between two Fe3+↔Fe4+ valence states related to the iron atom in the [Fe(1)O4]4- center. The relaxation frequencies and activation energies of the corresponding charge fluctuations were estimated based on Mössbauer data. The results are discussed assuming a temperature-induced change in the electronic state of the [CuO4]5- clusters in the layered perovskite.
NASA Astrophysics Data System (ADS)
Kitazawa, Takafumi; Kishida, Takanori; Kawasaki, Takeshi; Takahashi, Masashi
2017-11-01
We have prepared the 2D spin crossover complexes Fe(L)2Pd(CN)4 (L = py : 1a; py-D5 : 1b and py-15N : 1c). 1a has been characterised by 57Fe Mossbauer spectroscopic measurements, single crystal X-ray determination and SQUID measurements. The Mössbauer spectra for 1a indicate that the iron(II) spin states are in high spin states at 298 K and are in low spin states at 77 K. The crystal structures of 1a at 298 K and 90 K also show the high spin state and the low spin state respectively, associated with the Fe(II)-N distances. The spin transition temperature range of 1a is higher than that of Fe(py)2Ni(CN)4 since Pd(II) ions are larger and heavier than Ni(II) ions. SQUID data indicate isotope effects among 1a, 1b and 1c are observed in very small shifts of the transition temperatures probably due to larger and heavier Pd(II) ions. The delicate shifts would be associated with subtle balances between different vibrations around Fe(II) atoms and electronic factors.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Saracibar, A.; Carrasco, J.; Saurel, D.
Olivine NaFePO4 has recently attracted the attention of the scientific community as a promising cathode material for Na-ion batteries. In this work we combine density functional theory (DFT) calculations and high resolution synchrotron X-ray diffraction (HRXRD) experiments to study the phase stability of NaxFePO4 along the whole range of sodium compositions (0 ≤ x ≤ 1). DFT calculations reveal the existence of two intermediate structures governing the phase stability at x = 2/3 and x = 5/6. This is in contrast to isostructural LiFePO4, which is a broadly used cathode in Li-ion batteries. Na2/3FePO4 and Na5/6FePO4 ground states both alignmore » vacancies diagonally within the ab plane, coupled to a Fe2+/Fe3+ alignment. HRXRD data for NaxFePO4 (2/3 < x < 1) materials show common superstructure reflections up to x = 5/6 within the studied compositions. The computed intercalation voltage profile shows a voltage difference of 0.16 V between NaFePO4 and Na2/3FePO4 in agreement with the voltage discontinuity observed experimentally during electrochemical insertion.« less
NASA Astrophysics Data System (ADS)
Trávníček, Zdeněk; Herchel, Radovan; Mikulík, Jiří; Zbořil, Radek
2010-05-01
Three heterobimetallic cyanido-bridged copper(II) nitroprusside-based complexes of the compositions [Cu(tet)Fe(CN) 5NO]·H 2O ( 1), where tet= N,N' -bis(3-aminopropyl)ethylenediamine, [Cu(hto)Fe(CN) 5NO]·2H 2O ( 2), where hto=1,3,6,9,11,14-hexaazatricyclo[12.2.1.1 6,9]octadecane and [Cu(nme) 2Fe(CN) 5NO]·H 2O ( 3), where nme= N-methylethylenediamine, were synthesized and characterized by elemental analyses, 57Fe Mössbauer and FTIR spectroscopies, thermal analysis, magnetic measurements and single-crystal X-ray analysis. The products of thermal degradation processes of 2 and 3 were studied by XRD, 57Fe Mössbauer spectroscopy, SEM and EDS, and they were identified as mixtures of CuFe 2O 4 and CuO.
Magnetic properties of superparamagnetic β-NaFeO2 nanoparticles
NASA Astrophysics Data System (ADS)
Singh, Sarbjit; Tovstolytkin, Alexandr; Lotey, Gurmeet Singh
2018-07-01
Superparamagnetic β-NaFeO2 nanoparticles of particle size 37 nm with orthorhombic crystal structure and space group Pn21a have been prepared by sol-gel method. Temperature dependent magnetic study has been performed. Its systematic analysis has been done to calculate the Curie and blocking temperatures along with its magnetic susceptibility. The Langevin fitting of the magnetic data has been carried out. It has been shown that the synthesized nanoparticles exhibit superparamagnetic behavior. The Neel's relaxation time has been calculated to further support its superparamagnetic nature. The synthesized β-NaFeO2 nanoparticles behave like ferromagnets below 80 K; they are superparamagnetic above 80 K-340 K and thereafter as paramagnetic. The possible mechanism of superparamagnetism has been discussed. It has been concluded that these nanoparticles can find wide applications in the area of biomedical sciences.
Structure and properties of α-NaFeO{sub 2}-type ternary sodium iridates
DOE Office of Scientific and Technical Information (OSTI.GOV)
Baroudi, Kristen, E-mail: kbaroudi@princeton.edu; Yim, Cindi; Wu, Hui
2014-02-15
The synthesis, structure, and elementary magnetic and electronic properties are reported for layered compounds of the type Na{sub 3−x}MIr{sub 2}O{sub 6} and Na{sub 3−x}M{sub 2}IrO{sub 6}, where M is a transition metal from the 3d series (M=Zn, Cu, Ni, Co, Fe and Mn). The rhombohedral structures, in space group R−3m, were determined by refinement of neutron and synchrotron powder diffraction data. No clear evidence for long range 2:1 or 1:2 honeycomb-like M/Ir ordering was found in the neutron powder diffraction patterns except in the case of M=Zn, and thus in general the compounds are best designated as sodium deficient α-NaFeO{submore » 2}-type phases with formulas Na{sub 1−x}M{sub 1/3}Ir{sub 2/3}O{sub 2} or Na{sub 1−x}M{sub 2/3}Ir{sub 1/3}O{sub 2}. Synchrotron powder diffraction patterns indicate that several of the compounds likely have honeycomb in-plane metal–iridium ordering with disordered stacking of the layers. All the compounds are sodium deficient under our synthetic conditions and are black and insulating. Weiss constants derived from magnetic susceptibility measurements indicate that Na{sub 0.62}Mn{sub 0.61}Ir{sub 0.39}O{sub 2}, Na{sub 0.80}Fe{sub 2/3}Ir{sub 1/3}O{sub 2}, Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2}, Na{sub 0.86}Cu{sub 1/3}Ir{sub 2/3}O{sub 2}, and Na{sub 0.89}Zn{sub 1/3}Ir{sub 2/3}O{sub 2} display dominant antiferromagnetic interactions. For Na{sub 0.90}Co{sub 1/3}Ir{sub 2/3}O{sub 2} the dominant magnetic interactions at low temperature are ferromagnetic while at high temperatures they are antiferromagnetic; there is also a change in the effective moment. Low temperature specific heat measurements (to 2 K) on Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2} indicate the presence of a broad magnetic ordering transition. X-ray absorption spectroscopy shows that iridium is at or close to the 4+ oxidation state in all compounds. {sup 23}Na nuclear magnetic resonance measurements comparing Na{sub 2}IrO{sub 3} to Na{sub 0.92}Ni{sub 1
NASA Astrophysics Data System (ADS)
Kamnev, Alexander A.; Tugarova, Anna V.; Kovács, Krisztina; Biró, Borbála; Homonnay, Zoltán; Kuzmann, Ernő
2014-04-01
Preliminary 57Fe transmission Mössbauer spectroscopic data were obtained for the first time for live cells of the plant-growth-promoting rhizobacterium Azospirillum brasilense (wild-type strain Sp245) grown aerobically with 57FeIII-nitrilotriacetate (NTA) complex as a sole source of iron. The results obtained have shown that live cells actively reduce part of the assimilated iron(III) to iron(II), the latter amounting up to 33 % of total cellular iron after 18 h of growth, and 48 % after additional 3 days of storage of the dense wet cell suspension in nutrient-free saline solution in air at room temperature (measured at 80 K). The cellular iron(II) was found to be represented by two quadrupole doublets of different high-spin forms, while the parameters of the cellular iron(III) were close to those typical for bacterioferritins.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Travnicek, Zdenek, E-mail: zdenek.travnicek@upol.c; Herchel, Radovan; Mikulik, Jiri
2010-05-15
Three heterobimetallic cyanido-bridged copper(II) nitroprusside-based complexes of the compositions [Cu(tet)Fe(CN){sub 5}NO].H{sub 2}O (1), where tet=N,N'-bis(3-aminopropyl)ethylenediamine, [Cu(hto)Fe(CN){sub 5}NO].2H{sub 2}O (2), where hto=1,3,6,9,11,14-hexaazatricyclo[12.2.1.1{sup 6,9}]octadecane and [Cu(nme){sub 2}Fe(CN){sub 5}NO].H{sub 2}O (3), where nme=N-methylethylenediamine, were synthesized and characterized by elemental analyses, {sup 57}Fe Moessbauer and FTIR spectroscopies, thermal analysis, magnetic measurements and single-crystal X-ray analysis. The products of thermal degradation processes of 2 and 3 were studied by XRD, {sup 57}Fe Moessbauer spectroscopy, SEM and EDS, and they were identified as mixtures of CuFe{sub 2}O{sub 4} and CuO. - Three heterobimetallic cyano-bridged copper(II) nitroprusside-based complexes of the general compositions of [Cu(L)Fe(CN){sub 5}NO].xH{sub 2}O, wheremore » L=N,N'-bis(3-aminopropyl)ethylenediamine (complex 1), 1,3,6,9,11,14-hexaazatricyclo[12.2.1.1{sup 6,9}]-octadecane (complex 2) and N-methylethylenediamine (complex 3), were synthesized, and fully structurally and magnetically characterized. SEM, EDS, XRD and {sup 57}Fe Moessbauer experiments were used for characterization of thermal decomposition products of complexes 2 and 3.« less
Preparation and structure of Na2Ag5Fe3(P2O7)4 -Ag metal composite: Insights on electrochemistry
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Yiman; Marschilok, Amy C.; Takeuchi, Esther S.
ABSTRACT Ag 7Fe 3(P 2O 7) 4is a 3D structured material which has been recently studied as a possible cathode material for lithium batteries. Notably, Na 7Fe 3(P 2O 7) 4is reported to be a fast-ion conductor, yet poor electrical conductor. Here, partial replacement of Na +for Ag +yielded Na 2Ag 5Fe 3(P 2O 7) 4pyrophosphate framework where the formation of Ag metal is proposed to increase the intrinsic low electrical conductivity of this polyanion electrode. Specifically, the Ag 5Na 2Fe 3(P 2O 7) 4-Ag composite is synthesized via chemical reduction of Ag 7Fe 3(P 2O 7) 4using NaBH 4.more » The occupancy of Ag +and Na +in each site was determined via Rietveld analysis of the diffraction pattern. Electrochemistry of the Ag 5Na 2Fe 3(P 2O 7) 4-Ag metal composite was explored with voltammetry and galvanostatic charge/discharge cycling. The Ag 5Na 2Fe 3(P 2O 7) 4-Ag metal composite electrodes displayed good rate capability assisted by the presence of Ag metal from the chemical reduction and in-situ electrochemical formation of a Ag conductive network.« less
Level densities of residual nuclei from the reactions ^6Li on ^58Fe and ^7Li on ^57Fe
NASA Astrophysics Data System (ADS)
Oginni, Babatunde; Grimes, Steven; Voinov, Alexander; Adekola, Aderemi; Brune, Carl; Heinen, Zachary; Hornish, Michael; Massey, Thomas; Matei, Catalin; Carter, Don; O'Donnell, John
2008-04-01
The reactions ^6Li on ^58Fe and ^7Li on ^57Fe have been studied; these two reactions give the same compound nucleus, ^64Cu. The neutron, proton and alpha spectra were measured at backward angles, and the level densities of the residual nuclei from the particle evaporation spectra have been obtained. The contribution of the breakup mechanism to the reaction cross-section was studied from ^6Li on ^197Au reaction. The data obtained have been compared with Hauser Feshbach model calculations performed with HF and Empire codes. Three other reactions were also studied to see how level densities change as we move away from the nuclear stability line. These are: ^18O on ^64Ni reaction, this gives ^82Kr as compound nucleus which is on the stability line; ^24Mg on ^58Fe, this gives ^82Sr as compound nucleus and ^24Mg on ^58Ni which gives ^82Zr as compound nucleus; these are two and four steps away from the stability line respectively. Some results are presented.
Magnetic order of intermetallic FeGa3 -yGey studied by μ SR and 57Fe Mössbauer spectroscopy
NASA Astrophysics Data System (ADS)
Munevar, J.; Cabrera-Baez, M.; Alzamora, M.; Larrea, J.; Bittar, E. M.; Baggio-Saitovitch, E.; Litterst, F. J.; Ribeiro, R. A.; Avila, M. A.; Morenzoni, E.
2017-03-01
Temperature-dependent magnetization, muon spin rotation, and 57Fe Mössbauer spectroscopy experiments performed on crystals of intermetallic FeGa3 -yGey (y =0.11 ,0.14 ,0.17 ,0.22 ,0.27 ,0.29 ,0.32 ) are reported. Whereas at y =0.11 even a sensitive magnetic microprobe such as μ SR does not detect magnetism, all other samples display weak ferromagnetism with a magnetic moment of up to 0.22 μB per Fe atom. As a function of doping and of temperature, a crossover from short-range to long-range magnetic order is observed, characterized by a broadly distributed spontaneous internal field. However, y =0.14 and 0.17 remain in the short-range-ordered state down to the lowest investigated temperature. The transition from short-range to long-range order appears to be accompanied by a change of the character of the spin fluctuations, which exhibit a spin-wave excitation signature in the long-range-order part of the phase diagram. Mössbauer spectroscopy for y =0.27 and 0.32 indicates that the internal field lies in the plane perpendicular to the crystallographic c axis. The field distribution and its evolution with doping suggest that the details of the Fe magnetic moment formation and the consequent magnetic state are determined not only by the dopant concentration, but also by the way the replacement of the Ga atoms surrounding the Fe is accomplished.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Larsen, A. C.; Guttormsen, M.; Blasi, N.
Nuclear level densities and γ-ray strength functions of 56,57Fe have been extracted from proton-γ coincidences. A low-energy enhancement in the γ-ray strength functions up to a factor of 30 over common theoretical E1 models is confirmed. Angular distributions of the low-energy enhancement in 57Fe indicate its dipole nature, in agreement with findings for 56Fe. The high statistics and the excellent energy resolution of the large-volume LaBr 3(Ce) detectors allowed for a thorough analysis of γ strength as function of excitation energy. Taking into account the presence of strong Porter–Thomas fluctuations, there is no indication of any significant excitation energy dependencemore » in the γ-ray strength function, which is in support of the generalized Brink–Axel hypothesis.« less
NASA Astrophysics Data System (ADS)
Larsen, A. C.; Guttormsen, M.; Blasi, N.; Bracco, A.; Camera, F.; Crespo Campo, L.; Eriksen, T. K.; Görgen, A.; Hagen, T. W.; Ingeberg, V. W.; Kheswa, B. V.; Leoni, S.; E Midtbø, J.; Million, B.; Nyhus, H. T.; Renstrøm, T.; Rose, S. J.; E Ruud, I.; Siem, S.; Tornyi, T. G.; Tveten, G. M.; Voinov, A. V.; Wiedeking, M.; Zeiser, F.
2017-06-01
Nuclear level densities and γ-ray strength functions of 56,57Fe have been extracted from proton-γ coincidences. A low-energy enhancement in the γ-ray strength functions up to a factor of 30 over common theoretical E1 models is confirmed. Angular distributions of the low-energy enhancement in 57Fe indicate its dipole nature, in agreement with findings for 56Fe. The high statistics and the excellent energy resolution of the large-volume LaBr3(Ce) detectors allowed for a thorough analysis of γ strength as function of excitation energy. Taking into account the presence of strong Porter-Thomas fluctuations, there is no indication of any significant excitation energy dependence in the γ-ray strength function, in support of the generalized Brink-Axel hypothesis.
Larsen, A. C.; Guttormsen, M.; Blasi, N.; ...
2017-04-24
Nuclear level densities and γ-ray strength functions of 56,57Fe have been extracted from proton-γ coincidences. A low-energy enhancement in the γ-ray strength functions up to a factor of 30 over common theoretical E1 models is confirmed. Angular distributions of the low-energy enhancement in 57Fe indicate its dipole nature, in agreement with findings for 56Fe. The high statistics and the excellent energy resolution of the large-volume LaBr 3(Ce) detectors allowed for a thorough analysis of γ strength as function of excitation energy. Taking into account the presence of strong Porter–Thomas fluctuations, there is no indication of any significant excitation energy dependencemore » in the γ-ray strength function, which is in support of the generalized Brink–Axel hypothesis.« less
An 57Fe Mössbauer study of the ordinary chondrite meteorite Lynch 001
NASA Astrophysics Data System (ADS)
Elewa, Nancy N.; Cadogan, J. M.
2017-11-01
The Lynch 001 meteorite was found in the Nullarbor Plain region of Western Australia in 1977. This meteorite is classified as an ordinary chondrite of the petrologic group L5/6 that has undergone `minor to moderate' terrestrial weathering. Here, we characterize the Fe-bearing phases in this chondrite using 57Fe Mössbauer spectroscopy carried out over the temperature range 13 K to room temperature (295 K). The paramagnetic doublets of olivine, pyroxene and a superparamagnetic ferric phase dominate the room temperature Mössbauer spectrum. On the basis of the room temperature quadrupole splitting of the olivine component, we estimate its composition to be Fa 30(5). Besides the paramagnetic ferric component, accounting for ˜15 % of the spectral area at room temperature, magnetically ordered ferric phases were also detected. The total relative proportion of the Fe 3+ components allows us to estimate the terrestrial age of Lynch 001 to be 6,500 ± 1,500 yr, consistent with the value of 6,700 ± 1,300 yr determined by 14C dating.
Fast solution combustion synthesis of porous NaFeTi3O8 with superior sodium storage properties
NASA Astrophysics Data System (ADS)
Zhao, Jin-Bao; Li, Xue; Xiao, Qian
2018-01-01
In this work, NaFeTi3O8 with three-dimensional porous net-like sheet morphology is firstly prepared by a simple and effective solution combustion method. Encouragingly, when being assessed as an anode electrode for sodium ion batteries, the NaFeTi3O8 net-like sheet composite exhibits superior electrochemical properties. We also study the effect of the combustion fuel glycine. The results indicate that the NaFeTi3O8 composite tends to be porous with glycine as the combustion fuel, which displays more excellent long cyclic stability (discharge capacity of 91 mA h g-1 after 1000 cycles at the current density of 0.5 A g-1) and superior rate performance (84.4 mA h g-1 even at 1.6 A g-1) than that of NaFeTi3O8 without glycine as the combustion agent. The enhanced electrochemical properties could be ascribed to the unique porous morphology, which achieves better electrolyte infiltration and faster ion diffusion. [Figure not available: see fulltext.
Large low-energy M1 strength for ^{56,57}Fe within the nuclear shell model.
Brown, B Alex; Larsen, A C
2014-12-19
A strong enhancement at low γ-ray energies has recently been discovered in the γ-ray strength function of ^{56,57}Fe. In this work, we have for the first time obtained theoretical γ decay spectra for states up to ≈8 MeV in excitation for ^{56,57}Fe. We find large B(M1) values for low γ-ray energies that provide an explanation for the experimental observations. The role of mixed E2 transitions for the low-energy enhancement is addressed theoretically for the first time, and it is found that they contribute a rather small fraction. Our calculations clearly show that the high-ℓ(=f) diagonal terms are most important for the strong low-energy M1 transitions. As such types of 0ℏω transitions are expected for all nuclei, our results indicate that a low-energy M1 enhancement should be present throughout the nuclear chart. This could have far-reaching consequences for our understanding of the M1 strength function at high excitation energies, with profound implications for astrophysical reaction rates.
The calculation and evaluation for n+54,56,57,58Fe reactions
NASA Astrophysics Data System (ADS)
Han, Yinlu; Xu, Yongli; Guo, Hairui; Zhang, Zhengjun; Liang, Haiying; Cai, Chonghai; Shen, Qingbiao
2017-09-01
All cross sections of neutron-induced reactions, angular distributions, double differential cross sections, angle-integrated spectra, γ-ray production cross sections and energy spectra for 54,56,57,58Fe are calculated by using theoretical models at incident neutron energies from 0.1 to 200 MeV. The present consistent theoretical calculated results are in good agreement with recent experimental data. The present evaluated data are compared with the existing experimental data and evaluated results from ENDF/B-VII, JENDL-4, JEFF-3, and the results are given in ENDF/B format.
Localization via exchange splitting in NaFe1-xCuxAs
NASA Astrophysics Data System (ADS)
Charnukha, Aliaksei; Yin, Zhiping; Song, Yu; Cao, Chongde; Dai, Pengcheng; Basov, Dimitri
Iron-based high-temperature superconductors have emerged as a distinct material family believed to bridge the wide gap in understanding between conventional low-temperature and unconventional high-temperature copper-based superconductors. And yet, compounds that bear close resemblance to strongly correlated superconducting cuprates have been hard to come by. Recently, copper substitution in a quintessential iron pnictide, NaFeAs, has been demonstrated to result in a semiconducting transport behavior, suggesting the possibility of a strongly correlated Mott insulating electronic state. Here we use optical spectroscopy and dynamical mean-field theory to demonstrate explicitly that the excitation spectrum of NaFe0.5Cu0.5As possesses a sizable gap below the Neel temperature and remains unchanged up to room temperature due to the persistence of short-range antiferromagnetic correlations. We show that all of the observed experimental properties can be explained remarkably well as a result of exchange splitting in the predominantly Fe- d-derived electronic band structure induced by local antiferromagnetic order. On-site repulsion, on the contrary, is insufficient to drive localization. Our results paint a fuller picture of the intermediate character of correlations in iron-pnictides.
2015-01-01
Multimodal nanoparticulate materials are described, offering magnetic, radionuclide, and fluorescent imaging capabilities to exploit the complementary advantages of magnetic resonance imaging (MRI), positron emission tomography/single-photon emission commuted tomography (PET/SPECT), and optical imaging. They comprise Fe3O4@NaYF4 core/shell nanoparticles (NPs) with different cation dopants in the shell or core, including Co0.16Fe2.84O4@NaYF4(Yb, Er) and Fe3O4@NaYF4(Yb, Tm). These NPs are stabilized by bisphosphonate polyethylene glycol conjugates (BP-PEG), and then show a high transverse relaxivity (r2) up to 326 mM–1 s–1 at 3T, a high affinity to [18F]-fluoride or radiometal-bisphosphonate conjugates (e.g., 64Cu and 99mTc), and fluorescent emissions from 500 to 800 nm under excitation at 980 nm. The biodistribution of intravenously administered particles determined by PET/MR imaging suggests that negatively charged Co0.16Fe2.84O4@NaYF4(Yb, Er)-BP-PEG (10K) NPs cleared from the blood pool more slowly than positively charged NPs Fe3O4@NaYF4(Yb, Tm)-BP-PEG (2K). Preliminary results in sentinel lymph node imaging in mice indicate the advantages of multimodal imaging. PMID:26172432
Toner, Brandy M.; Rouxel, Olivier J.; Santelli, Cara M.; Bach, Wolfgang; Edwards, Katrina J.
2016-01-01
Hydrothermal sulfide chimneys located along the global system of oceanic spreading centers are habitats for microbial life during active venting. Hydrothermally extinct, or inactive, sulfide deposits also host microbial communities at globally distributed sites. The main goal of this study is to describe Fe transformation pathways, through precipitation and oxidation-reduction (redox) reactions, and examine transformation products for signatures of biological activity using Fe mineralogy and stable isotope approaches. The study includes active and inactive sulfides from the East Pacific Rise 9°50′N vent field. First, the mineralogy of Fe(III)-bearing precipitates is investigated using microprobe X-ray absorption spectroscopy (μXAS) and X-ray diffraction (μXRD). Second, laser-ablation (LA) and micro-drilling (MD) are used to obtain spatially-resolved Fe stable isotope analysis by multicollector-inductively coupled plasma-mass spectrometry (MC-ICP-MS). Eight Fe-bearing minerals representing three mineralogical classes are present in the samples: oxyhydroxides, secondary phyllosilicates, and sulfides. For Fe oxyhydroxides within chimney walls and layers of Si-rich material, enrichments in both heavy and light Fe isotopes relative to pyrite are observed, yielding a range of δ57Fe values up to 6‰. Overall, several pathways for Fe transformation are observed. Pathway 1 is characterized by precipitation of primary sulfide minerals from Fe(II)aq-rich fluids in zones of mixing between vent fluids and seawater. Pathway 2 is also consistent with zones of mixing but involves precipitation of sulfide minerals from Fe(II)aq generated by Fe(III) reduction. Pathway 3 is direct oxidation of Fe(II) aq from hydrothermal fluids to form Fe(III) precipitates. Finally, Pathway 4 involves oxidative alteration of pre-existing sulfide minerals to form Fe(III). The Fe mineralogy and isotope data do not support or refute a unique biological role in sulfide alteration. The findings
Toner, Brandy M.; Rouxel, Olivier J.; Santelli, Cara M.; ...
2016-05-10
Hydrothermal sulfide chimneys located along the global system of oceanic spreading centers are habitats for microbial life during active venting. Hydrothermally extinct, or inactive, sulfide deposits also host microbial communities at globally distributed sites. The main goal of this study is to describe Fe transformation pathways, through precipitation and oxidation-reduction (redox) reactions, and examine transformation products for signatures of biological activity using Fe mineralogy and stable isotope approaches. The study includes active and inactive sulfides from the East Pacific Rise 9°50'N vent field. First, the mineralogy of Fe(III)-bearing precipitates is investigated using microprobe X-ray absorption spectroscopy (μXAS) and X-ray diffractionmore » (μXRD). Second, laser-ablation (LA) and micro-drilling (MD) are used to obtain spatially-resolved Fe stable isotope analysis by multicollector-inductively coupled plasma-mass spectrometry (MC-ICP-MS). Eight Fe-bearing minerals representing three mineralogical classes are present in the samples: oxyhydroxides, secondary phyllosilicates, and sulfides. For Fe oxyhydroxides within chimney walls and layers of Si-rich material, enrichments in both heavy and light Fe isotopes relative to pyrite are observed, yielding a range of δ 57Fe values up to 6‰. Overall, several pathways for Fe transformation are observed. Pathway 1 is characterized by precipitation of primary sulfide minerals from Fe(II)aq-rich fluids in zones of mixing between vent fluids and seawater. Pathway 2 is also consistent with zones of mixing but involves precipitation of sulfide minerals from Fe(II)aq generated by Fe(III) reduction. Pathway 3 is direct oxidation of Fe(II) aq from hydrothermal fluids to form Fe(III) precipitates. Finally, Pathway 4 involves oxidative alteration of pre-existing sulfide minerals to form Fe(III). The Fe mineralogy and isotope data do not support or refute a unique biological role in sulfide alteration. The
Toner, Brandy M; Rouxel, Olivier J; Santelli, Cara M; Bach, Wolfgang; Edwards, Katrina J
2016-01-01
Hydrothermal sulfide chimneys located along the global system of oceanic spreading centers are habitats for microbial life during active venting. Hydrothermally extinct, or inactive, sulfide deposits also host microbial communities at globally distributed sites. The main goal of this study is to describe Fe transformation pathways, through precipitation and oxidation-reduction (redox) reactions, and examine transformation products for signatures of biological activity using Fe mineralogy and stable isotope approaches. The study includes active and inactive sulfides from the East Pacific Rise 9°50'N vent field. First, the mineralogy of Fe(III)-bearing precipitates is investigated using microprobe X-ray absorption spectroscopy (μXAS) and X-ray diffraction (μXRD). Second, laser-ablation (LA) and micro-drilling (MD) are used to obtain spatially-resolved Fe stable isotope analysis by multicollector-inductively coupled plasma-mass spectrometry (MC-ICP-MS). Eight Fe-bearing minerals representing three mineralogical classes are present in the samples: oxyhydroxides, secondary phyllosilicates, and sulfides. For Fe oxyhydroxides within chimney walls and layers of Si-rich material, enrichments in both heavy and light Fe isotopes relative to pyrite are observed, yielding a range of δ(57)Fe values up to 6‰. Overall, several pathways for Fe transformation are observed. Pathway 1 is characterized by precipitation of primary sulfide minerals from Fe(II)aq-rich fluids in zones of mixing between vent fluids and seawater. Pathway 2 is also consistent with zones of mixing but involves precipitation of sulfide minerals from Fe(II)aq generated by Fe(III) reduction. Pathway 3 is direct oxidation of Fe(II) aq from hydrothermal fluids to form Fe(III) precipitates. Finally, Pathway 4 involves oxidative alteration of pre-existing sulfide minerals to form Fe(III). The Fe mineralogy and isotope data do not support or refute a unique biological role in sulfide alteration. The findings
Effect of Fe3O4 addition on removal of ammonium by zeolite NaA.
Liu, Haibo; Peng, Shuchuan; Shu, Lin; Chen, Tianhu; Bao, Teng; Frost, Ray L
2013-01-15
Magnetic zeolite NaA with different Fe(3)O(4) loadings was prepared by hydrothermal synthesis based on metakaolin and Fe(3)O(4). The effect of added Fe(3)O(4) on the removal of ammonium by zeolite NaA was investigated by varying the Fe(3)O(4) loading, pH, adsorption temperature, initial concentration, adsorption time. Langmuir, Freundlich, and pseudo-second-order modeling were used to describe the nature and mechanism of ammonium ion exchange using both zeolite and magnetic zeolite. Thermodynamic parameters such as change in Gibbs free energy, enthalpy and entropy were calculated. The results show that all the selected factors affect the ammonium ion exchange by zeolite and magnetic zeolite, however, the added Fe(3)O(4) apparently does not affect the ion exchange performance of zeolite to the ammonium ion. Freundlich model provides a better description of the adsorption process than Langmuir model. Moreover, kinetic analysis indicates the exchange of ammonium on the two materials follows a pseudo-second-order model. Thermodynamic analysis makes it clear that the adsorption process of ammonium is spontaneous and exothermic. Regardless of kinetic or thermodynamic analysis, all the results suggest that no considerable effect on the adsorption of the ammonium ion by zeolite is found after the addition of Fe(3)O(4). According to the results, magnetic zeolite NaA can be used for the removal of ammonium due to the good adsorption performance and easy separation method from aqueous solution. Copyright © 2012 Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Hao, Xi-Luo; Li, Yi-Liang
2013-01-01
Mineral assemblages in spinel lherzolite xenoliths from the Cenozoic alkali basalt of eastern China were analyzed by 57Fe Mössbauer spectroscopy for Fe3+/ΣFe and distribution of Fe2+/Fe3+ in non-equivalent crystal cites. Orthopyroxene, clinopyroxene and spinel have 0.08-0.13, 0.19-0.31 and 0.13-0.23 Fe3+/ΣFe, respectively. The cation-exchange equilibrium temperatures, Fe3+ partition coefficient and oxygen fugacity of the upper mantle peridotites were calculated. The equilibrium temperatures are between 1103 K and 1405 K consistent with those reported elsewhere. The oxygen fugacities of spinel lherzolites calculated with olivine-orthopyroxene-spinel (ΔlogƒO2 from - 1.1 to 0) and clinopyroxene-olivine-orthopyroxene oxybarometers (ΔlogƒO2 from - 2.0 to 0.7) are consistent with previously reported upper mantle values.
Nuclear Bragg scattering studies in [sup 57]Fe with synchrotron radiation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Haustein, P.E.
1993-01-01
Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of [alpha]-[sup 57]Fe[sub 2]O[sub 3], have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fullermore » exploitation of this new technique.« less
Nuclear Bragg scattering studies in {sup 57}Fe with synchrotron radiation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Haustein, P.E.
1993-03-01
Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of {alpha}-{sup 57}Fe{sub 2}O{sub 3}, have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fullermore » exploitation of this new technique.« less
Fe-57 Moessbauer study of tektites
NASA Technical Reports Server (NTRS)
Evans, B. J.; Leung, L. K.
1976-01-01
Moessbauer measurements were made on selected moldavite, australite, philippinite, and Georgia tektites. The spectra consist of two apparent lines, but at least two quadrupole doublets can be fitted to these spectra. The Moessbauer parameters for these doublets indicate that they arise from Fe2+ ions with local environments, which are relatively rich and relatively poor in calcium, respectively, similar to those in clinopyroxenes. No evidence for Fe3+/Fe2+ ratios above 0.01 (estimated detection limit) have been found in any tektite. Tektites are considerably more reduced than previously believed, and the extent of the reduction shows little or no variation among different types of tektites. These results limit the source materials of tektites to minerals in which the iron is uniformly highly reduced and in which the iron is contained clinopyroxene-like phases.
NASA Astrophysics Data System (ADS)
Günther, M.; Kamusella, S.; Sarkar, R.; Goltz, T.; Luetkens, H.; Pascua, G.; Do, S.-H.; Choi, K.-Y.; Zhou, H. D.; Blum, C. G. F.; Wurmehl, S.; Büchner, B.; Klauss, H.-H.
2014-11-01
We present a detailed local probe study of the magnetic order in the oxychalcogenide La2O2Fe2OSe2 utilizing 57Fe Mössbauer, 139La NMR, and muon-spin relaxation spectroscopy. This system can be regarded as an insulating reference system of the Fe arsenide and chalcogenide superconductors. From the combination of the local probe techniques we identify a noncollinear magnetic structure similar to Sr2F2Fe2OS2 . The analysis of the magnetic order parameter yields an ordering temperature TN=90.1 K and a critical exponent of β =0.133 , which is close to the two-dimensional Ising universality class as reported in the related oxychalcogenide family.
57Fe CEMS study on dilute metal ions codoped SnO2 thin films prepared by spray pyrolysis
NASA Astrophysics Data System (ADS)
Nomura, Kiyoshi; Koike, Yuya; Nakanishi, Akio
2017-11-01
Dilute Mn-Fe, Co-Fe and V-Fe codoped tin oxide films prepared by spray pyrolysis were characterized by 57Fe conversion electron Mössbauer spectrometry (CEMS) at room temperature (RT) and at 20 K. Two kinds of paramagnetic Fe3+ species were detected at RT; one doublet 1 (D1) with IS = 0.36-0.37 mm/s, QS = 0.69-0.75 mm/s and LW = 0.32-0.40 mm/s, and another doublet 2 (D2) with IS = 0.31-0.35 mm/s QS = 1.16-1.25 mm/s and LW = 0.46-0.52 mm/s. CEMS at 20 K provided more distinguished doublets than at RT. It is found that especially D2 with relatively small IS and large QS values are influenced by other metal ions codoped in SnO2 matrix, whereas D1 with relatively large IS and small QS has the parameters close to the models of Fe-VO1 and Fe-2VO1-Fe models (Nomura et al. Phys. Rev. B 75, 184411 2007; Mudarra Navarro et al. J. Phys. Chem. C 119, 5596-5603 2015).
Doping-dependent anisotropic superconducting gap in Na1-δ(Fe1-xCox)As from London penetration depth
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cho, Kyuil; Tanatar, Makariy A.; Spyrison, Nicholas
2012-07-30
The London penetration depth was measured in single crystals of self-doped Na1-δFeAs (from under doping to optimal doping, Tc from 14 to 27 K) and electron-doped Na(Fe1-xCox)As with x ranging from undoped, x=0, to overdoped, x=0.1. In all samples, the low-temperature variation of the penetration depth exhibits a power-law dependence, Δλ(T)=ATn, with the exponent that varies in a domelike fashion from n˜1.1 in the underdoped, reaching a maximum of n˜1.9 in the optimally doped, and decreasing again to n˜1.3 on the overdoped side. While the anisotropy of the gap structure follows a universal domelike evolution, the exponent at optimal doping,more » n˜1.9, is lower than in other charge-doped Fe-based superconductors (FeSCs). The full-temperature range superfluid density, ρs(T)=λ(0)/λ(T)2, at optimal doping is also distinctly different from other charge-doped FeSCs but is similar to isovalently substituted BaFe2(As1-xPx)2, believed to be a nodal pnictide at optimal doping. These results suggest that the superconducting gap in Na(Fe1-xCox)As is highly anisotropic even at optimal doping.« less
NASA Astrophysics Data System (ADS)
Chu, X.
2017-12-01
A new STAR Na Doppler lidar will be installed to Arrival Heights near McMurdo Station, Antarctica in October 2017. This new lidar will be operated next to an existing Fe Boltzmann lidar to make simultaneous and common-volume measurements of metal Na and Fe layers, neutral temperatures, and vertical winds in the mesosphere and thermosphere, up to nearly 200 km. These measurements will be used to study a variety of science topics, e.g., the meteoric metal layers, wave dynamics, polar mesospheric clouds, constituent and heat fluxes, and cosmic dust. The discoveries of thermospheric neutral Fe layers and persistent gravity waves by the Fe Boltzmann lidar observations has opened a new door to explore the space-atmosphere interactions with ground-based instruments, especially in the least understood but crucially important altitude range of 100-200 km. These neutral metal layers provide excellent tracers for modern resonance lidars to measure the neutral wind and temperature directly. Even more exciting, the neutral metal layers in the thermosphere provide a natural laboratory to test our fundamental understandings of the atmosphere-ionosphere-magnetosphere coupling and processes. This paper will report the first summer results from the simultaneous Na and Fe lidar observations from Antarctica, and highlight important discoveries made by the Fe lidar during its first seven years of campaign at McMurdo. A thermosphere-ionosphere Fe/Fe+ (TIFe) model will be introduced to explain the TIFe layers in Antarctica.
Pandelia, Maria-Eirini; Bykov, Dmytro; Izsak, Robert; Infossi, Pascale; Giudici-Orticoni, Marie-Thérèse; Bill, Eckhard; Neese, Frank; Lubitz, Wolfgang
2013-01-01
Iron–sulfur clusters are ubiquitous electron transfer cofactors in hydrogenases. Their types and redox properties are important for H2 catalysis, but, recently, their role in a protection mechanism against oxidative inactivation has also been recognized for a [4Fe-3S] cluster in O2-tolerant group 1 [NiFe] hydrogenases. This cluster, which is uniquely coordinated by six cysteines, is situated in the proximity of the catalytic [NiFe] site and exhibits unusual redox versatility. The [4Fe-3S] cluster in hydrogenase (Hase) I from Aquifex aeolicus performs two redox transitions within a very small potential range, forming a superoxidized state above +200 mV vs. standard hydrogen electrode (SHE). Crystallographic data has revealed that this state is stabilized by the coordination of one of the iron atoms to a backbone nitrogen. Thus, the proximal [4Fe-3S] cluster undergoes redox-dependent changes to serve multiple purposes beyond classical electron transfer. In this paper, we present field-dependent 57Fe-Mössbauer and EPR data for Hase I, which, in conjunction with spectroscopically calibrated density functional theory (DFT) calculations, reveal the distribution of Fe valences and spin-coupling schemes for the iron–sulfur clusters. The data demonstrate that the electronic structure of the [4Fe-3S] core in its three oxidation states closely resembles that of corresponding conventional [4Fe-4S] cubanes, albeit with distinct differences for some individual iron sites. The medial and distal iron–sulfur clusters have similar electronic properties as the corresponding cofactors in standard hydrogenases, although their redox potentials are higher. PMID:23267108
Armentano, D; De Munno, G; Faus, J; Lloret, F; Julve, M
2001-02-12
The preparation and crystal structures of two oxalato-bridged FeII-FeIII mixed-valence compounds, [FeII(bpm)3]2[FeIII2(ox)5].8H2O (1) and FeII(bpm)3Na(H2O)2FeIII(ox)(3).4H2O (2) (bpm = 2,2'-bipyrimidine; ox = oxalate dianion) are reported here. Complex 1 crystallizes in the triclinic system, space group P1, with a = 10.998(2) A, b = 13.073(3) A, c = 13.308(3) A, alpha = 101.95(2) degrees, beta = 109.20(2) degrees, gamma = 99.89(2) degrees, and Z = 1. Complex 2 crystallizes in the monoclinic system, space group P2(1)/c, with a = 12.609(2) A, b = 19.670(5) A, c = 15.843(3) A, beta = 99.46(1) degrees, and Z = 4. The structure of complex 1 consists of centrosymmetric oxalato-bridged dinuclear high-spin iron(III) [Fe2(ox)5]2- anions, tris-chelated low-spin iron(II) [Fe(bpm)3]2+ cations, and lattice water molecules. The iron atoms are hexacoordinated: six oxygen atoms (iron(III)) from two bidentate and one bisbidentate oxalato ligands and six nitrogen atoms (iron(II)) from three bidentate bpm groups. The Fe(III)-O(ox) and Fe(II)-N(bpm) bond distances vary in the ranges 1.967(3)-2.099(3) and 1.967(4)-1.995(3) A, respectively. The iron(III)-iron(III) separation across the bridging oxalato is 5.449(2) A, whereas the shortest intermolecular iron(III)-iron(II) distance is 6.841(2) A. The structure of complex 2 consists of neutral heterotrinuclear Fe(bpm)2Na(H2O)2Fe(ox)3 units and water molecules of crystallization. The tris-chelated low-spin iron(II) ([Fe(bpm)3]2+) and high-spin iron(III) ([Fe(ox)3]3-) entities act as bidentate ligands (through two bpm-nitrogen and two oxalato-oxygen atoms, respectively) toward the univalent sodium cation, yielding the trinuclear (bpm)2Fe(II)-bpm-Na(I)-ox-Fe(III)(ox)2 complex. Two cis-coordinated water molecules complete the distorted octahedral surrounding of the sodium atom. The ranges of the Fe(II)-N(bpm) and Fe(III)-O(ox) bond distances [1.968(6)-1.993(5) and 1.992(6)-2.024(6) A, respectively] compare well with those observed in 1. The Na
Hydrometallurgical Extraction of Zinc and Copper A 57Fe-Mössbauer and XRD Approach
NASA Astrophysics Data System (ADS)
Mulaba-Bafubiandi, A. F.; Waanders, F. B.
2005-02-01
The most commonly used route in the hydrometallurgical extraction of zinc and copper from a sulphide ore is the concentrate roast leach electro winning process. In the present investigation a zinc copper ore from the Maranda mine, located in the Murchison Greenstone Belt, South Africa, containing sphalerite (ZnS) and chalcopyrite (CuFeS2), was studied. The 57Fe-Mössbauer spectrum of the concentrate yielded pyrite, chalcopyrite and clinochlore, consistent with XRD data. Optimal roasting conditions were found to be 900°C for 3 h and the calcine produced contained according to X-ray diffractometry equal amounts of franklinite (ZnFe2O4) and zinc oxide (ZnO) and half the amount of willemite (Zn2SiO4). The Mössbauer spectrum showed predominantly franklinite (59%), hematite (6%) and other Zn- or Cu-depleted ferrites (35%). The latter could not be detected by XRD analyses as peak overlapping with other species occurred. Leaching was done with HCl, H2SO4 and HNO3, to determine which process would result in maximum recovery of Zn and Cu. More than 80% of both were recovered by using either one of the three techniques. From the residue of the leaching, the Fe-compounds were precipitated and <1% of the Zn and Cu was not recovered.
NASA Astrophysics Data System (ADS)
Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.
2016-01-01
Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan
Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe 2As 2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent atmore » low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe 2As 2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Furthermore, based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.« less
The reaction mechanism of FeSb 2 as anode for sodium-ion batteries
Baggetto, Loic; Hah, Hien-Yoong; Charles E. Johnson; ...
2014-04-04
The electrochemical reaction of FeSb 2 with Na is reported for the first time. The first discharge (sodiation) potential profile of FeSb 2 is characterized by a gentle slope centered at 0.25 V. During charge (Na removal) and the subsequent discharge, the main reaction takes place near 0.7 V and 0.4 V, respectively. The reversible storage capacity amounts to 360 mA h g -1, which is smaller than the theoretical value of 537 mA h g -1. The reaction, studied by ex situ and in situ X-ray diffraction, is found to proceed by the consumption of crystalline FeSb 2 tomore » form an amorphous phase. Upon further sodiation, the formation of nanocrystalline Na3Sb domains is evidenced. During desodiation, Na 3Sb domains convert into an amorphous phase. The chemical environment of Fe, probed by 57Fe Mo ssbauer spectroscopy, undergoes significant changes during the reaction. During sodiation, the well-resolved doublet of FeSb2 with an isomer shift around 0.45 mm s -1 and a quadrupole splitting of 1.26 mm s -1 is gradually converted into a doublet line centered at about 0.15 mm s1 along with a singlet line around 0 mm s -1. The former signal results from the formation of a Fe-rich FexSb alloy with an estimated composition of Fe4Sb while the latter signal corresponds to superparamagnetic Fe due to the formation of nanosized pure Fe domains. Interestingly the signal of Fe4Sb remains unaltered during desodiation. This mechanism is substantially different than that observed during the reaction with Li. The irreversible formation of a Fe-rich Fe 4Sb alloy and the absence of full desodiation of Sb domains explain the lower than theoretical practical storage capacity.« less
An, Junjian; Huang, Mengxuan; Wang, Mengling; Chen, Jiali; Wang, Peng
2018-04-12
Fe-doped NaBiO 3 nanoscaled compounds were prepared by hydrothermal method and evaluated as a highly efficient photo-Fenton-like catalyst under visible light irradiation. The Fe-doped NaBiO 3 compound had a specific surface area of 41.42 m 2 g -1 , which is considerably larger than that of NaBiO 3 nanoparticles (28.81 m 2 g -1 ). The compound exhibited an excellent visible light-Fenton-like catalysis activity, which is influenced by the iron content of the compound and the pH value of the solution. Under the optimal conditions, the Fe-doped NaBiO 3 compound led to fast degradation of Nonylphenol with an apparent rate constant of 5.71 × 10 -2 min -1 , which was 8.23-fold of that achieved by using NaBiO 3 . The significantly enhanced visible light-Fenton-like catalytic property of the Fe-doped NaBiO 3 was attributed to the large surface area and the high adsorption capacity of the compound, and the Fenton catalytic ability of iron in the compound.
X-ray and Mössbauer study of structural changes in K3Na(FeO4)2
NASA Astrophysics Data System (ADS)
Dedushenko, S. K.; Zhizhin, M. G.; Perfiliev, Yu. D.
2005-11-01
Mixed potassium sodium ferrate(VI), K3Na(FeO4)2, has been synthesized by precipitation from alkaline solution. At room temperature it decomposes spontaneously giving Fe(III) compounds and ferrate(VI) with a structure similar to that of K2FeO4, which is confirmed by X-ray diffraction and Mössbauer spectroscopy.
NASA Astrophysics Data System (ADS)
Goltz, T.; Kamusella, S.; Jeevan, H. S.; Gegenwart, P.; Luetkens, H.; Materne, P.; Spehling, J.; Sarkar, R.; Klauss, H.-H.
2014-12-01
We present our results of a local probe study on EuFe2(As1-xPx)2 single crystals with x=0.13, 0.19 and 0.28 by means of muon spin rotation and 57Fe Mössbauer spectroscopy. We focus our discussion on the sample with x=0.19 viz. at the optimal substitution level, where bulk superconductivity (TSC = 28 K) sets in above static europium order (TEu = 20 K) but well below the onset of the iron antiferromagnetic (AFM) transition (~100 K). We find enhanced spin dynamics in the Fe sublattice closely above TSC and propose that these are related to enhanced Eu fluctuations due to the evident coupling of both sublattices observed in our experiments.
Na intercalation in Fe-MIL-100 for aqueous Na-ion batteries
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chavez, James S.; Harrison, Katharine L.; Sava Gallis, Dorina F.
Here we report for the first time the feasibility of using metal–organic frameworks (MOFs) as electrodes for aqueous Na-ion batteries. We show that Fe-MIL-100, a known redox-active MOF, is electrochemically active in a Na aqueous electrolyte, under various compositions. Emphasis was placed on investigating the electrode–electrolyte interface, with a focus on identifying the relationship between additives in the composition of the working electrode, particle size and overall performance. We found that the energy storage capacity is primarily dependent on the binder additive in the composite; the best activity for this MOF is obtained with Nafion as a binder, owing tomore » its hydrophilic and ion conducting nature. Kynar-bound electrodes are clearly less effective, due to their hydrophobic character, which impedes wetting of the electrode. The binder-free systems show the poorest electrochemical activity. There is little difference in the overall performance as function of particle size (micro vs. nano), implying the storage capacities in this study are not limited by ionic and/or electronic conductivity. Excellent reversibility and high coulombic efficiency are achieved at higher potential ranges, observed after cycle 20. That is despite progressive capacity decay observed in the initial cycles. Importantly, structural analyses of cycled working electrodes confirm that the long range crystallinity remains mainly unaltered with cycling. These findings suggest that limited reversibility of the intercalated Na ions in the lower potential range, together with the gradual lack of available active sites in subsequent cycles is responsible for the rapid decay in capacity retention.« less
Na intercalation in Fe-MIL-100 for aqueous Na-ion batteries
Chavez, James S.; Harrison, Katharine L.; Sava Gallis, Dorina F.
2017-05-04
Here we report for the first time the feasibility of using metal–organic frameworks (MOFs) as electrodes for aqueous Na-ion batteries. We show that Fe-MIL-100, a known redox-active MOF, is electrochemically active in a Na aqueous electrolyte, under various compositions. Emphasis was placed on investigating the electrode–electrolyte interface, with a focus on identifying the relationship between additives in the composition of the working electrode, particle size and overall performance. We found that the energy storage capacity is primarily dependent on the binder additive in the composite; the best activity for this MOF is obtained with Nafion as a binder, owing tomore » its hydrophilic and ion conducting nature. Kynar-bound electrodes are clearly less effective, due to their hydrophobic character, which impedes wetting of the electrode. The binder-free systems show the poorest electrochemical activity. There is little difference in the overall performance as function of particle size (micro vs. nano), implying the storage capacities in this study are not limited by ionic and/or electronic conductivity. Excellent reversibility and high coulombic efficiency are achieved at higher potential ranges, observed after cycle 20. That is despite progressive capacity decay observed in the initial cycles. Importantly, structural analyses of cycled working electrodes confirm that the long range crystallinity remains mainly unaltered with cycling. These findings suggest that limited reversibility of the intercalated Na ions in the lower potential range, together with the gradual lack of available active sites in subsequent cycles is responsible for the rapid decay in capacity retention.« less
Study of NiFe2O4 nanoparticles using Mössbauer spectroscopy with a high velocity resolution
NASA Astrophysics Data System (ADS)
Oshtrakh, M. I.; Ushakov, M. V.; Senthilkumar, B.; Selvan, R. Kalai; Sanjeeviraja, C.; Felner, I.; Semionkin, V. A.
2013-04-01
The nanocrystalline NiFe2O4 particles prepared by solution combustion synthesis technique using different fuels such as ethylene-diamine-tetra-acetic acid (NA sample) and urea (NB sample) were studied using magnetic measurement and 57Fe Mössbauer spectroscopy with a high velocity resolution. The temperature dependence of magnetization is different for the two samples. Mössbauer spectra demonstrate the necessity to use more than two magnetic sextets, usually used to fit the NiFe2O4 nanoparticles spectra. Evaluation of the different local microenvironments for Fe in both tetrahedral (A) and octahedral (B) sites, caused by different Ni2 + occupation of octahedral sites, demonstrates at least five different local microenvironments for both A and B sites. Therefore, the Mössbauer spectra were fitted by using ten magnetic sextets which are related to the spread 57Fe location in octahedral and tetrahedral sites.
Shakoor, Rana A; Park, Chan Sun; Raja, Arsalan A; Shin, Jaeho; Kahraman, Ramazan
2016-02-07
The development of secondary batteries based on abundant and cheap elements is vital. Among various alternatives to conventional lithium-ion batteries, sodium-ion batteries (SIBs) are promising due to the abundant resources and low cost of sodium. While there are many challenges associated with the SIB system, cathode is an important factor in determining the electrochemical performance of this battery system. Accordingly, ongoing research in the field of SIBs is inclined towards the development of safe, cost effective cathode materials having improved performance. In particular, pyrophosphate cathodes have recently demonstrated decent electrochemical performance and thermal stability. Herein, we report the synthesis, electrochemical properties, and thermal behavior of a novel Na2Fe0.5Mn0.5P2O7 cathode for SIBs. The material was synthesized through a solid state process. The structural analysis reveals that the mixed substitution of manganese and iron has resulted in a triclinic crystal structure (P1[combining macron] space group). Galvanostatic charge/discharge measurements indicate that Na2Fe0.5Mn0.5P2O7 is electrochemically active with a reversible capacity of ∼80 mA h g(-1) at a C/20 rate with an average redox potential of 3.2 V. (vs. Na/Na(+)). It is noticed that 84% of initial capacity is preserved over 90 cycles showing promising cyclability. It is also noticed that the rate capability of Na2Fe0.5Mn0.5P2O7 is better than Na2MnP2O7. Ex situ and CV analyses indicate that Na2Fe0.5Mn0.5P2O7 undergoes a single phase reaction rather than a biphasic reaction due to different Na coordination environment and different Na site occupancy when compared to other pyrophosphate materials (Na2FeP2O7 and Na2MnP2O7). Thermogravimetric analysis (25-550 °C) confirms good thermal stability of Na2Fe0.5Mn0.5P2O7 with only 2% weight loss. Owing to promising electrochemical properties and decent thermal stability, Na2Fe0.5Mn0.5P2O7, can be an attractive cathode for SIBs.
Improving iron absorption from a Peruvian school breakfast meal by adding ascorbic acid or Na2EDTA.
Davidsson, L; Walczyk, T; Zavaleta, N; Hurrell, R
2001-02-01
Iron-fortified school breakfasts have been introduced in Peru to combat childhood iron deficiency. We evaluated whether iron absorption from a school breakfast meal was improved by increasing the ascorbic acid content or by adding an alternative enhancer of iron absorption, Na2EDTA. In a crossover design, iron absorption from test meals was evaluated by erythrocyte incorporation of 58Fe and 57Fe. The test meals (wheat bread and a drink containing cereal, milk, and soy) contained 14 mg added Fe (as ferrous sulfate) including 2.0-2.6 mg 58Fe or 4.0-7.0 mg 57Fe. Geometric mean iron absorption increased significantly from 5.1% to 8.2% after the molar ratio of ascorbic acid to fortification iron was increased from 0.6:1 to 1.6:1 (P < 0.01; n = 9). Geometric mean iron absorption increased significantly from 2.9% to 3.8%, from 2.2% to 3.5%, and from 2.4% to 3.7% after addition of Na2EDTA at molar ratios relative to fortification iron of 0.3:1, 0.7:1, and 1:1, respectively, compared with test meals containing no added enhancers (P < 0.01; n = 10 for all). Iron absorption after addition of ascorbic acid (molar ratio 0.6:1) was not significantly different from that after addition of Na2EDTA (molar ratio 0.7:1). Ascorbic acid and Na2EDTA did not differ significantly in their enhancing effects on iron absorption at molar ratios of 0.6:1 to 0.7:1 relative to fortification iron. Additional ascorbic acid (molar ratio 1.6:1) increased iron absorption significantly. Increasing the molar ratio of Na2EDTA to fortification iron from 0.3:1 to 1:1 had no effect on iron absorption.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kolker,A.; Huggins, F.
2007-01-01
Naturally occurring pyrite commonly contains minor substituted metals and metalloids (As, Se, Hg, Cu, Ni, etc.) that can be released to the environment as a result of its weathering. Arsenic, often the most abundant minor constituent in pyrite, is a sensitive monitor of progressive pyrite oxidation in coal. To test the effect of pyrite composition and environmental parameters on the rate and extent of pyrite oxidation in coal, splits of five bituminous coal samples having differing amounts of pyrite and extents of As substitution in the pyrite, were exposed to a range of simulated weathering conditions over a period ofmore » 17 months. Samples investigated include a Springfield coal from Indiana (whole coal pyritic S = 2.13 wt.%; As in pyrite = detection limit (d.l.) to 0.06 wt.%), two Pittsburgh coal samples from West Virginia (pyritic S = 1.32-1.58 wt.%; As in pyrite = d.l. to 0.34 wt.%), and two samples from the Warrior Basin, Alabama (pyritic S = 0.26-0.27 wt.%; As in pyrite = d.l. to 2.72 wt.%). Samples were collected from active mine faces, and expected differences in the concentration of As in pyrite were confirmed by electron microprobe analysis. Experimental weathering conditions in test chambers were maintained as follows: (1) dry Ar atmosphere; (2) dry O{sub 2} atmosphere; (3) room atmosphere (relative humidity {approx}20-60%); and (4) room atmosphere with samples wetted periodically with double-distilled water. Sample splits were removed after one month, nine months, and 17 months to monitor the extent of As and Fe oxidation using As X-ray absorption near-edge structure (XANES) spectroscopy and {sup 57}Fe Mossbauer spectroscopy, respectively. Arsenic XANES spectroscopy shows progressive oxidation of pyritic As to arsenate, with wetted samples showing the most rapid oxidation. {sup 57}Fe Mossbauer spectroscopy also shows a much greater proportion of Fe{sup 3+} forms (jarosite, Fe{sup 3+} sulfate, FeOOH) for samples stored under wet conditions, but much
Wan, Hongli; Mwizerwa, Jean Pierre; Qi, Xingguo; Xu, Xiaoxiong; Li, Hong; Zhang, Qiang; Cai, Liangting; Hu, Yong-Sheng; Yao, Xiayin
2018-04-18
Nanosized Na 3 PS 4 solid electrolyte with an ionic conductivity of 8.44 × 10 -5 S cm -1 at room temperature is synthesized by a liquid-phase reaction. The resultant all-solid-state FeS 2 /Na 3 PS 4 /Na batteries show an extraordinary high initial Coulombic efficiency of 95% and demonstrate high energy density of 611 Wh kg -1 at current density of 20 mA g -1 at room temperature. The outstanding performances of the battery can be ascribed to good interface compatibility and intimate solid-solid contact at FeS 2 electrode/nanosized Na 3 PS 4 solid electrolytes interface. Meanwhile, excellent cycling stability is achieved for the battery after cycling at 60 mA g -1 for 100 cycles, showing a high capacity of 287 mAh g -1 with the capacity retention of 80%.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tsipis, E.V.; Department of Ceramics and Glass Engineering, CICECO, University of Aveiro, 3810-193 Aveiro; Waerenborgh, J.C.
2009-03-15
Moessbauer spectroscopy of layered YBaCo{sub 3.96}Fe{sub 0.04}O{sub 7+{delta}} ({delta}=0.02 and 0.80), where 1% cobalt is substituted with {sup 57}Fe isotope, revealed no evidence of charge ordering at 4-293 K. The predominant state of iron cations was found trivalent, irrespective of their coordination and oxygen stoichiometry variations determined by thermogravimetric analysis. The extremely slow kinetics of isothermal oxidation at 598 K in air, and the changes of Fe{sup 3+} fractions in the alternating triangular and Kagome layers in oxidized YBaCo{sub 3.96}Fe{sub 0.04}O{sub 7.80}, may suggest that oxygen intercalation is accompanied with a substantial structural reconstruction stagnated due to sluggish cation diffusion.more » Decreasing temperature below 75-80 K leads to gradual freezing of the iron magnetic moments in inverse correlation with the content of extra oxygen. The formation of metal-oxygen octahedra and resultant structural distortions extend the temperature range where the paramagnetic and frozen states co-exist, down to 45-50 K. - Graphical abstract: Moessbauer spectroscopy of layered YBaCo{sub 3.96}Fe{sub 0.04}O{sub 7+{delta}} ({delta}=0.02 and 0.80), with 1% {sup 57}Fe isotope substituted for cobalt, revealed no evidence of charge ordering at 4-293 K. The predominant state of iron cations was found trivalent, irrespective of their coordination and oxygen stoichiometry variations determined by thermogravimetric analysis. Decreasing temperature below 75-80 K leads to gradual freezing of the iron magnetic moments in inverse correlation with the content of extra oxygen extending the temperature range where the paramagnetic and frozen states co-exist down to 45-50 K.« less
Shape-Control of a 0D/1D NaFe0.9Mn0.1PO4 Nano-Complex by Electrospinning
NASA Astrophysics Data System (ADS)
Shin, Mi-Ra; Son, Jong-Tae
2018-03-01
NaFePO4 with a maricite structure was one of the most promising candidates for sodium ion batteries (SIBs) due to its advantages of environmental friendly and having low cost. However, it has low electrochemical conductivity and energy density, which impose limitations on its application as commercial cathode materials. In this study, other transition-metal ions such as Mn2+ were substituted into the iron (Fe2+) site in NaFePO4 to increase the surface area and the number of nanofibers in the prepared one-dimensional (1D) nano-sized material with 0D/1D dimensions to enhance the energy density. Also, the 0D/1D NaFe0.9Mn0.1PO4 cathode material has increased electrochemical conductivity because the fiber size was reduced to the nano-scale level by using the electrospinning method in order to decrease the diffusion path of Na-ions. The morphology of the 0D/1D nanofiber was evaluated by Field-emission scanning electron microscope and atomic force microscope analyses. The NaFe0.9Mn0.1PO4 nanofibers had a diameter of approximately 180 nm, while the spherical particle had a diameter 1 μm. The 0D/1D nano-sized cathode material show a discharge capacity of 27 mAhg -1 at a 0.05 C rate within the 2.0 4.5 V voltage range and a low R ct of 110 Ω.
Iron oxide nanoparticles in NaA zeolite cages
NASA Astrophysics Data System (ADS)
Kulshreshtha, S. K.; Vijayalakshmi, R.; Sudarsan, V.; Salunke, H. G.; Bhargava, S. C.
2013-07-01
Zeolite NaA samples with varying concentration of Fe3+ ions have been prepared by wet chemical method. Based on powder X-ray diffraction, 29Si and 27Al MAS NMR and Fe3+ EPR investigations, the formation of nano-sized ferric oxide particles inside the larger α-cages of zeolite NaA has been established. Both Mössbauer effect and magnetization measurements carried out down to 4.5 K established the superparamagnetic behaviour of these Fe2O3 particles with a blocking temperature of ≈20 K, where the magnetization values showed deviation for the zero field cooled and field cooled samples and the appearance of a very narrow magnetic hysteresis loop below this temperature. For all Fe3+ containing samples the room temperature Mössbauer spectrum is a broad quadrupole doublet with chemical shift, δ ≈ 0.33 mm/s and quadrupole splitting, ΔEq ≈ 0.68 mm/s. Variable temperature 57Fe Mössbauer effect measurements exhibited magnetic features below the blocking temperature and at 4.5 K, the observed spectrum is a broad magnetic sextet characterized by an internal hyperfine field value of ≈504 kOe along with a very weak central superparamagnetic quadrupole doublet.
NASA Astrophysics Data System (ADS)
Setiyanto, Henry; Muhida, Rifki; Kishi, Tomoya; Rahman, Md. Mahmudur; Dipojono, Hermawan K.; Diño, Wilson A.; Matsumoto, Shigeno; Kasai, Hideaki
Analytical chemistry in the perspective of ab initio molecular orbital calculation is introduced by investigating the chemical reaction between transition metals Cr and Fe with sodium diethyldithiocarbamate (NaDDC), a complexing agent to detect and extract Cr in human blood sample. Using density functional theory—based calculations, we determine the stable structure of the Cr-DDC and Fe-DDC complexes and obtain its dissociation energies. We found dissociation energy values of -3.24 and -2.67 eV for Cr and Fe complexes, respectively; and hence the formation of the former complex is more favorable than the formation of the latter.
NASA Astrophysics Data System (ADS)
Mølholt, T. E.; Mantovan, R.; Gunnlaugsson, H. P.; Svane, A.; Masenda, H.; Naidoo, D.; Bharuth-Ram, K.; Fanciulli, M.; Gislason, H. P.; Johnston, K.; Langouche, G.; Ólafsson, S.; Sielemann, R.; Weyer, G.
2014-01-01
Isolated 57Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of 57Mn decaying to 57Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe2+ and Fe3+, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.
NASA Astrophysics Data System (ADS)
Manjunatha, M.; Kumar, Rajeev; Sahoo, Balaram; Damle, Ramakrishna; Ramesh, K. P.
2018-05-01
The magnetic domain state of carbon coated iron nanopowder (Fe@C) was studied by the internal field nuclear magnetic resonance (IFNMR) at 77 K using the spin echo technique. The structure and magnetic properties of the sample were further characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Mössbauer spectroscopy, vibrating sample magnetometry (VSM), thermogravimetric analysis (TGA) and Raman Spectroscopy. The obtained IFNMR results of Fe@C powder were compared with that of micron sized carbonyl iron (CI) and electrolytic iron (EI) powders. The calculated critical size of the single domain iron particles in Fe@C is ∼ 16 nm. A higher enhancement in echo amplitude was observed due to better response of the domain walls of multidomain particles in comparison to the single domain particles. The echo signal of CI and EI particles exhibit a single narrow intense peak corresponding to the domain walls, whereas Fe@C exhibits two low amplitude peaks at two different frequencies: a low frequency (46.6 MHz) peak corresponds to the response of the domain walls of the multidomain particles and the other high frequency (47.2 MHz) signal (a shoulder) corresponding to the response of the magnetic nuclei inside the domain. Our results help in determining the domain state of iron-based magnetic particles using 57Fe-IFNMR.
García-Casal, María N; Leets, Irene
2014-04-01
Due to the high prevalence of iron and vitamin A deficiencies and to the controversy about the role of vitamin A and carotenoids in iron absorption, the objectives of this study were to evaluate the following: (1) the effect of a molar excess of vitamin A as well as the role of tannic acid on iron uptake by Caco-2 cells; (2) iron uptake and ferritin synthesis in presence of carotenoids without pro-vitamin A activity: lycopene, lutein, and zeaxantin; and (3) iron uptake and ferritin synthesis from ferrous fumarate and NaFe-EDTA. Cells were incubated 1 h at 37 °C in PBS pH 5.5, containing (59) Fe and different iron compounds. Vitamin A, ferrous fumarate, β-carotene, lycopene, lutein, zeaxantin, and tannic acid were added to evaluate uptake. Ferritin synthesis was measured 24 h after uptake experiments. Vitamin A had no effect on iron uptake by Caco-2 cells, and was significantly lower from NaFe-EDTA than from ferrous fumarate (15.2 ± 2.5 compared with 52.5 ± 8.3 pmol Fe/mg cell protein, respectively). Carotenoids increase uptake up to 50% from fumarate and up to 300% from NaFe-EDTA, since absorption from this compound is low when administered alone. We conclude the following: (1) There was no effect of vitamin A on iron uptake and ferritin synthesis by Caco-2cells. (2) Carotenoids significantly increased iron uptake from ferrous fumarate and NaFe-EDTA, and were capable of partially overcoming the inhibition produced by tannic acid. (3) Iron uptake by Caco-2 cell from NaFe-EDTA was significantly lower compared to other iron compounds, although carotenoids increased and tannic acid inhibited iron uptake comparably to ferrous fumarate. © 2014 Institute of Food Technologists®
The abnormal electrical and optical properties in Na and Ni codoped BiFeO{sub 3} nanoparticles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Xu, Xunling; Liu, Weifang, E-mail: wfliu@tju.edu.cn, E-mail: shouyu.wang@yahoo.com; Zhang, Hong
2015-05-07
Bi{sub 0.97}Na{sub 0.03}Fe{sub 1−x}Ni{sub x}O{sub 3} (x = 0, 0.005, 0.01, 0.015) nanoparticles are prepared via a sol-gel method. Weak ferromagnetism and exchange bias phenomenon without field cooling are observed in the samples. The oxygen vacancy concentration and leakage current density are increased with increasing the Ni content. However, with the increase of Ni content, the band gap of Bi{sub 0.97}Na{sub 0.03}Fe{sub 1−x}Ni{sub x}O{sub 3} nanoparticles first decreases and then increases. To explain the abnormal phenomenon, the interplay of oxygen vacancy donor and hole acceptor is analyzed and a phenomenological qualitative model based on the electronic energy band is proposed. Additionally, themore » threshold switching behavior appears in Bi{sub 0.97}Na{sub 0.03}Fe{sub 1−x}Ni{sub x}O{sub 3} samples with x = 0.01, 0.015 and the effect is qualitatively explained by introducing a conducting channel model based on the high-density mobile charges.« less
Clinical Chemistry Reference Intervals for C57BL/6J, C57BL/6N, and C3HeB/FeJ Mice (Mus musculus)
Otto, Gordon P; Rathkolb, Birgit; Oestereicher, Manuela A; Lengger, Christoph J; Moerth, Corinna; Micklich, Kateryna; Fuchs, Helmut; Gailus-Durner, Valérie; Wolf, Eckhard; de Angelis, Martin Hrabě
2016-01-01
Although various mouse inbred strains are widely used to investigate disease mechanisms and to establish new therapeutic strategies, sex-specific reference intervals for laboratory diagnostic analytes that are generated from large numbers of animals have been unavailable. In this retrospective study, we screened data from more than 12,000 mice phenotyped in the German Mouse Clinic from January 2006 through June 2014 and selected animals with the genetic background of C57BL/6J, C57BL/6N, or C3HeB/FeJ. In addition, we distinguished between the C57BL/6NTac substrain and C57BL/6N mice received from other vendors. The corresponding data sets of electrolytes (sodium, potassium, calcium, chloride, inorganic phosphate), lipids (cholesterol, triglyceride), and enzyme activities (ALT, AST, ALP, α-amylase) and urea, albumin, and total protein levels were analyzed. Significant effects of age and sex on these analytes were identified, and strain- or substrain- and sex-specific reference intervals for 90- to 135-d-old mice were calculated. In addition, we include an overview of the literature that reports clinical chemistry values for wild-type mice of different strains. Our results support researchers interpreting clinical chemistry values from various mouse mutants and corresponding wild-type controls based on the examined strains and substrains. PMID:27423143
Clinical Chemistry Reference Intervals for C57BL/6J, C57BL/6N, and C3HeB/FeJ Mice (Mus musculus).
Otto, Gordon P; Rathkolb, Birgit; Oestereicher, Manuela A; Lengger, Christoph J; Moerth, Corinna; Micklich, Kateryna; Fuchs, Helmut; Gailus-Durner, Valérie; Wolf, Eckhard; Hrabě de Angelis, Martin
2016-01-01
Although various mouse inbred strains are widely used to investigate disease mechanisms and to establish new therapeutic strategies, sex-specific reference intervals for laboratory diagnostic analytes that are generated from large numbers of animals have been unavailable. In this retrospective study, we screened data from more than 12,000 mice phenotyped in the German Mouse Clinic from January 2006 through June 2014 and selected animals with the genetic background of C57BL/6J, C57BL/6N, or C3HeB/FeJ. In addition, we distinguished between the C57BL/6NTac substrain and C57BL/6N mice received from other vendors. The corresponding data sets of electrolytes (sodium, potassium, calcium, chloride, inorganic phosphate), lipids (cholesterol, triglyceride), and enzyme activities (ALT, AST, ALP, α-amylase) and urea, albumin, and total protein levels were analyzed. Significant effects of age and sex on these analytes were identified, and strain- or substrain- and sex-specific reference intervals for 90- to 135-d-old mice were calculated. In addition, we include an overview of the literature that reports clinical chemistry values for wild-type mice of different strains. Our results support researchers interpreting clinical chemistry values from various mouse mutants and corresponding wild-type controls based on the examined strains and substrains.
NASA Astrophysics Data System (ADS)
Tuczek, F.; Spiering, H.; Gütlich, P.
1990-06-01
Magnetic-field Mössbauer emission spectra of 57Co in MgO single crystals covering a broad velocity range and measured up to high signal-to-noise ratios are presented. In accordance with a previous study, three charge states of 57Fe are found after 57Co(EC)57Fe (EC stands for electron capture). The evaluation of the Fe(III) fraction indicates nonthermalized populations of the 6A1 ground-state Zeeman levels. The field, temperature, and angular dependences of these populations are evaluated and display qualitative differences to the findings in 57Co/LiNbO3. The implications of the cubic symmetry on the spin-selective ground-state population are considered. In addition, a completely analogous phenomenon is evidenced for the first time within an Fe(II) electronic manifold, namely, the Γ5g ground state of Fe(II) in MgO, after the nuclear decay. In contrast to the Fe(III) case, these populations are not static within the Mössbauer time window. It turns out that the attainment of thermal equilibrium can be conveniently observed by changing the field value, evidencing a direct relaxation process at 4.2 K within Γ5g. The relaxation rates are compatible with static strain data; an initial alignment is observed. Finally, there is strong evidence that the Fe(I) fraction is also populated out of thermal equilibrium. In addition to these ground-state spectra, two features are present that may be attributed to metastable excited states of Fe(II) and Fe(III). It is described in detail how these various contributions can be disentangled.
Wang, Huibo; Gao, Rui; Li, Zhengyao; Sun, Limei; Hu, Zhongbo; Liu, Xiangfeng
2018-05-07
P2-type layered oxides based on the elements Fe and Mn have attracted great interest as sodium ion battery (SIB) cathode materials owing to their inexpensive metal constituents and high specific capacity. However, they suffer from rapid capacity fading and complicated phase transformations. In this study, we modulate the crystal structure and optimize the electrochemical performances of Na 0.67 Mn 0.5 Fe 0.5 O 2 by Al doping for Mn or Fe, respectively, and the roles of Al in the enhancement of the rate capability and cycling performance are unraveled. (1) The substitution of Al for Mn or Fe decreases the lattice parameters a and c but enlarges d spacing and lengthens Na-O bonds, which enhances Na + diffusion and rate capability especially for Na 0.67 Mn 0.5 Fe 0.47 Al 0.03 O 2 . (2) Al doping reduces the thickness of TMO 2 and strengthens TM-O/O-O bonding. This enhances the layered structure stability and the capacity retention. (3) Al doping mitigates Mn 3+ and Jahn-Teller distortion, mitigating the irreversible phase transition. (4) Al doping also alleviates the lattice volume variation and the structure strain. This further improves the stability of the layered structure and the cycling performances particularly in the case of Al doping for Fe. The in-depth insights into the roles of Al substitution might be also useful for designing high-performance cathode materials for SIBs through appropriate lattice doping.
NASA Astrophysics Data System (ADS)
Rastsvetaeva, R. K.; Aksenov, S. M.
2012-05-01
A mineral belonging to the amphibole family found at the Rothenberg paleovolcano (Eifel, Germany) was studied by single-crystal X-ray diffraction. The triclinic pseudomonoclinic unit-cell parameters are a = 5.3113(1) Å, b = 18.0457(3) Å; c = 9.8684(2) Å, α = 90.016(2)°, β = 105.543(4)°, γ = 89.985(2)°. The structure was solved by direct methods in sp. gr. P1 and refined to the R factor of 2.7% based on 6432 reflections with | F| > 3σ( F) taking into account twinning. The mineral with the idealized formula (Na,Ca,K)2(Ca,Na)4(Mg,Fe)5(Mg,Fe,Ti)5[Si12Al4O44](F,O)4 has some symmetry and structural features that distinguish it from other minerals of this family.
NASA Astrophysics Data System (ADS)
Gao, Jing; Huang, Weifeng; Wu, Xiang; Qin, Shan
2018-04-01
Carbon-bearing phases in the Earth's interior have profound implications for the long-term Earth carbon cycle. Here we investigate high-pressure behaviors of carbonophosphates bonshtedtite Na3Fe(PO4)(CO3) and sidorenkite Na3Mn(PO4)(CO3) in diamond anvil cells up to ∼12 GPa at room temperature. Modifications in in situ synchrotron X-ray diffraction patterns and Raman spectra confirm the structural stability of carbonophosphates within the pressure region. Fitting the third-order Birch-Murnaghan equation of state to the volume compression curve, the isothermal bulk modulus parameters are obtained to be K0 = 56(1) GPa, K0' = 3.3(1), V0 = 303.3(3) Å3 for Na3Fe(PO4)(CO3) and K0 = 54(1) GPa, K0' = 3.4(1), V0 = 313.4(2) Å3 for Na3Mn(PO4)(CO3). Crystallographic axes exhibit an elastic anisotropy with a more compressible c-axis relative to the ab-plane. An inverse linear correlation between the K0 value and the ionic radius of M2+ (M = Mg, Fe, Mn) is well determined for carbonophosphates. The pressure-dependence responsiveness of [PO4] and [CO3] in carbonophosphates show a negative relationship to the M2+ radius. We also discussed the effect of [PO4] group on the structural variations and high-pressure behaviors of carbonates. Furthermore, the geochemical properties of carbonophosphates hold implications to diamond genesis.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bud’ko, Sergey L.; Kong, Tai; Meier, William R.
57Fe Mössbauer spectra at different temperatures between ~5 and ~300 K were measured on an oriented mosaic of single crystals of CaKFe 4 As 4. The data indicate that is a well formed compound with narrow spectral lines, no traces of other, Fe – containing, secondary phases in the spectra and no static magnetic order. There is no discernible feature at the superconducting transition temperature in any of the hyperfine parameters. The temperature dependence of the quadrupole splitting approximately follows the empirical ‘ T 3/2 law’. Furthermore, the hyperfine parameters of CaKFe 4 As 4 are compared with those formore » measured in this work, and the literature data for CaFe 2 As 2, and were found to be in between those for these two, ordered, 122 compounds, in agreement with the gross view of CaKFe 4 As 4 as a structural analog of KFe 2 As 2 and CaFe 2 As 2 that has alternating Ca- and K-layers in the structure.« less
Bud’ko, Sergey L.; Kong, Tai; Meier, William R.; ...
2017-07-06
57Fe Mössbauer spectra at different temperatures between ~5 and ~300 K were measured on an oriented mosaic of single crystals of CaKFe 4 As 4. The data indicate that is a well formed compound with narrow spectral lines, no traces of other, Fe – containing, secondary phases in the spectra and no static magnetic order. There is no discernible feature at the superconducting transition temperature in any of the hyperfine parameters. The temperature dependence of the quadrupole splitting approximately follows the empirical ‘ T 3/2 law’. Furthermore, the hyperfine parameters of CaKFe 4 As 4 are compared with those formore » measured in this work, and the literature data for CaFe 2 As 2, and were found to be in between those for these two, ordered, 122 compounds, in agreement with the gross view of CaKFe 4 As 4 as a structural analog of KFe 2 As 2 and CaFe 2 As 2 that has alternating Ca- and K-layers in the structure.« less
NASA Astrophysics Data System (ADS)
Liu, Huatao; Zhao, Yanming; Zhang, Hui; Lian, Xin; Dong, Youzhong; Kuang, Quan
2017-12-01
A series of Fe-doped Na2Mn3-xFex(P2O7)2 (x = 0.0, 0.5, 1.0, 1.5 and 2.0) compounds have been successfully prepared by using sol-gel method. Rietveld refinement results indicate that single phase Na2Mn3-xFex(P2O7)2 with triclinic structure can be obtained within 0 ≤ x ≤ 2 although no Na2Fe3(P2O7)2 existing under our experimental conditions, and the cell parameters (including a, b, c and V) are decreasing with the increasing of x. Our results reveal that Na2Mn3(P2O7)2 exhibits an electrochemical activity in the voltage range of 1.5 V-4.5 V vs. Na+/Na when using as the cathode material for SIBs although it gives a limited rate capability and poor capacity retention. However, the electrochemical performance of Fe-doped Na2Mn3-xFex(P2O7)2 (0 ≤ x ≤ 2) can be improved significantly where cycle performance and rate capability can be improved significantly than that of the pristine one. Sodium ion diffusion coefficient can be increased by about two orders of magnitude with the Fe-doping content higher than x = 0.5.
NASA Astrophysics Data System (ADS)
Liu, Q.; Lange, R.
2003-12-01
Ferric iron is an important component in magmatic liquids, especially in those formed at subduction zones. Although it has long been known that Fe3+ occurs in four-, five- and six-fold coordination in crystalline compounds, only recently have all three Fe3+ coordination sites been confirmed in silicate glasses utilizing XANES spectroscopy at the Fe K-edge (Farges et al., 2003). Because the density of a magmatic liquid is largely determined by the geometrical packing of its network-forming cations (e.g., Si4+, Al3+, Ti4+, and Fe3+), the capacity of Fe3+ to undergo composition-induced coordination change affects the partial molar volume of the Fe2O3 component, which must be known to calculate how the ferric-ferrous ratio in magmatic liquids changes with pressure. Previous work has shown that the partial molar volume of Fe2O3 (VFe2O3) varies between calcic vs. sodic silicate melts (Mo et al., 1982; Dingwell and Brearley, 1988; Dingwell et al., 1988). The purpose of this study is to extend the data set in order to search for systematic variations in VFe2O3 with melt composition. High temperature (867-1534° C) density measurements were performed on eleven liquids in the Na2O-Fe2O3-FeO-SiO2 (NFS) system and five liquids in the K2O-Fe2O3-FeO-SiO2 (KFS) system using Pt double-bob Archimedean method. The ferric-ferrous ratio in the sodic and potassic liquids at each temperature of density measurement were calculated from the experimentally calibrated models of Lange and Carmichael (1989) and Tangeman et al. (2001) respectively. Compositions range (in mol%) from 4-18 Fe2O3, 0-3 FeO, 12-39 Na2O, 25-37 K2O, and 43-78 SiO2. Our density data are consistent with those of Dingwell et al. (1988) on similar sodic liquids. Our results indicate that for all five KFS liquids and for eight of eleven NFS liquids, the partial molar volume of the Fe2O3 component is a constant (41.57 ñ 0.14 cm3/mol) and exhibits zero thermal expansivity (similar to that for the SiO2 component). This value
The reactivity of Fe/Ni colloid stabilized by carboxymethylcellulose (CMC-Fe/Ni) toward chloroform.
Jin, Xin; Li, Qun; Yang, Qi
2018-05-16
The use of stabilizers can prevent the reactivity loss of nanoparticles due to aggregation. In this study, carboxymethylcellulose (CMC) was selected as the stabilizer to synthesize a highly stable CMC-stabilized Fe/Ni colloid (CMC-Fe/Ni) via pre-aggregation stabilization. The reactivity of CMC-Fe/Ni was evaluated via the reaction of chloroform (CF) degradation. The effect of background solution which composition was affected by the preparation of Fe/Ni (Fe/Ni precursors, NaBH 4 dosage) and the addition of solute (common ions, sulfur compounds) on the reactivity of CMC-Fe/Ni was also investigated. Additionally, the dried CMC-Fe/Ni was used for characterization in terms of scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The experimental results indicated that CMC stabilization greatly improved the reactivity of Fe/Ni bimetal and CF (10 mg/L) could be completely degraded by CMC-Fe/Ni (0.1 g/L) within 45 min. The use of different Fe/Ni precursors resulting in the variations of background solution seemed to have no obvious influence on the reactivity of CMC-Fe/Ni, whereas the dosage of NaBH 4 in background solution showed a negative correlation with the reactivity of CMC-Fe/Ni. Besides, the individual addition of external solutes into background solution all had an adverse effect on the reactivity of CMC-Fe/Ni, of which the poisoning effect of sulfides (Na 2 S, Na 2 S 2 O 4 ) was significant than common ions and sulfite.
NASA Astrophysics Data System (ADS)
Diakonov, Igor I.; Schott, Jacques; Martin, Francois; Harrichourry, Jean-Claude; Escalier, Jocelyne
1999-08-01
The solubility of natural and synthetic hematite (α-Fe 2O 3) was measured in NaOH-NaCl solutions (0.007 ≤ m(NaOH) ≤ 2.0) between 60 and 300°C at saturated water vapour pressure and under excess oxygen. Solubility constants determined in the present study and by Yishan et al. (1986) at 300°C were combined with the thermodynamic properties of hematite (Hemingway, 1990) and water (SUPCRT92, Johnson et al., 1992) to generate within the framework of the revised Helgeson-Kirkham-Flowers (HKF) model the standard partial molal thermodynamic properties at 25°C and 1 bar, and the revised HKF equations of state parameters of Fe(OH) 4 -. The extrapolated value for the Gibbs energy of formation for Fe(OH) 4 - at 25°C is -201.97 kcal/mol. Thermodynamic calculations show that Fe(OH) 4 - exhibits a chemical behaviour different from that of Ga(OH) 4 - and Al(OH) 4 -.
Loparite, a rare-earth ore (Ce, Na, Sr, Ca)(Ti, Nb, Ta, Fe+3)O3
Hedrick, James B.; Sinha, Shyama P.; Kosynkin, Valery D.
1997-01-01
The mineral loparite (Ce, NA, Sr, Ca)(Ti, Nb, Ta, Fe+3)O3 is the principal ore of the light-group rare-earth elements (LREE) in Russia. The complex oxide has a perovskite (ABO3) structure with coupled substitutions, polymorphism, defect chemistry and a tendency to become metamict. The A site generally contains weakly bonded, easily exchanged cations of the LREE, Na and Ca. The B site generally contains smaller, highly charged cations of Ti, Nb or Fe+3. Mine production is from Russia's Kola Peninsula. Ore is beneficiated to produce a 95% loparite concentrate containing 30% rare-earth oxides. Loparite concentrate is refined by either a chlorination process or acid decomposition process to recover rare-earths, titanium, niobium and tantalum. Rare-earths are separated by solvent extraction and selective precipitation/dissolution. The concentrate is processed at plants in Russia, Estonia and Kazakstan.
NASA Astrophysics Data System (ADS)
Hung, Nguyen The; Bac, Luong Huu; Trung, Nguyen Ngoc; Hoang, Nguyen The; Van Vinh, Pham; Dung, Dang Duc
2018-04-01
The integration of ferromagnetism in lead-free ferroelectric materials is important to fabricate smart materials for electronic devices. In this work, (1 - x)Bi0.5Na0.5TiO3 + xMgFeO3-δ materials (x = 0-9 mol%) were prepared through sol-gel method. X-ray diffraction characterization indicated that MgFeO3-δ materials existed as a well solid solution in lead-free ferroelectric Bi0.5Na0.5TiO3 materials. The rhombohedral structure of Bi0.5Na0.5TiO3 materials was distorted due to the random distribution of Mg and Fe cations into the host lattice. The reduced optical band gap and the induced room-temperature ferromagnetism were due to the spin splitting of transition metal substitution at the B-site of perovskite Bi0.5Na0.5TiO3 and the modification by A-site co-substitution. This work elucidates the role of secondary phase as solid solution in Bi0.5Na0.5TiO3 material for development of lead-free multiferroelectric materials.
Duarte, Rafael M; Benaduce, Ana Paula; Garcia, Luciano; Gomes, Levy C; Gomes, Adriana Chippari; Val, Adalberto L; Baldisserotto, Bernardo
2018-04-24
Formation water (FoW) is a by-product from oil and gas production and usually has high concentrations of soluble salts and metals. Calcium (Ca) and magnesium (Mg) have been shown to reduce the toxicity of metals to aquatic animals, and previous study showed that high waterborne Ca exerts mild effect against disturbances on Na + regulation in Amazonian armored catfish tamoatá (Hoplosternum littorale) acutely exposed to high Fe, Mn, and Ba levels. Here, we hypothesized that high Mg levels might also reduce the toxic effects of these metals on Na + regulation of tamoatá. The exposure to 5% FoW promoted an increase in Na + uptake and a rapid accumulation of Na + in all tissues analyzed (kidney
Magnetic characteristics of ultrafine Fe particles reduced from uniform iron oxide particles
NASA Astrophysics Data System (ADS)
Bridger, K.; Watts, J.; Tadros, M.; Xiao, Gang; Liou, S. H.; Chien, C. L.
1987-04-01
Uniform, cubic 0.05-μm iron oxide particles were formed by forced hydrolysis of ferric perchlorate. These particles were reduced to α-Fe by heating in hydrogen at temperatures between 300 and 500 °C. The effect of reduction temperature and various prereduction treatments on the microstructure of the iron particles will be discussed. Complete reduction to α-Fe was established by 57Fe Mössbauer spectroscopy and x-ray diffraction. Magnetic measurements on epoxy and polyurethane films containing these particles with various mass fractions gave coercivities as high as 1000 Oe. The relationship between the magnetic measurements and the microstructure will be discussed. Na2SiO3 is found to be the best coating material for the process of reducing iron oxide particles to iron.
NbS2 Nanosheets with M/Se (M = Fe, Co, Ni) Codopants for Li+ and Na+ Storage.
Zhang, Jianli; Du, Chengfeng; Dai, Zhengfei; Chen, Wei; Zheng, Yun; Li, Bing; Zong, Yun; Wang, Xin; Zhu, Junwu; Yan, Qingyu
2017-10-24
Transition metal (M = Fe, Co, Ni) and Se codoped two-dimensional uniform NbS 2 (M x Nb 1-x S 2-y Se y ) nanosheets were synthesized via a facile oil-phase synthetic process. The morphology of M x Nb 1-x S 2-y Se y can be adjusted by tuning the amount of metal and Se introduced into NbS 2 . Among them, the optimized Fe 0.3 Nb 0.7 S 1.6 Se 0.4 nanosheets, with lateral sizes of 1-2 μm and approximately 5 nm thick, achieve the best Li-ion and Na-ion storage properties. For example, the Fe 0.3 Nb 0.7 S 1.6 Se 0.4 nanosheets depict excellent rate capabilities with fifth-cycle specific capacities of 461.3 mAh g -1 at 10 A g -1 for Li storage and 136 mAh g -1 at 5 A g -1 for Na storage. More significantly, ultralong cyclic stabilities were achieved with reversible specific capacities of 444 mAh g -1 at 5 A g -1 during the 3000th cycle for Li storage and 250 mAh g -1 at 1 A g -1 during the 750th cycle for Na storage. Post-treatment high-resolution transmission electron microscopy was studied to prove that the reversible Li-ion storage in NbS 2 was based on a conversion reaction mechanism.
NASA Astrophysics Data System (ADS)
Bih, H.; Saadoune, I.; Bih, L.; Mansori, M.; ToufiK, H.; Fuess, H.; Ehrenberg, H.
2016-01-01
In the present study we report on the synthesis and crystal structure studies of NaCryFe1-yP2O7 sodium diphosphate solid solution (0 ≤ y ≤ 1). The X-ray diffraction shows that these compounds are isostructural with NaFeP2O7 and NaCrP2O7 (space group P21/c (C2h5) Z = 4). The Rietveld refinements based on the XRD patterns show the existence of a continuous solid solution over the whole composition range (0 ≤ y ≤ 1). A continuous evolution of the monoclinic unit cell parameters was obtained. The transition metal ions (Cr3+ and/or Fe3+) connect the diphosphate anions forming a three-dimensional network with cages filled by Na+ cations. IR and Raman spectra have been interpreted using factor group analysis. A small shift of the band frequencies is observed when Fe is substituted by Cr. The POP bridge angles are determined from Lazarev's relation and agree well with those deduced from the crystal structure refinement.
Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy
Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; ...
2015-08-10
The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less
Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy
Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.
2015-01-01
The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066
Oh, Seung-Min; Myung, Seung-Taek; Yoon, Chong Seung; Lu, Jun; Hassoun, Jusef; Scrosati, Bruno; Amine, Khalil; Sun, Yang-Kook
2014-03-12
While much research effort has been devoted to the development of advanced lithium-ion batteries for renewal energy storage applications, the sodium-ion battery is also of considerable interest because sodium is one of the most abundant elements in the Earth's crust. In this work, we report a sodium-ion battery based on a carbon-coated Fe3O4 anode, Na[Ni0.25Fe0.5Mn0.25]O2 layered cathode, and NaClO4 in fluoroethylene carbonate and ethyl methanesulfonate electrolyte. This unique battery system combines an intercalation cathode and a conversion anode, resulting in high capacity, high rate capability, thermal stability, and much improved cycle life. This performance suggests that our sodium-ion system is potentially promising power sources for promoting the substantial use of low-cost energy storage systems in the near future.
NASA Astrophysics Data System (ADS)
Oshtrakh, M. I.; Alenkina, I. V.; Semionkin, V. A.
2016-12-01
Human liver ferritin and its iron-polymaltose pharmaceutical analogues Ferrum Lek, Maltofer® and Ferrifol® were studied using Mössbauer spectroscopy at 295 and 90 K. The Mössbauer spectra were fitted on the basis of a new model of heterogeneous iron core structure using five quadrupole doublets. These components were related to the corresponding more or less close-packed iron core layers/regions demonstrating some variations in the 57Fe hyperfine parameters for the studied samples.
NASA Astrophysics Data System (ADS)
Ding, Wei; Jiang, Longtao; Liao, Yaqin; Song, Jiabin; Li, Bingqing; Wu, Gaohui
2015-03-01
Fe/silicate glass soft magnetic composites (SMC) were fabricated by powder metallurgy with 1000 MPa pressure at room temperature, and then annealed at 700 °C for 90 min. The iron particles distributed uniformly in the composites, and have been separated from each other by a continuous silicate glass insulating layer. Fe/glass interface was well bonded and a quasi-continuous layer Fe3O4 and FeO exited. Very fine crystalline phases Na12Ca3Fe2(Si6O18)2 were formed in silicate glass. Composite containing 57 vol% 75 μm iron particles demonstrated highest resistivity of 7.8×10-3 Ω m. The μm, Bs and Bt increased while Hc of Fe/silicate glass composites decreased with the increase of average size of iron particles. The composite with highest amount (82 vol%) and largest average size (140 μm) of iron particles demonstrated best μm, Bs and Bt and Hc, which were 622, 1.57 T, 1.43 T, 278 A/m, respectively. The composite containing 57 vol% 75 μm iron particles demonstrated minimum core loss of 3.5 W/kg at 50 Hz and 28.1 W/kg at 400 Hz, while the composite containing 82 vol% 140 μm iron particles exhibited maximum core loss of 5.2 W/kg at 50 Hz and 67.7 W/kg at 400 Hz.
Properties of complexes formed by Na(+), Mg(2+), and Fe(2+) binding with benzene molecules.
Kolakkandy, Sujitha; Pratihar, Subha; Aquino, Adelia J A; Wang, Hai; Hase, William L
2014-10-09
A theoretical investigation was performed to study cation-π interactions in complexes of benzene (Bz) with cations, that is, M(z+)(Bz)n for M(z+) = Na(+), Mg(2+), Fe(2+) and n = 1-3, using MP2 theory with the 6-31+G* and 6-311++G** basis sets and the DFT/(B3LYP and B3LYP-D)/6-311++G** methods. Binding energies and structures of the complexes are reported. The splitting between the quintet and single states of the Fe(2+) complexes was found to depend on the number of benzene molecules in the complex and the complex's structure. All of the M(z+)(Bz) complexes prefer a half-sandwich geometry. A geometry with the cation sandwiched between the two benzene rings was found for the M(z+)(Bz)2 complexes, with the benzene rings either in an eclipsed or staggered conformation. An approximate cyclic structure, with the cation at its center, was found for three benzene molecules interacting with the cation. The cation-benzene binding energy is substantial and equal to 22, 108, and 151 kcal/mol for the Na(+)(Bz), Mg(2+)(Bz), and Fe(2+)(Bz) complexes, respectively. The strength of the interaction of the cation with an individual benzene molecule decreases as the number of benzene molecules bound to the cation increases; for example, it is 108 kcal/mol for Mg(2+)(Bz), but only 71 kcal/mol for Mg(2+)(Bz)3. There is a range of values for the M(z+)(Bz)n intermolecular vibrational frequencies; for example, they are ∼230-360 and ∼10-330 cm(-1) for the Mg(2+)(Bz) and Mg(2+)(Bz)3 complexes, respectively. Binding of the cation to benzene both red and blue shifts the benzene vibrational frequencies. This shifting is larger for the Mg(2+) and Fe(2+) complexes, as compared to those for Na(+), as a result of the former's stronger cation-benzene binding. The present study is an initial step to understand the possible importance of cation-π interactions for polycyclic aromatic hydrocarbon aggregation processes during soot formation.
Electronic and spin dynamics in the insulating iron pnictide NaFe0.5Cu0.5As
NASA Astrophysics Data System (ADS)
Zhang, Shunhong; He, Yanjun; Mei, Jia-Wei; Liu, Feng; Liu, Zheng
2017-12-01
NaFe0.5Cu0.5As represents a rare exception in the metallic iron pnictide family, in which a small insulating gap is opened. Based on first-principles study, we provide a comprehensive theoretical characterization of this insulating compound. The Fe3 + spin degree of freedom is quantified as a quasi-one-dimensional (1D) S =5/2 Heisenberg model. The itinerant As hole state is downfolded to a px y-orbital hopping model on a square lattice. An orbital-dependent Hund's coupling between the spin and the hole is revealed. Several important material properties are analyzed, including (a) the factors affecting the small p -d charge-transfer gap; (b) the role of extra interchain Fe atoms; and (c) quasi-1D spin excitation in the Fe chains. The experimental manifestations of these properties are discussed.
Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
2012-06-14
The dimeric iron carbonyl [CpFe(CO)(2)](2) and the iodosilanes tBu(2)RSiI were obtained from the reaction of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) in THF. By the reactions of [CpFe(CO)(2)]I and Na[SiRtBu(2)] (R = Me, tBu) the disilanes tBu(2)RSiSiRtBu(2) (R = Me, tBu) were additionally formed using more than one equivalent of the silanide. In this context it should be noted that reduction of [CpFe(CO)(2)](2) with Na[SitBu(3)] gives the disilanes tBu(3)SiSitBu(3) along with the sodium ferrate [(Na(18-crown-6))(2)Cp][CpFe(CO)(2)]. The potassium analogue [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] (orthorhombic, space group Pmc2(1)), however, could be isolated as a minor product from the reaction of [CpFe(CO)(2)]I with [K(18-crown-6)][PtBu(2)BH(3)]. The reaction of [CpFe(CO)(2)](2) with the potassium benzophenone ketyl radical and subsequent treatment with 18-crown-6 yielded the ferrate [K(18-crown-6)][CpFe(CO)(2)] in THF at room temperature. The crown ether complex [K(18-crown-6)][CpFe(CO)(2)] was analyzed using X-ray crystallography (orthorhombic, space group Pna2(1)) and its thermal behaviour was investigated.
Structure-electrochemical evolution of a Mn-rich P2 Na 2/3Fe 0.2Mn 0.8O 2 Na-ion battery cathode
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dose, Wesley M.; Sharma, Neeraj; Pramudita, James C.
The structural evolution of electrode materials directly influences the performance of sodium-ion batteries. In this work, in situ synchrotron X-ray diffraction is used to investigate the evolution of the crystal structure of a Mn-rich P2-phase Na 2/3Fe 0.2Mn 0.8O 2 cathode. A single-phase reaction takes place for the majority of the discharge–charge cycle at ~C/10, with only a short, subtle hexagonal P2 to hexagonal P2 two-phase region early in the first charge. Thus, a higher fraction of Mn compared to previous studies is demonstrated to stabilize the P2 structure at high and low potentials, with neither “Z”/OP4 phases in themore » charged state nor significant quantities of the P'2 phase in the discharged state between 1.5 and 4.2 V. Notably, sodium ions inserted during discharge are located on both available crystallographic sites, albeit with a preference for the site sharing edges with the MO 6 octahedral unit. The composition Na ~0.70Fe 0.2Mn 0.8O 2 prompts a reversible single-phase sodium redistribution between the two sites. Sodium ions vacate the site sharing faces (Naf), favoring the site sharing edges (Nae) to give a Nae/Naf site occupation of 4:1 in the discharged state. This site preference could be an intermediate state prior to the formation of the P'2 phase. Furthermore, this work shows how the Mn-rich Na 2/3Fe 0.2Mn 0.8O 2 composition and its sodium-ion distribution can minimize phase transitions during battery function, especially in the discharged state.« less
Structure-electrochemical evolution of a Mn-rich P2 Na 2/3Fe 0.2Mn 0.8O 2 Na-ion battery cathode
Dose, Wesley M.; Sharma, Neeraj; Pramudita, James C.; ...
2017-08-04
The structural evolution of electrode materials directly influences the performance of sodium-ion batteries. In this work, in situ synchrotron X-ray diffraction is used to investigate the evolution of the crystal structure of a Mn-rich P2-phase Na 2/3Fe 0.2Mn 0.8O 2 cathode. A single-phase reaction takes place for the majority of the discharge–charge cycle at ~C/10, with only a short, subtle hexagonal P2 to hexagonal P2 two-phase region early in the first charge. Thus, a higher fraction of Mn compared to previous studies is demonstrated to stabilize the P2 structure at high and low potentials, with neither “Z”/OP4 phases in themore » charged state nor significant quantities of the P'2 phase in the discharged state between 1.5 and 4.2 V. Notably, sodium ions inserted during discharge are located on both available crystallographic sites, albeit with a preference for the site sharing edges with the MO 6 octahedral unit. The composition Na ~0.70Fe 0.2Mn 0.8O 2 prompts a reversible single-phase sodium redistribution between the two sites. Sodium ions vacate the site sharing faces (Naf), favoring the site sharing edges (Nae) to give a Nae/Naf site occupation of 4:1 in the discharged state. This site preference could be an intermediate state prior to the formation of the P'2 phase. Furthermore, this work shows how the Mn-rich Na 2/3Fe 0.2Mn 0.8O 2 composition and its sodium-ion distribution can minimize phase transitions during battery function, especially in the discharged state.« less
Wang, Bo; Chen, Junshi; Zhan, Siyan; Sun, Jing; Li, Liming
2011-05-01
To assess the effectiveness of social mobilization and social marketing in promoting NaFeEDTA-fortified soy sauce in an iron deficient population. This study was an uncontrolled, community-based, before-after study, which was implemented in three counties of Shijiazhuang Municipality. The intervention was a social mobilization and social marketing strategy. Adult women older than 20 years of age participated in the evaluation protocol. The main outcomes included KAP relevant to IDA. Cross-sectional samples were used to assess the outcomes at baseline and 1 year later. Knowledge and attitudes of adult women had changed positively, and the percentage of women who had adopted NaFeEDTA-fortified soy sauce increased from 8.9% to 36.6% (P < 0.001). Social mobilization and social marketing had a positive impact on the KAP of adult women in the iron deficient population.
Zhang, Sijia; Zhao, Kan; Yu, Xiaohui; ...
2016-07-11
Here, the effect of pressure on superconductivity of “122” type Ca 1-xNa xFe 2As 2 (x=0.66 single crystal is investigated through the temperature dependence of resistanc measurement. Optimal Na doped (Ca 0.34Na 0.66)Fe 2As 2 shows a superconductin transition with T c ~ 33 K at ambient pressure. With application of pressure, T decreases nearly linearly with d Tc/d P ~ -1.7K/GPa at pressures lower than 2 GPa and disappears gradually at higher pressure. The disappearance of superconductivit is also companied with the recovery of standard Fermi liquid behaviors of th normal-state transport properties. Moreover, (Ca 0.34Na 0.66)Fe 2As 2more » exhibits a tetragona (T) to collapsed-tetragonal (c T) transition at about 3 GPa. The evolution o non-Fermi liquid behaviors and superconductivity under pressure are both relate to the interband fluctuations.« less
Koufopoulou, Sofia; Michalopoulos, Charalampos; Tzamtzis, Nikolaos; Pappa, Athina
2014-06-01
Long term fire retardant (LTR) application for forest fire prevention purposes as well as wildland fires can result in chemical leaching from forest soils. Large quantities of sodium (Na), aluminium (Al), iron (Fe), manganese (Mn), copper (Cu) and silicon (Si) in leachates, mainly due to ammonium (one of the major LTR components) soil deposition, could affect the groundwater quality. The leaching of Na, Al, Fe, Mn, Cu and Si due to nitrogen based LTR application (Fire Trol 931) was studied at laboratory scale. The concentrations of Na(+), Al(3+), Fe(3+)/Fe(2+), Mn(2+), Cu(2+) and Si(4+) were measured in the resulting leachates from pots with forest soil and pine trees alone and in combination with fire. The leaching of Na, Fe and Si from treated pots was significantly greater than that from control pots. The leaching of Al, Mn and Cu was extremely low.
Electron doping evolution of the neutron spin resonance in NaFe 1-xCo xAs
Zhang, Chenglin; Song, Yu; Carr, Scott Victor; ...
2016-05-31
Neutron spin resonance, a collective magnetic excitation coupled to superconductivity, is one of the most prominent features shared by a broad family of unconventional superconductors including copper oxides, iron pnictides, and heavy fermions. In this paper, we study the doping evolution of the resonances in NaFe 1–xCo xAs covering the entire superconducting dome. For the underdoped compositions, two resonance modes coexist. As doping increases, the low-energy resonance gradually loses its spectral weight to the high-energy one but remains at the same energy. By contrast, in the overdoped regime we only find one single resonance, which acquires a broader width inmore » both energy and momentum but retains approximately the same peak position even when T c drops by nearly a half compared to optimal doping. Furthermore, these results suggest that the energy of the resonance in electron overdoped NaFe 1–xCo xAs is neither simply proportional to T c nor the superconducting gap but is controlled by the multiorbital character of the system and doped impurity scattering effect.« less
NASA Astrophysics Data System (ADS)
Chukanov, Nikita V.; Rastsvetaeva, Ramiza K.; Kruszewski, Łukasz; Aksenov, Sergey M.; Rusakov, Vyacheslav S.; Britvin, Sergey N.; Vozchikova, Svetlana A.
2018-03-01
The new eudialyte-group mineral siudaite, ideally Na8(Mn2+ 2Na)Ca6Fe3+ 3Zr3NbSi25O74(OH)2Cl·5H2O, was discovered in a peralkaline pegmatite situated at the Eveslogchorr Mt., Khibiny alkaline massif, Kola Peninsula, Russia. The associated minerals are aegirine, albite, microcline, nepheline, astrophyllite, and loparite-(Ce). Siudaite forms yellow to brownish-yellow equant anhedral grains up to 1.5 cm across. Its lustre is vitreous, and the streak is white. Cleavage is none observed. The Mohs' hardness is 4½. Density measured by hydrostatic weighing is 2.96(1) g/cm3. Density calculated using the empirical formula is equal to 2.973 g/cm3. Siudaite is nonpleochroic, optically uniaxial, negative, with ω = 1.635(1) and ɛ = 1.626(1) (λ = 589 nm). The IR spectrum is given. The chemical composition of siudaite is (wt%; electron microprobe, H2O determined by HCN analysis): Na2O 8.40, K2O 0.62, CaO 9.81, La2O3 1.03, Ce2O3 1.62, Pr2O3 0.21, Nd2O3 0.29, MnO 6.45, Fe2O3 4.51. TiO2 0.54, ZrO2 11.67, HfO2 0.29, Nb2O5 2.76, SiO2 47.20, Cl 0.54, H2O 3.5, -O = Cl - 0.12, total 99.32. According to Mössbauer spectroscopy data, all iron is trivalent. The empirical formula (based on 24.5 Si atoms pfu, in accordance with structural data) is [Na7.57(H2O)1.43]Σ9(Mn1.11Na0.88Ce0.31La0.20Nd0.05Pr0.04K0.41)Σ3(H2O)1.8(Ca5.46Mn0.54)Σ6(Fe3+ 1.76Mn2+ 1.19)Σ2.95Nb0.65(Ti0.20Si0.50)Σ0.71(Zr2.95Hf0.04Ti0.01)Σ3Si24.00Cl0.47O70(OH)2Cl0.47·1.82H2O. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is trigonal, space group R3m, with a = 14.1885(26) Å, c = 29.831(7) Å, V = 5200.8(23) Å3 and Z = 3. Siudaite is chemically related to georgbarsanovite and is its analogue with Fe3+-dominant M2 site. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.38 (60) (-114), 4.29 (55) (-225), 3.389 (47) (131), 3.191 (63) (-228). 2.963 (100) (4-15), 2.843 (99) (-444), 2.577 (49) (3-39). Siudaite is named after the Polish
Intralayer doping effects on the high-energy magnetic correlations in NaFeAs
Pelliciari, Jonathan; Huang, Yaobo; Das, Tanmoy; ...
2016-04-26
We used resonant inelastic x-ray scattering (RIXS) and dynamical susceptibility calculations to study the magnetic excitations in NaFe 1$-$xCo xAs ( x=0 , 0.03, and 0.08). Despite a relatively low ordered magnetic moment, collective magnetic modes are observed in parent compounds (x=0) and persist in optimally (x= 0.03) and overdoped (x = 0.08) samples. Their magnetic bandwidths are unaffected by doping within the range investigated. High-energy magnetic excitations in iron pnictides are robust against doping and present irrespectively of the ordered magnetic moment. Nonetheless, Co doping slightly reduces the overall magnetic spectral weight, differently from previous studies on hole-doped BaFemore » 2As 2 , where it was observed constant. Finally, we demonstrate that the doping evolution of magnetic modes is different for the dopants being inside or outside the Fe-As layer.« less
Modulated magnetic structure of F e3P O7 as seen by 57Fe Mössbauer spectroscopy
NASA Astrophysics Data System (ADS)
Sobolev, A. V.; Akulenko, A. A.; Glazkova, I. S.; Pankratov, D. A.; Presniakov, I. A.
2018-03-01
The paper reports results of the 57Fe Mössbauer measurements on an F e3P O4O3 powder sample recorded at various temperatures, including the point of magnetic phase transition TN≈163 K . The spectra measured above TN consist of a quadrupole doublet with high quadrupole splitting of Δ300 K≈1.10 mm /s , emphasizing that F e3 + ions are located in crystal positions with a strong electric-field gradient (EFG). To predict the sign and orientation of the main components of the EFG tensor, we calculated the EFG using the density-functional-theory approach. In the temperature range T
Atom exchange between aqueous Fe(II) and structural Fe in clay minerals.
Neumann, Anke; Wu, Lingling; Li, Weiqiang; Beard, Brian L; Johnson, Clark M; Rosso, Kevin M; Frierdich, Andrew J; Scherer, Michelle M
2015-03-03
Due to their stability toward reductive dissolution, Fe-bearing clay minerals are viewed as a renewable source of Fe redox activity in diverse environments. Recent findings of interfacial electron transfer between aqueous Fe(II) and structural Fe in clay minerals and electron conduction in octahedral sheets of nontronite, however, raise the question whether Fe interaction with clay minerals is more dynamic than previously thought. Here, we use an enriched isotope tracer approach to simultaneously trace Fe atom movement from the aqueous phase to the solid ((57)Fe) and from the solid into the aqueous phase ((56)Fe). Over 6 months, we observed a significant decrease in aqueous (57)Fe isotope fraction, with a fast initial decrease which slowed after 3 days and stabilized after about 50 days. For the aqueous (56)Fe isotope fraction, we observed a similar but opposite trend, indicating that Fe atom movement had occurred in both directions: from the aqueous phase into the solid and from the solid into aqueous phase. We calculated that 5-20% of structural Fe in clay minerals NAu-1, NAu-2, and SWa-1 exchanged with aqueous Fe(II), which significantly exceeds the Fe atom layer exposed directly to solution. Calculations based on electron-hopping rates in nontronite suggest that the bulk conduction mechanism previously demonstrated for hematite1 and suggested as an explanation for the significant Fe atom exchange observed in goethite2 may be a plausible mechanism for Fe atom exchange in Fe-bearing clay minerals. Our finding of 5-20% Fe atom exchange in clay minerals indicates that we need to rethink how Fe mobility affects the macroscopic properties of Fe-bearing phyllosilicates and its role in Fe biogeochemical cycling, as well as its use in a variety of engineered applications, such as landfill liners and nuclear repositories.
Cooking and Fe fortification have different effects on Fe bioavailability of bread and tortillas.
Hernández, Miguel; Sousa, Virginia; Villalpando, Salvador; Moreno, Ambar; Montalvo, Irene; López-Alarcón, Mardya
2006-02-01
To identify iron sources for wheat- (WF) and corn-flour (CF) fortification taking into account the effect of cooking. Sixty-six Fe-depleted rats were replete with various Fe sources. Fe bioavailability and utilization in wheat bread (WB) and corn tortillas (CT) fortified with various Fe sources was assessed after the depletion and repletion periods. Baking decreased the phytates content of WF by 97%. Improvements in Hb and FeHb were greater in rats fed unfortified WB than in those fed unfortified WF. Fe fortification had no benefit. In contrast, phytates content was unchanged by tortilla preparation, but fortification improved iron availability. Iron bioavailability indicators were best in rats fed CT fortified with ferrous sulfate and NaFe(III)EDTA than in those fed unfortified CT or CT plus reduced Fe. We concluded that baking WF bread improved the bioavailability of native Fe with no further effect of fortification. Pan-cooking of lime-treated CF did not improve Fe bioavailability, but addition of Ferrous sulfate or NaFe(III)EDTA did it, despite the high phytate and calcium content of tortillas.
NASA Astrophysics Data System (ADS)
Oshtrakh, M. I.; Alenkina, I. V.; Vinogradov, A. V.; Konstantinova, T. S.; Semionkin, V. A.
2015-04-01
Study of human spleen and liver tissues from healthy persons and two patients with mantle cell lymphoma and acute myeloid leukemia was carried out using Mössbauer spectroscopy with a high velocity resolution. Small variations in the 57Fe hyperfine parameters for normal and patient's tissues were detected and related to small variations in the 57Fe local microenvironment in ferrihydrite cores. The differences in the relative parts of more crystalline and more amorphous core regions were also supposed for iron storage proteins in normal and patients' spleen and liver tissues.
Huo, Jun Sheng; Yin, Ji Yong; Sun, Jing; Huang, Jian; Lu, Zhen Xin; Regina, Moench-Pfanner; Chen, Jun Shi; Chen, Chun Ming
2015-11-01
To assess the effect of sodium iron ethylenediaminetetraacetate (NaFeEDTA)-fortified soy sauce on anemia prevalence in the Chinese population. A systematic review was performed to identify potential studies by searching the electronic databases of PubMed, Cochrane Library, WHO Library, HighWire, CNKI, and other sources. The selection criteria included randomized controlled trials that compared the efficacy of NaFeEDTA-fortified soy sauce with that of non-fortified soy sauce. Anemia rates and hemoglobin levels were the outcomes of interest. Inclusion decisions, quality assessment, and data extraction were performed by two reviewers independently. A total of 16 studies met the inclusion criteria for anemia rate analysis, of which 12 studies met the inclusion criteria for hemoglobin analysis. All included studies assessed the effect of NaFeEDTA-fortified soy sauce on anemia rates and hemoglobin concentrations. After the intervention, the hemoglobin concentration increased and anemia rates decreased significantly as compared with the non-fortified soy sauce groups. For anemia rates, data from 16 studies could be pooled, and the pooled estimate odds ratio was 0.25 (95% CI 0.19-0.35). For hemoglobin concentrations, data from 12 studies could be pooled, and the pooled weighted mean difference was 8.81 g/L (95% CI 5.96-11.67). NaFeEDTA-fortified soy sauce has a positive effect on anemia control and prevention in the at-risk population. Copyright © 2015 The Editorial Board of Biomedical and Environmental Sciences. Published by China CDC. All rights reserved.
Wang, Beibei; Zhang, Xing; Liu, Xiaojie; Wang, Gang; Wang, Hui; Bai, Jintao
2018-05-24
In the current research project, we have prepared a novel Fe 3 O 4 @mesoporous carbon nanorod (denoted as Fe 3 O 4 @C) anode with yolk-shell structure for Li/Na-ion batteries via one-pot and surfactant-free synthesis strategy. The yolk-shell structure consists of Fe 3 O 4 nanorod yolk completely protected by a well-conductive mesoporous carbon shell. The substantial void space in the Fe 3 O 4 @C yolk-shell nanorod can not only accommodate the full volume expansion of inner Fe 3 O 4 nanorod, but also preserve the structural integrity of the Fe 3 O 4 @C anode and develop a stable SEI film on the outside mesoporous carbon shell during the repeated Li + /Na + insertion/extraction processes. As for lithium storage, the Fe 3 O 4 @C electrode exhibits a high specific capacity (1247 mAh g -1 ), stable cycling performance (a specific capacity of 954 mAh g -1 after 200 cycles at a current density of 0.5 A g -1 ) and excellent rate capability (specific capabilities of 1122, 958, 783, 577, and 374 mAh g -1 at 0.5, 1, 2, 4, and 8 A g -1 , respectively). As for sodium storage, the Fe 3 O 4 @C yolk-shell nanorods also maintain a reversible capacity of approximate 424 mAh g -1 at 0.1 A g -1 after 100 cycles. Copyright © 2018. Published by Elsevier Inc.
NASA Astrophysics Data System (ADS)
Dingwell, Donald B.; Brearley, Mark
1988-12-01
The densities of 10 melts in the CaO-FeO-Fe 2O 3-SiO 2 system were determined in equilibrium with air, in the temperature range of 1200 to 1550°C, using the double-bob Archimedean technique. Melt compositions range from 6 to 58 wt% SiO 2, 14 to 76 wt% Fe 2O 3 and 10 to 46 wt% CaO. The ferric-ferrous ratios of glasses drop-quenched from loop fusion equilibration experiments were determined by 57Fe Mössbauer spectroscopy. Melt densities range from 2.689 to 3.618 gm/cm 3 with a mean standard deviation from replicate experiments of 0.15%. Least-squares regressions of molar volume versus molar composition have been performed and the root mean squared deviation shows that a linear combination of partial molar volumes for the oxide components (CaO, FeO, Fe 2O 3 and SiO 2) cannot describe the data set within experimental error. Instead, the inclusion of excess terms in CaFe 3+ and CaSi (product terms using the oxides) is required to yield a fit that describes the experimental data within error. The nonlinear compositional-dependence of the molar volumes of melts in this system can be explained by structural considerations of the roles of Ca and Fe 3+. The volume behavior of melts in this system is significantly different from that in the Na 2O-FeO-Fe 2O 3-SiO 2 system, consistent with the proposal that a proportion of Fe 3+ in melts in the CaO-FeO-Fe 2O 3-SiO 2 system is not tetrahedrally-coordinated by oxygen, which is supported by differences in 57Fe Mössbauer spectra of glasses. Specifically, this study confirms that the 57Fe Mössbauer spectra exhibit an area asymmetry and higher values of isomer shift of the ferric doublet that vary systematically with composition and temperature (this study; Dingwell and Virgo, 1987, 1988). These observations are consistent with a number of other lines of evidence ( e.g., homogeneous redox equilibria, Dickenson and Hess, 1986; viscosity, Dingwell and Virgo, 1987,1988). Two species of ferric iron, varying in proportions with
The enhancement in optical and magnetic properties of Na-doped LaFeO3
NASA Astrophysics Data System (ADS)
Devi, E.; Kalaiselvi, B. J.
2018-04-01
La1-xNaxFeO3(x=0.00 and 0.05) were synthesized by sol-gel auto-combustion method. No evidence of impurity phase and the peak (121) slightly shift towards lower angle is confirmed by X-ray diffraction analysis (XRD). The UV-visible spectra show strong absorption peak centered at approximately 231 nm and the calculated optical band gap are found to be 2.73eV, 2.36eV for x = 0.00 and 0.05, respectively. The M-H loop of pure sample is anti-ferromagnetic, whereas those of the Na doped sample shows enhanced ferromagnetic behavior. The remnant magnetization (Mr), saturation magnetization (Ms) and coercive field (Hc) of Na-doped sample are enhanced to 1.06emu/g, 5.39emu/g and 182.84kOe, respectively.
Electrochemical activity of Fe-MIL-100 as a positive electrode for Na-ion batteries
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sava Gallis, Dorina F.; Pratt III, Harry D.; Anderson, Travis M.
2016-01-01
Here we investigate the electrochemical activity of metal-organic frameworks (MOFs) as positive electrodes for Na-ion batteries in coin cell configurations. The performance of Fe-MIL-100 material is highly dependent on the choice of sodium salt source, and electrolyte system. The overall capacity fades over many cycles, however the high Coulombic efficiency is maintained. This can be correlated with inaccessibility of active sites for Na intercalation, due to the increase of extra carbonaceous material inside the pores. High resolution synchrotron powder X-ray and pair distribution function analyses of the as-made and cycled electrodes reveal the structure maintains the long-range order with progressivemore » cycling. This finding suggests that careful consideration of all variables in battery components, and especially electrolyte selection can lead to greatly improved performances.« less
Early effects of whole-body (56)Fe irradiation on hippocampal function in C57BL/6J mice.
Haley, Gwendolen E; Yeiser, Lauren; Olsen, Reid H J; Davis, Matthew J; Johnson, Lance A; Raber, Jacob
2013-05-01
Relatively little is known about early irradiation effects on hippocampal function in wild-type mice. In this study, the effects of (56)Fe irradiation on hippocampal function were assessed starting 2 weeks after whole-body irradiation. Compared to sham irradiation, radiation impaired novel object recognition in female and male C57BL/6J wild-type mice. There were no effects of irradiation on contextual fear conditioning or spatial memory retention in the water maze. It is possible that oxidative damage might contribute to radiation-induced cognitive changes. Therefore, hippocampal and cortical levels of 3-nitrotyrosine (3NT) and lipid peroxidation, measures of oxidative damage were assessed. There were no effects of irradiation on these measures of oxidative damage. As (56)Fe irradiation can increase reactive oxygen species (ROS) levels, which may contribute to the impairments in novel object recognition, the effects of the antioxidant alpha-lipoic acid (ALA) on cognition following sham irradiation and irradiation were also assessed. ALA did not prevent radiation-induced impairments in novel object recognition and impaired spatial memory retention of sham-irradiated and irradiated mice in the probe trial after the first day of hidden platform training in the water maze. Thus, the novel object recognition test is particularly sensitive to detect early cognitive effects of (56)Fe irradiation through a mechanism unlikely involving ROS or oxidative damage.
NASA Astrophysics Data System (ADS)
Munayco, P.; Munayco, J.; Valenzuela, M.; Rochette, P.; Gattacceca, J.; Scorzelli, R. B.
2014-01-01
Some terrestrial areas have climatic and geomorphologic features that favor the preservation, and therefore, accumulation of meteorites. The Atacama Desert in Chile is among the most important of such areas, known as dense collection areas. This desert is the driest on Earth, one of the most arid, uninhabitable locals with semi-arid, arid and hyper-arid conditions. The meteorites studied here were collected from within the dense collection area of San Juan at the Central Depression and Coastal Range of Atacama Desert. 57Fe Mössbauer spectroscopy was used for quantitative analysis of the degree of weathering of the meteorites, through the determination of the proportions of the various Fe-bearing phases and in particular the amount of oxidized iron in the terrestrial alteration products. The abundance of ferric ions in weathered chondrites can be related to specific precursor compositions and to the level of terrestrial weathering. The aim of the study was the identification, quantification and differentiation of the weathering products in the ordinary chondrites found in the San Juan area of Atacama Desert.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bud'ko, Sergey L.; Chung, Duck Young; Bugaris, Daniel
2014-01-16
We present the evolution of the initial (up to ~ 10 kbar) hydrostatic pressure dependencies of T c and of the ambient pressure, and the jump in the heat capacity associated with the superconducting transition as a function of Na doping in the Ba1-xNaxFe2As2 family of iron-based superconductors. For Na concentrations 0.15 ≤ x ≤ 0.9, the jump in specific heat at T c, ΔC p| Tmore » $$_c$$, follows the ΔC p ∝ to T 3 (the so-called BNC scaling) found for most BaFe 2As 2 based superconductors. This finding suggests that, unlike the related Ba 1-xK xFe 2As 2 series, there is no significant modification of the superconducting state (e. g., change in superconducting gap symmetry) in the Ba 1-xNa xFe 2As 2 series over the whole studied Na concentration range. Pressure dependencies are nonmonotonic for x = 0.2 and 0.24. For other Na concentrations, T c decreases under pressure in an almost linear fashion. The anomalous behavior of the x = 0.2 and 0.24 samples under pressure is possibly due to the crossing of the phase boundaries of the narrow antiferromagnetic tetragonal phase, unique for the Ba 1-xNa xFe 2As 2 series, with the application of pressure. The negative sign of the pressure derivatives of T c across the whole superconducting dome (except for x = 0.2) is a clear indication of the nonequivalence of substitution and pressure for the Ba 1-xNa xFe 2As 2 series.« less
NASA Astrophysics Data System (ADS)
Siregar, N.; Indrayana, I. P. T.; Suharyadi, E.; Kato, T.; Iwata, S.
2017-05-01
Mn0.5Zn0.5Fe2O4 nanoparticles have been successfully synthesized through coprecipitation method by varying NaOH concentrations from 0.5 M to 6 M and synthesis temperatures from 30 to 120 °C. The X-ray diffraction (XRD) pattern indicates samples consisting of multiphase structures such as spinel of Mn0.5Zn0.5Fe2O4, α-MnO2, ZnO, λ-MnO2, and γ-Fe2O3. The crystallite size of Mn0.5Zn0.5Fe2O4 is in the range of 14.1 to 26.7 nm. The Transmission electron microscope (TEM) image shows that sample was agglomerate. The hysteresis loops confirm that nanoparticles are soft magnetic materials with low coercivity (H c) in the range of 45.9 to 68.5 Oe. Those values increased relatively with increasing particles size. For NaOH concentration variation, the maximum magnetization of the sample increased from 10.4 emu/g to 11.6 emu/g with increasing ferrite content. Meanwhile, the maximum magnetization increased from 7.9 to 15.7 emu/g for samples with various synthesis temperature. The highest coercivity of 68.5 Oe was attained for a sample of 6 M NaOH under 90 °C. The highest magnetization of 15.7 emu/g was achieved for a sample of 1.5 M NaOH under 120 °C caused by the maximum crystallinity of sample.
Sun, Liqi; Xie, Yingying; Liao, Xiao-Zhen; Wang, Hong; Tan, Guoqiang; Chen, Zonghai; Ren, Yang; Gim, Jihyeon; Tang, Wan; He, Yu-Shi; Amine, Khalil; Ma, Zi-Feng
2018-04-18
O3-type NaNi 1/3 Fe 1/3 Mn 1/3 O 2 (NaNFM) is well investigated as a promising cathode material for sodium-ion batteries (SIBs), but the cycling stability of NaNFM still needs to be improved by using novel electrolytes or optimizing their structure with the substitution of different elements sites. To enlarge the alkali-layer distance inside the layer structure of NaNFM may benefit Na + diffusion. Herein, the effect of Ca-substitution is reported in Na sites on the structural and electrochemical properties of Na 1- x Ca x /2 NFM (x = 0, 0.05, 0.1). X-ray diffraction (XRD) patterns of the prepared Na 1- x Ca x /2 NFM samples show single α-NaFeO 2 type phase with slightly increased alkali-layer distance as Ca content increases. The cycling stabilities of Ca-substituted samples are remarkably improved. The Na 0.9 Ca 0.05 Ni 1/3 Fe 1/3 Mn 1/3 O 2 (Na 0.9 Ca 0.05 NFM) cathode delivers a capacity of 116.3 mAh g -1 with capacity retention of 92% after 200 cycles at 1C rate. In operando XRD indicates a reversible structural evolution through an O3-P3-P3-O3 sequence of Na 0.9 Ca 0.05 NFM cathode during cycling. Compared to NaNMF, the Na 0.9 Ca 0.05 NFM cathode shows a wider voltage range in pure P3 phase state during the charge/discharge process and exhibits better structure recoverability after cycling. The superior cycling stability of Na 0.9 Ca 0.05 NFM makes it a promising material for practical applications in sodium-ion batteries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Temperature Driven Topological Switch in 1T'-MoTe2 and Strain Induced Nematicity in NaFeAs
NASA Astrophysics Data System (ADS)
Berger, Ayelet Denise Notis
Quasiparticle interference (QPI) is a powerful technique within Scanning Tunneling Microscopy (STM) that is used to probe the electronic bandstructure of materials. This thesis presents two examples using QPI to measure the bandstructure in materials with exotic electronic states that can be tuned via outside parameters (temperature and strain). In Part I of the thesis, we discuss the temperature dependence of Fermi Arcs in 1T'-MoTe 2, and then in Part II, the strain dependent nematic state in NaFeAs. The recent discovery of Weyl semimetals has introduced a new family of materials with topologically protected electronic properties and potential applications due to their anomalous transport effects. Even more useful is a Weyl semimetal that can be turned "on" and "off," switching between a topological and trivial state. One possible material is MoTe2, which undergoes a phase transition at 240K. This thesis consists of experiments using Scanning Tunneling Microscopy (STM) and Spectroscopy (STS) at different temperatures to visualize changes in the electronic bandstructure of MoTe2 across the topological phase transition. We show that a signature of topologically protected Fermi Arcs is present at low temperatures but disappears at room temperature, in the trivial phase. We include an in-depth discussion of how to account for thermal effects when comparing these two types of measurements. In Part II, we discuss strain induced nematicity in NaFeAs, an iron pnictide. Nematic fluctuations and spin correlations play an important role in the phase diagram of the iron pnictides, a family of unconventional superconductors. Illuminating the mechanism behind this symmetry breaking is key to understanding the superconducting state. Previous work has shown that nematicity in the iron pnictides responds strongly to applied strain [1, 2]. In this thesis, I present results from a new experimental technique, elasto-scanning tunneling microscopy (E-STM), which combines in situ strain
Magnetic upconverting fluorescent NaGdF4:Ln3+ and iron-oxide@NaGdF4:Ln3+ nanoparticles
NASA Astrophysics Data System (ADS)
Shrivastava, Navadeep; Rocha, Uéslen; Muraca, Diego; Jacinto, Carlos; Moreno, Sergio; Vargas, J. M.; Sharma, S. K.
2018-05-01
Microwave assisted solvothermal method has been employed to synthesize multifunctional upconverting β-NaGdF4:Ln3+ and magnetic-upconverting Fe3O4/γ-Fe2O3@NaGdF4:Ln3+ (Ln = Yb and Er) nanoparticles. The powder x-ray diffraction data confirms the hexagonal structure of NaGdF4:Ln3+ and high resolution transmission electron microscopy shows the formation of rod shaped NaGdF4:Ln3+ (˜ 20 nm) and ovoid shaped Fe3O4/γ-Fe2O3@NaGdF4:Ln3+ (˜ 15 nm) nanoparticles. The magnetic hysteresis at 300 K for β-NaGdF4:Ln3+ demonstrates paramagnetic features, whereas iron-oxide@β-NaGdF4:Ln3+ exhibits superparamagnetic behavior along with a linear component at large applied field due to paramagnetic NaGdF4 matrix. Both nanoparticle samples provide an excellent green emitting [(2H11/2, 4S3/2)→4I15/2 (˜ 540 nm)] upconversion luminescence emission under excitation at 980 nm. The energy migration between Yb and Er in NaGdF4 matrix has been explored from 300-800 nm. Intensity variation of blue, green and red lines and the observed luminescence quenching due to the presence of Fe3O4/γ-Fe2O3 in the composite has been proposed. These kinds of materials contain magnetic and luminescence characteristics into single nanoparticle open new possibility for bioimaging applications.
Kwon, Sangil; Kang, Byeongki; Kim, Changsoo; Jo, Euna; Lee, Soonchil; Chai, Yi Sheng; Chun, Sae Hwan; Kim, Kee Hoon
2014-04-09
The magnetoelectric properties of hexaferrite Ba0.5Sr1.5Zn2Fe12O22 are significantly improved by Al substitution and thermal annealing. Measuring the enhancement factor of 57Fe NMR, we found direct microscopic evidence that the magnetic moments of the L and S blocks are rotated by a magnetic field in such a way as to increase the net magnetic moment of a magnetic unit, even after the field is removed. Al substitution makes magnetoelectric property arise easily by suppressing the easy-plane anisotropy. The effect of thermal annealing is to stabilize the multiferroic state by reducing the number of pinning sites and the electron spin fluctuation. The transverse conic structure gradually changes to the alternating longitudinal conic structure where spins fluctuate more severely.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rastsvetaeva, R. K., E-mail: rast@ns.crys.ras.ru; Aksenov, S. M.
2012-05-15
A mineral belonging to the amphibole family found at the Rothenberg paleovolcano (Eifel, Germany) was studied by single-crystal X-ray diffraction. The triclinic pseudomonoclinic unit-cell parameters are a = 5.3113(1) Angstrom-Sign , b = 18.0457(3) Angstrom-Sign ; c = 9.8684(2) Angstrom-Sign , {alpha} = 90.016(2) Degree-Sign , {beta} = 105.543(4) Degree-Sign , {gamma} = 89.985(2) Degree-Sign . The structure was solved by direct methods in sp. gr. P1 and refined to the R factor of 2.7% based on 6432 reflections with |F| > 3{sigma}(F) taking into account twinning. The mineral with the idealized formula (Na,Ca,K){sub 2}(Ca,Na){sub 4}(Mg,Fe){sub 5}(Mg,Fe,Ti){sub 5}[Si{sub 12}Al{sub 4}O{submore » 44}](F,O){sub 4} has some symmetry and structural features that distinguish it from other minerals of this family.« less
Possible cage motion of interstitial Fe in α-Al 2 O 3
NASA Astrophysics Data System (ADS)
Gunnlaugsson, H. P.; Johnston, K.; Masenda, H.; Mantovan, R.; Mølholt, T. E.; Bharuth-Ram, K.; Gislason, H. P.; Langouche, G.; Madsen, M. B.; Naidoo, D.; Ólafsson, S.; Weyer, G.
2013-04-01
In addition to spectral components due to Fe2 + and Fe3 + , a single line is observed in emission Mössbauer spectra following low fluence (<1015 cm - 2) implantation of 57Fe*, 57Mn and 57Co in α-Al2O3. For the 57Co and 57Mn implantations, the intensity of the single line is found to depend on the emission angle relative to the crystal symmetry axis. This angular dependence can be explained by a non-isotropic f-factor and/or motion of the Fe ion between sites in an interstitial cage. It is argued that interstitial cage motion is a more likely explanation, as this can account for the lack of quadrupole splitting of the line.
Synthèse et étude structrale de lyonsite-type (Na0,4,Li0,6)(Fe,Li2)(MoO4)3
Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed
2015-01-01
The new compound (Na0.4,Li0.6)(Fe,Li2)(MoO4)3 was synthesized by cooling from the melt. Its anionic framework is built up from two distinct MO6 octahedra, each containing disordered Li+ and Fe3+ ions in 0.6:0.4 and 0.7:0.3 ratios, and two MoO4 tetrahedra, which link by vertex-sharing of their O atoms. These tetrameric units are further linked by sharing edges between octahedra and by formation of M—O—Mo (M = Fe/Li) bridges, forming ribbons propagating in the [100] direction. The ribbons are cross-linked in both the b- and c-axis directions, giving rise to a three-dimensional framework having [100] tunnels in which the monovalent Na+/Li+ cations (0.4:0.6 ratio) lie. Bond-valence calculations are consistent with the disorder model for the cations. The structure of the title compound, which is isotypic with Li3Fe(MoO4)3 and Li3Ga(MoO4)3, is compared briefly with those of LiFeMo2O8 and Li1.6Mn2.2(MoO4)3. PMID:26090130
Thermal neutron capture cross section for 56Fe(n ,γ )
NASA Astrophysics Data System (ADS)
Firestone, R. B.; Belgya, T.; Krtička, M.; Bečvář, F.; Szentmikloṡi, L.; Tomandl, I.
2017-01-01
The 56Fe(n ,γ ) thermal neutron capture cross section and the 57Fe level scheme populated by this reaction have been investigated in this work. Singles γ -ray spectra were measured with an isotopically enriched 56Fe target using the guided cold neutron beam at the Budapest Reactor, and γ γ -coincidence data were measured with a natural Fe target at the LWR-15 research reactor in Řež, Czech Republic. A detailed level scheme consisting of 448 γ rays populating/depopulating 97 levels and the capture state in 57Fe has been constructed, and ≈99 % of the total transition intensity has been placed. The transition probability of the 352-keV γ ray was determined to be Pγ(352 ) =11.90 ±0.07 per 100 neutron captures. The 57Fe level scheme is substantially revised from earlier work and ≈33 previously assigned levels could not be confirmed while a comparable number of new levels were added. The 57Feγ -ray cross sections were internally calibrated with respect to 1H and 32Sγ -ray cross section standards using iron(III) acetylacetonate (C15H21FeO6) and iron pyrite (FeS2) targets. The thermal neutron cross section for production of the 352-keV γ -ray cross section was determined to be σγ(352 ) =0.2849 ±0.015 b. The total 56Fe(n ,γ ) thermal radiative neutron cross section is derived from the 352-keV γ -ray cross section and transition probability as σ0=2.394 ±0.019 b. A least-squares fit of the γ rays to the level scheme gives the 57Fe neutron separation energy Sn=7646.183 ±0.018 keV.
Hou, Bao-Hua; Wang, Ying-Ying; Guo, Jin-Zhi; Zhang, Yu; Ning, Qiu-Li; Yang, Yang; Li, Wen-Hao; Zhang, Jing-Ping; Wang, Xin-Long; Wu, Xing-Long
2018-01-31
A novel core-shell Fe 3 O 4 @FeS composed of Fe 3 O 4 core and FeS shell with the morphology of regular octahedra has been prepared via a facile and scalable strategy via employing commercial Fe 3 O 4 as the precursor. When used as anode material for sodium-ion batteries (SIBs), the prepared Fe 3 O 4 @FeS combines the merits of FeS and Fe 3 O 4 with high Na-storage capacity and superior cycling stability, respectively. The optimized Fe 3 O 4 @FeS electrode shows ultralong cycle life and outstanding rate capability. For instance, it remains a capacity retention of 90.8% with a reversible capacity of 169 mAh g -1 after 750 cycles at 0.2 A g -1 and 151 mAh g -1 at a high current density of 2 A g -1 , which is about 7.5 times in comparison to the Na-storage capacity of commercial Fe 3 O 4 . More importantly, the prepared Fe 3 O 4 @FeS also exhibits excellent full-cell performance. The assembled Fe 3 O 4 @FeS//Na 3 V 2 (PO 4 ) 2 O 2 F sodium-ion full battery gives a reversible capacity of 157 mAh g -1 after 50 cycles at 0.5 A g -1 with a capacity retention of 92.3% and the Coulombic efficiency of around 100%, demonstrating its applicability for sodium-ion full batteries as a promising anode. Furthermore, it is also disclosed that such superior electrochemical properties can be attributed to the pseudocapacitive behavior of FeS shell as demonstrated by the kinetics studies as well as the core-shell structure. In view of the large-scale availability of commercial precursor and ease of preparation, this study provide a scalable strategy to develop advanced anode materials for SIBs.
Liu, Zhanmeng; Li, Xian; Rao, Zhiwei; Hu, Fengping
2018-02-15
Nano-Fe 3 O 4 was used as heterogeneous catalyst to activate Na 2 S 2 O 8 for the generation of the sulfate radicals (SO 4 - ) to oxidize the residual pollutants in landfill leachate biochemical effluent. The oxidation performance, wastewater spectral analysis and activator characterization were discussed. Oxidation experimental result shows that nano-Fe 3 O 4 has obvious catalytic effect on Na 2 S 2 O 8 and can significantly enhance the oxidation efficiencies of Na 2 S 2 O 8 on landfill leachate biochemical effluent, with COD and color removals above 63% and 95%, respectively. Based on the analyses of three-dimensional excitation emission matrix fluorescence spectrum (3DEEM), ultraviolet-visible spectra (UV-vis), and Fourier Transform infrared spectroscopy (FTIR) of wastewater samples before and after treatment, it can be concluded that the pollution level of dissolved organic matter (DOM) declined and that the humic acid (HA) fractions were efficiently degraded into small molecules of fulvic acid (FA) fractions with less weight and stable structure. Compared to the raw wastewater sample, the aromaticity and substituent groups of the DOM were lessened in the treated wastewater sample. Moreover, the main structure of the organics and functional groups were changed by the Fe 3 O 4 /Na 2 S 2 O 8 system, with substantial decrease of conjugated double bonds. The micro morphology of nano-Fe 3 O 4 was characterized before and after reaction by the methods of scanning electron microscope spectra (SEM), X-ray diffraction pattern (XRD), and X-ray photoelectron spectroscopy (XPS). The XRD pattern analysis showed that nano-Fe 3 O 4 was oxidized into r-Fe 2 O 3 and that the particle size of it also became smaller after reaction. XPS was employed to analyze the content and iron valence on the nano-Fe 3 O 4 surface, and it can be found that the ratio of Fe 3+ /Fe 2+ decreased from 1.8 before reaction to 0.8 after reaction. From the SEM analysis after the treatment, it was
Rojas, Carmen L; Romera, Francisco J; Alcántara, Esteban; Pérez-Vicente, Rafael; Sariego, Cristina; Garcaí-Alonso, J Ignacio; Boned, Javier; Marti, Gabriel
2008-11-26
The FeEDDHA [iron(3+) ethylenediamine di(o-hydroxyphenylacetic) acid] is one of the most efficient iron chelates employed in the correction of iron clorosis in calcareous soils. FeEDDHA presents different positional isomers: the ortho-ortho (o,o), the ortho-para (o,p), and the para-para (p,p). Of these isomers, the p,p cannot chelate Fe in soil solution in a wide range of pH values, while both o,o and o,p can. The objective of this work was to compare the efficiency of both isomers (o,o and o,p) to provide Fe to two Strategy I plants (tomato and peach) in nutrient solution (pH approximately 6.0), as well as in calcareous soil (pH approximately 8.4; CALCIXEREPT). For this, chelates of both o,o-EDDHA and o,p-EDDHA with 57Fe (a nonradioactive isotope of Fe) were used, where the 57Fe acts as a tracer. The results obtained showed that the o,o isomer is capable of providing sufficient Fe to plants in both nutrient solution and calcareous soil. However, the o,p isomer is capable of providing sufficient Fe to plants in nutrient solution but not in calcareous soil.
Wan, Hongli; Mwizerwa, Jean Pierre; Qi, Xingguo; Liu, Xin; Xu, Xiaoxiong; Li, Hong; Hu, Yong-Sheng; Yao, Xiayin
2018-03-27
High ionic conductivity electrolyte and intimate interfacial contact are crucial factors to realize high-performance all-solid-state sodium batteries. Na 2.9 PS 3.95 Se 0.05 electrolyte with reduced particle size of 500 nm is first synthesized by a simple liquid-phase method and exhibits a high ionic conductivity of 1.21 × 10 -4 S cm -1 , which is comparable with that synthesized with a solid-state reaction. Meanwhile, a general interfacial architecture, that is, Na 2.9 PS 3.95 Se 0.05 electrolyte uniformly anchored on Fe 1- x S nanorods, is designed and successfully prepared by an in situ liquid-phase coating approach, forming core-shell structured Fe 1- x S@Na 2.9 PS 3.95 Se 0.05 nanorods and thus realizing an intimate contact interface. The Fe 1- x S@Na 2.9 PS 3.95 Se 0.05 /Na 2.9 PS 3.95 Se 0.05 /Na all-solid-state sodium battery demonstrates high specific capacity and excellent rate capability at room temperature, showing reversible discharge capacities of 899.2, 795.5, 655.1, 437.9, and 300.4 mAh g -1 at current densities of 20, 50, 100, 150, and 200 mA g -1 , respectively. The obtained all-solid-state sodium batteries show very high energy and power densities up to 910.6 Wh kg -1 and 201.6 W kg -1 based on the mass of Fe 1- x S at current densities of 20 and 200 mA g -1 , respectively. Moreover, the reaction mechanism of Fe 1- x S is confirmed by means of ex situ X-ray diffraction techniques, showing that partially reversible reaction occurs in the Fe 1- x S electrode after the second cycle, which gives the obtained all-solid-state sodium battery an exceptional cycling stability, exhibiting a high capacity of 494.3 mAh g -1 after cycling at 100 mA g -1 for 100 cycles. This contribution provides a strategy for designing high-performance room temperature all-solid-state sodium battery.
Mössbauer and X-ray study of biodegradation of 57Fe3 O 4 magnetic nanoparticles in rat brain
NASA Astrophysics Data System (ADS)
Gabbasov, R. R.; Cherepanov, V. M.; Chuev, M. A.; Lomov, A. A.; Mischenko, I. N.; Nikitin, M. P.; Polikarpov, M. A.; Panchenko, V. Y.
2016-12-01
Biodegradation of a 57Fe3 O 4 - based dextran - stabilized ferrofluid in the ventricular cavities of the rat brain was studied by X-ray diffraction and Mössbauer spectroscopy. A two-step process of biodegradation, consisting of fast disintegration of the initial composite magnetic beads into separate superparamagnetic nanoparticles and subsequent slow dissolution of the nanoparticles has been found. Joint fitting of the couples of Mössbauer spectra measured at different temperatures in the formalism of multi-level relaxation model with one set of fitting parameters, allowed us to measure concentration of exogenous iron in the rat brain as a function of time after the injection of nanoparticles.
H+-induced irradiation damage resistance in Fe- and Ni-based metallic glass
NASA Astrophysics Data System (ADS)
Zhang, Hongran; Mei, Xianxiu; Zhang, Xiaonan; Li, Xiaona; Wang, Yingmin; Sun, Jianrong; Wang, Younian
2016-05-01
In this study, use of 40-keV H+ ion for irradiating metallic glass Fe80Si7.43B12.57 and Ni62Ta38 as well as metallic tungsten (W) at fluences of 1 × 1018 and 3 × 1018 ions/cm2, respectively, was investigated. At the fluence of 1 × 1018 ions/cm2, a crystalline layer appeared in metallic glass Fe80Si7.43B12.57, with α-Fe as the major crystalline phase, coupled with a little Fe2B, Fe3B, and metastable β-Mn-type phase. Fe80Si7.43B12.57 exhibited good soft magnetic properties after irradiation. At the fluence of 3 × 1018 ions/cm2, Ni62Ta38 was found to be amorphous-based, with a little μ-NiTa and Ni3Ta phases. No significant irradiation damage phenomenon appeared in metallic glasses Fe80Si7.43B12.57 and Ni62Ta38. Blistering, flaking, and other damage occurred on the surface of metallic W, and the root-mean-square (RMS) roughness increased with the increase of fluence. Metallic glass Ni62Ta38 exhibited better resistance to H+ irradiation than Fe80Si7.43B12.57, both of which were superior to the metallic W.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sanjeewa, Liurukara D.; Garlea, Vasile O.; McGuire, Michael A.
The structural and magnetic properties of a glaserite-type Na 2BaFe(VO 4) 2 compound, featuring a triangular magnetic lattice of Fe 2+ (S = 2), are reported. Temperature dependent X-ray single crystal studies indicate that at room temperature the system adopts a trigonal Pmore » $$\\bar{3}$$ m1 structure and undergoes a structural phase transition to a C2/c monoclinic phase slightly below room temperature (T s = 288 K). This structural transition involves a tilting of Fe–O–V bond angles and strongly influences the magnetic correlation within the Fe triangular lattice. The magnetic susceptibility measurements reveal a ferromagnetic transition near 7 K. Single crystal neutron diffraction confirms the structural distortion and the ferromagnetic spin ordering in Na 2BaFe(VO 4) 2. The magnetic structure of the ordered state is modeled in the magnetic space group C2'/c' that implies a ferromagnetic order of the a and c moment components and antiferromagnetic arrangement for the b components. Altogether, the Fe magnetic moments form ferromagnetic layers that are stacked along the c-axis, where the spins point along one of the (111) facets of the FeO 6 octahedron.« less
Sanjeewa, Liurukara D.; Garlea, Vasile O.; McGuire, Michael A.; ...
2017-12-07
The structural and magnetic properties of a glaserite-type Na 2BaFe(VO 4) 2 compound, featuring a triangular magnetic lattice of Fe 2+ (S = 2), are reported. Temperature dependent X-ray single crystal studies indicate that at room temperature the system adopts a trigonal Pmore » $$\\bar{3}$$ m1 structure and undergoes a structural phase transition to a C2/c monoclinic phase slightly below room temperature (T s = 288 K). This structural transition involves a tilting of Fe–O–V bond angles and strongly influences the magnetic correlation within the Fe triangular lattice. The magnetic susceptibility measurements reveal a ferromagnetic transition near 7 K. Single crystal neutron diffraction confirms the structural distortion and the ferromagnetic spin ordering in Na 2BaFe(VO 4) 2. The magnetic structure of the ordered state is modeled in the magnetic space group C2'/c' that implies a ferromagnetic order of the a and c moment components and antiferromagnetic arrangement for the b components. Altogether, the Fe magnetic moments form ferromagnetic layers that are stacked along the c-axis, where the spins point along one of the (111) facets of the FeO 6 octahedron.« less
Chemical mixing at “Al on Fe” and “Fe on Al” interfaces
DOE Office of Scientific and Technical Information (OSTI.GOV)
Süle, P.; Horváth, Z. E.; Kaptás, D.
2015-10-07
The chemical mixing at the “Al on Fe” and “Fe on Al” interfaces was studied by molecular dynamics simulations of the layer growth and by {sup 57}Fe Mössbauer spectroscopy. The concentration distribution along the layer growth direction was calculated for different crystallographic orientations, and atomically sharp “Al on Fe” interfaces were found when Al grows over (001) and (110) oriented Fe layers. The Al/Fe(111) interface is also narrow as compared to the intermixing found at the “Fe on Al” interfaces for any orientation. Conversion electron Mössbauer measurements of trilayers—Al/{sup 57}Fe/Al and Al/{sup 57}Fe/Ag grown simultaneously over Si(111) substrate by vacuummore » evaporation—support the results of the molecular dynamics calculations.« less
Del Castillo, Trevor J; Thompson, Niklas B; Peters, Jonas C
2016-04-27
The mechanisms of the few known molecular nitrogen-fixing systems, including nitrogenase enzymes, are of much interest but are not fully understood. We recently reported that Fe-N2 complexes of tetradentate P3(E) ligands (E = B, C) generate catalytic yields of NH3 under an atmosphere of N2 with acid and reductant at low temperatures. Here we show that these Fe catalysts are unexpectedly robust and retain activity after multiple reloadings. Nearly an order of magnitude improvement in yield of NH3 for each Fe catalyst has been realized (up to 64 equiv of NH3 produced per Fe for P3(B) and up to 47 equiv for P3(C)) by increasing acid/reductant loading with highly purified acid. Cyclic voltammetry shows the apparent onset of catalysis at the P3(B)Fe-N2/P3(B)Fe-N2(-) couple and controlled-potential electrolysis of P3(B)Fe(+) at -45 °C demonstrates that electrolytic N2 reduction to NH3 is feasible. Kinetic studies reveal first-order rate dependence on Fe catalyst concentration (P3(B)), consistent with a single-site catalyst model. An isostructural system (P3(Si)) is shown to be appreciably more selective for hydrogen evolution. In situ freeze-quench Mössbauer spectroscopy during turnover reveals an iron-borohydrido-hydride complex as a likely resting state of the P3(B)Fe catalyst system. We postulate that hydrogen-evolving reaction activity may prevent iron hydride formation from poisoning the P3(B)Fe system. This idea may be important to consider in the design of synthetic nitrogenases and may also have broader significance given that intermediate metal hydrides and hydrogen evolution may play a key role in biological nitrogen fixation.
X-ray diffraction and infrared spectroscopy studies of Ba(Fe1/2Nb1/2)O3-(Na1/2Bi1/2)TiO3 ceramics
NASA Astrophysics Data System (ADS)
Chandra, K. P.; Yadav, Anjana; Prasad, K.
2018-05-01
Ceramics (1-x)Ba(Fe1/2Nb1/2)O3-x(Na1/2Bi1/2)TiO3; 0≤x≤1.0 were prepared by conventional ceramic synthesis technique. Rietveld refinements of X-ray diffraction data of these ceramics were carried out using FullProf software and determined their crystal symmetry, space group and unit cell dimensions. Rietveld refinement revealed that Ba(Fe1/2Nb1/2)O3 has cubic structure with space group Pm 3 ¯ m and Na1/2Bi1/2)TiO3 has rhombohedral structure with space group R3c. Addition of (Na1/2Bi1/2)TiO3 to Ba(Fe1/2Nb1/2)O3 resulted in the change of unit cell structure from cubic to tetragonal (P4/mmm) for x = 0.75 and the X-Ray diffraction peaks slightly shift towards higher Bragg's angle, suggesting slight decrease in unit cell volume. SEM studies were carried out in order to access the quality of the prepared ceramics which showed a change in grain shapes with the increase of (Na1/2Bi1/2)TiO3 content. FTIR spectra confirmed the formation of perovskite type solid solutions.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Huggins, F.; Bali, S; Huffman, G
2010-01-01
Iron in various iron-oxide aerogel and xerogel catalyst formulations ({ge}85% Fe{sub 2}O{sub 3}; {le}10% K, Co, Cu, or Pd) developed for possible use in Fischer-Tropsch synthesis (FTS) or the water-gas-shift (WGS) reaction has been examined by {sup 57}Fe Moessbauer spectroscopy. The seventeen samples consisted of both as-prepared and calcined aerogels and xerogels and their products after use as catalysts for FTS or the WGS reaction. Complementary XAFS spectra were obtained on the occurrence of the secondary elements in some of the same materials. A broad, slightly asymmetric, two-peak Moessbauer spectrum was obtained from the different as-prepared and calcined catalyst formulationsmore » in the majority of cases. Such spectra could only be satisfactorily fit with three quadrupole doublet components, but no systematic trends in the isomer shift and quadrupole splitting parameters and area ratios of the individual components could be discerned that reflected variations in the composition or preparation of the aerogel or xerogel materials. However, significant reductions were noted in the Moessbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, {chi}{sub eff}/g, determined at room temperature, for aerogels and xerogels compared to bulk iron oxides, reflecting the openness and lack of rigidity of the aerogel and xerogel structures. Moessbauer measurements for two aerogels over the range from 15 to 292 K confirmed the greatly diminished nature of this parameter at room temperature. Major increases in the effective thickness parameter were observed when the open structure of the aerogel or xerogel collapsed during calcination resulting in the formation of iron oxides (hematite, spinel ferrite). Similar structural changes were indicated by increases in this parameter after use of iron-oxide aerogels as catalysts for FTS or the WGS reaction, during which the iron-oxide aerogel was converted to a mixture of nonstoichiometric
Fe implantation effect in the 6H-SiC semiconductor investigated by Mössbauer spectrometry
NASA Astrophysics Data System (ADS)
Diallo, M. L.; Diallo, L.; Fnidiki, A.; Lechevallier, L.; Cuvilly, F.; Blum, I.; Viret, M.; Marteau, M.; Eyidi, D.; Juraszek, J.; Declémy, A.
2017-08-01
P-doped 6H-SiC substrates were implanted with 57Fe ions at 380 °C or 550 °C to produce a diluted magnetic semiconductor with an Fe homogeneous concentration of about 100 nm thickness. The magnetic properties were studied with 57Fe Conversion Electron Mössbauer Spectrometry at room temperature (RT). Results obtained by this technique on annealed samples prove that ferromagnetism in 57Fe-implanted SiC for Fe concentrations close to 2% and 4% is mostly due to Fe atoms diluted in the matrix. In contrast, for Fe concentrations close to 6%, it also comes from Fe in magnetic phase nano-clusters. This study allows quantifying the Fe amount in the interstitial and substitutional sites and the nanoparticles and shows that the majority of the diluted Fe atoms are substituted on Si sites inducing ferromagnetism up to RT.
Fe atom exchange between aqueous Fe2+ and magnetite.
Gorski, Christopher A; Handler, Robert M; Beard, Brian L; Pasakarnis, Timothy; Johnson, Clark M; Scherer, Michelle M
2012-11-20
The reaction between magnetite and aqueous Fe(2+) has been extensively studied due to its role in contaminant reduction, trace-metal sequestration, and microbial respiration. Previous work has demonstrated that the reaction of Fe(2+) with magnetite (Fe(3)O(4)) results in the structural incorporation of Fe(2+) and an increase in the bulk Fe(2+) content of magnetite. It is unclear, however, whether significant Fe atom exchange occurs between magnetite and aqueous Fe(2+), as has been observed for other Fe oxides. Here, we measured the extent of Fe atom exchange between aqueous Fe(2+) and magnetite by reacting isotopically "normal" magnetite with (57)Fe-enriched aqueous Fe(2+). The extent of Fe atom exchange between magnetite and aqueous Fe(2+) was significant (54-71%), and went well beyond the amount of Fe atoms found at the near surface. Mössbauer spectroscopy of magnetite reacted with (56)Fe(2+) indicate that no preferential exchange of octahedral or tetrahedral sites occurred. Exchange experiments conducted with Co-ferrite (Co(2+)Fe(2)(3+)O(4)) showed little impact of Co substitution on the rate or extent of atom exchange. Bulk electron conduction, as previously invoked to explain Fe atom exchange in goethite, is a possible mechanism, but if it is occurring, conduction does not appear to be the rate-limiting step. The lack of significant impact of Co substitution on the kinetics of Fe atom exchange, and the relatively high diffusion coefficients reported for magnetite suggest that for magnetite, unlike goethite, Fe atom diffusion is a plausible mechanism to explain the rapid rates of Fe atom exchange in magnetite.
Nanoscale Fe/Ag particles activated persulfate: optimization using response surface methodology.
Silveira, Jefferson E; Barreto-Rodrigues, Marcio; Cardoso, Tais O; Pliego, Gema; Munoz, Macarena; Zazo, Juan A; Casas, José A
2017-05-01
This work studied the bimetallic nanoparticles Fe-Ag (nZVI-Ag) activated persulfate (PS) in aqueous solution using response surface methodology. The Box-Behnken design (BBD) was employed to optimize three parameters (nZVI-Ag dose, reaction temperature, and PS concentration) using 4-chlorophenol (4-CP) as the target pollutant. The synthesis of nZVI-Ag particles was carried out through a reduction of FeCl 2 with NaBH 4 followed by reductive deposition of Ag. The catalyst was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and Brunauer-Emmett-Teller (BET) surface area. The BBD was considered a satisfactory model to optimize the process. Confirmatory tests were carried out using predicted and experimental values under the optimal conditions (50 mg L -1 nZVI-Ag, 21 mM PS at 57 °C) and the complete removal of 4-CP achieved experimentally was successfully predicted by the model, whereas the mineralization degree predicted (90%) was slightly overestimated against the measured data (83%).
DOE Office of Scientific and Technical Information (OSTI.GOV)
Taddei, K. M.; Allred, J. M.; Bugaris, D. E.
Since its discovery in 2014, the magnetic tetragonal C 4 phase has been identified in a growing number of hole-doped 122 Fe-based superconducting compounds. Exhibiting a unique double-Q magnetic structure and a strong competition with both superconducting and magnetic order parameters, the C 4 phase and the conditions of its formation are of significant interest to understanding the fundamental mechanisms in these materials. Particularly, separating the importance of direct changes to the relative size of hole and electron pockets at the Fermi surface (achieved via charge doping) from the role of structural changes due to differences of ionic radii ofmore » dopants is useful to determine the underlying parameter which causes the C 4 instability. Here, we report the discovery of the C 4 phase in a fourth member of the hole-doped 122 materials Ca 1-xNa xFe 2As 2(0.20 ≤ x ≤ 0.50) as determined from neutron and x-ray powder diffraction studies. The maximum of the C 4 dome is observed at x = 0.44 with a reentrant temperature T r = 52 K and an extent of Δx ~ 0.07 in composition. It is observed that for a range of compositions within the C 4 dome (0.40 ≤ x ≤ 0.42), there is a second reentrance (Tr 2 < Tr) where the antiferromagnetic C 2 phase is recovered—a feature previously only seen in Ba 1-xK xFe 2As 2. A phase diagram is presented for Ca 1-xNa xFe 2As 2 and compared to the other Na-doped 122's—A 1-xNa xFe 2As 2 with A = Ba, Sr, and Ca. Lastly, the structural parameters for these three systems are compared and the importance of the “chemical pressure” due to changing the A-site ion (A = Ba, Sr, Ca) is discussed.« less
Taddei, K. M.; Allred, J. M.; Bugaris, D. E.; ...
2017-02-15
Since its discovery in 2014, the magnetic tetragonal C 4 phase has been identified in a growing number of hole-doped 122 Fe-based superconducting compounds. Exhibiting a unique double-Q magnetic structure and a strong competition with both superconducting and magnetic order parameters, the C 4 phase and the conditions of its formation are of significant interest to understanding the fundamental mechanisms in these materials. Particularly, separating the importance of direct changes to the relative size of hole and electron pockets at the Fermi surface (achieved via charge doping) from the role of structural changes due to differences of ionic radii ofmore » dopants is useful to determine the underlying parameter which causes the C 4 instability. Here, we report the discovery of the C 4 phase in a fourth member of the hole-doped 122 materials Ca 1-xNa xFe 2As 2(0.20 ≤ x ≤ 0.50) as determined from neutron and x-ray powder diffraction studies. The maximum of the C 4 dome is observed at x = 0.44 with a reentrant temperature T r = 52 K and an extent of Δx ~ 0.07 in composition. It is observed that for a range of compositions within the C 4 dome (0.40 ≤ x ≤ 0.42), there is a second reentrance (Tr 2 < Tr) where the antiferromagnetic C 2 phase is recovered—a feature previously only seen in Ba 1-xK xFe 2As 2. A phase diagram is presented for Ca 1-xNa xFe 2As 2 and compared to the other Na-doped 122's—A 1-xNa xFe 2As 2 with A = Ba, Sr, and Ca. Lastly, the structural parameters for these three systems are compared and the importance of the “chemical pressure” due to changing the A-site ion (A = Ba, Sr, Ca) is discussed.« less
AC impedance spectroscopy of NASICON type Na3Fe2(PO4)3 ceramic
NASA Astrophysics Data System (ADS)
Mandal, Biswajit; Thakur, A. K.
2018-05-01
Super ionic conductors (e.g.; A3M2(XO4)3, A=Li, Na) have received attention in applied research due to their interesting electrochemical property and inherently high ionic conductivity [1]. However, structural and compatibility requirements for fast ion transport is stringent and it plays a crucial role. In A3M2(XO4)3, a suitable cage formation in the crystal framework due to corner sharing arrangement of XO4 tetrahedra and MO6 octahedra creates voids that acts as host/guest site for cation transport. In this work, we report Nasicon structure Na3Fe2(PO4)3 (NFP) prepared via sol-gel route mediated by citric acid. Structural analysis confirmed that NFP sample belongs to monoclinic crystal structure having Cc space group (S. G. No 9) with lattice parameters, a=15.106 Å, b=8.722 Å, c=8.775 Å and β=124.96°. Electrical properties of the prepared sample have been studied by AC impedance spectroscopy technique. The AC conductivity results indicated typical signature of ionically conducting system.
NASA Astrophysics Data System (ADS)
Shishkin, Maxim; Sato, Hirofumi
2017-06-01
Several Fe-based sulfates have been proposed recently as cathode materials characterized by a high average operating voltage (i.e. Li2Fe(SO4)2 and Na2Fe2(SO4)3) or low fabrication temperature (e.g. Na2Fe(SO4)2·2H2O)). In this work, we apply three methods to evaluate the redox potentials and magnetic properties of these materials: (1) local density functional theory (DFT) in Perdew-Burke-Ernzerhof parametrization; (2) rotationally invariant DFT + U and (3) DFT + U with magnetic exchange, suggested herein. The U parameters used for DFT + U calculations have been evaluated by using a linear response method (this applies to DFT + U as well as DFT + U calculations with a magnetic exchange term). Moreover, we have performed adjustments of U and, for the case of magnetic exchange, J parameters, to find better agreement with experimental measurements of redox and magnetic properties. We find that a self-consistent DFT + U/linear response approach yields quite overestimated redox potentials as compared to experiment. On the other hand, we also show that DFT + U calculations are not capable of providing a reasonably accurate description of both redox and magnetic properties for the case of Li2Fe(SO4)2, even when adjusted U parameters are employed. As a solution, we demonstrate that a DFT + U methodology augmented by a magnetic exchange term potentially provides more precise values for both the redox potentials and the magnetic moments of the Fe ions in the studied materials. Thus our work shows that for a more accurate description of redox and magnetic properties, further extensions of the DFT + U method, such as inclusion of the contribution of magnetic exchange, should be considered.
NASA Astrophysics Data System (ADS)
Hadjipanayis, George; Hu, Xiaocao; Capobianchi, Aldo; Gallagher, Ryan
2014-03-01
In this work, a new green chemical strategy for the synthesis of L10 FePt nanoparticles is reported. The starting material is a polycrystalline molecular complex (Fe(H2O)6PtCl6) , in which Fe and Pt atoms are arranged on alternating planes. The starting compound was milled with crystalline NaCl and then annealed under forming gas (5 % H2 and 95 % Ar) at 450 °C for 2h. Finally, the mixture was washed with water to remove the NaCl and L10 FePt nanoparticles were obtained. Transmission electron microscopy (TEM) images revealed that this method is able to produce L10 nanoparticles with different average size varying from 13.9 nm to 5.4 nm depending on the (Fe(H2O)6PtCl6) /NaCl ratio. With smaller (Fe(H2O)6PtCl6) /NaCl ratio(10mg/20g) and longer milling time(15h), FePt nanoparticles had a smaller size and narrower size distribution. The X-Ray Diffraction (XRD) pattern showed the presence of the characteristic peaks of the fct phase. The hysteresis loop, measured both at room temperature and 50 K, shows a high coercivity of 7.6 kOe and 11.2 kOe, respectively as expected for the high anisotropy L10 phase. Larger precursor/NaCl ratio and shorter ball milling time led to larger coercivity.
NASA Astrophysics Data System (ADS)
Devillers, M.; Ladrière, J.
1993-03-01
57Fe Mössbauer investigations are carried out on a wide series of heterometallic diaquadiformato Fe(II)/ M(II) complexes with M = Mn, Co, Ni, Cu, and Zn to provide a local picture of the coordination environment of the 57Fe 2+ ions as a function of (i) the nature of the host cation and (ii) the relative amounts of both metals in the matrix (between 50 and 0.25 at.% Fe). Information is obtained on the quantitative distribution of both metals between the two structurally nonequivalent lattice sites and on the local geometry around the dopant atom in each crystal site. In the mixed Fe-Cu complexes. Fe 2+ ions are preferentially incorporated in the tetrahydrated site; in Cu-rich Fe xCu 1- x(HCO 2) 2· 2H 2O, the 57Fe 2+ ions located in the hexaformato-coordinated site are surrounded by an axially compressed octahedron of formate ligands which contrasts with the elongated configuration observed in the pure iron compound and in the other mixed systems. Semiquantitative estimations of the tetragonal field splitting and of the extent of metal-ligand interactions are proposed from the temperature dependence of the quadrupole splitting values.
Coupled extremely light Ca and Fe isotopes in peridotites
NASA Astrophysics Data System (ADS)
Zhao, Xinmiao; Zhang, Zhaofeng; Huang, Shichun; Liu, Yufei; Li, Xin; Zhang, Hongfu
2017-07-01
Large metal stable isotopic variations have been observed in both extraterrestrial and terrestrial samples. For example, Ca exhibits large mass-dependent isotopic variation in terrestrial igneous rocks and mantle minerals (on the order of ∼2‰ variation in 44Ca/40Ca). A thorough assessment and understanding of such isotopic variations in peridotites provides important constraints on the evolution and compositon of the Earth's mantle. In order to better understand the Ca and Fe isotopic variations in terrestrial silicate rocks, we report Ca isotopic compositions in a set of peridotitic xenoliths from North China Craton (NCC), which have been studied for Fe isotopes. These NCC peridotites have large Ca and Fe isotopic variations, with δ44/40Ca ranging from -0.08 to 0.92 (delta value relative to SRM915a) and δ57/54Fe (delta value relative to IRMM-014) ranging from -0.61 to 0.16, and these isotopic variations are correlated with large Mg# (100 × Mg/(Mg + Fe) molar ratio) variation, ranging from 80 to 90. Importantly, NCC Fe-rich peridotites have the lowest 44Ca/40Ca and 57Fe/54Fe ratios in all terrestrial silicate rocks. In contrast, although ureilites, mantle rocks from a now broken differentiated asteroid(s), have large Mg# variation, from 70 to 92, they have very limited δ57Fe/54Fe variation (0.03-0.21, delta value relative to IRMM-014). Our model calculations show that the coupled extremely light Ca-Fe isotopic signatures in NCC Fe-rich peridotites most likely reflect kinetic isotopic fractionation during melt-peridotite reaction on a timescale of several to 104 years. In addition, our new data and compiled literature data show a possible compositional effect on the inter-mineral Ca isotopic fractionation between co-existing clinopyroxene and orthopyroxene pairs.
NASA Astrophysics Data System (ADS)
Chen, Xiaobin; Du, Ke; Lai, Yanqing; Shang, Guozhi; Li, Huangxu; Xiao, Zhiwei; Chen, Yuxiang; Li, Junming; Zhang, Zhian
2017-07-01
Na2FeP2O7, which is considered as a promising cathode for sodium ion batteries (SIBs) on account of its economical efficiency and outstanding thermal stability, has been widely studied for the purpose of enhancing its electronic conductivity and interface ion transportation. In this paper, a double-carbon synergistically modified strategy was firstly introduced to facilitate the electrochemical performance of Na2FeP2O7. Na2FeP2O7 particles are enwrapped in situ by a carbon layer and further anchored in reduced graphene oxide (RGO) framework through a facile urea-nitrate combustion method. Consequently, the excellent rate performance and durable cycle stability of this compound are identified, which exhibits a reversible sodium storage capacity of 65 mAh g-1 at a current density of 10 C and no obvious decay in capacity after circling for 300 cycles at 1 C. What's more, no drastic degradation in capacity is observed when the cycling current density is brought back to high rates after cycling for more than 360 cycles at various rates.
Shock compression of Fe-FeS mixture up to 204 GPa
NASA Astrophysics Data System (ADS)
Huang, Haijun; Wu, Shijie; Hu, Xiaojun; Wang, Qingsong; Wang, Xiang; Fei, Yingwei
2013-02-01
Measuring FeO variation using astronomical spectroscopic observations
NASA Astrophysics Data System (ADS)
Unterguggenberger, Stefanie; Noll, Stefan; Feng, Wuhu; Plane, John M. C.; Kausch, Wolfgang; Kimeswenger, Stefan; Jones, Amy; Moehler, Sabine
2017-03-01
Airglow emission lines of OH, O2, O and Na are commonly used to probe the MLT (mesosphere-lower thermosphere) region of the atmosphere. Furthermore, molecules like electronically excited NO, NiO and FeO emit a (pseudo-) continuum. These continua are harder to investigate than atomic emission lines. So far, limb-sounding from space and a small number of ground-based low-to-medium resolution spectra have been used to measure FeO emission in the MLT. In this study the medium-to-high resolution echelle spectrograph X-shooter at the Very Large Telescope (VLT) in the Chilean Atacama Desert (24°37' S, 70°24' W; 2635 m) is used to study the FeO pseudo-continuum in the range from 0.5 to 0.72 µm based on 3662 spectra. Variations of the FeO spectrum itself, as well as the diurnal and seasonal behaviour of the FeO and Na emission intensities, are reported. These airglow emissions are linked by their common origin, meteoric ablation, and they share O3 as a common reactant. Major differences are found in the main emission peak of the FeO airglow spectrum between 0.58 and 0.61 µm, compared with a theoretical spectrum. The FeO and Na airglow intensities exhibit a similar nocturnal variation and a semi-annual seasonal variation with equinoctial maxima. This is satisfactorily reproduced by a whole atmosphere chemistry climate model, if the quantum yields for the reactions of Fe and Na with O3 are 13 ± 3 and 11 ± 2 % respectively. However, a comparison between the modelled O3 in the upper mesosphere and measurements of O3 made with the SABER satellite instrument suggests that these quantum yields may be a factor of ˜ 2 smaller.
Taddei, K. M.; Allred, J. M.; Bugaris, D. E.; ...
2016-04-20
The recently discovered C 4 tetragonal magnetic phase in hole-doped members of the iron-based superconductors provides new insights into the origin of unconventional superconductivity. Previously observed in Ba 1-xNa xFe 2As 2 (with A = K, Na), the C 4 magnetic phase exists within the well studied C 2 spin-density wave (SDW) dome, arising just before the complete suppression of antiferromagnetic (AFM) order but after the onset of superconductivity. Here in this paper, we present detailed x-ray and neutron diffraction studies of Sr 1-xNa xFe 2As 2 (0.10 ≤ x ≤ 0.60) to determine their structural evolution and the extentmore » of the C 4 phase. Spanning Δx ~ 0.14 in composition, the C 4 phase is found to extend over a larger range of compositions, and to exhibit a significantly higher transition temperature, T r ~ 65K, than in either of the other systems in which it has been observed. The onset of this phase is seen near a composition (x~0:30) where the bonding angles of the Fe 2As 2 layers approach the perfect 109.46° tetrahedral angle. We discuss the possible role of this return to a higher symmetry environment for the magnetic iron site in triggering the magnetic reorientation and the coupled re-entrance to the tetragonal structure. Finally, we present a new phase diagram, complete with the C 4 phase, and use its observation in a third hole-doped 122 system to suggest the universality of this phase.« less
Cluster expansion modeling and Monte Carlo simulation of alnico 5-7 permanent magnets
NASA Astrophysics Data System (ADS)
Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; Ho, Kai-Ming
2015-03-01
The concerns about the supply and resource of rare earth (RE) metals have generated a lot of interests in searching for high performance RE-free permanent magnets. Alnico alloys are traditional non-RE permanent magnets and have received much attention recently due their good performance at high temperature. In this paper, we develop an accurate and efficient cluster expansion energy model for alnico 5-7. Monte Carlo simulations using the cluster expansion method are performed to investigate the structure of alnico 5-7 at atomistic and nano scales. The alnico 5-7 master alloy is found to decompose into FeCo-rich and NiAl-rich phases at low temperature. The boundary between these two phases is quite sharp (˜2 nm) for a wide range of temperature. The compositions of the main constituents in these two phases become higher when the temperature gets lower. Both FeCo-rich and NiAl-rich phases are in B2 ordering with Fe and Al on α-site and Ni and Co on β-site. The degree of order of the NiAl-rich phase is much higher than that of the FeCo-rich phase. A small magnetic moment is also observed in NiAl-rich phase but the moment reduces as the temperature is lowered, implying that the magnetic properties of alnico 5-7 could be improved by lowering annealing temperature to diminish the magnetism in NiAl-rich phase. The results from our Monte Carlo simulations are consistent with available experimental results.
Physical conditions in CaFe interstellar clouds
NASA Astrophysics Data System (ADS)
Gnaciński, P.; Krogulec, M.
2008-01-01
Interstellar clouds that exhibit strong Ca I and Fe I lines are called CaFe clouds. Ionisation equilibrium equations were used to model the column densities of Ca II, Ca I, K I, Na I, Fe I and Ti II in CaFe clouds. We find that the chemical composition of CaFe clouds is solar and that there is no depletion into dust grains. CaFe clouds have high electron densities, n_e≈1 cm-3, that lead to high column densities of neutral Ca and Fe.
Guan, Wenhao; Pan, Bin; Zhou, Peng; Mi, Jinxiao; Zhang, Dan; Xu, Jiacheng; Jiang, Yinzhu
2017-07-12
Rechargeable sodium-ion batteries (SIBs) are receiving intense interest because the resource abundance of sodium and its lithium-like chemistry make them low cost alternatives to the prevailing lithium-ion batteries in large-scale energy storage devices. Two typical classes of materials including transition metal oxides and polyanion compounds have been under intensive investigation as cathodes for SIBs; however, they are still limited to poor stability or low capacity of the state-of-art. Herein, we report a low cost carbon-coated Na 2 FeSiO 4 with simultaneous high capacity and good stability, owing to the highly pure Na-rich triclinic phase and the carbon-incorporated three-dimensional network morphology. The present carbon-coated Na 2 FeSiO 4 demonstrates the highest reversible capacity of 181.0 mAh g -1 to date with multielectron redox reaction that occurred among various polyanion-based SIBs cathodes, which achieves a close-to-100% initial Coulombic efficiency and a stable cycling with 88% capacity retention up to 100 cycles. In addition, such an electrode shows excellent stability either charged at a high voltage of 4.5 V or heated up to 800 °C. The present work might open up the possibility for developing high capacity, good safety and low cost polyanion-based cathodes for rechargeable SIBs.
Hot-corrosion of AISI 1020 steel in a molten NaCl/Na2SO4 eutectic at 700°C
NASA Astrophysics Data System (ADS)
Badaruddin, Mohammad; Risano, Ahmad Yudi Eka; Wardono, Herry; Asmi, Dwi
2017-01-01
Hot-corrosion behavior and morphological development of AISI 1020 steel with 2 mg cm-2 mixtures of various NaCl/Na2SO4 ratios at 700°C were investigated by means of weight gain measurements, Optical Microscope (OM), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray spectroscopy (EDS). The weight gain kinetics of the steel with mixtures of salt deposits display a rapid growth rates, compared with the weight gain kinetics of AISI 1020 steel without salt deposit in dry air oxidation, and follow a steady-state parabolic law for 49 h. Chloridation and sulfidation produced by a molten NaCl/Na2SO4 on the steel induced hot-corrosion mechanism attack, and are responsible for the formation of thicker scale. The most severe corrosion takes place with the 70 wt.% NaCl mixtures in Na2SO4. The typical Fe2O3 whisker growth in outer part scale was attributed to the FeCl3 volatilization. The formation of FeS in the innermost scale is more pronounced as the content of Na2SO4 in the mixture is increased.
Effect of Fe-site Substitution on Pressure-induced Spin Transition in SrFeO2
NASA Astrophysics Data System (ADS)
Kawakami, Takateru; Yamamoto, Takafumi; Yata, Kanami; Ishii, Minoru; Watanabe, Yoshitaka; Mizumaki, Masaichiro; Kawamura, Naomi; Ishimatsu, Naoki; Takahashi, Hiroki; Okada, Taku; Yagi, Takehiko; Kageyama, Hiroshi
2017-12-01
The effect of Fe-site substitution on structural and physical properties of the infinite layer iron oxide SrFeO2 was investigated under high pressure by 57Fe Mössbauer spectroscopy, X-ray diffraction, X-ray absorption spectroscopy, X-ray magnetic circular dichroism, and electrical resistance measurements using a diamond-anvil cell. Both 20% Mn- and Co-substituted samples exhibit spin transitions from a high-spin (S = 2) to an intermediate-spin (S = 1) state at Pc ˜ 32 GPa, which is much the same pressure 33 GPa observed in SrFeO2. This result indicates that the spin transition pressure is insensitive to the d-orbital electron counts [Mn2+ (d5), Fe2+ (d6), Co2+ (d7)], but is governed by the local structure around the Fe site.
NASA Astrophysics Data System (ADS)
Costa, B. F. O.; Lehmann, R.; Wengerowsky, D.; Blumers, M.; Sansano, A.; Rull, F.; Schmidt, H.-J.; Dencker, F.; Niebur, A.; Klingelhöfer, G.; Sindelar, R.; Renz, F.
2016-12-01
In a rediscovered Klimt-artwork " Trompetender Putto" material tests have been conducted. We report studies on different points of the painting. The spots are of different colors, mainly taken in spots of the painting not restaurated. MIMOS II Fe-57 Mössbauer spectroscopy revealed mainly haematite and nano particle oxides in red and red/brown colors. Brown colors also contain crystallized goethite. In brown/ochre colors the same pigments as in brown colors are observed, but there is less quantity of goethite and more quantity of haematite. The green colors show Fe-rich clays, like celadonite or glauconite and or lepidocrocite as main component. Raman spectroscopy revealed cinnabar in red colors of the Scarf; and massicot in brown/ochre points, i.e. in the Left Wing of the "Putto". With scanning electron microscopy, various layers of the original and of overpainting could be recognized. The investigations of sample 1 show three layers of colored materials, which were identified as zinc-white, cinnabar and galena as well as carbon compounds. In sample 2 four layers could be detected. These are identified (bottom to top) as gypsum and lead-white (layer 1), zinc-white (layer 2), lead-white and cinnabar (layer 3) and titanium-white (layer 4). The elementary composition was examined with the portable X-ray-fluorescence analysis for qualitative manner at different points.
Fine structure of Fe-Co-Ga and Fe-Cr-Ga alloys with low Ga content
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kleinerman, Nadezhda M., E-mail: kleinerman@imp.uran.ru; Serikov, Vadim V., E-mail: kleinerman@imp.uran.ru; Vershinin, Aleksandr V., E-mail: kleinerman@imp.uran.ru
2014-10-27
Investigation of Ga influence on the structure of Fe-Cr and Fe-Co alloys was performed with the use of {sup 57}Fe Mössbauer spectroscopy and X-ray diffraction methods. In the alloys of the Fe-Cr system, doping with Ga handicaps the decomposition of solid solutions, observed in the binary alloys, and increases its stability. In the alloys with Co, Ga also favors the uniformity of solid solutions. The analysis of Mössbauer experiments gives some grounds to conclude that if, owing to liquation, clusterization, or initial stages of phase separation, there exist regions enriched in iron, some amount of Ga atoms prefer to entermore » the nearest surroundings of iron atoms, thus forming binary Fe-Ga regions (or phases)« less
Liu, Hongyan; Wang, Hongyu
2016-07-01
To enrich the Fe (III)-reducing bacteria, sludge from marine sediment was inoculated into the medium using Fe (OH)3 as the sole electron acceptor. Efficiency of Fe (III) reduction and composition of Fe (III)-reducing enrichment culture were analyzed. The results indicated that the Fe (III)-reducing enrichment culture with the dominant bacteria relating to Clostridium and Enterobacter sp. had high Fe (III) reduction of (2.73 ± 0.13) mmol/L-Fe (II). A new Fe (III)-reducing bacterium was isolated from the Fe (III)-reducing enrichment culture and identified as Enterobacter sp. L6 by 16S rRNA gene sequence analysis. The Fe (III)-reducing ability of strain L6 under different culture conditions was investigated. The results indicated that strain L6 had high Fe (III)-reducing activity using glucose and pyruvate as carbon sources. Strain L6 could reduce Fe (III) at the range of NaCl concentrations tested and had the highest Fe (III) reduction of (4.63 ± 0.27) mmol/L Fe (II) at the NaCl concentration of 4 g/L. This strain L6 could reduce Fe (III) with unique properties in adaptability to salt variation, which indicated that it can be used as a model organism to study Fe (III)-reducing activity isolated from marine environment. Copyright © 2015 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.
The catalytic center of ferritin regulates iron storage via Fe(II)-Fe(III) displacement.
Honarmand Ebrahimi, Kourosh; Bill, Eckhard; Hagedoorn, Peter-Leon; Hagen, Wilfred R
2012-11-01
A conserved iron-binding site, the ferroxidase center, regulates the vital iron storage role of the ubiquitous protein ferritin in iron metabolism. It is commonly thought that two Fe(II) simultaneously bind the ferroxidase center and that the oxidized Fe(III)-O(H)-Fe(III) product spontaneously enters the cavity of ferritin as a unit. In contrast, in some bacterioferritins and in archaeal ferritins a persistent di-iron prosthetic group in this center is believed to mediate catalysis of core formation. Using a combination of binding experiments and isotopically labeled (57)Fe(II), we studied two systems in comparison: the ferritin from the hyperthermophilic archaeal anaerobe Pyrococcus furiosus (PfFtn) and the eukaryotic human H ferritin (HuHF). The results do not support either of the two paradigmatic models; instead they suggest a unifying mechanism in which the Fe(III)-O-Fe(III) unit resides in the ferroxidase center until it is sequentially displaced by Fe(II).
Chen, Mingzhe; Chen, Lingna; Hu, Zhe; Liu, Qiannan; Zhang, Binwei; Hu, Yuxiang; Gu, Qinfen; Wang, Jian-Li; Wang, Lian-Zhou; Guo, Xiaodong; Chou, Shu-Lei; Dou, Shi-Xue
2017-06-01
Rechargeable sodium-ion batteries are proposed as the most appropriate alternative to lithium batteries due to the fast consumption of the limited lithium resources. Due to their improved safety, polyanion framework compounds have recently gained attention as potential candidates. With the earth-abundant element Fe being the redox center, the uniform carbon-coated Na 3.32 Fe 2.34 (P 2 O 7 ) 2 /C composite represents a promising alternative for sodium-ion batteries. The electrochemical results show that the as-prepared Na 3.32 Fe 2.34 (P 2 O 7 ) 2 /C composite can deliver capacity of ≈100 mA h g -1 at 0.1 C (1 C = 120 mA g -1 ), with capacity retention of 92.3% at 0.5 C after 300 cycles. After adding fluoroethylene carbonate additive to the electrolyte, 89.6% of the initial capacity is maintained, even after 1100 cycles at 5 C. The electrochemical mechanism is systematically investigated via both in situ synchrotron X-ray diffraction and density functional theory calculations. The results show that the sodiation and desodiation are single-phase-transition processes with two 1D sodium paths, which facilitates fast ionic diffusion. A small volume change, nearly 100% first-cycle Coulombic efficiency, and a pseudocapacitance contribution are also demonstrated. This research indicates that this new compound could be a potential competitor for other iron-based cathode electrodes for application in large-scale Na rechargeable batteries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Gas phase synthesis of core-shell Fe@FeO x magnetic nanoparticles into fluids
NASA Astrophysics Data System (ADS)
Aktas, Sitki; Thornton, Stuart C.; Binns, Chris; Denby, Phil
2016-12-01
Sorbitol, short chain molecules, have been used to stabilise of Fe@FeO x nanoparticles produced in the gas phase under the ultra-high vacuum (UHV) conditions. The sorbitol coated Fe@FeO x nanoparticles produced by our method have a narrow size distribution with a hydrodynamic diameter of 35 nm after NaOH is added to the solution. Magnetisation measurement shows that the magnetic nanoparticles are superparamagnetic at 100 K and demonstrate hysteresis at 5 K with an anisotropy constant of 5.31 × 104 J/m3 (similar to bulk iron). Also, it is shown that sorbitol is only suitable for stabilising the Fe@FeO x suspensions, and it does not prevent further oxidation of the metallic Fe core. According to MRI measurement, the nanoparticles have a high transverse relaxation rate of 425 mM-1 s-1.
Xie, Yingying; Wang, Hong; Xu, Guiliang; ...
2016-09-02
In operando XRD and TXM-XANES approaches demonstrate that structure evolution in NaNi 1/3Fe 1/3Mn 1/3O 2 during cycling follows a continuous change, and the formation of a nonequilibrium solid solution phase in the existence of two phases. Here, an O3' and P3' monoclinic phase occur, and redox couples of Ni 3+/Ni 4+ and Fe 3+/Fe 4+ are mainly responsible in the charge voltage range from 4.0 to 4.3 V.
Structural, dielectric and magnetic properties of ZnFe2O4-Na0.5Bi0.5TiO3 multiferroic composites
NASA Astrophysics Data System (ADS)
Bhasin, Tanvi; Agarwal, Ashish; Sanghi, Sujata; Yadav, Manisha; Tuteja, Muskaan; Singh, Jogender; Rani, Sonia
2018-04-01
Multiferroic xNa0.5Bi0.5TiO3-(1-x)ZnFe2O4 (x=0.10, 0.20) composites were prepared by conventional solid state reaction method. Rietveld analysis of XRD data shows that samples exhibit both cubic (Fd-3m) and rhombohedral (R3c) crystal structure. Structural parameters and unit cell volume of samples vary with composition. The dielectric constant and dielectric loss (tanδ) display dispersion at low frequency due to space charge polarization and inhomogeneity in the composites. Magnetic analysis depicts the antiferromagnetic behavior of composites and magnetization is enhanced with the introduction of ferrite (ZnFe2O4) phase.
Contribution of Mössbauer spectroscopy to the investigation of Fe/S biogenesis.
Garcia-Serres, Ricardo; Clémancey, Martin; Latour, Jean-Marc; Blondin, Geneviève
2018-01-19
Fe/S cluster biogenesis involves a complex machinery comprising several mitochondrial and cytosolic proteins. Fe/S cluster biosynthesis is closely intertwined with iron trafficking in the cell. Defects in Fe/S cluster elaboration result in severe diseases such as Friedreich ataxia. Deciphering this machinery is a challenge for the scientific community. Because iron is a key player, 57 Fe-Mössbauer spectroscopy is especially appropriate for the characterization of Fe species and monitoring the iron distribution. This minireview intends to illustrate how Mössbauer spectroscopy contributes to unravel steps in Fe/S cluster biogenesis. Studies were performed on isolated proteins that may be present in multiple protein complexes. Since a few decades, Mössbauer spectroscopy was also performed on whole cells or on isolated compartments such as mitochondria and vacuoles, affording an overview of the iron trafficking. This minireview aims at presenting selected applications of 57 Fe-Mössbauer spectroscopy to Fe/S cluster biogenesis.
NASA Astrophysics Data System (ADS)
Oshtrakh, M. I.; Alenkina, I. V.; Klencsár, Z.; Kuzmann, E.; Semionkin, V. A.
2017-02-01
Mössbauer spectra of human liver ferritin and its pharmaceutical analogues Ferrum Lek and Maltofer® measured at various temperatures within the range of 295-83 K were fitted using five quadrupole doublets related to different 57Fe microenvironments in various layers/regions of the ferrihydrite and akaganéite iron cores. The observed anomalous temperature dependences of some Mössbauer parameters were considered as a result of low temperature structural rearrangements in different layers/regions in the iron core.
Y3Fe5O12/Na,Bi,Sr-doped PZT particulate magnetoelectric composites
NASA Astrophysics Data System (ADS)
Lisnevskaya, I. V.; Bobrova, I. A.; Lupeiko, T. G.; Agamirzoeva, M. R.; Myagkaya, K. V.
2016-05-01
Magnetoelectric (ME) composites of Na, Bi, Sr substituted lead zirconate titanate (PZT) and yttrium iron garnet having representative formula (100-x) wt% Na,Bi,Sr-doped PZT (PZTNB-1)+x wt% Y3Fe5O12 (YIG) with x=10-90 were manufactured using powdered components obtained through sol-gel processes. It is shown that the decrease in sintering temperature provided by the use of finely dispersed PZTNB-1 and YIG powders allows to significantly reduce content of fluorite-like foreign phase based on zirconium oxide, which forms due to the interfacial interaction during heat treatment and becomes stabilized by yttrium oxide. Connectivity has considerable effect on the value of ME coefficient of composite ceramics. With the same x value, ΔE/ΔH characteristic decreases when changing from 0-3-type structured composites (PZT grains embedded in ferrite matrix) to 3-3-(interpenetrating network of two phases) and especially 3-0-type samples (YIG grains embedded in PZT matrix); in the last case this can be attributed to the substrate clamping effect when ferrite grains are clamped with piezoelectric matrix. ΔE/ΔH value of 0-3 composites with x=40-60 wt% was found to be ∼1.6 mV/(cm Oe).
NASA Astrophysics Data System (ADS)
Swanner, Elizabeth D.; Wu, Wenfang; Schoenberg, Ronny; Byrne, James; Michel, F. Marc; Pan, Yongxin; Kappler, Andreas
2015-09-01
Much interest exists in finding mineralogical, organic, morphological, or isotopic biosignatures for Fe(II)-oxidizing bacteria (FeOB) that are retained in Fe-rich sediments, which could indicate the activity of these organisms in Fe-rich seawater, more common in the Precambrian Era. To date, the effort to establish a clear Fe isotopic signature in Fe minerals produced by Fe(II)-oxidizing metabolisms has been thwarted by the large kinetic fractionation incurred as freshly oxidized aqueous Fe(III) rapidly precipitates as Fe(III) (oxyhydr)oxide minerals at near neutral pH. The Fe(III) (oxyhydr)oxide minerals resulting from abiotic Fe(II) oxidation are isotopically heavy compared to the Fe(II) precursor and are not clearly distinguishable from minerals formed by FeOB isotopically. However, in marine hydrothermal systems and Fe(II)-rich springs the minerals formed are often isotopically lighter than expected considering the fraction of Fe(II) that has been oxidized and experimentally-determined fractionation factors. We measured the Fe isotopic composition of aqueous Fe (Feaq) and the final Fe mineral (Feppt) produced in batch experiment using the marine Fe(II)-oxidizing phototroph Rhodovulum iodosum. The δ56Feaq data are best described by a kinetic fractionation model, while the evolution of δ56Feppt appears to be controlled by a separate fractionation process. We propose that soluble Fe(III), and Fe(II) and Fe(III) extracted from the Feppt may act as intermediates between Fe(II) oxidation and Fe(III) precipitation. Based on 57Fe Mössbauer spectroscopy, extended X-ray absorption fine structure (EXAFS) spectroscopy, and X-ray total scattering, we suggests these Fe phases, collectively Fe(II/III)interm, may consist of organic-ligand bound, sorbed, and/or colloidal Fe(II) and Fe(III) mineral phases that are isotopically lighter than the final Fe(III) mineral product. Similar intermediate phases, formed in response to organic carbon produced by FeOB and inorganic
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rettenwander, D., E-mail: daniel.rettenwander@sbg.ac.at; Geiger, C.A.; Tribus, M.
2015-10-15
A series of Fe{sup 3+}-bearing Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZO) garnets was synthesized using solid-state synthesis methods. The synthetic products were characterized compositionally using electron microprobe analysis and inductively coupled plasma optical emission spectroscopy (ICP-OES) and structurally using X-ray powder diffraction and {sup 57}Fe Mössbauer spectroscopy. A maximum of about 0.25 Fe{sup 3+} pfu could be incorporated in Li{sub 7−3x}Fe{sub x}La{sub 3}Zr{sub 2}O{sub 12} garnet solid solutions. At Fe{sup 3+} concentrations lower than about 0.16 pfu, both tetragonal and cubic garnets were obtained in the synthesis experiments. X-ray powder diffraction analysis showed only a garnet phase for syntheses withmore » starting materials having intended Fe{sup 3+} contents lower than 0.52 Fe{sup 3+} pfu. Back-scattered electron images made with an electron microprobe also showed no phase other than garnet for these compositions. The lattice parameter, a{sub 0}, for all solid-solution garnets is similar with a value of a{sub 0}≈12.98 Å regardless of the amount of Fe{sup 3+}. {sup 57}Fe Mössbauer spectroscopic measurements indicate the presence of poorly- or nano-crystalline FeLaO{sub 3} in syntheses with Fe{sup 3+} contents greater than 0.16 Fe{sup 3+} pfu. The composition of different phase pure Li{sub 7−3x}Fe{sub x}La{sub 3}Zr{sub 2}O{sub 12} garnets, as determined by electron microprobe (Fe, La, Zr) and ICP-OES (Li) measurements, give Li{sub 6.89}Fe{sub 0.03}La{sub 3.05}Zr{sub 2.01}O{sub 12}, Li{sub 6.66}Fe{sub 0.06}La{sub 3.06}Zr{sub 2.01}O{sub 12}, Li{sub 6.54}Fe{sub 0.12}La{sub 3.01}Zr{sub 1.98}O{sub 12}, and Li{sub 6.19}Fe{sub 0.19}La{sub 3.02}Zr{sub 2.04}O{sub 12}. The {sup 57}Fe Mössbauer spectrum of cubic Li{sub 6.54}Fe{sub 0.12}La{sub 3.01}Zr{sub 1.98}O{sub 12} garnet indicates that most Fe{sup 3+} occurs at the special crystallographic 24d position, which is the standard tetrahedrally coordinated site in garnet. Fe{sup 3+} in
Fe Isotope Composition of Neoproterozoic Post-Glacial "Cap Dolostones"
NASA Astrophysics Data System (ADS)
Halverson, G. P.
2005-12-01
The largest variations in the Fe isotope composition in the geological record are found in sedimentary rocks, presumably as the result of redox transformations of iron during mineral precipitation, microbial processing, and diagenesis (Johnson et al., Cont. Min. Petrol., 2003). Systematic trends in the variability of the Fe isotope composition of sulfide minerals formed in ancient marine black shales broadly mirror patterns in sulfur isotope data (Δ33S, Δ34S), which are consistent with geological and other geochemical evidence for the progressive oxidation of the earth's surface during the Precambrian (Rouxel et al., Science, 2005). Therefore, the record of the Fe isotope composition of minerals formed in the marine environment appears to be a promising proxy for the redox evolution of the ocean. We have developed a method to extract the marine Fe isotope composition from carbonates in an attempt to establish higher resolution records of changes in marine redox changes than permitted by black shale geochemistry. We have applied this method to the study of ca. 635 Ma iron-rich dolostones, which are found in Neoproterozoic successions worldwide and immediately post-date a purported snowball (Marinoan) glaciation during which time the deep ocean is thought to have become anoxic (Hoffman et al., Science, 1998), allowing its Fe isotopic composition to evolve towards the composition of relatively light (δ57Fe vs. IRMM-14 ~ -0.6‰) hydrothermal iron (Beard et al., Geology, 2003). Fe isotope compositions were measured relative to IRMM-14 in medium-resolution mode on a Neptune MC-ICP-MS with a long-term external (2σ) reproducibility of < 0.04‰/amu. Preliminary data on dolomite samples from Svalbard, northern Namibia and northwest Canada show a range in δ57Fe values from -0.65 to 0.04‰, similar to the range found in siderite and Fe-rich dolomite in ancient BIFs (Johsnon et al., 2003) and to values for the Namibian cap dolostone reported by Leighton et al
DOE Office of Scientific and Technical Information (OSTI.GOV)
Starcher, Autumn N.; Li, Wei; Kukkadapu, Ravi K.
Fe(II)-Al(III)-LDH (layered double hydroxide) phases have been shown to form from reactions of aqueous Fe(II) with Fe-free Al-bearing minerals (phyllosilicate/clays and Al-oxides). To our knowledge, the effect of small amounts of structural Fe(III) impurities in “neutral” clays on such reactions, however, were not studied. In this study to understand the role of structural Fe(III) impurity in clays, laboratory batch studies with pyrophyllite (10 g/L), an Al-bearing phyllosilicate, containing small amounts of structural Fe(III) impurities and 0.8 mM and 3 mM Fe(II) (both natural and enriched in 57Fe) were carried out at pH 7.5 under anaerobic conditions (4% H2 – 96%more » N2 atmosphere). Samples were taken up to 4 weeks for analysis by Fe-X-ray absorption spectroscopy and 57Fe Mössbauer spectroscopy. In addition to the precipitation of Fe(II)-Al(III)-LDH phases as observed in earlier studies with pure minerals (no Fe(III) impurities in the minerals), the analyses indicated formation of small amounts of Fe(III) containing solid(s), most probably hybrid a Fe(II)-Al(III)/Fe(III)-LDH phase. The mechanism of Fe(II) oxidation was not apparent but most likely was due to interfacial electron transfer from the sorbed Fe(II) to the structural Fe(III) and/or surface-sorption-induced electron-transfer from the sorbed Fe(II) to the clay lattice. Increase in the Fe(II)/Al ratio of the LDH with reaction time further indicated the complex nature of the samples. This research provides evidence for the formation of both Fe(II)-Al(III)-LDH and Fe(II)-Fe(III)/Al(III)-LDH-like phases during reactions of Fe(II) in systems that mimic the natural environments. Better understanding Fe phase formation in complex laboratory studies will improve models of natural redox systems.« less
Zhang, Liping; Ling, Bo; Wang, Lun; Chen, Hongqi
2017-09-01
An upconversion luminescence method was developed for the determination of glutathione (GSH), L-cysteine (Cys) or L-ascorbic acid (AA) based on redox reaction. We synthesized poly(acrylic acid) (PAA)-modified Mn 2+ -doped NaYF 4 :Yb,Tm upconversion nanoparticles (UCNPs), and the luminescence of these UCNPs was effectively quenched due to their carboxyl groups coordinating with Fe 3+ to form a UCNPs/Fe 3+ system. GSH, Cys or AA reduced Fe 3+ to Fe 2+ , which induced the luminescence recovery of the UCNPs. Under the optimized conditions, wide linear concentration ranges from 0.25-300μM for GSH, 0.5-875μM for Cys and 0.5-350μM for AA were found, and the detection limits (3S/K) were 0.2μM, 0.5μM and 0.2μM, respectively. Thus, the UCNPs/Fe 3+ system was successfully applied for sensing GSH, Cys or AA. Copyright © 2017 Elsevier B.V. All rights reserved.
Structure and magnetic properties of ScFe 10Si 2
NASA Astrophysics Data System (ADS)
Bodak, O. I.; Stȩpień-Damm, J.; Drulis, H.; Kotur, B.; Suski, W.; Vagizov, F. G.; Wochowski, K.; Mydlarz, T.
1995-02-01
ScFe 10Si 2 crystallizes in the ThMn 12-type tetragonal structure with the space group I4/mmm and the lattice parameters: a = 0.8280 (1) nm, c = 0.4706 (1) nm and c/ a = 0.57. In the refinement performed for 317 independent reflections and 10 variable parameters, a final discrepancy factor R = 4.69% has been reached. The compound is ferromagnetic below 506 K ( 57Fe ME) and 560 K (magnetic). The distribution of the Fe atoms in the 8( i), 8( j) and 8( f) positions corresponds to 40, 31 and 29%, respectively. The Debye temperature determined from the temperature dependence of the isomer shift is 340 K.
Mass-dependent and -independent fractionation of Fe isotopes in magnetotactic bacteria
NASA Astrophysics Data System (ADS)
Amor, M.; Busigny, V.; Louvat, P.; Gelabert, A.; Cartigny, P.; Durand-Dubief, M.; Ona-Nguema, G.; Alphandéry, E.; Chebbi, I.; Guyot, F. J.
2016-12-01
Magnetotactic bacteria (MTB) perform biomineralization of intracellular magnetite (Fe3O4) nanoparticles. Although they may be among the oldest microorganisms capable of biomineralization on Earth, identification of their activity in the geological record remains poorly resolved because of the lack of reliable signatures. Here, we determined Fe isotope fractionation by the magnetotactic bacterium Magnetospirillum magneticum strain AMB-1 to better understand Fe cycling in MTB and provide new signatures of the contribution of MTB to iron geochemistry. AMB-1 strain was cultivated with either Fe(III)-quinate or Fe(II)-ascorbate as Fe sources. Iron isotope composition of Fe sources, bacterial growth media after AMB-1 cultures, bacterial lysates (corresponding to AMB-1 cells devoid of magnetite) and magnetite samples were analyzed by MC-ICP-MS after column chromatography. In the two culture conditions, growth media after AMB-1 cultures were enriched in light Fe isotopes relative to Fe sources. Two distinct bacterial Fe reservoirs were characterized in AMB-1: (1) magnetite enriched in the light Fe isotopes by 1.5 to 2.5‰ in δ56Fe relative to Fe sources, and (2) lysate enriched in the heavy Fe isotopes by 0.3 to 0.8‰ relative to Fe sources. More importantly, mass-independent fractionations in odd (57Fe) but not in even isotopes (54Fe, 56Fe and 58Fe) were observed for the first time, highlighting a magnetic isotope effect. Magnetite samples were significantly enriched in 57Fe by 0.23‰ relative to 54Fe, 56Fe and 58Fe. Based on our results, we propose a model for Fe cycling and magnetite biomineralization in AMB-1, and propose to use this specific mass-independent signature of Fe isotopes to evaluate the contribution of MTB to the iron biogeochemistry of recent and ancient environmental samples.
Kishimoto, S; Mitsui, T; Haruki, R; Yoda, Y; Taniguchi, T; Shimazaki, S; Ikeno, M; Saito, M; Tanaka, M
2014-11-01
We developed a silicon avalanche photodiode (Si-APD) linear-array detector for use in nuclear resonant scattering experiments using synchrotron X-rays. The Si-APD linear array consists of 64 pixels (pixel size: 100 × 200 μm(2)) with a pixel pitch of 150 μm and depletion depth of 10 μm. An ultrafast frontend circuit allows the X-ray detector to obtain a high output rate of >10(7) cps per pixel. High-performance integrated circuits achieve multichannel scaling over 1024 continuous time bins with a 1 ns resolution for each pixel without dead time. The multichannel scaling method enabled us to record a time spectrum of the 14.4 keV nuclear radiation at each pixel with a time resolution of 1.4 ns (FWHM). This method was successfully applied to nuclear forward scattering and nuclear small-angle scattering on (57)Fe.
Cai, Peng; Ruan, Wei; Zhou, Xiaodong; Ye, Cun; Wang, Aifeng; Chen, Xianhui; Lee, Dung-Hai; Wang, Yayu
2014-03-28
We use scanning tunneling microscopy to investigate the doping dependence of quasiparticle interference (QPI) in NaFe1-xCoxAs iron-based superconductors. The goal is to study the relation between nematic fluctuations and Cooper pairing. In the parent and underdoped compounds, where fourfold rotational symmetry is broken macroscopically, the QPI patterns reveal strong rotational anisotropy. At optimal doping, however, the QPI patterns are always fourfold symmetric. We argue this implies small nematic susceptibility and, hence, insignificant nematic fluctuation in optimally doped iron pnictides. Since TC is the highest this suggests nematic fluctuation is not a prerequistite for strong Cooper pairing.
Mössbauer and XRD study of novel quaternary Sn-Fe-Co-Ni electroplated alloy
NASA Astrophysics Data System (ADS)
Kuzmann, E.; Sziráki, L.; Stichleutner, S.; Homonnay, Z.; Lak, G. B.; El-Sharif, M.; Chisholm, C. U.
2017-11-01
Constant current electrochemical deposition technique was used to obtain quaternary alloys of Sn-Fe-Co-Ni from a gluconate electrolyte, which to date have not been reported in the literature. For the characterization of electroplated alloys, 57Fe and 119Sn Conversion Electron Mössbauer Spectroscopy (CEMS), XRD and SEM/EDAX were used. XRD revealed the amorphous character of the novel Sn-Fe-Co-Ni electrodeposited alloys. 57Fe Mössbauer spectrum of quaternary deposit with composition of 37.0 at% Sn, 38.8 at% Fe, 16.8 at% Co and 7.4 at% Ni displayed a magnetically split sextet (B = 28.9T) with broad lines typical of iron bearing ferromagnetic amorphous alloys. Magnetically split 119Sn spectra reflecting a transferred hyperfine field (B = 2.3T) were also observed. New quaternary Sn-Fe-Co-Ni alloys were successfully prepared.
Heat capacity measurements for cryolite (Na3AlF6) and reactions in the system NaFeAlSiOF
Anovitz, Lawrence M.; Hemingway, B.S.; Westrum, E.F.; Metz, G.W.; Essene, E.J.
1987-01-01
The heat capacity of cryolite (Na3AlF6) has been measured from 7 to 1000 K by low-temperature adiabatic and high-temperature differential scanning calorimetry. Low-temperature data were obtained on material from the same hand specimen in the calorimetric laboratories of the University of Michigan and U.S. Geological Survey. The results obtained are in good agreement, and yield average values for the entropy of cryolite of: S0298 = 238.5 J/mol KS0T-S0298 = 145.114 ln T+ 193.009*10-3T- 10.366* 105 T2- 872.89 J/mol K (273-836.5 K)??STrans = 9.9J/mol KS0T-S0298 =198.414 ln T+73.203* 10-3T-63.814* 105 T2-1113.11 J/mol K (836.5-1153 K) with the transition temperature between ??- and ??-cryolite taken at 836.5 K. These data have been combined with data in the literature to calculate phase equilibria for the system NaFeAlSiOF. The resultant phase diagrams allow constraints to be placed on the fO2, fF2, aSiO2 and T conditions of formation for assemblages in alkalic rocks. A sample application suggests that log fO2 is approximately -19.2, log fF2 is -31.9 to -33.2, and aSiO2 is -1.06 at assumed P T conditions of 1000 K, 1 bar for the villiaumite-bearing Ilimaussaq intrusion in southwestern Greenland. ?? 1987.
Behera, Rabindra K; Theil, Elizabeth C
2014-06-03
Ferritin biominerals are protein-caged metabolic iron concentrates used for iron-protein cofactors and oxidant protection (Fe(2+) and O2 sequestration). Fe(2+) passage through ion channels in the protein cages, like membrane ion channels, required for ferritin biomineral synthesis, is followed by Fe(2+) substrate movement to ferritin enzyme (Fox) sites. Fe(2+) and O2 substrates are coupled via a diferric peroxo (DFP) intermediate, λmax 650 nm, which decays to [Fe(3+)-O-Fe(3+)] precursors of caged ferritin biominerals. Structural studies show multiple conformations for conserved, carboxylate residues E136 and E57, which are between ferritin ion channel exits and enzymatic sites, suggesting functional connections. Here we show that E136 and E57 are required for ferritin enzyme activity and thus are functional links between ferritin ion channels and enzymatic sites. DFP formation (Kcat and kcat/Km), DFP decay, and protein-caged hydrated ferric oxide accumulation decreased in ferritin E57A and E136A; saturation required higher Fe(2+) concentrations. Divalent cations (both ion channel and intracage binding) selectively inhibit ferritin enzyme activity (block Fe(2+) access), Mn(2+) < Co(2+) < Cu(2+) < Zn(2+), reflecting metal ion-protein binding stabilities. Fe(2+)-Cys126 binding in ferritin ion channels, observed as Cu(2+)-S-Cys126 charge-transfer bands in ferritin E130D UV-vis spectra and resistance to Cu(2+) inhibition in ferritin C126S, was unpredicted. Identifying E57 and E136 links in Fe(2+) movement from ferritin ion channels to ferritin enzyme sites completes a bucket brigade that moves external Fe(2+) into ferritin enzymatic sites. The results clarify Fe(2+) transport within ferritin and model molecular links between membrane ion channels and cytoplasmic destinations.
Behera, Rabindra K.; Theil, Elizabeth C.
2014-01-01
Ferritin biominerals are protein-caged metabolic iron concentrates used for iron–protein cofactors and oxidant protection (Fe2+ and O2 sequestration). Fe2+ passage through ion channels in the protein cages, like membrane ion channels, required for ferritin biomineral synthesis, is followed by Fe2+ substrate movement to ferritin enzyme (Fox) sites. Fe2+ and O2 substrates are coupled via a diferric peroxo (DFP) intermediate, λmax 650 nm, which decays to [Fe3+–O–Fe3+] precursors of caged ferritin biominerals. Structural studies show multiple conformations for conserved, carboxylate residues E136 and E57, which are between ferritin ion channel exits and enzymatic sites, suggesting functional connections. Here we show that E136 and E57 are required for ferritin enzyme activity and thus are functional links between ferritin ion channels and enzymatic sites. DFP formation (Kcat and kcat/Km), DFP decay, and protein-caged hydrated ferric oxide accumulation decreased in ferritin E57A and E136A; saturation required higher Fe2+ concentrations. Divalent cations (both ion channel and intracage binding) selectively inhibit ferritin enzyme activity (block Fe2+ access), Mn2+ << Co2+ < Cu2+ < Zn2+, reflecting metal ion–protein binding stabilities. Fe2+–Cys126 binding in ferritin ion channels, observed as Cu2+–S–Cys126 charge-transfer bands in ferritin E130D UV-vis spectra and resistance to Cu2+ inhibition in ferritin C126S, was unpredicted. Identifying E57 and E136 links in Fe2+ movement from ferritin ion channels to ferritin enzyme sites completes a bucket brigade that moves external Fe2+ into ferritin enzymatic sites. The results clarify Fe2+ transport within ferritin and model molecular links between membrane ion channels and cytoplasmic destinations. PMID:24843174
Peng, Yuanlin; Brown, Natalie; Finnon, Rosemary; Warner, Christy L; Liu, Xianan; Genik, Paula C; Callan, Matthew A; Ray, F Andrew; Borak, Thomas B; Badie, Christophe; Bouffler, Simon D; Ullrich, Robert L; Bedford, Joel S; Weil, Michael M
2009-04-01
Since deletion of the PU.1 gene on chromosome 2 is a crucial acute myeloid leukemia (AML) initiating step in the mouse model, we quantified PU.1 deleted cells in the bone marrow of gamma-, X- and 56Fe-ion-irradiated mice at various times postirradiation. Although 56Fe ions were initially some two to three times more effective than X or gamma rays in inducing PU.1 deletions, by 1 month postirradiation, the proportions of cells with PU.1 deletions were similar for the HZE particles and the sparsely ionizing radiations. These results indicate that while 56Fe ions are more effective in inducing PU.1 deletions, they are also more effective in causing collateral damage that removes hit cells from the bone marrow. After X, gamma or 56Fe-ion irradiation, AML-resistant C57BL/6 mice have fewer cells with PU.1 deletions than CBA mice, and those cells do not persist in the bone marrow of the C57B6/6 mice. Our findings suggest that quantification of PU.1 deleted bone marrow cells 1 month postirradiation can be used as surrogate for the incidence of radiation-induced AML measured in large-scale mouse studies. If so, PU.1 loss could be used to systematically assess the potential leukemogenic effects of other ions and energies in the space radiation environment.
Unusual high B{sub s} for Fe-based amorphous powders produced by a gas-atomization technique
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yoshida, K.; Bito, M.; Kageyama, J.
2016-05-15
Fe-based alloy powders with a high Fe content of about 81 at.% were produced by a gas-atomization technique. Powders of Fe{sub 81}Si{sub 1.9}B{sub 5.7}P{sub 11.4} (at.%) alloy showed a good glass forming ability and exhibited unusual high saturation magnetic flux density of 1.57 T. The core-loss property at a frequency of 100 kHz for the compacted core made of the Fe{sub 81}Si{sub 1.9}B{sub 5.7}P{sub 11.4} powder is evaluated to be less than 500 kW/m{sup 3} under a maximum induction of 100 mT. Moreover, good DC-superposition characteristic of the core was also confirmed. These results suggest that the present Fe-based alloymore » powder is promising for low-loss magnetic-core materials and expected to contribute in miniaturization of electric parts in the near future.« less
Primary standardization of 57Co.
Koskinas, Marina F; Moreira, Denise S; Yamazaki, Ione M; de Toledo, Fábio; Brancaccio, Franco; Dias, Mauro S
2010-01-01
This work describes the method developed by the Nuclear Metrology Laboratory in IPEN, São Paulo, Brazil, for the standardization of a (57)Co radioactive solution. Cobalt-57 is a radionuclide used for calibrating gamma-ray and X-ray spectrometers, as well as a gamma reference source for dose calibrators used in nuclear medicine services. Two 4pibeta-gamma coincidence systems were used to perform the standardization, the first used a 4pi(PC) counter coupled to a pair of 76 mm x 76 mm NaI(Tl) scintillators for detecting gamma-rays, the other one used a HPGe spectrometer for gamma detection. The measurements were performed by selecting a gamma-ray window comprising the (122 keV+136 keV) total absorption energy peaks in the NaI(Tl) and selecting the total absorption peak of 122 keV in the germanium detector. The electronic system used the TAC method developed at LMN for registering the observed events. The methodology recently developed by the LMN for simulating all detection processes in a 4pibeta-gamma coincidence system, by means of the Monte Carlo technique, was applied and the behavior of extrapolation curve compared to experimental data. The final activity obtained by the Monte Carlo calculation agrees with the experimental results within the experimental uncertainty. Copyright 2009 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
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.
Wang, Bo; Zhan, Siyan; Sun, Jing; Lee, Liming
2009-10-01
The present pilot project aimed to assess the effectiveness of social mobilization and social marketing in improving knowledge, attitudes and practices (KAP) and Fe status in an Fe-deficient population. In an uncontrolled, before-after, community-based study, social mobilization and social marketing strategies were applied. The main outcomes included KAP and Hb level and were measured at baseline, 1 year later and 2 years later. One urban county and two rural counties in Shijiazhuang Municipality, Hebei Province, China. Adult women older than 20 years of age and young children aged from 3 to 7 years were selected from three counties to attend the evaluation protocol. After 1 year, most knowledge and attitudes had changed positively towards the prevention and control of anaemia. The percentage of women who had adopted NaFeEDTA-fortified soya sauce increased from 8.9% to 36.6% (P < or = 0.001). After 2 years, Hb levels had increased substantially, by 9.0 g/l (P < or = 0.001) in adult women and 7.7 g/l (P < or = 0.001) in young children. Social mobilization and social marketing activities had a positive impact on the KAP of adult women, and resulted in marked improvements in Hb levels in both adult women and young children. This should be recommended as a national preventive strategy to prevent and control Fe deficiency and Fe-deficiency anaemia.
A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts
NASA Astrophysics Data System (ADS)
Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho
2016-04-01
As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.
Lewis, Crystal S.; Moronta, Dominic; Terban, Maxwell W.; ...
2017-12-12
In this report, we have synthesized and structurally characterized nanowire bundles of cobalt-substituted pyroxenes, similar to the crystal structure of aegirine (i.e. Co-substituted XYSi 2O 6 with X and Y referring to metallic elements such as but not limited to Co, Na, and Fe), using a readily scalable hydrothermal technique. We then propose a growth mechanism for these bundles, based on detailed time and temperature dependent studies as well as complementary control experiments, particularly reactions in the absence of either 3-aminopropyltriethoxysilane (APTES) or sodium hydroxide (NaOH), via a transmission electron microscopy visualization study. Moreover, these nanowire bundles were probed formore » their magnetic properties and chemical composition using superconducting quantum interference device (SQUID) measurements, X-ray diffraction, and pair distribution function analysis, respectively. Specifically, SQUID measurement observations highlighted that these bundles evince (i) unique and interesting super-paramagnetic properties at 5 K that are consistent with that of our previously published ~2 nm ultra-small nanoparticles as well as (ii) paramagnetic behavior at 300 K.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lewis, Crystal S.; Moronta, Dominic; Terban, Maxwell W.
In this report, we have synthesized and structurally characterized nanowire bundles of cobalt-substituted pyroxenes, similar to the crystal structure of aegirine (i.e. Co-substituted XYSi 2O 6 with X and Y referring to metallic elements such as but not limited to Co, Na, and Fe), using a readily scalable hydrothermal technique. We then propose a growth mechanism for these bundles, based on detailed time and temperature dependent studies as well as complementary control experiments, particularly reactions in the absence of either 3-aminopropyltriethoxysilane (APTES) or sodium hydroxide (NaOH), via a transmission electron microscopy visualization study. Moreover, these nanowire bundles were probed formore » their magnetic properties and chemical composition using superconducting quantum interference device (SQUID) measurements, X-ray diffraction, and pair distribution function analysis, respectively. Specifically, SQUID measurement observations highlighted that these bundles evince (i) unique and interesting super-paramagnetic properties at 5 K that are consistent with that of our previously published ~2 nm ultra-small nanoparticles as well as (ii) paramagnetic behavior at 300 K.« less
Timing for a sustainable fertilisation of Glycine max by using HBED/Fe3+ and EDDHA/Fe3+ chelates.
Martín-Fernández, Clara; López-Rayo, Sandra; Hernández-Apaolaza, Lourdes; Lucena, Juan J
2017-07-01
Efficient use of Fe chelates is crucial to avoid environmental risks and reduce economic losses. HBED/Fe 3+ has been recently approved by the European Union for soil fertilisation, but studies delving into the best timing for its application are necessary. In this work, a batch incubation experiment and two biological experiments were developed to determine the optimal physiological stage for a sustainable application of HBED/Fe 3+ in soil fertilisation compared with EDDHA/Fe 3+ fertilisers using 57 Fe. HBED/Fe 3+ demonstrated a high durability in soils and soil materials, maintaining more than 80% of Fe chelated after 70 days, and its application at an early physiological stage resulted in a high Fe accumulation in soybean and soil after 36 days. In contrast, the stability of EDDHA/Fe 3+ decreased because of the retention of its lowest stable isomers. The best timing for chelates application was confirmed in a 52 day experiment. The application of HBED/Fe 3+ at the early stage increased the Fe translocation to fruits; while o,o-EDDHA/Fe 3+ accumulated more Fe in fruits when added at the fructification stage. The high HBED/Fe 3+ stability in calcareous soil requires a differentiate application timing, and its addition at early physiological stages leads into the most efficient fertilisation. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.
Liu, Na; Ding, Feng; Weng, Chih-Huang; Hwang, Chi-Chin; Lin, Yao-Tung
2018-01-15
The present study examined the oxidation power of a Fe 0 aggregates/persulfate (PS/Fe 0 ) system for the degradation of the wastewater containing mixed primary direct dyes (i.e., Sirius ® Gelb S-2G, Sirius ® Red F3B, and Sirius ® Turkis GL01). Results indicated that decolorization efficiency was determined by operating parameters of the PS/Fe 0 system and the structural complexity of dye molecules. System efficiency increased with increasing persulfate and Fe 0 dosages. Faster decolorization was observed in experiments conducted at pH < 10. The process obeyed a first-order kinetics. Slow heterogeneous reactions were observed at high initial pH (>10.5) and low PS concentration (<2 × 10 -3 M). Inhibitory effect occurred in systems containing salts Na 2 SO 4 , NaCl, Na 2 CO 3 , and Na 2 HPO 4 at 1 × 10 -2 M. The effect was suppressed when reaction temperature was raised to 55 °C. Heat enhanced not only decolorization efficiency, but also COD removal. Complete decolorization of a mixed dye containing ADMI (the American Dye Manufacture Institute) 15105 was achieved within10 min in the PS/Fe 0 /55 °C system with an initial pH of 6.0 and dosages of 5 × 10 -3 M Na 2 S 2 O 8 and 0.5 g/L Fe 0 . Low molecular weight intermediates including organic acids were identified. Due to a relatively low activation energy (4.68 kcaL/mol), the PS/Fe 0 system exhibited higher efficiency at higher temperature. This study demonstrated that Fe 0 -activated PS is a promising process for the treatment of textile wastewaters containing mixed azo direct dyes. Copyright © 2017 Elsevier Ltd. All rights reserved.
Han, J; Koutmos, M; Ahmad, S A; Coucouvanis, D
2001-11-05
A general method for the synthesis of high nuclearity Mo/Fe/S clusters is presented and involves the reductive coupling of the (Et(4)N)(2)[(Cl(4)-cat)MoOFeS(2)Cl(2)] (I) and (Et(4)N)(2)[Fe(2)S(2)Cl(4)] (II) clusters. The reaction of I and II with Fe(PR(3))(2)Cl(2) or sodium salts of noncoordinating anions such as NaPF(6) or NaBPh(4) in the presence of PR(3) (R = Et, (n)Pr, or (n)Bu) affords (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et (IIIa), (n)Pr (IIIb), (n)Bu (IIIc)], Fe(6)S(6)(PEt(3))(4)Cl(2) (IV) and (PF(6))[Fe(6)S(8)(P(n)Pr(3))(6)] (V) as byproducts. The isolation of (Et(4)N)[Fe(PEt(3))Cl(3)] (VI), NaCl, and SPEt(3) supports a reductive coupling mechanism. Cluster IV and V also have been synthesized by the reductive self-coupling of compound II. The reductive coupling reaction between I and II by PEt(3) and NaPF(6) in a 1:1 ratio produces the (Et(4)N)(2)[(Cl(4)-cat)Mo(L)Fe(3)S(4)Cl(3)] clusters [L = MeCN (VIIa), THF (VIIb)]. The hitherto unknown [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl](+) cluster (VIII) has been isolated as the 2:1 salt of the (Fe(PEt(3))(2)(MeCN)(4))(2+) cation after the reductive self-coupling reaction of I in the presence of Fe(PEt(3))(2)Cl(2). Cluster VIII crystallizes in the monoclinic space group P2(1)/c with a = 11.098(3) A, b = 22.827(6) A, c = 25.855(6) A, beta = 91.680(4) degrees, and Z = 4. The formal oxidation states of metal atoms in VIII have been assigned as Mo(III), Mo(IV), Fe(II), and Fe(III) on the basis of zero-field Mössbauer spectra. The Fe(PEt(3))(2)(MeCN)(4) cation of VIII is also synthesized independently, isolated as the BPh(4)(-) salt (IX), and has been structurally characterized. The reductive coupling of compound I also affords in low yield the new (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) cluster (X) as a byproduct. Cluster X crystallizes in the monoclinic space group P2(1)/n with a = 14.811(3) A, b = 22.188(4) A, c = 21.864(4) A, beta = 100.124(3) degrees, and Z = 4 and the structure shows very short Mo-Fe
Zhang, Ying; Chelme-Ayala, Pamela; Klamerth, Nikolaus; Gamal El-Din, Mohamed
2017-07-01
Naphthenic acids (NAs) are a highly complex mixture of organic compounds naturally present in bitumen and identified as the primary toxic constituent of oil sands process-affected water (OSPW). This work investigated the degradation of cyclohexanoic acid (CHA), a model NA compound, and natural occurring NAs during the UV photolysis of Fe(III)-nitrilotriacetic acid (UV-Fe(III)NTA) and UV-NTA-Fenton processes. The results indicated that in the UV-Fe(III)NTA process at pH 8, the CHA removal increased with increasing NTA dose (0.18, 0.36 and 0.72 mM), while it was independent of the Fe(III) dose (0.09, 0.18 and 0.36 mM). Moreover, the three Fe concentrations had no influence on the photolysis of the Fe(III)NTA complex. The main responsible species for the CHA degradation was hydroxyl radical (OH), and the role of dissolved O 2 in the OH generation was found to be negligible. Real OSPW was treated with the UV-Fe(III)NTA and UV-NTA-Fenton advanced oxidation processes (AOPs). The removals of classical NAs (O 2 -NAs), oxidized NAs with one additional oxygen atom (O 3 -NAs) and with two additional oxygen atoms (O 4 -NAs) were 44.5%, 21.3%, and 25.2% in the UV-Fe(III)NTA process, respectively, and 98.4%, 86.0%, and 81.0% in the UV-NTA-Fenton process, respectively. There was no influence of O 2 on the NA removal in these two processes. The results also confirmed the high reactivity of the O 2 -NA species with more carbons and increasing number of rings or double bond equivalents. This work opens a new window for the possible treatment of OSPW at natural pH using these AOPs. Copyright © 2017 Elsevier Ltd. All rights reserved.
Larrea, Edurne S; Mesa, José Luis; Legarra, Estibaliz; Aguayo, Andrés Tomás; Arriortua, Maria Isabel
2016-01-01
Single crystals of the title compound, potassium hexa-phosphito-penta-ferrate(II,III) hemihydrate, K0.75[Fe(II) 3.75Fe(III) 1.25(HPO3)6]·0.5H2O, were grown under mild hydro-thermal conditions. The crystal structure is isotypic with Li1.43[Fe(II) 4.43Fe(III) 0.57(HPO3)6]·1.5H2O and (NH4)2[Fe(II) 5(HPO3)6] and exhibits a [Fe(II) 3.75Fe(III) 1.25(HPO3)6](0.75-) open framework with disordered K(+) (occupancy 3/4) as counter-cations. The anionic framework is based on (001) sheets of two [FeO6] octa-hedra (one with point group symmetry 3.. and one with point group symmetry .2.) linked along [001] through [HPO3](2-) oxoanions. Each sheet is constructed from 12-membered rings of edge-sharing [FeO6] octa-hedra, giving rise to channels with a radius of ca 3.1 Å where the K(+) cations and likewise disordered water mol-ecules (occupancy 1/4) are located. O⋯O contacts between the water mol-ecule and framework O atoms of 2.864 (5) Å indicate hydrogen-bonding inter-actions of medium strength. The infrared spectrum of the compound shows vibrational bands typical for phosphite and water groups. The Mössbauer spectrum is in accordance with the presence of Fe(II) and Fe(III) ions.
NASA Astrophysics Data System (ADS)
Bondar, A.; Kozak, M.; Gnaciński, P.; Galazutdinov, G. A.; Beletsky, Y.; Krełowski, J.
2007-07-01
A new kind of interstellar cloud is proposed. These are rare (just a few examples among ~300 lines of sight) objects with the CaI 4227-Å, FeI 3720-Å and 3860-Å lines stronger than those of KI (near 7699 Å) and NaI (near 3302 Å). We propose the name `CaFe' for these clouds. Apparently they occupy different volumes from the well-known interstellar HI clouds where the KI and ultraviolet NaI lines are dominant features. In the CaFe clouds we have not found either detectable molecular features (CH, CN) or diffuse interstellar bands which, as commonly believed, are carried by some complex, organic molecules. We have found the CaFe clouds only along sightlines toward hot, luminous (and thus distant) objects with high rates of mass loss. In principle, the observed gas-phase interstellar abundances reflect the combined effects of the nucleosynthetic history of the material, the depletion of heavy elements into dust grains and the ionization state of these elements which may depend on irradiation by neighbouring stars. Based on data collected using the Maestro spectrograph at the Terskol 2-m telescope, Russia; and on data collected using the ESO Feros spectrograph; and on data obtained from the ESO Science Archive Facility acquired with the UVES spectrograph, Chile. E-mail: `arctur'@rambler.ru (AB); marizak@astri.uni.torun.pl (MK); pg@iftia.univ.gda.pl (PG); gala@boao.re.kr (GAG); ybialets@eso.org (YB); jacek@astri.uni.torun.pl (JK)
Fe isotopes and the contrasting petrogenesis of A-, I- and S-type granite
NASA Astrophysics Data System (ADS)
Foden, John; Sossi, Paolo A.; Wawryk, Christine M.
2015-01-01
We present new Fe isotope data of 42 S-, I- and A-type (ferroan) granites from the Cambrian Delamerian orogen in South Australia, the Palaeozoic Lachlan Fold Belt and Western USA. Interpretation of these data, together with modelling suggests that magmatic processes do result in quite complex Fe-isotopic differentiation trends and can lead to granites with isotopically heavy iron with δ57Fe > 0.35‰. By comparison Mid-Ocean Ridge Basalts (MORBs) have δ57Fe = 0.15‰ (Teng et al., 2013). These variations are similar to those previously reported (Poitrasson and Freydier, 2005; Heimann et al., 2008; Telus et al., 2012), but, contrary to some interpretations (Beard and Johnson, 2006; Heimann et al., 2008), heavy values are not necessarily the product of late-stage hydrothermal fluid loss, though this process is undoubtedly also an important factor in some circumstances. A-type (ferroan) granites reach very heavy δ57Fe values (0.4-0.5‰) whereas I-types are systematically lighter (δ57Fe = 0.2‰). S-type granites show a range of intermediate values, but also tend to be isotopically heavy (δ57Fe ≈ 0.2-0.4‰). Our results show that the iron isotopic values and trends are signatures that reflect granite generation processes. A modelling using the Rhyolite-MELTS software suggests that contrasting trajectories and end-points in Fe isotope evolution towards granite depend on: oxidation state of the evolving magma and, whether or not the system is oxygen-buffered. Iron isotopic evolution supports an origin of ferroan A-type granite from protracted, closed magma chamber fractionation of moderately reduced mafic magmas. In these systems magnetite saturation is delayed and the ferric iron budget is finite. I-type systems originate with the supply of relatively oxidised, hydrous, subduction-related magmas from the mantle wedge to the upper plate crust. These then experience oxygen-buffered open-system AFC processes in lower crustal hot-zones. S-type magmas are crustal
Zhao, Qinliang; Harris, T David; Betley, Theodore A
2011-06-01
Using a trinucleating hexaamide ligand platform, the all-ferrous hexanuclear cluster ((H)L)(2)Fe(6) (1) is obtained from reaction of 3 equiv of Fe(2)(Mes)(4) (Mes = 2,4,6-Me(3)C(6)H(2)) with 2 equiv of the ligand ((H)L)H(6). Compound 1 was characterized by X-ray diffraction analysis, (57)Fe Mössbauer, SQUID magnetometry, mass spectrometry, and combustion analysis, providing evidence for an S=6 ground state and delocalized electronic structure. The cyclic voltammogram of [((H)L)(2)Fe(6)](n+) in acetonitrile reveals a rich redox chemistry, featuring five fully reversible redox events that span six oxidation states ([((H)L)(2)Fe(6)](n+), where n=-1→4) within a 1.3 V potential range. Accordingly, each of these species is readily accessed chemically to provide the electron-transfer series [((H)L)(2)Fe(6)(NCMe)(m)][PF(6)](n) (m=0, n=-1 (2); m=2, n=1 (3); m=4, n=2 (4); m=6, n=3 (5); m=6, n=4 (6)). Compounds 2-6 were isolated and characterized by X-ray diffraction, (57)Fe Mössbauer and multinuclear NMR spectroscopy, and combustion analysis. Two-electron oxidation of the tetracationic cluster in 6 by 2 equiv of [NO](+) generates the thermally unstable hexacationic cluster [((H)L)(2)Fe(6)(NCMe)(m)](6+), which is characterized by NMR and (57)Fe Mössbauer spectroscopy. Importantly, several stepwise systematic metrical changes accompany oxidation state changes to the [Fe(6)] core, namely trans ligation of solvent molecules and variation in Mössbauer spectra, spin ground state, and intracluster Fe-Fe separation. The observed metrical changes are rationalized by considering a qualitative, delocalized molecular orbital description, which provides a set of frontier orbitals populated by Fe 3d electrons. © 2011 American Chemical Society
Bio-solid-State processes for synthesis of Li-Fe-phosphate.
Kim, Hyoung-Bum; Park, Byungno; Lee, Insung; Roh, Yul
2008-10-01
Lithium-Fe-phosphates have become of great interest as storage cathodes for rechargeable Li-batteries because of their high density, environmental friendliness, and safety. The objective of this study was to examine bio-solid-state synthesis of LiFePO4 by microbial processes at room temperature. The microbial reduction of Fe(III)-citrate using an organic carbon, glucose, as an electron donor in the presence of NaHPO4 and lithium that resulted in the formation of Li-substituted iron phosphate. Our studies showed that bacteria enriched from inter-tidal flat sediments, designated as Haejae-1, synthesized Li-substituted iron phosphate. Characterization by X-ray diffraction showed the reduction of Fe(III)-citrate in the presence of NaHPO4 and LiCl2 resulted in the precipitation of Li-substituted vivianite [Li(x)Fe(3-x)(PO4)2 x 8H2O]. SEM-EDX, FTIR, and ESCA analyses showed the chemical composition of the synthesized phases was Li, Fe, P, C, and O. Based on the chemical and physical structure of the mineral, the novel bio-nano-material may be potentially useful to the development of energy storage materials.
Morphological evolution of prussian yellow Fe[Fe(CN){sub 6}] colloidal nanospheres
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gu, Jianmin, E-mail: jmgu@ysu.edu.cn; Fu, Shaoyan; Jin, Cuihong
2016-07-15
A simple hydrothermal system was developed for controllable morphologies of the Prussian yellow Fe[Fe(CN){sub 6}] nanostructures in the presence of organic additives. Hollow and solid nanospheres of the Prussian yellow materials were successfully synthesized with suitable experimental conditions. It is found that the amounts of organic additives CTAB could result in the formation of the spherical nanocrystals and the hydrolysis of phosphate in the solution could play a role in the final morphology of the products. A possible formation mechanism of the Prussian yellow nanostructures is proposed. - Graphical abstract: A hydrothermal process was developed for controllable fabrication of themore » Prussian yellow hollow and solid nanospheres with the employment of different phosphate. The hydrolysis of phosphate in the solution could play a role in the morphology of the Prussian yellow nanomaterials. The acid phosphate (NaH{sub 2}PO{sub 4}) could result in the formation of the solid nanoparticles. The alkalescent phosphate (Na{sub 2}HPO{sub 4}) could result in the formation of the hollow nanoparticles. Display Omitted.« less
NASA Astrophysics Data System (ADS)
Fock, Jeppe; Bogart, Lara K.; González-Alonso, David; Espeso, Jose I.; Hansen, Mikkel F.; Varón, Miriam; Frandsen, Cathrine; Pankhurst, Quentin A.
2017-07-01
We evaluate the application of 57Fe Mössbauer spectroscopy to the determination of the composition of magnetite (Fe3O4)/maghemite (γ-Fe2O3) mixtures and the stoichiometry of magnetite-maghemite solid solutions. In particular, we consider a recently proposed model-independent method which does not rely on a priori assumptions regarding the nature of the sample, other than that it is free of other Fe-containing phases. In it a single parameter, {{\\overlineδ}\\text{RT}} —the ‘centre of gravity’, or area weighted mean isomer shift at room temperature, T = 295 ± 5 K—is extracted by curve-fitting a sample’s Mössbauer spectrum, and is correlated to the sample’s composition or stoichiometry. We present data on high-purity magnetite and maghemite powders, and mixtures thereof, as well as comparison literature data from nanoparticulate mixtures and solid solutions, to show that a linear correlation exists between {{\\overlineδ}\\text{RT}} and the numerical proportion of Fe atoms in the magnetite environment: α = Femagnetite/Fetotal =≤ft({{\\overlineδ}\\text{RT}}-{δ\\text{o}}\\right)/m , where {δ\\text{o}} = 0.3206 ± 0.0022 mm s-1 and m = 0.2135 ± 0.0076 mm s-1. We also present equations to relate α to the weight percentage w of magnetite in mixed phases, and the magnetite stoichiometry x = Fe2+/Fe3+ in solid solutions. The analytical method is generally applicable, but is most accurate when the absorption profiles are sharp; in some samples this may require spectra to be recorded at reduced temperatures. We consider such cases and provide equations to relate \\overlineδ(T) to the corresponding α value.
Adsorption of proteins on γ-Fe2O3 and γ-Fe2O3/SiO2 magnetic materials
NASA Astrophysics Data System (ADS)
Khokhlova, T. D.
2017-10-01
γ-Fe2O3-SiO2 composites are synthesized via the coprecipitation of a γ-Fe2O3 magnetic carrier (with specific surface S = 17 m2/g and pore volume V = 0.51 cm3/g) and silicon dioxide from an aqueous glass (sodium silicate) solution. The effect coagulation agent NaCl has on the coprecipitation process and structural characteristics of the composite is discussed. Adding NaCl to the aqueous glass solution prevents the formation of SiO2 macrogel making it possible to obtain highly porous composites with high adsorption capacity for proteins cytochrome C and hemoglobin. It is established that a composite that is 50% SiO2 and produced with the addition of 5% NaCl ( S = 150 m2/g and V = 0.87 cm3/g) has a sixfold and twofold higher capacity (280 and 175 mg/g) for cytochrome C and hemoglobin, respectively, than the initial ferric oxide (45 and 82 mg/g). The capacity for cytochrome C and hemoglobin of a composite synthesized without NaCl ( S = 50 m2/g and V = 0.45 cm3/g) is 19 and 20 mg/g, respectively, which is twofold and fourfold lower than those of the initial γ-Fe2O3. The dependence of protein adsorption on pH and the ionic strength of a solution is studied, and the conditions for the maximum adsorption and complete desorption of proteins are established. It is concluded that composites synthesized with additions of NaCl can be used as magnetocontrollable sorbents for the purification, concentration, and immobilization of proteins, and for the preparation of biocatalysts based on immobilized enzymes.
Ohki, Yasuhiro; Yasumura, Kazunari; Kuge, Katsuaki; Tanino, Soichiro; Ando, Masaru; Li, Zilong; Tatsumi, Kazuyuki
2008-01-01
The reaction of NiBr2(EtOH)4 with a 1:2–3 mixture of FeBr2(CO)4 and Na(SPh) generated a linear trinuclear Fe–Ni–Fe cluster (CO)3Fe(μ-SPh)3Ni(μ-SPh)3Fe(CO)3, 1, whereas the analogous reaction system FeBr2(CO)4/Na(StBu)/NiBr2(EtOH)4 (1:2–3:1) gave rise to a linear tetranuclear Fe–Ni–Ni–Fe cluster [(CO)3Fe(μ-StBu)3Ni(μ-Br)]2, 2. By using this tetranuclear cluster 2 as the precursor, we have developed a new synthetic route to a series of thiolate-bridged dinuclear Fe(CO)3–Ni complexes, the structures of which mimic [NiFe] hydrogenase active sites. The reactions of 2 with SC(NMe2)2 (tmtu), Na{S(CH2)2SMe} and ortho-NaS(C6H4)SR (R = Me, tBu) led to isolation of (CO)3Fe(μ-StBu)3NiBr(tmtu), 3, (CO)3Fe(StBu)(μ-StBu)2Ni{S(CH2)2SMe}, 4, and (CO)3Fe(StBu)(μ-StBu)2Ni{S(C6H4)SR}, 5a (R = Me) and 5b (R = tBu), respectively. On the other hand, treatment of 2 with 2-methylthio-phenolate (ortho-O(C6H4)SMe) in methanol resulted in (CO)3Fe(μ-StBu)3Ni(MeOH){O(C6H4)SMe}, 6a. The methanol molecule bound to Ni is labile and is readily released under reduced pressure to afford (CO)3Fe(StBu)(μ-StBu)2Ni{O(C6H4)SMe}, 6b, and the coordination geometry of nickel changes from octahedral to square planar. Likewise, the reaction of 2 with NaOAc in methanol followed by crystallization from THF gave (CO)3Fe(μ-StBu)3Ni(THF)(OAc), 7. The dinuclear complexes, 3-7, are thermally unstable, and a key to their successful isolation is to carry out the reactions and manipulations at −40°C. PMID:18511566
Raheem, Azhr A.; Wilke, Martin; Borgwardt, Mario; Engel, Nicholas; Bokarev, Sergey I.; Grell, Gilbert; Aziz, Saadullah G.; Kühn, Oliver; Kiyan, Igor Yu.; Merschjann, Christoph; Aziz, Emad F.
2017-01-01
The kinetics of ultrafast photoinduced structural changes in linkage isomers is investigated using Na2[Fe(CN)5NO] as a model complex. The buildup of the metastable side-on configuration of the NO ligand, as well as the electronic energy levels of ground, excited, and metastable states, has been revealed by means of time-resolved extreme UV (XUV) photoelectron spectroscopy in aqueous solution, aided by theoretical calculations. Evidence of a short-lived intermediate state in the isomerization process and its nature are discussed, finding that the complete isomerization process occurs in less than 240 fs after photoexcitation. PMID:28713840
Magnetic measurements of superconducting LiFeAs single crystals under high pressure
NASA Astrophysics Data System (ADS)
Miyoshi, Kiyotaka; Otsuka, Keisuke; Ogawa, Saki; Takeuchi, Jun
2018-05-01
Measurements of DC magnetization for single crystal specimens of LiFeAs have been performed under pressure using liquid argon and NaCl as pressure transmitting media (PTM) to generate hydrostatic and nearly uniaxial pressure along c-axis, respectively. It has been found that Tc linearly decreases under pressure with pressure coefficient dTc / dP ∼ - 1.6 - 1.7 K/GPa, and then shows a pressure independent behavior with Tc ∼ 8 K above 5 GPa. These behaviors are observed independently of whether we select liquid argon or NaCl as PTM. This suggests that c-axis lattice constant is not an important factor to determine Tc in LiFeAs, in contrast to KxFe2-ySe2 and (NH3)yAxFe2Se2 (A=alkali metal).
NASA Astrophysics Data System (ADS)
Maulia, R.; Putra, R. A.; Suharyadi, E.
2017-05-01
Mg0.5Ni0.5Fe2O4 nanoparticles have been successfully synthesized by using co-precipitation method and varying the synthesis parameter, i.e. synthesis temperature and NaOH concentration. X-ray Diffraction (XRD) pattern showed that nanoparticles have cubic spinel structures with an additional phase of γ-Fe2O3 and particle size varies within the range of 4.3 - 6.7 nm. This variation is due to the effect of various synthesis parameters. Transmission Electron Microscopy (TEM) image showed that the nanoparticles exhibited agglomeration. The observed diffraction ring from selected area electron diffraction showed that the sample was polycrystalline and confirmed the peak appearing in XRD. The coercivities showed an increasing trend with an increase in particle size from 44.7 Oe to 49.6 Oe for variation of NaOH concentration, and a decreasing trend with an increase in particle size from 46.8 to 45.1 Oe for variation of synthesis temperature. The maximum magnetization showed an increasing trend with an increase in the ferrite phase from 3.7 emu/g to 5.4 emu/g possessed in the sample with variations on NaOH concentration. The maximum magnetization for the sample with variations on synthesis temperature varied from 4.4 emu/g to 5.7 emu/g due to its crystal structures.
NASA Astrophysics Data System (ADS)
Trouwborst, Robert E.; Johnston, Anne; Koch, Gretchen; Luther, George W.; Pierson, Beverly K.
2007-10-01
We studied the role of microbial photosynthesis in the oxidation of Fe(II) to Fe(III) in a high Fe(II) and high Mn(II) hot spring devoid of sulfide and atmospheric oxygen in the source waters. In situ light and dark microelectrode measurements of Fe(II), Mn(II) and O 2 were made in the microbial mat consisting of cyanobacteria and anoxygenic photosynthetic Chloroflexus sp. We show that Fe(II) oxidation occurred when the mat was exposed to varying intensities of sunlight but not near infrared light. We did not observe any Mn(II) oxidation under any light or dark condition over the pH range 5-7. We observed the impact of oxygenic photosynthesis on Fe(II) oxidation, distinct from the influence of atmospheric O 2 and anoxygenic photosynthesis. In situ Fe(II) oxidation rates in the mats and cell suspensions exposed to light are consistent with abiotic oxidation by O 2. The oxidation of Fe(II) to form primary Fe(III) phases contributed to banded iron-formations (BIFs) during the Precambrian. Both oxygenic photosynthesis, which produces O 2 as an oxidizing waste product, and anoxygenic photosynthesis in which Fe(II) is used to fix CO 2 have been proposed as Fe(II) oxidation mechanisms. Although we do not know the specific mechanisms responsible for all Precambrian Fe(II) oxidation, we assessed the relative importance of both mechanisms in this modern hot spring environment. In this environment, cyanobacterial oxygen production accounted for all the observed Fe(II) oxidation. The rate data indicate that a modest population of cyanobacteria could have mediated sufficient Fe(II) oxidation for some BIFs.
Interface spins in polycrystalline FeMn/Fe bilayers with small exchange bias
NASA Astrophysics Data System (ADS)
Pires, M. J. M.
2018-04-01
The magnetic moments at the interface between ferromagnetic and antiferromagnetic layers play a central role in exchange biased systems, but their behavior is still not completely understood. In this work, the FeMn/Fe interface in polycrystalline thin films has been studied using conversion electron Mössbauer spectroscopy (CEMS), magneto-optic Kerr effect (MOKE) and micromagnetic simulations. Samples were prepared with 57Fe layers at two distinct depths in order to probe the interface and bulk behaviors. At the equilibrium, the interface moments are randomly oriented while the bulk of the Fe layer has an in-plane magnetic anisotropy. Several models for the interface and anisotropies of the layers were used in the simulations of spin configurations and hysteresis loops. From the whole set of simulations, one can conclude the direct analysis of hysteresis curves is not enough to infer whether the interface has a configuration with spins tilted out of the film plane at equilibrium since different choices of parameters provide similar curves. The simulations have also shown the occurrence of spin clusters at the interface is compatible with CEMS and MOKE measurements.
Hexanuclear Fe(III) wheels functionalized by amino-acetonitrile derivatives
NASA Astrophysics Data System (ADS)
Kravtsov, Victor Ch.; Malaestean, Iurie; Stingach, Eugenia P.; Duca, Gheorghe G.; Macaev, Fliur Z.; van Leusen, Jan; Kögerler, Paul; Hauser, Jürg; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Ghosh, Ashta C.; Garcia, Yann; Baca, Svetlana G.
2018-04-01
Three new hexanuclear Fe(III) coordination wheels [Fe6Cl6(L1)6]·5(MeCN) (1), [Na0.5Fe6Cl6(L1)6](N3)0.5·4.5(MeCN) (2), and [Fe6Cl6(L2)6]·2(MeCN) (3) have been synthesized with new prepared amino-acetonitrile derivatives 2-[bis(2-hydroxyethyl)amino]acetonitrile hydrochloride (H2L1) and 3-[bis(2-hydroxyethyl)amino]propanenitrile hydrochloride (H2L2). They were structurally characterized by single-crystal X-ray diffraction. Mößbauer spectroscopy and magnetic susceptibility measurements indicate dominant antiferromagnetic behavior between the Fe(III) centers.
Harbaoui, Douha; Sanad, Moustafa M S; Rossignol, Cécile; Hlil, El Kebir; Amdouni, Noureddine; Obbade, Saïd
2017-11-06
Herein we report the studies of different physical properties (structural, magnetic, thermal, morphologic, electrical, and electrochemical) of two new allotropic β-Na 2 Ni 2 M(PO 4 ) 3 (NNMP) phosphates, with M = Fe and Al. Pure orthorhombic single-phase powders were prepared under air, using an autocombustion synthesis method. They crystallize in the orthorhombic Imma space group with similar unit cell parameters [a = 10.1592(2), b = 13.0321(3), c = 6.4864(2) Å] and [a = 10.3993(1), b = 13.1966(1), c = 6.4955(1) Å] for β-Na 2 Ni 2 M(PO 4 ) 3 (NNAP) and β-Na 2 Ni 2 Fe(PO 4 ) 3 (NNFP), respectively. Crystal structures of both compounds were determined using X-ray powder diffraction and Rietveld method refinements, which indicate the occurrence of Ni 2+ in the 8g site, and of M 3+ in the 4a site of the structure. The structure consists of a three-dimensional anionic framework obtained by the association on MO 6 , NiO 6 , and PO 4 polyhedra, sharing edges and corners. The resulting three-dimensional structure creates monodimensional channels along the [100] and [010] directions formed by face-shared oxygen polyhedra and occupied by Na + cations. This nondisordered cationic distribution is confirmed by a significant change of magnetic properties. Thus, both NNAP and NNFP samples show paramagnetic to ferromagnetic transition at 14 and 19 K, respectively. For the two compounds, thermal stability, electrical conductivity, and electrochemical properties have been also investigated. The intercalation/desintercalation properties of NNMP compounds as positive electrode were tested in sodium-ion batteries. The first cycling curves exhibit a significant polarization for both prepared samples.
Promising critical current density characteristics of Ag-sheathed (Sr,Na)Fe2As2 tape
NASA Astrophysics Data System (ADS)
Suwa, Takahiro; Pyon, Sunseng; Tamegai, Tsuyoshi; Awaji, Satoshi
2018-06-01
We report the fabrication of (Sr,Na)Fe2As2 superconducting tapes by the powder-in-tube technique and their characteristics, including the transport critical current density J c at 4.2 K up to 140 kOe, the magnetic J c estimated from magnetic hysteresis curves, magneto-optical (MO) images, and scanning electron microscopy images. In a tape sintered at 875 °C for 1 h, the transport J c reaches 26 kA/cm2 at 4.2 K and 100 kOe for a field perpendicular to the tape surface. When the field is parallel to the tape surface, the magnetic J c exceeds the practical level of 100 kA/cm2 at 4.2 K below 25 kOe. Analysis of the MO images reveals clear current discontinuity lines in the core, indicating that the current flows homogeneously and the connections between grains are strong in the core.
A method for determination of [Fe3+]/[Fe2+] ratio in superparamagnetic iron oxide
NASA Astrophysics Data System (ADS)
Jiang, Changzhao; Yang, Siyu; Gan, Neng; Pan, Hongchun; Liu, Hong
2017-10-01
Superparamagnetic iron oxide nanoparticles (SPION), as a kind of nanophase materials, are widely used in biomedical application, such as magnetic resonance imaging (MRI), drug delivery, and magnetic field assisted therapy. The magnetic property of SPION has close connection with its crystal structure, namely it is related to the ratio of Fe3+ and Fe2+ which form the SPION. So a simple way to determine the content of the Fe3+ and Fe2+ is important for researching the property of SPION. This review covers a method for determination of the Fe3+ and Fe2+ ratio in SPION by UV-vis spectrophotometry based the reaction of Fe2+ and 1,10-phenanthroline. The standard curve of Fe with R2 = 0.9999 is used for determination the content of Fe2+ and total iron with 2.5 mL 0.01% (w/v) SPION digested by HCl, pH = 4.30 HOAc-NaAc buffer 10 mL, 0.01% (w/v) 1,10-phenanthroline 5 mL and 10% (w/v) ascorbic acid 1 mL for total iron determine independently. But the presence of Fe3+ interfere with obtaining the actual value of Fe2+ (the error close to 9%). We designed a calibration curve to eliminate the error by devising a series of solution of different ratio of [Fe3+]/[Fe2+], and obtain the calibration curve. Through the calibration curve, the error between the measured value and the actual value can be reduced to 0.4%. The R2 of linearity of the method is 0.99441 and 0.99929 for Fe2+ and total iron respectively. The error of accuracy of recovery and precision of inter-day and intra-day are both lower than 2%, which can prove the reliability of the determination method.
Magnetic properties of Fe-doped NiO nanoparticles
NASA Astrophysics Data System (ADS)
Kurokawa, A.; Sakai, N.; Zhu, L.; Takeuchi, H.; Yano, S.; Yanoh, T.; Onuma, K.; Kondo, T.; Miike, K.; Miyasaka, T.; Ichiyanagi, Y.
2013-08-01
Ni1- x Fe x O ( x = 0, 0.05, 0.1) nanoparticles with several nanometers encapsulated with amorphous SiO2 were prepared by our novel preparation method. A NiO single phase structure was confirmed using the X-ray diffraction measurements. It is considered that Ni ions are replaced by Fe ions because it is observed that the lattice constant decreases. The temperature dependence behavior of the magnetization revealed that the blocking temperature, T B , shifted from 17 to 57 K as the amount of Fe ions increased, and that below T B , ferromagnetic behaviors were exhibited. The coercive force, H C , increased from 0.8 to 1.5 kOe as the amount of Fe ions increased.
Stabilizing Fe Nanoparticles in the SmCo 5 Matrix
Shen, Bo; Mendoza-Garcia, Adriana; Baker, Sarah E.; ...
2017-08-03
In this paper, we report a new strategy for stabilizing Fe nanoparticles (NPs) in the preparation of SmCo 5–Fe nanocomposites. We coat the presynthesized Fe NPs with SiO 2 and assemble the Fe/SiO 2 NPs with Sm–Co–OH to form a mixture. After reductive annealing at 850 °C in the presence of Ca, we obtain SmCo 5–Fe/SiO 2 composites. Following aqueous NaOH washing and compaction, we produced exchange-coupled SmCo 5–Fe nanocomposites with Fe NPs controlled at 12 nm. In conclusion, our work demonstrates a successful strategy of stabilizing high moment magnetic NPs in a hard magnetic matrix to produce a nanocompositemore » with tunable magnetic properties.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Parmar, Kusum, E-mail: prmrkusum@gmail.com; Sharma, Hakikat; Negi, N. S.
2016-05-23
Lead free (Na{sub 0.5}Bi{sub 0.5}) {sub 0.99}La{sub 0.01}Ti{sub 0.988} Fe{sub 0.012}O{sub 3} (NBLTF) system has been synthesized by sol gel method without and with 2 mol% excess of Na and Bi. X-ray diffraction patterns of NBLTF samples confirm perovskite structure having rhombohedral R3c phase symmetry. Metal oxide band observed at ~ 629 cm{sup −1} wavnumber in FTIR spectra also confirm formation of perovskite phase in samples. Microstructural analysis exhibits dense crystal growth having better grains connectivity for NBLTF sample with 2 mol% excess Na/Bi which is supported by room temperature DC resistivity measurements. Dense crystal growth and low leakage currentmore » with 2 mol% excess Na/Bi is reported to improve multiferroic properties of NBLTF sample and provides new insight to explore single phase lead free multiferroic system.« less
Liu, Haibo; Peng, Shuchuan; Shu, Lin; Chen, Tianhu; Bao, Teng; Frost, Ray L
2013-06-01
The optimum parameters for synthesis of zeolite NaA based on metakaolin were investigated according to results of cation exchange capacity and static water adsorption of all synthesis products and selected X-ray diffraction (XRD). Magnetic zeolite NaA was synthesized by adding Fe3O4 in the precursor of zeolite. Zeolite NaA and magnetic zeolite NaA were characterized with scanning electron microscopy (SEM) and XRD. Magnetic zeolite NaA with different Fe3O4 loadings was prepared and used for removal of heavy metals (Cu(2+), Pb(2+)). The results show the optimum parameters for synthesis zeolite NaA are SiO2/Al2O3=2.3, Na2O/SiO2=1.4, H2O/Na2O=50, crystallization time 8h, crystallization temperature 95 °C. The addition of Fe3O4 makes the NaA zeolite with good magnetic susceptibility and good magnetic stability regardless of the Fe3O4 loading, confirming the considerable separation efficiency. Additionally, Fe3O4 loading had a little effect on removal of heavy metal by magnetic zeolite, however, the adsorption capacity still reaches 2.3 mmol g(-1) for Cu(2+), Pb(2+) with a removal efficiency of over 95% in spite of 4.7% Fe3O4 loading. This indicates magnetic zeolite can be used to remove metal heavy at least Cu(2+), Pb(2+) from water with metallic contaminants and can be separated easily after a magnetic process. Copyright © 2013 Elsevier Ltd. All rights reserved.
The Corrosion Behavior of Pure Iron under Solid Na2SO4 Deposit in Wet Oxygen Flow at 500 °C
Tang, Yanbing; Liu, Li; Fan, Lei; Li, Ying; Wang, Fuhui
2014-01-01
The corrosion behavior of pure Fe under a Na2SO4 deposit in an atmosphere of O2 + H2O was investigated at 500 °C by thermo gravimetric, and electrochemical measurements, viz. potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and surface characterization methods viz. X-ray diffraction (XRD), and scanning electron microscope (SEM)/energy dispersive spectroscopy(EDS). The results showed that a synergistic effect occurred between Na2SO4 and O2 + H2O, which significantly accelerated the corrosion rate of the pure Fe. Briefly, NaFeO2 was formed in addition to the customary Fe oxides; at the same time, H2SO4 gas was produced by introduction of water vapor. Subsequently, an electrochemical corrosion reaction occurred due to the existence of Na2SO4, NaFeO2, and H2O. When this coupled to the chemical corrosion reaction, the progress of the chemical corrosion reaction was promoted and eventually resulted in the acceleration of the corrosion of the pure Fe. PMID:28788182
Yue, Ji -Li; Yang, Xiao -Qing; Zhou, Yong -Ning; ...
2015-10-09
High rate capability and long cycle life are challenging goals for the development of room temperature sodium-ion batteries. Here we report a new single phase quaternary O3-type layer-structured transition metal oxide Na(NiCoFeTi) 1/4O 2 synthesized by a simple solid-state reaction as a new cathode material for sodium-ion batteries. It can deliver a reversible capacity of 90.6 mA h g –1 at a rate as high as 20C. At 5C, 75.0% of the initial specific capacity can be retained after 400 cycles with a capacity-decay rate of 0.07% per cycle, demonstrating a superior long-term cyclability at high current density. X-ray diffractionmore » and absorption characterization revealed reversible phase transformations and electronic structural changes during the Na + deintercalation/intercalation process. Ni, Co and Fe ions contribute to charge compensation during charge and discharge. Although Ti ions do not contribute to the charge transfer, they play a very important role in stabilizing the structure during charge and discharge by suppressing the Fe migration. Additionally, Ti substitution can also smooth the charge–discharge plateaus effectively, which provides a potential advantage for the commercialization of this material for room temperature sodium-ion batteries.« less
Zhang, Zhongfei; Gao, Boyan; Zhang, Xiaowei; Jiang, Yuanrong; Xu, Xuebing; Yu, Liangli Lucy
2015-02-18
This study investigated whether and how triacylglycerol (TAG) may serve as a precursor for 3-monochloro-1,2-propanediol (3-MCPD) fatty acid ester formation using tristearoylglycerol (TSG). TSG was reacted with inorganic chloride compounds including NaCl, KCl, FeCl2, CuCl2, ZnCl2, FeCl3 and dry HCl, or organic chlorine compound lindane at different temperatures. Only FeCl2 and FeCl3 were able to form 3-MCPD esters from TSG. Further electron spin resonance (ESR) determination of TSG, Fe2(SO4)3 and 5,5-dimethylpyrroline-N-oxide (DMPO) reactions revealed potential of Fe ion in promoting free radical generations under the experimental conditions. To further confirm the effect of Fe ion, chelating agent (EDTA-2Na) was added to the model reactions. The results showed for the first time that EDTA-2Na was able to reduce the generation of 3-MCPD esters. In addition, FT-IR examination indicated a possible involvement of a carbonyl group during the reaction. Taking all the observations together, the possible mechanisms, involving the formation of either a cyclic acyloxonium or a glycidol ester radical intermediate, were proposed for generating 3-MCPD fatty acid di- and mono- esters from TAG under a high temperature and low moisture condition, as well as the coformation of glycidol esters. The results from this study may be useful for reducing the level of 3-MCPD esters and related toxicants in the refined edible oils and food products.
NASA Astrophysics Data System (ADS)
Wahyuningsih, S.; Ramelan, A. H.; Pranata, H. P.; Hanif, Q. A.; Ismoyo, Y. A.; Ichsan, K. F.
2016-11-01
Preparation of Fe2O3/TiO2 composite from Sukabumi iron sand by magnetic separation, roasting, leaching and precipitation treatment has been carried out. Magnetic separation can separate magnetic particles and non-magnetic particles of iron sand content, while the non-magnetic particles (wustite (FeO), hematite (α-Fe2O3), maghemite (γ-Fe2O3) and magnetite (Fe3O4)) was washing with oxalic acid 1 M. The result product then was roasted at 800 °C treated by sodium carbonate (Na2CO3) addition of 1:1; 2:1 and 1:2 (w/w) of iron sand to Na2CO3 weight ratio, respectively. The X-Ray Fluorescence (XRF) analysis result shown that Sukabumi iron sand have hematite (Fe2O3) and titanium dioxide (TiO2) content about 72.17% dan 14.42%. XRD analysis of roasted iron sand shown the rutile (TiO2), Hematite (Fe2O3), NaFeO2, FeO, and Na2TiO3. Leaching of roasted iron sand using sulphuric acid (H2SO4) have influenced by concentrations of the H2SO4 solution. The optimum iron sand dissolution occurred in H2SO4 9 M, which condensation product of the leachant have a weight ratio of Fe:Ti = 1:1 (w/w). Meanwhile, the settling back-filtrate result of second condensation was obtained a ratio of Fe2O3: TiO2 of 3: 1 (w/w).
The enhancement in dielectric and magnetic property in Na and Mn co substituted lanthanum ferrite
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rai, Atma, E-mail: atma@iitp.ac.in; Thakur, Awalendra K., E-mail: akt@iitp.ac.in; Centre for Energy and Environment Indian Institute of Technology Patna 800013 India
2016-05-06
Nanocrystalline solid solutions of La{sub 1-x}Na{sub x}Fe{sub 1-y}Mn{sub y}O{sub 3} (x=y=0.00 and 0.25) were prepared via modified Pechini route. No evidence of secondary or impurity phase has been detected up to the detection of error limit of high power X-ray diffractometer. Dielectric property of the samples has been investigated in the frequency range 100 Hz-4MHz at temperature ranging 300–450K. The value of relative permittivity (ε{sub r}) increases drastically and shows colossal dielectric response (∼10{sup 4}) by cosubstitution of Na and Mn as compared to pure LaFeO{sub 3}. Dielectric relaxation peak in loss tangent in both samples have been found and shiftmore » towards higher frequency region as temperature increases. Magnetization-Field (M-H) loop of the calcined sample have been recorded at room temperature (300K) at field ±60kOe. Magnetic property also enhanced by co substitution of Na and Mn. The change in Fe/Mn-O-Fe/Mn angle by co-substitution of Na and Mn in LaFeO{sub 3} and indirect exchange interaction between two different magnetic sub lattices Fe and Mn might be responsible for drastic change. Saturation/maximum magnetic moment increase ∼four times in LNFM25 (5.335emu/g) as compared to pure LaFeO{sub 3} (1.302emu/g).« less
Formation of Ni3Fe nanoparticles as studied using Mössbauer spectroscopy
NASA Astrophysics Data System (ADS)
Parvathy, N. S.; Govindaraj, R.; Vinod, K.; Amarendra, G.
2018-05-01
Nickel and iron in the ratio of 3:1 have been taken and subjected to high energy ball milling and systematic post annealing treatments to obtain Ni3Fe. Structural and bulk magnetic properties have been deduced using XRD and magnetization studies, while the results of Mössbauer studies are used to deduce distinct 57Fe sites based on the hyperfine parameters. Formation of disordered Ni3Fe has been elucidated based on this study.
CO-Bridged H-Cluster Intermediates in the Catalytic Mechanism of [FeFe]-Hydrogenase CaI
Ratzloff, Michael W.; Artz, Jacob H.; Mulder, David W.; ...
2018-05-23
The [FeFe]-hydrogenases ([FeFe] H 2ases) catalyze reversible H 2 activation at the H-cluster, which is composed of a [4Fe-4S] H subsite linked by a cysteine thiolate to a bridged, organometallic [2Fe-2S] ([2Fe] H) subsite. Profoundly different geometric models of the H-cluster redox states that orchestrate the electron/proton transfer steps of H 2 bond activation have been proposed. We have examined this question in the [FeFe] H 2ase I from Clostridium acetobutylicum (CaI) by Fourier-transform infrared (FTIR) spectroscopy with temperature annealing and H/D isotope exchange to identify the relevant redox states and define catalytic transitions. One-electron reduction of H ox ledmore » to formation of H redH + ([4Fe-4S] H 2+-Fe I-Fe I) and H red' ([4Fe-4S] H 1+-Fe II-Fe I), with both states characterized by low frequency μ-CO IR modes consistent with a fully bridged [2Fe] H. Similar μ-CO IR modes were also identified for H redH + of the [FeFe] H 2ase from Chlamydomonas reinhardtii (CrHydA1). The CaI proton-transfer variant C298S showed enrichment of an H/D isotope-sensitive μ-CO mode, a component of the hydride bound H-cluster IR signal, H hyd. Equilibrating CaI with increasing amounts of NaDT, and probed at cryogenic temperatures, showed H redH + was converted to H hyd. Over an increasing temperature range from 10 to 260 K catalytic turnover led to loss of Hhyd and appearance of H ox, consistent with enzymatic turnover and H 2 formation. The results show for CaI that the μ-CO of [2Fe] H remains bridging for all of the 'H red' states and that H redH + is on pathway to H hyd and H 2 evolution in the catalytic mechanism. Here, this provides a blueprint for designing small molecule catalytic analogs« less
CO-Bridged H-Cluster Intermediates in the Catalytic Mechanism of [FeFe]-Hydrogenase CaI
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ratzloff, Michael W.; Artz, Jacob H.; Mulder, David W.
The [FeFe]-hydrogenases ([FeFe] H 2ases) catalyze reversible H 2 activation at the H-cluster, which is composed of a [4Fe-4S] H subsite linked by a cysteine thiolate to a bridged, organometallic [2Fe-2S] ([2Fe] H) subsite. Profoundly different geometric models of the H-cluster redox states that orchestrate the electron/proton transfer steps of H 2 bond activation have been proposed. We have examined this question in the [FeFe] H 2ase I from Clostridium acetobutylicum (CaI) by Fourier-transform infrared (FTIR) spectroscopy with temperature annealing and H/D isotope exchange to identify the relevant redox states and define catalytic transitions. One-electron reduction of H ox ledmore » to formation of H redH + ([4Fe-4S] H 2+-Fe I-Fe I) and H red' ([4Fe-4S] H 1+-Fe II-Fe I), with both states characterized by low frequency μ-CO IR modes consistent with a fully bridged [2Fe] H. Similar μ-CO IR modes were also identified for H redH + of the [FeFe] H 2ase from Chlamydomonas reinhardtii (CrHydA1). The CaI proton-transfer variant C298S showed enrichment of an H/D isotope-sensitive μ-CO mode, a component of the hydride bound H-cluster IR signal, H hyd. Equilibrating CaI with increasing amounts of NaDT, and probed at cryogenic temperatures, showed H redH + was converted to H hyd. Over an increasing temperature range from 10 to 260 K catalytic turnover led to loss of Hhyd and appearance of H ox, consistent with enzymatic turnover and H 2 formation. The results show for CaI that the μ-CO of [2Fe] H remains bridging for all of the 'H red' states and that H redH + is on pathway to H hyd and H 2 evolution in the catalytic mechanism. Here, this provides a blueprint for designing small molecule catalytic analogs« less
CO-Bridged H-Cluster Intermediates in the Catalytic Mechanism of [FeFe]-Hydrogenase CaI.
Ratzloff, Michael W; Artz, Jacob H; Mulder, David W; Collins, Reuben T; Furtak, Thomas E; King, Paul W
2018-06-20
The [FeFe]-hydrogenases ([FeFe] H 2 ases) catalyze reversible H 2 activation at the H-cluster, which is composed of a [4Fe-4S] H subsite linked by a cysteine thiolate to a bridged, organometallic [2Fe-2S] ([2Fe] H ) subsite. Profoundly different geometric models of the H-cluster redox states that orchestrate the electron/proton transfer steps of H 2 bond activation have been proposed. We have examined this question in the [FeFe] H 2 ase I from Clostridium acetobutylicum (CaI) by Fourier-transform infrared (FTIR) spectroscopy with temperature annealing and H/D isotope exchange to identify the relevant redox states and define catalytic transitions. One-electron reduction of H ox led to formation of H red H + ([4Fe-4S] H 2+ -Fe I -Fe I ) and H red ' ([4Fe-4S] H 1+ -Fe II -Fe I ), with both states characterized by low frequency μ-CO IR modes consistent with a fully bridged [2Fe] H . Similar μ-CO IR modes were also identified for H red H + of the [FeFe] H 2 ase from Chlamydomonas reinhardtii (CrHydA1). The CaI proton-transfer variant C298S showed enrichment of an H/D isotope-sensitive μ-CO mode, a component of the hydride bound H-cluster IR signal, H hyd . Equilibrating CaI with increasing amounts of NaDT, and probed at cryogenic temperatures, showed H red H + was converted to H hyd . Over an increasing temperature range from 10 to 260 K catalytic turnover led to loss of H hyd and appearance of H ox , consistent with enzymatic turnover and H 2 formation. The results show for CaI that the μ-CO of [2Fe] H remains bridging for all of the "H red " states and that H red H + is on pathway to H hyd and H 2 evolution in the catalytic mechanism. These results provide a blueprint for designing small molecule catalytic analogs.
Belevich, Nikolai P; Bertsova, Yulia V; Verkhovskaya, Marina L; Baykov, Alexander A; Bogachev, Alexander V
2016-02-01
Bacterial Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) uses a unique set of prosthetic redox groups-two covalently bound FMN residues, a [2Fe-2S] cluster, FAD, riboflavin and a Cys4[Fe] center-to catalyze electron transfer from NADH to ubiquinone in a reaction coupled with Na(+) translocation across the membrane. Here we used an ultra-fast microfluidic stopped-flow instrument to determine rate constants and the difference spectra for the six consecutive reaction steps of Vibrio harveyi Na(+)-NQR reduction by NADH. The instrument, with a dead time of 0.25 ms and optical path length of 1 cm allowed collection of visible spectra in 50-μs intervals. By comparing the spectra of reaction steps with the spectra of known redox transitions of individual enzyme cofactors, we were able to identify the chemical nature of most intermediates and the sequence of electron transfer events. A previously unknown spectral transition was detected and assigned to the Cys4[Fe] center reduction. Electron transfer from the [2Fe-2S] cluster to the Cys4[Fe] center and all subsequent steps were markedly accelerated when Na(+) concentration was increased from 20 μM to 25 mM, suggesting coupling of the former step with tight Na(+) binding to or occlusion by the enzyme. An alternating access mechanism was proposed to explain electron transfer between subunits NqrF and NqrC. According to the proposed mechanism, the Cys4[Fe] center is alternatively exposed to either side of the membrane, allowing the [2Fe-2S] cluster of NqrF and the FMN residue of NqrC to alternatively approach the Cys4[Fe] center from different sides of the membrane. Copyright © 2015 Elsevier B.V. All rights reserved.
Iron isotope fractionation during microbially stimulated Fe(II) oxidation and Fe(III) precipitation
Balci, N.; Bullen, T.D.; Witte-Lien, K.; Shanks, Wayne C.; Motelica, M.; Mandernack, K.W.
2006-01-01
Interpretation of the origins of iron-bearing minerals preserved in modern and ancient rocks based on measured iron isotope ratios depends on our ability to distinguish between biological and non-biological iron isotope fractionation processes. In this study, we compared 56Fe/54Fe ratios of coexisting aqueous iron (Fe(II)aq, Fe(III)aq) and iron oxyhydroxide precipitates (Fe(III)ppt) resulting from the oxidation of ferrous iron under experimental conditions at low pH (<3). Experiments were carried out using both pure cultures of Acidothiobacillus ferrooxidans and sterile controls to assess possible biological overprinting of non-biological fractionation, and both SO42- and Cl- salts as Fe(II) sources to determine possible ionic/speciation effects that may be associated with oxidation/precipitation reactions. In addition, a series of ferric iron precipitation experiments were performed at pH ranging from 1.9 to 3.5 to determine if different precipitation rates cause differences in the isotopic composition of the iron oxyhydroxides. During microbially stimulated Fe(II) oxidation in both the sulfate and chloride systems, 56Fe/54Fe ratios of residual Fe(II)aq sampled in a time series evolved along an apparent Rayleigh trend characterized by a fractionation factor ??Fe(III)aq-Fe(II)aq???1.0022. This fractionation factor was significantly less than that measured in our sterile control experiments (???1.0034) and that predicted for isotopic equilibrium between Fe(II)aq and Fe(III)aq (???1.0029), and thus might be interpreted to reflect a biological isotope effect. However, in our biological experiments the measured difference in 56Fe/54Fe ratios between Fe(III)aq, isolated as a solid by the addition of NaOH to the final solution at each time point under N2-atmosphere, and Fe(II)aq was in most cases and on average close to 2.9??? (??Fe(III)aq-Fe(II)aq ???1.0029), consistent with isotopic equilibrium between Fe(II)aq and Fe(III)aq. The ferric iron precipitation experiments
NASA Astrophysics Data System (ADS)
Sui, Huiting; Yang, Changhong; Wang, Gaoyun; Feng, Chao
2014-07-01
For chemical solution decomposition process, the precursor solution is a basic factor affecting the quality of the deposited-film. In this paper, we choose (l00)-oriented 0.7[(Bi0.95Ce0.05)0.5Na0.5(Ti0.99Fe0.01)O3]-0.3BiFe0.97Mn0.03O3(0.7NBTCeFe-0.3BFOMn) thin films prepared by various precursor solutions for investigation. The roles of precursor solution modification on crystallinity, ferroelectric and dielectric properties are characterized. With the addition of polyethylene glycol into the solution, phase-pure perovskite structure can be obtained. Furthermore, when the volume ratio for the solvents (ethylene glycol to acetic acid) is modified as 2:1, enhanced ferroelectricity can be achieved with a remanent polarization (Pr) of 27.5 μC/cm2, which coincides well with the capacitance-voltage curve with relatively sharp feature. Also, the 0.7NBTCeFe-0.3BFOMn film exhibits a dielectric constant (ɛr) of 576 and dielectric loss (tan δ) of 0.123 at 100 kHz.
Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Xin; Wang, Yan; Wu, Di
2016-08-30
Na energy storage technology is strategically attractive for large scale applications such as grid energy storage. Here, we show in this paper that there is a clear relation between the Jahn$-$Teller activity of a transition metal ion at the end of charge and the mobility of Na in a cathode material. This is particularly important as mobility at the end of charge limits the capacity of current materials. Consequently, by using this classical piece of physics in the battery world, it is possible to create higher capacity Na-cathode materials. Even more exciting is that the ideal element to impart thismore » effect on cathodes is Fe, which is the least expensive of the transition metal oxides and can therefore enable low cost cathode materials.« less
Das, Raghunath; Bhaumik, Madhumita; Giri, Somnath; Maity, Arjun
2017-07-01
Nano-sized magnetic Fe 0 /polyaniline (Fe 0 /PANI) nanofibers were used as an effective material for sonocatalytic degradation of organic anionic Congo red (CR) dye. Fe 0 /PANI , was synthesized via reductive deposition of nano-Fe 0 onto the PANI nanofibers at room temperature. Prepared catalyst was characterized using HR-TEM, FE-SEM, XRD, FTIR instruments. The efficacy of catalyst in removing CR was assessed colorimetrically using UV-visible spectroscopy under different experimental conditions such as % of Fe 0 loading into the composite material, solution pH, initial concentration of dye, catalyst dosage, temperature and ultrasonic power. The optimum conditions for sonocatalytic degradation of CR were obtained at catalyst concentrations=500mg.L -1 , concentration of CR=200ppm, solution pH=neutral (7.0), temperature=30°C, % of Fe 0 loading=30% and 500W ultrasonic power. The experimental results showed that ultrasonic process could remove 98% of Congo red within 30min with higher Q max value (Q max =446.4 at 25°C). The rate of degradation of CR dye was much faster in this ultrasonic technique rather than conventional adsorption process. The degradation efficiency declined with the addition of common inorganic salts (NaCl, Na 2 CO 3 , Na 2 SO 4 and Na 3 PO 4 ). The rate of degradation suppressed more with increasing salt concentration. Kinetic and isotherm studies indicated that the degradation of CR provides pseudo-second order rate kinetic and Langmuir isotherm model compared to all other models tested. The excellent high degradation capacity of Fe 0 /PANI under ultrasonic irradiation can be explained on the basis of the formation of active hydroxyl radicals (OH) and subsequently a series of free radical reactions. Copyright © 2017 Elsevier B.V. All rights reserved.
Miao, Yuanxin; Soudy, Fathia; Xu, Zhong; Liao, Mingxing; Zhao, Shuhong; Li, Xinyun
2017-01-01
Feed efficiency (FE) is a very important trait in livestock industry. Identification of the candidate genes could be of benefit for the improvement of FE trait. Mouse is used as the model for many studies in mammals. In this study, the candidate genes related to FE and coat color were identified using C57BL/6J (C57) × Kunming (KM) F2 mouse population. GWAS results showed that 61 and 2 SNPs were genome-wise suggestive significantly associated with feed conversion ratio (FCR) and feed intake (FI) traits, respectively. Moreover, the Erbin, Msrb2, Ptf1a, and Fgf10 were considered as the candidate genes of FE. The Lpl was considered as the candidate gene of FI. Further, the coat color trait was studied. KM mice are white and C57 ones are black. The GWAS results showed that the most significant SNP was located at chromosome 7, and the closely linked gene was Tyr. Therefore, our study offered useful target genes related to FE in mice; these genes may play similar roles in FE of livestock. Also, we identified the major gene of coat color in mice, which would be useful for better understanding of natural mutation of the coat color in mice.
Culcu, Gursu; Iovan, Diana A; Krogman, Jeremy P; Wilding, Matthew J T; Bezpalko, Mark W; Foxman, Bruce M; Thomas, Christine M
2017-07-19
Heterometallic multiple bonds between niobium and other transition metals have not been reported to date, likely owing to the highly reactive nature of low-valent niobium centers. Herein, a C 3 -symmetric tris(phosphinoamide) ligand framework is used to construct a Nb/Fe heterobimetallic complex Cl-Nb( i PrNPPh 2 ) 3 Fe-Br (2), which features a Fe→Nb dative bond with a metal-metal distance of 2.4269(4) Å. Reduction of 2 in the presence of PMe 3 affords Nb( i PrNPPh 2 ) 3 Fe-PMe 3 (6), a compound with an unusual trigonal pyramidal geometry at a Nb III center, a Nb≡Fe triple bond, and the shortest bond distance (2.1446(8) Å) ever reported between Nb and any other transition metal. Complex 6 is thermally unstable and degrades via P-N bond cleavage to form a Nb V ═NR imide complex, i PrN═Nb( i PrNPPh 2 ) 3 Fe-PMe 3 (9). The heterobimetallic complexes i PrN═Nb( i PrNPPh 2 ) 3 Fe-Br (8) and 9 are independently synthesized, revealing that the strongly π-bonding imido functionality prevents significant metal-metal interactions. The 57 Fe Mössbauer spectra of 2, 6, 8, and 9 show a clear trend in isomer shift (δ), with a decrease in δ as metal-metal interactions become stronger and the Fe center is reduced. The electronic structure and metal-metal bonding of 2, 6, 8, and 9 are explored through computational studies, and cyclic voltammetry is used to better understand the effect of metal-metal interaction in early/late heterobimetallic complexes on the redox properties of the two metals involved.
9. "SANTA FE RAILWAY SPUR TO OPERATIONAL AREA, DIRECTORATE OF ...
9. "SANTA FE RAILWAY SPUR TO OPERATIONAL AREA, DIRECTORATE OF MISSILE CAPTIVE TEST, EDWARDS AFB"; Photo no. "11,381 57; G-AFFTC 18 SEPT 57". Test Area 1-115. Photo shows engine no. 712 pulling one car. The superstructure of Test Stand 1-4 is prominent in the background. - Edwards Air Force Base, Air Force Rocket Propulsion Laboratory, Leuhman Ridge near Highways 58 & 395, Boron, Kern County, CA
NASA Astrophysics Data System (ADS)
Kim, Jeehoon; Haberkorn, N.; Graf, M. J.; Usov, I.; Ronning, F.; Civale, L.; Nazaretski, E.; Chen, G. F.; Yu, W.; Thompson, J. D.; Movshovich, R.
2012-10-01
We report on the dramatic effect of random point defects, produced by proton irradiation, on the superfluid density ρs in superconducting Ca0.5Na0.5Fe2As2 single crystals. The magnitude of the suppression is inferred from measurements of the temperature-dependent magnetic penetration depth λ(T) using magnetic force microscopy. Our findings indicate that a radiation dose of 2×1016 cm-2 produced by 3 MeV protons results in a reduction of the superconducting critical temperature Tc by approximately 10%. In contrast, ρs(0) is suppressed by approximately 60%. This breakdown of the Abrikosov-Gorkov theory may be explained by the so-called “Swiss cheese model,” which accounts for the spatial suppression of the order parameter near point defects similar to holes in Swiss cheese. Both the slope of the upper critical field and the penetration depth λ(T/Tc)/λ(0) exhibit similar temperature dependences before and after irradiation. This may be due to a combination of the highly disordered nature of Ca0.5Na0.5Fe2As2 with large intraband and simultaneous interband scattering as well as the s±-wave nature of short coherence length superconductivity.
Line shape of 57Co sources exhibiting self absorption
NASA Astrophysics Data System (ADS)
Spiering, H.; Ksenofontov, V.; Leupold, O.; Kusz, J.; Deák, L.; Németh, Z.; Bogdán, C.; Bottyán, L.; Nagy, D. L.
2016-12-01
The effect of selfabsorption in Mössbauer sources is studied in detail. Spectra were measured using an old 57 C o/ R h source of 74 M B q activity with an original activity of ca. 3.7 G B q and a 0.15 G B q 57 C o/ α - F e source magnetized by an in-plane magnetic field of 0.2 T. The 57 C o/ α - F e source of a thickness of 25 μ was used both from the active and the inactive side giving cause to very different selfabsorption effects. The absorber was a single crystal of ferrous ammonium sulphate hexahydrate (FAS). Its absorption properties were taken over from a detailed study (Bull et al., Hyperfine Interact. 94(1-3), 1; Spiering et al. 2). FAS (space group P21/c) crystallizes as flat plates containing the (overline {2}01) plane. The γ-direction was orthogonal to the crystal plate. The 57 C o atoms of the 57 C o/ R h source were assumed to be homogeneously distributed over a 6 μ thick Rh foil and to follow a one dimensional diffusion profile in the 25 μ Fe-foil. The diffusion length was fitted to 10 μ. The theory follows the Blume-Kistner equations for forward scattering (Blume and Kistner, Phys. Rev. 171, 417, 3) by integrating over the source sampled up to 128 layers.
Light, alpha, and Fe-peak element abundances in the galactic bulge
DOE Office of Scientific and Technical Information (OSTI.GOV)
Johnson, Christian I.; Rich, R. Michael; Kobayashi, Chiaki
2014-10-01
We present radial velocities and chemical abundances of O, Na, Mg, Al, Si, Ca, Cr, Fe, Co, Ni, and Cu for a sample of 156 red giant branch stars in two Galactic bulge fields centered near (l, b) = (+5.25,–3.02) and (0,–12). The (+5.25,–3.02) field also includes observations of the bulge globular cluster NGC 6553. The results are based on high-resolution (R ∼ 20,000), high signal-to-noise ration (S/N ≳ 70) FLAMES-GIRAFFE spectra obtained through the European Southern Observatory archive. However, we only selected a subset of the original observations that included spectra with both high S/N and that did notmore » show strong TiO absorption bands. This work extends previous analyses of this data set beyond Fe and the α-elements Mg, Si, Ca, and Ti. While we find reasonable agreement with past work, the data presented here indicate that the bulge may exhibit a different chemical composition than the local thick disk, especially at [Fe/H] ≳ –0.5. In particular, the bulge [α/Fe] ratios may remain enhanced to a slightly higher [Fe/H] than the thick disk, and the Fe-peak elements Co, Ni, and Cu appear enhanced compared to the disk. There is also some evidence that the [Na/Fe] (but not [Al/Fe]) trends between the bulge and local disk may be different at low and high metallicity. We also find that the velocity dispersion decreases as a function of increasing [Fe/H] for both fields, and do not detect any significant cold, high-velocity populations. A comparison with chemical enrichment models indicates that a significant fraction of hypernovae may be required to explain the bulge abundance trends, and that initial mass functions that are steep, top-heavy (and do not include strong outflow), or truncated to avoid including contributions from stars >40 M {sub ☉} are ruled out, in particular because of disagreement with the Fe-peak abundance data. For most elements, the NGC 6553 stars exhibit abundance trends nearly identical to comparable metallicity bulge
NASA Astrophysics Data System (ADS)
Zhou, Yunhua; Zhang, Ren; Fan, Yingfang; Wang, Zhongchao; Mao, Weiwei; Zhang, Jian; Min, Yonggang; Yang, Jiangping; Pu, Yong; Li, Xing'ao
2018-02-01
The magnetic, electric and optical properties of BiFe0.875Cr0.125O3 (BFCO) doped with aliovalent ions (Na+, Mg2+) and isovalent ion (Al3+) are investigated by the first principle spin-polarized density functional theory calculations. It is demonstrated that the substitution of M (M = Na+, Mg2+, Al3+) for Fe can produce net magnetic moments of 3.0, 2.0 and 3.0 μB, respectively. Besides, Na+ doped BFCO exhibits metallicity while Mg2+ doped system behaves as half-metallicity. Systematic study of electronic structures show that this conversion from semiconductor (BFCO) to half-metal or metal is mainly attributed to the shifting of O 2p, Bi 6s, and Cr 3d states induced by doping with aliovalent Na+ or Mg2+. Furthermore, the aliovalent ions doped samples express high static dielectric constants of 12.08, 29.44, large refractive indexs of 5.41, 3.46 and both their absorption edges near zero, suggesting advanced optical response in visible region of the doped samples.
Disentangling superconducting and magnetic orders in NaFe1 -xNixAs using muon spin rotation
NASA Astrophysics Data System (ADS)
Cheung, Sky C.; Guguchia, Zurab; Frandsen, Benjamin A.; Gong, Zizhou; Yamakawa, Kohtaro; Almeida, Dalson E.; Onuorah, Ifeanyi J.; Bonfá, Pietro; Miranda, Eduardo; Wang, Weiyi; Tam, David W.; Song, Yu; Cao, Chongde; Cai, Yipeng; Hallas, Alannah M.; Wilson, Murray N.; Munsie, Timothy J. S.; Luke, Graeme; Chen, Bijuan; Dai, Guangyang; Jin, Changqing; Guo, Shengli; Ning, Fanlong; Fernandes, Rafael M.; De Renzi, Roberto; Dai, Pengcheng; Uemura, Yasutomo J.
2018-06-01
Muon spin rotation and relaxation studies have been performed on a "111" family of iron-based superconductors, NaFe1 -xNixAs , using single crystalline samples with Ni concentrations x =0 , 0.4, 0.6, 1.0, 1.3, and 1.5%. Static magnetic order was characterized by obtaining the temperature and doping dependences of the local ordered magnetic moment size and the volume fraction of the magnetically ordered regions. For x =0 and 0.4%, a transition to a nearly-homogeneous long range magnetically ordered state is observed, while for x ≳0.4 % magnetic order becomes more disordered and is completely suppressed for x =1.5 % . The magnetic volume fraction continuously decreases with increasing x . Development of superconductivity in the full volume is inferred from Meissner shielding results for x ≳0.4 % . The combination of magnetic and superconducting volumes implies that a spatially-overlapping coexistence of magnetism and superconductivity spans a large region of the T -x phase diagram for NaFe1 -xNixAs . A strong reduction of both the ordered moment size and the volume fraction is observed below the superconducting TC for x =0.6 , 1.0, and 1.3%, in contrast to other iron pnictides in which one of these two parameters exhibits a reduction below TC, but not both. The suppression of magnetic order is further enhanced with increased Ni doping, leading to a reentrant nonmagnetic state below TC for x =1.3 % . The reentrant behavior indicates an interplay between antiferromagnetism and superconductivity involving competition for the same electrons. These observations are consistent with the sign-changing s± superconducting state, which is expected to appear on the verge of microscopic coexistence and phase separation with magnetism. We also present a universal linear relationship between the local ordered moment size and the antiferromagnetic ordering temperature TN across a variety of iron-based superconductors. We argue that this linear relationship is consistent with an
Frost, Ray L; Xi, Yunfei; Scholz, Ricardo; López, Andrés; Moreira, Caio; de Lena, Jorge Carvalho
2013-10-01
The pegmatite mineral qingheiite Na2(Mn(2+),Mg,Fe(2+))2(Al,Fe(3+))(PO4)3 has been studied by a combination of SEM and EMP, Raman and infrared spectroscopy. The studied sample was collected from the Santa Ana pegmatite, Argentina. The mineral occurs as a primary mineral in lithium bearing pegmatite, in association with beausite and lithiophilite. The Raman spectrum is characterized by a very sharp intense Raman band at 980 cm(-1) assigned to the PO4(3-) symmetric stretching mode. Multiple Raman bands are observed in the PO4(3-) antisymmetric stretching region, providing evidence for the existence of more than one phosphate unit in the structure of qingheiite and evidence for the reduction in symmetry of the phosphate units. This concept is affirmed by the number of bands in the ν4 and ν2 bending regions. No intensity was observed in the OH stretching region in the Raman spectrum but significant intensity is found in the infrared spectrum. Infrared bands are observed at 2917, 3195, 3414 and 3498 cm(-1) are assigned to water stretching vibrations. It is suggested that some water is coordinating the metal cations in the structure of qingheiite. Copyright © 2013 Elsevier B.V. All rights reserved.
The puzzling interpretation of NIR indices: The case of NaI2.21
NASA Astrophysics Data System (ADS)
Röck, B.; Vazdekis, A.; La Barbera, F.; Peletier, R. F.; Knapen, J. H.; Allende-Prieto, C.; Aguado, D. S.
2017-11-01
We present a detailed study of the Na I line strength index centred in the K band at 22 100 Å (NaI2.21 hereafter) relying on different samples of early-type galaxies. Consistent with previous studies, we find that the observed line strength indices cannot be fit by state-of-the-art scaled-solar stellar population models, even using our newly developed models in the near infrared (NIR). The models clearly underestimate the large NaI2.21 values measured for most early-type galaxies. However, we develop an Na-enhanced version of our newly developed models in the NIR, which - together with the effect of a bottom-heavy initial mass function - yield NaI2.21 indices in the range of the observations. Therefore, we suggest a scenario in which the combined effect of [Na/Fe] enhancement and a bottom-heavy initial mass function are mainly responsible for the large NaI2.21 indices observed for most early-type galaxies. To a smaller extent, also [C/Fe] enhancement might contribute to the large observed NaI2.21 values.
Na/beta-alumina/NaAlCl4, Cl2/C circulating cell
NASA Technical Reports Server (NTRS)
Cherng, Jing-Yih; Bennion, Douglas N.
1987-01-01
A study was made of a high specific energy battery based on a sodium negative electrode and a chlorine positive electrode with molten AlCl3-NaCl electrolyte and a solid beta alumina separator. The basic performance of a Na beta-alumina NaAlCl4, Cl2/C circulating cell at 200 C was demonstrated. This cell can be started at 150 C. The use of melting sodium chloroaluminate electrolyte overcomes some of the material problems associated with the high working temperatures of present molten salt systems, such as Na/S and LiAl/FeS, and retains the advantages of high energy density and relatively efficient electrode processes. Preliminary investigations were conducted on a sodium-chlorine static cell, material compability, electrode design, wetting, and theoretical calculations to assure a better chance of success before assembling a Na/Cl2 circulating cell. Mathematical models provide a theoretical explanation for the performance of the NaCl2 battery. The results of mathematical models match the experimental results very well. According to the result of the mathematical modeling, an output at 180 mA/sq cm and 3.2 V can be obtained with optimized cell design.
The enhancement in dielectric and magnetic property in Na and Mn co substituted lanthanum ferrite
NASA Astrophysics Data System (ADS)
Rai, Atma; Thakur, Awalendra K.
2016-05-01
Nanocrystalline solid solutions of La1-xNaxFe1-yMnyO3 (x=y=0.00 and 0.25) were prepared via modified Pechini route. No evidence of secondary or impurity phase has been detected up to the detection of error limit of high power X-ray diffractometer. Dielectric property of the samples has been investigated in the frequency range 100 Hz-4MHz at temperature ranging 300-450K. The value of relative permittivity (ɛr) increases drastically and shows colossal dielectric response (˜104) by cosubstitution of Na and Mn as compared to pure LaFeO3. Dielectric relaxation peak in loss tangent in both samples have been found and shift towards higher frequency region as temperature increases. Magnetization-Field (M-H) loop of the calcined sample have been recorded at room temperature (300K) at field ±60kOe. Magnetic property also enhanced by co substitution of Na and Mn. The change in Fe/Mn-O-Fe/Mn angle by co-substitution of Na and Mn in LaFeO3 and indirect exchange interaction between two different magnetic sub lattices Fe and Mn might be responsible for drastic change. Saturation/maximum magnetic moment increase ˜four times in LNFM25 (5.335emu/g) as compared to pure LaFeO3 (1.302emu/g).
Zeolite Y encapsulated with Fe-TiO2 for ultrasound-assisted degradation of amaranth dye in water.
Alwash, Atheel Hassan; Abdullah, Ahmad Zuhairi; Ismail, Norli
2012-09-30
A new heterogeneous catalyst for sonocatalytic degradation of amaranth dye in water was synthesized by introducing titania into the pores of zeolite (NaY) through ion exchange method while Fe (III) was immobilized on the encapsulated titanium via impregnation method. XRD results could not detect any peaks for titanium oxide or Fe(2)O(3) due to its low loading. The UV-vis analysis proved a blue shift toward shorter wavelength after the loading of Ti into NaY while a red shift was detected after the loading of Fe into the encapsulated titanium. Different reaction variables such as TiO(2) content, amount of Fe, pH values, amount of hydrogen peroxide, catalyst loading and the initial dye concentration were studied to estimate their effect on the decolorization efficiency of amaranth. The maximum decolorization efficiency achieved was 97.5% at a solution pH of 2.5, catalyst dosage of 2 g/L, 20 mmol/100 mL of H(2)O(2) and initial dye concentration of 10 mg/L. The new heterogeneous catalyst Fe/Ti-NaY was a promising catalyst for this reaction and showed minimum Fe leaching at the end of the reaction. Copyright © 2012 Elsevier B.V. All rights reserved.
Magnetism of the 35 K superconductor CsEuFe4As4
NASA Astrophysics Data System (ADS)
Albedah, Mohammed A.; Nejadsattari, Farshad; Stadnik, Zbigniew M.; Liu, Yi; Cao, Guang-Han
2018-04-01
The results of ab initio hyperfine-interaction parameters calculations, and of x-ray diffraction and 57Fe and 151Eu Mössbauer spectroscopy study of the new 35 K superconductor CsEuFe4As4 are reported. The superconductor crystallizes in the tetragonal space group P4/mmm with the lattice parameters a = 3.8956(1) Å and c = 13.6628(5) Å. It is demonstrated unequivocally that there is no magnetic order of the Fe magnetic moments down to 2.1 K and that the ferromagnetic order is associated with the Eu magnetic moments. The Curie temperature TC = 15.97(8) K determined from the temperature dependence of the hyperfine magnetic field at 151Eu nuclei is shown to be compatible with the temperature dependence of the transferred hyperfine magnetic field at 57Fe nuclei that is induced by the ferromagnetically ordered Eu sublattice. The Eu magnetic moments are shown to be perpendicular to the crystallographic c-axis. The temperature dependence of the principal component of the electric field gradient tensor, both at Fe and Eu sites, is well described by a T 3/2 power-law relation. Good agreement between the calculated and measured hyperfine-interaction parameters is observed. The Debye temperature of CsEuFe4As4 is found to be 295(3) K.
Thermometric studies on the Fe(III)-EDTA chelate.
Dot, K
1978-02-01
A DeltaH of -11.5 +/- 0.5 kJ/mole has been determined for the formation of the Fe(III)-EDTA chelate at 25.0 degrees and mu = 0.1(= [HClO(4)] + [NaClO(4)]) by a direct thermometric titration procedure. The entropy change, DeltaS, has been calculated to be 440 J.mole(-1) .deg(-1) by combining the result of the heat measurements with the free energy change obtained from the stability constant previously determined. A relationship between the DeltaS values and the standard partial molal entropies of the tervalent metal ions is discussed. In addition, conditions for the thermometric titration of Fe(III) with NA(4)EDTA at room temperature have been investigated. Iron(III) can be determined in the presence of fairly large amounts of phosphate, Cr(III), Mn(II) and Al(III).
Tsou, Chih-Chin; Lin, Zong-Sian; Lu, Tsai-Te; Liaw, Wen-Feng
2008-12-17
Transformation of dinitrosyl iron complexes (DNICs) [(NO)(2)Fe(SR)(2)](-) (R = Et, Ph) into [4Fe-4S] clusters [Fe(4)S(4)(SPh)(4)](2-) in the presence of [Fe(SPh)(4)](2-/1-) and S-donor species S(8) via the reassembling process ([(NO)(2)Fe(SR)(2)](-) --> [Fe(4)S(3)(NO)(7)](-) (1)/[Fe(4)S(3)(NO)(7)](2-) (2) --> [Fe(4)S(4)(NO)(4)](2-) (3) --> [Fe(4)S(4)(SPh)(4)](2-) (5)) was demonstrated. Reaction of [(NO)(2)Fe(SR)(2)](-) (R = Et, Ph) with S(8) in THF, followed by the addition of HBF(4) into the mixture solution, yielded complex [Fe(4)S(3)(NO)(7)](-) (1). Complex [Fe(4)S(3)(NO)(7)](2-) (2), obtained from reduction of complex 1 by [Na][biphenyl], was converted into complex [Fe(4)S(4)(NO)(4)](2-) (3) along with byproduct [(NO)(2)Fe(SR)(2)](-) via the proposed [Fe(4)S(3)(SPh)(NO)(4)](2-) intermediate upon treating complex 2 with 1.5 equiv of [Fe(SPh)(4)](2-) and the subsequent addition of 1/8 equiv of S(8) in CH(3)CN at ambient temperature. Complex 3 was characterized by IR, UV-vis, and single-crystal X-ray diffraction. Upon addition of complex 3 to the CH(3)CN solution of [Fe(SPh)(4)](-) in a 1:2 molar ratio at ambient temperature, the rapid NO radical-thiyl radical exchange reaction between complex 3 and the biomimetic oxidized form of rubredoxin [Fe(SPh)(4)](-) occurred, leading to the simultaneous formation of [4Fe-4S] cluster [Fe(4)S(4)(SPh)(4)](2-) (5) and DNIC [(NO)(2)Fe(SPh)(2)](-). This result demonstrates a successful biomimetic reassembly of [4Fe-4S] cluster [Fe(4)S(4)(SPh)(4)](2-) from NO-modified [Fe-S] clusters, relevant to the repair of DNICs derived from nitrosylation of [4Fe-4S] clusters of endonuclease III back to [4Fe-4S] clusters upon addition of ferrous ion, cysteine, and IscS.
Local structures in mixed Li{sub x}Fe{sub 1−y}M{sub y}PO{sub 4} (M=Co, Ni) electrode materials
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jalkanen, K.; Lindén, J.; Karppinen, M., E-mail: maarit.karppinen@aalto.fi
We employ {sup 57}Fe Mössbauer spectroscopy as a local tool to probe electrical environments of Fe{sup 2+} and Fe{sup 3+} at different lithiation (x) and cation-substitution (y) levels in Li{sub x}Fe{sub 1−y}M{sub y}PO{sub 4}/C (M=Co, Ni) Li-ion battery electrode materials. Upon delithiation the local environment of Fe{sup 3+} remains unaffected for the parent y=0 system due to the LiFePO{sub 4}/FePO{sub 4} phase separation, whereas for y>0 changes in the electrical environment are seen for Fe{sup 3+}. When the Fe{sup 2+}/Fe{sup 3+} redox couple is partially-delithiated, a decreasing quadrupole splitting value is observed for Fe{sup 3+} with increasing y, implying amore » more symmetric electrical environment. The increasing concentration of the Co{sup 2+}/Ni{sup 2+} substituent introduces increasing amounts of Li atoms in the Fe{sup 3+}-containing phase, and these nearest-neighbor Li atoms are suspected to cause the changes seen in the local environment of Fe{sup 3+}. - Graphical abstract: Local environment of iron in Li{sub x}Fe{sub 1−y}(Co/Ni){sub y}PO{sub 4} is studied by {sup 57}Fe Mössbauer spectroscopy at different lithiation (x) and cation-substitution (y) levels. - Highlights: • Local Fe environment in Li{sub x}Fe{sub 1−y}(Co/Ni){sub y}PO{sub 4} is studied by {sup 57}Fe Mössbauer spectroscopy. • Co/Ni-for-Fe substitution results in a more symmetric electrical environment for Fe{sup 3+}. • Due to presence of Co{sup 2+}/Ni{sup 2+}, Li atoms are introduced into the Fe{sup 3+}-containing phase. • These nearest-neighbor Li atoms are suggested to change the local Fe{sup 3+} environment.« less
The effects of different heat treatment annealing on structural properties of LaFe11.5Si1.5 compound
NASA Astrophysics Data System (ADS)
Norizan, Yang Nurhidayah Asnida; Din, Muhammad Faiz Md; Zamri, Wan Fathul Hakim W.; Hashim, Fakroul Ridzuan; Jusoh, Mohd Taufik; Rahman, Mohd Rashid Abdul
2018-02-01
The cubic NaZn13-type LaFe13-xSix based compounds have been studied systematically and has become one of the most interesting systems for exploring large MCE. Its magnetic properties are strongly doping dependent and provides many of advantage compare to other as magnetic materials for magnetic refrigerator application. In other to produce high quality of cubic NaZn13-type structure, the structural properties of LaFe11.5Si1.5 compounds annealed at different temperature have been investigated. The LaFe11.5Si1.5 compounds was prepared by arc melting and annealed at two different heat treatment which are 1323 K for 14 days and 1523 K for 4 hour. The powder X-ray diffraction (XRD) shows that a short time and high temperature annealing process has benefits for the formation of the NaZn13-type phase compared to a long time and low temperature annealing process. This is shown by the weight fraction of cubic NaZn13- type structure increases from 80% for low temperature annealing to 83% for high temperature annealing. At the same time, high temperature annealing increase the main structure and decrease the impurity (α-Fe and LaFeSi). Furthermore, it can be clearly seen in the Rietveld refinement results that the lattice parameter is increase at the high temperature annealing because of more cubic NaZn13 is formed at higher temperature.
Recycling of Oceanic Lithosphere: Water, fO2 and Fe-isotope Constraints
NASA Technical Reports Server (NTRS)
Bizmis, M.; Peslier, A. H.; McCammon, C. A.; Keshav, S.; Williams, H. M.
2014-01-01
Spinel peridotite and garnet pyroxenite xenoliths from Hawaii provide important clues about the composition of the oceanic lithosphere, and can be used to assess its contribution to mantle heterogeneity upon recycling. The peridotites have lower bulk H2O (approximately 70-114 ppm) than the MORB source, qualitatively consistent with melt depletion. The garnet pyroxenites (high pressure cumulates) have higher H2O (200-460 ppm, up to 550 ppm accounting for phlogopite) and low H2O/Ce ratios (less than 100). The peridotites have relatively light Fe-isotopes (delta Fe -57 = -0.34 to 0.13) that decrease with increasing depletion, while the pyroxenites are significantly heavier (delta Fe-57 up to 0.3). The observed xenolith, as well as MORB and OIB total Fe-isotope variability is larger that can be explained by existing melting models. The high H2O and low H2O/Ce ratios of pyroxenites are similar to estimates of EM-type OIB sources, while their heavy delta Fe-57 are similar to some Society and Cook-Austral basalts. Therefore, recycling of mineralogically enriched oceanic lithosphere (i.e. pyroxenites) may contribute to OIB sources and mantle heterogeneity. The Fe(3+)/Sigma? systematics of these xenoliths also suggest that there might be lateral redox gradients within the lithosphere, between juxtaposed oxidized spinel peridotites (deltaFMQ = -0.7 to 1.6, at 15 kb) and more reduced pyroxenites (deltaFMQ = -2 to -0.4, at 20-25kb). Such mineralogically and compositionally imposed fO2 gradients may generate local redox melting due to changes in fluid speciation (e.g. reduced fluids from pyroxenite encountering more oxidized peridotite). Formation of such incipient, small degree melts could further contribute to metasomatic features seen in peridotites, mantle heterogeneity, as well as the low velocity and high electrical conductivity structures near the base of the lithosphere and upper mantle.
Characterization of Fe-leonardite complexes as novel natural iron fertilizers.
Kovács, Krisztina; Czech, Viktória; Fodor, Ferenc; Solti, Adam; Lucena, Juan J; Santos-Rosell, Sheila; Hernández-Apaolaza, Lourdes
2013-12-18
Water-soluble humic substances (denoted by LN) extracted at alkaline pH from leonardite are proposed to be used as complexing agents to overcome micronutrient deficiencies in plants such as iron chlorosis. LN presents oxidized functional groups that can bind Fe(2+) and Fe(3+). The knowledge of the environment of Fe in the Fe-LN complexes is a key point in the studies on their efficacy as Fe fertilizers. The aim of this work was to study the Fe(2+)/Fe(3+) species formed in Fe-LN complexes with (57)Fe Mössbauer spectroscopy under different experimental conditions in relation to the Fe-complexing capacities, chemical characteristics, and efficiency to provide iron in hydroponics. A high oxidation rate of Fe(2+) to Fe(3+) was found when samples were prepared with Fe(2+), although no well-crystalline magnetically ordered ferric oxide formation could be observed in slightly acidic or neutral media. It seems to be the case that the formation of Fe(3+)-LN compounds is favored over Fe(2+)-LN compounds, although at acidic pH no complex formation between Fe(3+) and LN occurred. The Fe(2+)/Fe(3+) speciation provided by the Mössbauer data showed that Fe(2+)-LN could be efficient in hydroponics while Fe(3+)-LN is suggested to be used more effectively under calcareous soil conditions. However, according to the biological assay, Fe(3+)-LN proved to be effective as a chlorosis corrector applied to iron-deficient cucumber in nutrient solution.
SrFe 12O 19 prepared by the proteic sol-gel process
NASA Astrophysics Data System (ADS)
Brito, P. C. A.; Gomes, R. F.; Duque, J. G. S.; Macêdo, M. A.
2006-10-01
Powders of strontium hexaferrite (SrFe 12O 19) were prepared by the proteic sol-gel process using coconut water as a precursor. X-ray diffraction (XRD) measurement showed the formation of SrFe 12O 19 with a small amount of the hematite for the sample calcined at 1000 °C with Fe/Sr=12. Rietveld refinement disclosed that this sample had 87.56% of the SrFe 12O 19 and 12.44% of Fe 2O 3 and the values for Rp, Rwp and χ2 were 4.28%, 5.93% and 1.71, respectively. The magnetic properties were Ms=64 emu/g, Mr/ Ms=0.55 and Hc=1.4 kOe for a crystallite size of 57 nm.
NASA Astrophysics Data System (ADS)
Gabbasov, Raul; Polikarpov, Dmitry; Cherepanov, Valery; Chuev, Michael; Mischenko, Ilya; Loginiva, Nadezhda; Loseva, Elena; Nikitin, Maxim; Panchenko, Vladislav
2017-04-01
Iron clearance pathways after the injection of 57Fe3O4-based dextran-stabilized ferrofluid into the brain ventricles were studied by Mössbauer spectroscopy and histologically. The nanoparticles appeared in spleen tissues within 3 h after transcranial injection. We separated and independently estimated concentrations of iron encapsulated in nanoparticles and iron encapsulated in proteins in the all rat organs. It was found that the dextran coated initial nanoparticles of the ferrofluid disintegrated in the brain into separate superparamagnetic nanoparticles within a week after the injection.The nanoparticles completely exited from the brain in a few weeks. The exogenous iron appeared in the spleen in 3 h after the injection and remained in the spleen for more than month. The appearance of additional component in Mössbauer spectra of spleen samples revealed a fundamental difference in the mechanisms of processing of iron nanoparticles in this organ, which was also confirmed by histological examination.
New manufacturing method for Fe-Si magnetic powders using modified pack-cementation process
NASA Astrophysics Data System (ADS)
Byun, Ji Young; Kim, Jang Won; Han, Jeong Whan; Jang, Pyungwoo
2013-03-01
This paper describes a new method for making Fe-Si magnetic powders using a pack-cementation process. It was found that Fe-Si alloy powders were formed by a reaction of the pack mixture of Fe, Si, NaF, and Al2O3 powders at 900 °C for 24 h under a hydrogen atmosphere. Separation of the Fe-Si alloy powders was dependent on the particle size of the Fe powders in the pack. For small Fe powders, magnetic separation in a medium of strong alkali solution was recommended. But, for relatively larger Fe powders, the Fe-Si alloy powders were easily separated from Al2O3 powders using a magnet in air atmosphere. The Si content in the Fe-Si magnetic powders were easily controlled by changing the weight ratio of Si to (Si+Fe) in the pack.
Zhang, Wen-Qiang; Shan, Bao-Qing; Zhang, Hong; Tang, Wen-Zhong
2014-01-01
Optimization and mechanism of NaOH-EDTA extraction solutions were studied in phosphorus (P) pollution river sediments, which were Fe, Al-rich sediment, by solution 31P nuclear magnetic resonance spectroscopy (31P-NMR). Different proportions of NaOH and EDTA showed different extraction efficiency on total P (TP) and organic P (Po) in the sediment. The concentration of Po in NaOH + EDTA extract was higher than that in NaOH extract. The mechanism was that the TP and Po were released under the conditions of EDTA chelating with Fe and Al. The concentration of TP and Po were the highest in 1.00 mol x L(-1) NaOH +75 mmol x L(-1) EDTA extract and 0.25 mol x L(-1) NaOH + 50 mmol x L(-1) EDTA extract, which were 3.88 mg x g(-1) and 0.24 mg x g(-1), respectively. The extractions of Fe, Mn, Ca, Mg, Al were increasing as the EDTA increased under the same NaOH concentration. Extraction efficiency of Fe, Mn, Ca showed negative correlation with the pH of the extracting solution (P < 0.01). Exponential relationship was found between the extraction of Al and the pH of the extraction solution (P < 0.01) because of the AlO2- and EDTA-Al complex. The quality of spectra of NaOH-EDTA extract was better than that of NaOH extract. Six P species were detected in different extractions, including phosphonates, orthophosphate, pyrophosphate, orthophosphate monoesters, phospholipids and deoxyribonucleic acids. Therefore, 0. 25 mol x L(-1) NaOH + 50 mmol x L(-1) EDTA was the optimization extraction solution for Po analysis in Fe and Al-rich river sediment by 31P-NMR.
Concentration dependence of Li+/Na+ diffusion in manganese hexacyanoferrates
NASA Astrophysics Data System (ADS)
Takachi, Masamitsu; Fukuzumi, Yuya; Moritomo, Yutaka
2016-06-01
Manganese hexacyanoferrates (Mn-HCFs) with a jungle-gym-type structure are promising cathode materials for Li+/Na+ secondary batteries (LIBs/SIBs). Here, we investigated the diffusion constants D Li/D Na of Li+/Na+ against the Li+/Na+ concentration x Na/x Li and temperature (T) of A 1.32Mn[Fe(CN)6]0.833.6H2O (A = Li and Na). We evaluated the activation energy E\\text{a}\\text{Li}/E\\text{a}\\text{Na} of D Li/D Na against x Na/x Li. We found that E\\text{a}\\text{Na} steeply increases with x Na from 0.41 eV at x Na = 0.69 to 0.7 eV at 1.1. The increase in E\\text{a}\\text{Na} is ascribed to the occupancy effect of the Na+ site. The increase in E\\text{a}\\text{Li} is suppressed, probably because the number of Li+ sites is three times that of Na+ sites.
Level density and mechanism of deuteron-induced reactions on Fe 54 , 56 , 58
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ramirez, A. P. D.; Voinov, A. V.; Grimes, S. M.
Here, deuteron elastic cross sections, as well as neutron, proton, and α-particle emission spectra, from d+ 54,56,58Fe reactions have been measured with deuteron beam energies of 5, 7, and 9 MeV. Optical model parameters have been tested against our experimental data. The fraction of total reaction cross section responsible for the formation of compound nuclei has been deduced from the angular distributions. The degree of discrepancy between calculated and experimental compound cross sections was found to increase with increasing neutron number. The nuclear level densities of the residual nuclei 55Co, 57Co, 55Fe, 57Fe, 52Mn, and 54Mn have been deduced frommore » the compound double differential cross sections. The Gilbert-Cameron model with Iljinov parameter systematics [A. S. Iljinov and M. V. Mebel, Nucl. Phys. A 543, 517 (1992)] was found to have a good agreement with our results.« less
Level density and mechanism of deuteron-induced reactions on Fe 54 , 56 , 58
Ramirez, A. P. D.; Voinov, A. V.; Grimes, S. M.; ...
2015-07-06
Here, deuteron elastic cross sections, as well as neutron, proton, and α-particle emission spectra, from d+ 54,56,58Fe reactions have been measured with deuteron beam energies of 5, 7, and 9 MeV. Optical model parameters have been tested against our experimental data. The fraction of total reaction cross section responsible for the formation of compound nuclei has been deduced from the angular distributions. The degree of discrepancy between calculated and experimental compound cross sections was found to increase with increasing neutron number. The nuclear level densities of the residual nuclei 55Co, 57Co, 55Fe, 57Fe, 52Mn, and 54Mn have been deduced frommore » the compound double differential cross sections. The Gilbert-Cameron model with Iljinov parameter systematics [A. S. Iljinov and M. V. Mebel, Nucl. Phys. A 543, 517 (1992)] was found to have a good agreement with our results.« less
Novel mutations in IBA57 are associated with leukodystrophy and variable clinical phenotypes.
Torraco, Alessandra; Ardissone, Anna; Invernizzi, Federica; Rizza, Teresa; Fiermonte, Giuseppe; Niceta, Marcello; Zanetti, Nadia; Martinelli, Diego; Vozza, Angelo; Verrigni, Daniela; Di Nottia, Michela; Lamantea, Eleonora; Diodato, Daria; Tartaglia, Marco; Dionisi-Vici, Carlo; Moroni, Isabella; Farina, Laura; Bertini, Enrico; Ghezzi, Daniele; Carrozzo, Rosalba
2017-01-01
Defects of the Fe/S cluster biosynthesis represent a subgroup of diseases affecting the mitochondrial energy metabolism. In the last years, mutations in four genes (NFU1, BOLA3, ISCA2 and IBA57) have been related to a new group of multiple mitochondrial dysfunction syndromes characterized by lactic acidosis, hyperglycinemia, multiple defects of the respiratory chain complexes, and impairment of four lipoic acid-dependent enzymes: α-ketoglutarate dehydrogenase complex, pyruvic dehydrogenase, branched-chain α-keto acid dehydrogenase complex and the H protein of the glycine cleavage system. Few patients have been reported with mutations in IBA57 and with variable clinical phenotype. Herein, we describe four unrelated patients carrying novel mutations in IBA57. All patients presented with combined or isolated defect of complex I and II. Clinical features varied widely, ranging from fatal infantile onset of the disease to acute and severe psychomotor regression after the first year of life. Brain MRI was characterized by cavitating leukodystrophy. The identified mutations were never reported previously and all had a dramatic effect on IBA57 stability. Our study contributes to expand the array of the genotypic variation of IBA57 and delineates the leukodystrophic pattern of IBA57 deficient patients.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Das, Anusree; Chatterjee, Souvik; Das, Dipankar, E-mail: ddas@alpha.iuc.res.in
2016-06-21
Nanocomposites (NCs) comprising (1−x) BiFeO{sub 3} (BFO) and x SrFe{sub 12}O{sub 19} (SRF) (x = 0.1, 0.2, 0.3, and 0.4) have been prepared by a sol-gel route. Presence of pure phases of both BiFeO{sub 3} (BFO) and SrFe{sub 12}O{sub 19} (SRF) in the NCs for x = 0.3 and 0.4 has been confirmed by Rietveld analysis of XRD data though a minor impurity phase is observed in the case of x = 0.1 and 0.2 NCs. Transmission electron micrographs of the NCs show that particles are mostly spherical with average size of 30 nm. M-H measurements at 300 and 10 K indicate predominantly ferrimagnetic behavior of all themore » NCs with an increasing trend of saturation magnetization values with increasing content of SRF. Dielectric constant (ε{sub r}) of the NCs at room temperature shows a dispersive behavior with frequency and attains a constant value at higher frequency. ε{sub r} − T measurements reveal an increasing trend of dielectric constant of the NCs with increasing temperature and show an anomaly around the antiferromagnetic transition temperature of BFO, which indicates magnetoelectric coupling in the NCs. The variation of capacitance in the presence of magnetic field confirms the enhancement of magnetoelectric effect in the NCs. {sup 57}Fe Mössbauer spectroscopy results indicate the presence of only Fe{sup 3+} ions in usual crystallographic sites of BFO and SRF.« less
Chavasit, Visith; Porasuphatana, Suparat; Suthutvoravut, Umaporn; Zeder, Christroph; Hurrell, Richard
2015-12-01
A quick-cooking rice, produced from broken rice, is a convenient ingredient for complementary foods in Thailand. The rice is fortified with micronutrients including iron during the processing procedure, which can cause unacceptable sensory changes. A quick-cooking rice fortified with ferric ammonium citrate (FAC) or a mixture of ferrous sulphate (FeSO4 ) and ferric sodium ethylenediaminetetraacetic acid (NaFeEDTA), with a 2:1 molar ratio of iron from FeSO4 : iron from NaFeEDTA (FeSO4 + NaFeEDTA), gave a product that was organoleptically acceptable. The study compared iron absorption by infants and young children fed with micronutrient-fortified quick-cooking rice containing the test iron compounds or FeSO4 . Micronutrient-fortified quick-cooking rice prepared as a traditional Thai dessert was fed to two groups of 15 8-24-month healthy Thai children. The iron fortificants were isotopically labelled with (57) Fe for the reference FeSO4 or (58) Fe for the tested fortificants, and iron absorption was quantified based on erythrocyte incorporation of the iron isotopes 14 days after feeding. The relative bioavailability of FAC and of the FeSO4 + NaFeEDTA was obtained by comparing their iron absorption with that of FeSO4 . Mean fractional iron absorption was 5.8% [±standard error (SE) 1.9] from FAC and 10.3% (±SE 1.9) from FeSO4 + NaFeEDTA. The relative bioavailability of FAC was 83% (P = 0.02). The relative bioavailability of FeSO4 + NaFeEDTA was 145% (P = 0.001). Iron absorption from the rice containing FAC or FeSO4 + NaFeEDTA was sufficiently high to be used in its formulation, although iron absorption from FeSO4 + NaFeEDTA was significantly higher (P < 0.00001). © 2015 John Wiley & Sons Ltd.
Kostyrko, Vitaly A.; Bertsova, Yulia V.; Serebryakova, Marina V.; Baykov, Alexander A.
2015-01-01
ABSTRACT Na+-translocating NADH:quinone oxidoreductase (Na+-NQR) catalyzes electron transfer from NADH to ubiquinone in the bacterial respiratory chain, coupled with Na+ translocation across the membrane. Na+-NQR maturation involves covalent attachment of flavin mononucleotide (FMN) residues, catalyzed by flavin transferase encoded by the nqr-associated apbE gene. Analysis of complete bacterial genomes has revealed another putative gene (duf539, here renamed nqrM) that usually follows the apbE gene and is present only in Na+-NQR-containing bacteria. Expression of the Vibrio harveyi nqr operon alone or with the associated apbE gene in Escherichia coli, which lacks its own Na+-NQR, resulted in an enzyme incapable of Na+-dependent NADH or reduced nicotinamide hypoxanthine dinucleotide (dNADH) oxidation. However, fully functional Na+-NQR was restored when these genes were coexpressed with the V. harveyi nqrM gene. Furthermore, nqrM lesions in Klebsiella pneumoniae and V. harveyi prevented production of functional Na+-NQR, which could be recovered by an nqrM-containing plasmid. The Na+-NQR complex isolated from the nqrM-deficient strain of V. harveyi lacks several subunits, indicating that nqrM is necessary for Na+-NQR assembly. The protein product of the nqrM gene, NqrM, contains a single putative transmembrane α-helix and four conserved Cys residues. Mutating one of these residues (Cys33 in V. harveyi NqrM) to Ser completely prevented Na+-NQR maturation, whereas mutating any other Cys residue only decreased the yield of the mature protein. These findings identify NqrM as the second specific maturation factor of Na+-NQR in proteobacteria, which is presumably involved in the delivery of Fe to form the (Cys)4[Fe] center between subunits NqrD and NqrE. IMPORTANCE Na+-translocating NADH:quinone oxidoreductase complex (Na+-NQR) is a unique primary Na+ pump believed to enhance the vitality of many bacteria, including important pathogens such as Vibrio cholerae, Vibrio
Mössbauer and Kerr microscopy investigation of crystallization in FeCoB ribbons
DOE Office of Scientific and Technical Information (OSTI.GOV)
Reddy, V. Raghavendra, E-mail: varimalla@yahoo.com, E-mail: vrreddy@csr.res.in; Hussain, Zaineb; Babu, Hari
2016-05-23
The present work reports the crystallization study of amorphous FeCoB ribbons using x-ray diffraction, {sup 57}Fe Mössbauer spectroscopy in transmission mode and magneto-optical Kerr (MOKE) microscopy. Annealing at 673 K is found to result in crystallization. From the Mossbauer measurements it is observed that the Fe magnetic moments are in the plane of sample for as-cast ribbon; α-FeCo, (Fe{sub 0.5}Co{sub 0.5}){sub 2}B and Fe{sub 2}B phases are formed after crystallization. MOKE microscopy revealed that wide 180° domain walls & narrow fingerprint domains are observed before crystallization and fine domains are observed after crystallization. The results are explained in terms ofmore » the presence of internal stresses and their annealing with thermal heat treatment.« less
Nitric oxide removal by combined urea and FeIIEDTA reaction systems.
He, Feiqiang; Deng, Xianhe; Chen, Min
2017-02-01
(NH 2 ) 2 CO as well as Fe II EDTA is an absorbent for simultaneous desulfurization and denitrification. However, they have their own drawbacks, like the oxidation of Fe II EDTA and the low solubility of NO in urea solution. To overcome these defects, A mixed absorbent containing both (NH 2 ) 2 CO and Fe II EDTA was employed. The effects of various operating parameters (urea and Fe II EDTA concentration, temperature, inlet oxygen concentration, pH value) on NO removal were examined in the packed tower. The results indicated that the NO removal efficiency increased with the decrease of oxygen concentration as well as the increase of Fe II EDTA concentration. The NO removal efficiency had little change with a range of 25-45 °C, and sharply decreased at the temperature of above 55 °C. The NO removal efficiency initially increases up to the maximum value and then decreases with the increase of pH value as well as the raise of urea concentration. In addition, the synergistic mechanism of (NH 2 ) 2 CO and Fe II EDTA on NO removal was investigated. Results showed that urea could react with Fe II EDTA-NO to produce Fe II EDTA, N 2 , and CO 2 , and hinder oxidation of Fe II EDTA. Finally, to evaluate the effect of SO 3 2- on NO removal, a mixed absorbent containing Fe II EDTA, urea, and Na 2 SO 3 was employed to absorb NO. The mixed absorbent could maintain more than 78% for 80 min at 25 °C, pH = 7.0, (NH 2 ) 2 CO concentration of 5 wt%, Fe II EDTA concentration of 0.02 M, O 2 concentration of 7% (v/v), and Na 2 SO 3 concentration of 0.2 M. Copyright © 2016 Elsevier Ltd. All rights reserved.
Jaisi, Deb P.; Kukkadapu, R.K.; Eberl, D.D.; Dong, H.
2005-01-01
A quantitative study was performed to understand how Fe(III) site occupancy controls Fe(III) bioreduction in nontronite by Shewanella putrefaciens CN32. NAu-1 and NAu-2 were nontronites and contained Fe(III) in different structural sites with 16 and 23% total iron (w/w), respectively, with almost all iron as Fe(III). Mo??ssbauer spectroscopy showed that Fe(III) was present in the octahedral site in NAu-1 (with a small amount of goethite), but in both the tetrahedral and the octahedral sites in NAu-2. Mo??ssbauer data further showed that the octahedral Fe(III) in NAu-2 existed in at least two environments- trans (M1) and cis (M2) sites. The microbial Fe(III) reduction in NAu-1 and NAu-2 was studied in batch cultures at a nontronite concentration of 5 mg/mL in bicarbonate buffer with lactate as the electron donor. The unreduced and bioreduced nontronites were characterized by X-ray diffraction (XRD), Mo??ssbauer spectroscopy, and transmission electron microscopy (TEM). In the presence of an electron shuttle, anthraquinone-2,6-disulfonate (AQDS), the extent of bioreduction was 11%-16% for NAu-1 but 28%-32% for NAu-2. The extent of reduction in the absence of AQDS was only 5%-7% for NAu-1 but 14%-18% for NAu-2. The control experiments with heat killed cells and without cells did not show any appreciable reduction (<2%). The extent of reduction in experiments performed with a dialysis membrane to separate cells from clays (without AQDS) was 2%-3% for NAu-1 but 5%-7% for NAu-2, suggesting that cells probably released an electron shuttling compound and/or Fe(III) chelator. The reduction rate was also faster in NAu-2 than that in NAu-1. Mo??ssbauer data of the bioreduced nontronite materials indicated that the Fe(III) reduction in NAu-1 was mostly from the presence of goethite, whereas the reduction in NAu-2 was due to the presence of the tetrahedral and trans-octahedral Fe(III) in the structure. The measured aqueous Fe(II) was negligible. As a result of bioreduction, the
Zhao, Yuqiang; Huang, Rongjin; Li, Shaopeng; Wang, Wei; Jiang, Xingxing; Lin, Zheshuai; Li, Jiangtao; Li, Laifeng
2016-07-27
Cubic NaZn13-type La(Fe1-xCox)11.4Al1.6 compounds were synthesized and extensively explored through crystal structure and magnetization analyses. By optimizing the chemical composition, the isotropic abnormal properties of excellent zero and giant negative thermal expansion in a pure form were both found at different temperature ranges through room temperature. Moreover, the temperature regions with the remarkable abnormal thermal expansion (ATE) properties have been broadened which are controlled by the dM/dT. The present study demonstrates that the ATE behavior mainly depends on special structural and magnetic properties. These diverse properties suggest the high potential of La(Fe1-xCox)11.4Al1.6 for the development of abnormal expansion materials.
Rajagopalan, Ranjusha; Chen, Bo; Zhang, Zhicheng; Wu, Xing-Long; Du, Yonghua; Huang, Ying; Li, Bing; Zong, Yun; Wang, Jie; Nam, Gwang-Hyeon; Sindoro, Melinda; Dou, Shi Xue; Liu, Hua Kun; Zhang, Hua
2017-03-01
The methodology employed here utilizes the sodium super ion conductor type sodium iron phosphate wrapped with conducting carbon network to generate a stable Fe 3+ /Fe 4+ redox couple, thereby exhibiting higher operating voltage and energy density of sodium-ion batteries. This new class of sodium iron phosphate wrapped by carbon also displays a cycling stability with >96% capacity retention after 200 cycles. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Liu, Bei; Li, Chunxia; Ma, Ping'an; Chen, Yinyin; Zhang, Yuanxin; Hou, Zhiyao; Huang, Shanshan; Lin, Jun
2015-02-07
A low toxic multifunctional nanoplatform, integrating both mutimodal diagnosis methods and antitumor therapy, is highly desirable to assure its antitumor efficiency. In this work, we show a convenient and adjustable synthesis of multifunctional nanoparticles NaYF4:Yb, Er@mSiO2@Fe3O4-PEG (MFNPs) based on different sizes of up-conversion nanoparticles (UCNPs). With strong up-conversion fluorescence offered by UCNPs, superparamagnetism properties attributed to Fe3O4 nanoparticles and porous structure coming from the mesoporous SiO2 shell, the as-obtained MFNPs can be utilized not only as a contrast agent for dual modal up-conversion luminescence (UCL)/magnetic resonance (MR) bio-imaging, but can also achieve an effective magnetically targeted antitumor chemotherapy both in vitro and in vivo. Furthermore, the UCL intensity of UCNPs and the magnetic properties of Fe3O4 in the MFNPs were carefully balanced. Silica coating and further PEG modifying can improve the hydrophilicity and biocompatibility of the as-synthesized MFNPs, which was confirmed by the in vitro/in vivo biocompatibility and in vivo long-time bio-distributions tests. Those results revealed that the UCNPs based magnetically targeted drug carrier system we synthesized has great promise in the future for multimodal bio-imaging and targeted cancer therapy.
NASA Astrophysics Data System (ADS)
Peng, X.; Guo, Z.
2016-12-01
Marine sediments associated with cold seeps at continental margins discharge substantial amounts of methane. Microbial anaerobic oxidation of methane (AMO) is a key biogeochemical process in these environments, which can trigger the formation of carbonate chimneys within sediments. The exact biogeochemical mechanism of how AMO control the formation of carbonate chimneys and influence their mineralogy and chemistry remains poorly constrained. Here, we use nano-scale secondary ion mass spectrometry to characterize the petrology and geochemistry of methane-derived Fe-rich carbonate chimneys formed between 5-7 Ma in the Northern Okinawa Trough. We find abundant framboid pyrites formed in the authigenic carbonates in the chimneys, indicating a non-Fe limitation sedimentary system. The δ13C values of carbonate (-18.9‰ to -45.9‰, PDB) show their probable origin from a mixing source of biogenic and thermogenic methane. The δ34S values range from -3.9 ± 0.5‰ to 23.2 ± 0.5‰ (VCDT), indicative of a strong exhaustion of sulfates in a local sulfate pool. We proposed that Fe-rich carbonate chimneys formed at the bottom of the sulfate-methane transition zone, beneath which Fe-driven AOM may happen and provide available ferrous for the extensive precipitation of pyrite in carbonate chimneys. The accumulation of reductive Fe in sediments via this process may widely occur in other analogous settings, with important application for Fe and S biogeochemical cycling within deep sediments at continental margins.
NASA Astrophysics Data System (ADS)
Supee, A.; Ichimura, M.
2017-12-01
Heterostructures which consist of ZnO and FeS x O y were deposited via electrochemical deposition (ECD) for application to solar cells. Galvanostatic ECD was used in FeS x O y deposition with a solution containing 100 mM Na2S2O3 and 30 mM FeSO4. To alter the film properties, L(+)-tartaric acid (C4H6O6) and lactic acid [CH3CH(OH)COOH] were introduced as the complexing agents into the FeS x O y deposition solution. Larger film thickness and smaller oxygen content were obtained for the films deposited with the complexing agents. ZnO was deposited on FeS x O y by two-step pulse ECD from a solution containing Zn(NO3)2. For the ZnO/FeS x O y heterostructures fabricated with/without complexing agents, rectifying properties were confirmed in the current density-voltage ( J- V) characteristics. However, photovoltaic properties were not improved with addition of both complexing agents.
Cortez, Juliana; Pasquini, Celio
2013-02-05
The ring-oven technique, originally applied for classical qualitative analysis in the years 1950s to 1970s, is revisited to be used in a simple though highly efficient and green procedure for analyte preconcentration prior to its determination by the microanalytical techniques presently available. The proposed preconcentration technique is based on the dropwise delivery of a small volume of sample to a filter paper substrate, assisted by a flow-injection-like system. The filter paper is maintained in a small circular heated oven (the ring oven). Drops of the sample solution diffuse by capillarity from the center to a circular area of the paper substrate. After the total sample volume has been delivered, a ring with a sharp (c.a. 350 μm) circular contour, of about 2.0 cm diameter, is formed on the paper to contain most of the analytes originally present in the sample volume. Preconcentration coefficients of the analyte can reach 250-fold (on a m/m basis) for a sample volume as small as 600 μL. The proposed system and procedure have been evaluated to concentrate Na, Fe, and Cu in fuel ethanol, followed by simultaneous direct determination of these species in the ring contour, employing the microanalytical technique of laser induced breakdown spectroscopy (LIBS). Detection limits of 0.7, 0.4, and 0.3 μg mL(-1) and mean recoveries of (109 ± 13)%, (92 ± 18)%, and (98 ± 12)%, for Na, Fe, and Cu, respectively, were obtained in fuel ethanol. It is possible to anticipate the application of the technique, coupled to modern microanalytical and multianalyte techniques, to several analytical problems requiring analyte preconcentration and/or sample stabilization.
Novel solid-state synthesis of α-Fe and Fe3O4 nanoparticles embedded in a MgO matrix
NASA Astrophysics Data System (ADS)
Schneeweiss, O.; Zboril, R.; Pizurova, N.; Mashlan, M.; Petrovsky, E.; Tucek, J.
2006-01-01
Thermally induced reduction of amorphous Fe2O3 nanopowder (2-3 nm) with nanocrystalline Mg (~20 nm) under a hydrogen atmosphere is presented as a novel route to obtain α-Fe and Fe3O4 magnetic nanoparticles dispersed in a MgO matrix. The phase composition, structural and magnetic properties, size and morphology of the nanoparticles were monitored by x-ray diffraction, 57Fe Mössbauer spectroscopy at temperatures of 24-300 K, transmission electron microscopy and magnetic measurements. Spherical magnetite nanoparticles prepared at a reaction temperature of 300 °C revealed a well-defined structure, with a ratio of tetrahedral to octahedral Fe sites of 1/2 being common for the bulk material. A narrow particle size distribution (20-30 nm) and high saturation magnetization (95 ± 5 A m2 kg-1) predispose the magnetite nanoparticles to various applications, including magnetic separation processes. The Verwey transition of Fe3O4 nanocrystals was found to be decreased to about 80 K. The deeper reduction of amorphous ferric oxide at 600 °C allows α-Fe (40-50 nm) nanoparticles to be synthesized with a coercive force of about 30 mT. They have a saturation magnetization 2.2 times higher than that of synthesized magnetite nanoparticles, which corresponds well with the ratio usually found for the pure bulk phases. The magnetic properties of α-Fe nanocrystals combined with the high chemical and thermal stability of the MgO matrix makes the prepared nanocomposite useful for various magnetic applications.
Solvothermal synthesis of Au@Fe3O4 nanoparticles for antibacterial applications
NASA Astrophysics Data System (ADS)
Kelgenbaeva, Zhazgul; Abdullaeva, Zhypargul; Murzubraimov, Bektemir
2018-04-01
We present Au@Fe3O4 nanoparticles obtained from Fe nanoparticles and HAuCl4 using a simple solvothermal method. Trisodium citrate (C6H5Na3O7*2H2O) served as a reducing agent for Au. X-ray diffraction analysis, electronic microscopes and energy-dispersive X-ray spectroscopy revealed cubic structure, elemental composition (Au, Fe and O) and spherical shape of nanoparticles. Antibacterial activity of the sample was tested against E. coli bacteria and obtained results were discussed.
The corrosion behavior of Fe-Mn-Al weld metals
NASA Astrophysics Data System (ADS)
Aidun, Daryush K.
2001-02-01
The corrosion resistance of a newly developed iron-base, Fe-Mn-Al austenitic, and duplex weld metal has been examined in the NACE solution consisting of 5 wt.% NaCl, 0.5 wt.% acetic acid, and the balance distilled water. The electrochemical techniques such as potentiodynamic polarization, Tafel plots, linear polarization, cyclic polarization, and open-circuit potential versus time were employed. The Fe-Mn-Al weld metals did not passivate and exhibited high corrosion rates. Fe-Cr-Ni (310 and 316) weld and base metals were also examined in the NACE solution at room temperature. The 310 and 316 base metals were more resistant to corrosion than the as-welded 310 and 316 weld metals. Postweld heat treatment (PWHT) improved the corrosion performance of the Fe-Mn-Al weld metals. The corrosion resistance of Fe-Mn-Al weld metals after PWHT was still inferior to that of the 310 and 316 weld and base metals.
Corrosion behaviour of Al-Fe-Ti-V medium entropy alloy
NASA Astrophysics Data System (ADS)
Bodunrin, M. O.; Obadele, B. A.; Chown, L. H.; Olubambi, P. A.
2017-12-01
Alloys containing up to four multi-principal elements in equiatomic ratios are referred to as medium entropy alloys (MEA). These alloys have attracted the interest of many researchers due to the superior mechanical properties it offers over the traditional alloys. The design approach of MEA often results to simple solid solution with either body centered cubic; face centered cubic structures or both. As the consideration for introducing the alloys into several engineering application increases, there have been efforts to study the corrosion behaviour of these alloys. Previous reports have shown that some of these alloys are more susceptible to corrosion when compared with traditional alloys due to lack of protective passive film. In this research, we have developed AlFeTiV medium entropy alloys containing two elements (Ti and Al) that readily passivate when exposed to corrosive solutions. The alloys were produced in vacuum arc furnace purged with high purity argon. Open circuit potential and potentiodynamic polarisation tests were used to evaluate the corrosion behaviour of the as-cast AlFeTiV alloy in 3.5 wt% NaCl and 1 M H2SO4. The corrosion performance of the alloy was compared with Ti-6Al-4V alloy tested under similar conditions. The results show that unlike in Ti-6Al-4V alloy, the open circuit potential of the AlFeTiV alloy move towards the negative values in both 3.5 wt% NaCl and 1 M H2SO4 solutions indicating that self-activation occurred rapidly on immersion. Anodic polarisation of the alloys showed that AlFeTiV alloy exhibited a narrow range of passivity in both solutions. In addition, the alloys exhibited lower Ecorr and higher Icorr when compared with traditional Ti-6Al-4V alloy. The traditional Ti-6Al-4V alloy showed superior corrosion resistant to the AlFeTiV alloy in both 3.5 wt.% NaCl and 1 M H2SO4 solutions.
Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals
NASA Astrophysics Data System (ADS)
Muhammad, Zahir; Lv, Haifeng; Wu, Chuanqiang; Habib, Muhammad; Rehman, Zia ur; Khan, Rashid; Chen, Shuangming; Wu, Xiaojun; Song, Li
2018-04-01
Two dimensional (2D) layered magnetic materials have obtained much attention due to their intriguing properties with a potential application in the field of spintronics. Herein, room-temperature ferromagnetism with 0.2 emu g‑1 magnetic moment is realized in Fe-doped ZrS2 single crystals of millimeter size, in comparison with diamagnetic behaviour in ZrS2. The electron paramagnetic resonance spectroscopy reveals that 5.2wt% Fe-doping ZrS2 crystal exhibit high spin value of g-factor about 3.57 at room temperature also confirmed this evidence, due to the unpaired electrons created by doped Fe atoms. First principle static electronic and magnetic calculations further confirm the increased stability of long range ferromagnetic ordering and enhanced magnetic moment in Fe-doped ZrS2, originating from the Fe spin polarized electron near the Fermi level.
NASA Astrophysics Data System (ADS)
Pattanayak, Ranjit; Kuila, Sourav; Raut, Subhajit; Ghosh, Surya Prakash; Dhal, Satyanarayan; Panigrahi, Simanchalo
2017-12-01
Four novel polycrystalline magnetoelectric composite systems: S1, S2, S3 and S4 having composition [90 wt% Na0.5Bi0.5TiO3 (NBT) - 10 wt% BaFe12O19 (BaM)] considering the variation of grain size of both the phases [NBT(Lg)-BaM(Lg)-[S1], NBT(Lg)-BaM(Sg)-[S2], NBT(Sg)-BaM(Lg)-[S3] and NBT(Sg)-BaM(Sg)-[S4
Different copolymer films on ZnFeCo particles: Synthesis and anticorrosion properties
NASA Astrophysics Data System (ADS)
Ozyilmaz, A. Tuncay; Avsar, Busra; Ozyilmaz, Gul; Karahan, İ. Hakkı; Camurcu, Taskin; Colak, Fatma
2014-11-01
Zinc-iron-cobalt (ZnFeCo) particles were electrochemically deposited on carbon steel (CS) electrode applying current of 3 mA with chronopotentiometry technique. ZnFeCo particles had homogenous, smooth with prismatic structure. It was shown that the ZnFeCo particles exhibited important barrier effect on CS substrate. Poly(aniline-co-o-anisidine), poly(aniline-co-pyrrole), poly(aniline-co-N-methylpyrrole) and poly(o-anisidine-co-pyrrole) copolymer films were obtained on CS/ZnFeCo electrode. Evaluation of anticorrosion performance of copolymer coatings in 3.5% NaCl solution was investigated by using AC impedance spectroscopy (EIS) technique, anodic polarization and the Eocp-time curves. Copolymer films exhibited significant physical barrier behavior on ZnFeCo plated carbon steel, in longer exposure time.
Metallic elements (Ca, Hg, Fe, K, Mg, Mn, Na, Zn) in the fruiting bodies of Boletus badius.
Kojta, Anna K; Falandysz, Jerzy
2016-06-01
The aim of this study was to investigate and compare the levels of eight metallic elements in the fruiting bodies of Bay Bolete (Boletus badius; current name Imleria badia) collected from ten sites in Poland to understand better the value of this popular mushroom as an organic food. Bay Bolete fruiting bodies were collected from the forest area near the towns and villages of Kętrzyn, Poniatowa, Bydgoszcz, Pelplin, Włocławek, Żuromin, Chełmno, Ełk and Wilków communities, as well as in the Augustów Primeval Forest. Elements such as Ca, Fe, K, Mg, Mn, Na and Zn were analyzed by inductively coupled plasma atomic emission spectroscopy (ICP-OES), and mercury by cold vapor atomic absorption spectrometry (CV-AAS). This made it possible to assess the nutritional value of the mushroom, as well as possible toxicological risks associated with its consumption. The results were subjected to statistical analysis (Kruskal-Wallis test, cluster analysis, principal component analysis). Copyright © 2016 Elsevier Ltd. All rights reserved.
The solubility and site preference of Fe3+ in Li7−3xFexLa3Zr2O12 garnets
Rettenwander, D.; Geiger, C.A.; Tribus, M.; Tropper, P.; Wagner, R.; Tippelt, G.; Lottermoser, W.; Amthauer, G.
2015-01-01
A series of Fe3+-bearing Li7La3Zr2O12 (LLZO) garnets was synthesized using solid-state synthesis methods. The synthetic products were characterized compositionally using electron microprobe analysis and inductively coupled plasma optical emission spectroscopy (ICP-OES) and structurally using X-ray powder diffraction and 57Fe Mössbauer spectroscopy. A maximum of about 0.25 Fe3+ pfu could be incorporated in Li7−3xFexLa3Zr2O12 garnet solid solutions. At Fe3+ concentrations lower than about 0.16 pfu, both tetragonal and cubic garnets were obtained in the synthesis experiments. X-ray powder diffraction analysis showed only a garnet phase for syntheses with starting materials having intended Fe3+ contents lower than 0.52 Fe3+ pfu. Back-scattered electron images made with an electron microprobe also showed no phase other than garnet for these compositions. The lattice parameter, a0, for all solid-solution garnets is similar with a value of a0≈12.98 Å regardless of the amount of Fe3+. 57Fe Mössbauer spectroscopic measurements indicate the presence of poorly- or nano-crystalline FeLaO3 in syntheses with Fe3+ contents greater than 0.16 Fe3+ pfu. The composition of different phase pure Li7−3xFexLa3Zr2O12 garnets, as determined by electron microprobe (Fe, La, Zr) and ICP-OES (Li) measurements, give Li6.89Fe0.03La3.05Zr2.01O12, Li6.66Fe0.06La3.06Zr2.01O12, Li6.54Fe0.12La3.01Zr1.98O12, and Li6.19Fe0.19La3.02Zr2.04O12. The 57Fe Mössbauer spectrum of cubic Li6.54Fe0.12La3.01Zr1.98O12 garnet indicates that most Fe3+ occurs at the special crystallographic 24d position, which is the standard tetrahedrally coordinated site in garnet. Fe3+ in smaller amounts occurs at a general 96h site, which is only present for certain Li-oxide garnets, and in Li6.54Fe0.12La3.01Zr1.98O12 this Fe3+ has a distorted 4-fold coordination. PMID:26435549
3C 57 as an atypical radio-loud quasar: implications for the radio-loud/radio-quiet dichotomy
NASA Astrophysics Data System (ADS)
Sulentic, J. W.; Martínez-Carballo, M. A.; Marziani, P.; del Olmo, A.; Stirpe, G. M.; Zamfir, S.; Plauchu-Frayn, I.
2015-06-01
Lobe-dominated radio-loud (LD RL) quasars occupy a restricted domain in the 4D Eigenvector 1 (4DE1) parameter space which implies restricted geometry/physics/kinematics for this subclass compared to the radio-quiet (RQ) majority of quasars. We discuss how this restricted domain for the LD RL parent population supports the notion for a RQ-RL dichotomy among type 1 sources. 3C 57 is an atypical RL quasar that shows both uncertain radio morphology and falls in a region of 4DE1 space where RL quasars are rare. We present new radio flux and optical spectroscopic measures designed to verify its atypical optical/UV spectroscopic behaviour and clarify its radio structure. The former data confirms that 3C 57 falls off the 4DE1 quasar `main sequence' with both extreme optical Fe II emission (R_{Fe II} ˜ 1) and a large C IV λ1549 profile blueshift (˜-1500 km s-1). These parameter values are typical of extreme Population A sources which are almost always RQ. New radio measures show no evidence for flux change over a 50+ year time-scale consistent with compact steep-spectrum (or young LD) over core-dominated morphology. In the 4DE1 context where LD RL are usually low L/LEdd quasars, we suggest that 3C 57 is an evolved RL quasar (i.e. large blackhole mass) undergoing a major accretion event leading to a rejuvenation reflected by strong Fe II emission, perhaps indicating significant heavy metal enrichment, high bolometric luminosity for a low-redshift source and resultant unusually high Eddington ratio giving rise to the atypical C IV λ1549.
Moessbauer spectroscopy of Mg(0.9)Fe(0.1)SiO3 perovskite
NASA Technical Reports Server (NTRS)
Jeanloz, Raymond; O'Neill, Bridget; Pasternak, Moshe P.; Taylor, R. D.; Bohlen, Steven R.
1992-01-01
Ambient pressure Moessbauer spectra of Mg(0.9)Fe-57(0.1)SiO3 perovskite synthesized at pressure-temperature conditions of about 50 GPa and 1700 K show that the iron is entirely high-spin Fe(2+) and appears to be primarily located in the octahedral site within the crystal structure. We observe broad Moessbauer lines, suggesting a distribution of electric-field gradients caused by disorder associated with the Fe ions. Also, the perovskite exhibits magnetic ordering at temperatures lower than 5 K, implying that there is a magnetic contribution to the absolute ('third-law') entropy of this phase.
Mössbauer effect studies of Fe-C combinatorially sputtered thin films
NASA Astrophysics Data System (ADS)
Al-Maghrabi, M. A.; Sanderson, R. J.; Dunlap, R. A.
2013-08-01
Alloys of Fe1- x C x were produced using combinatorial sputtering methods. The composition of the films as a function of position was determined using electron microprobe techniques and the results have shown that a composition range of about 0.35 < x < 0.75 was obtained. X-ray diffraction methods were employed to study the structure of the thin films and showed that all portions of the films were amorphous or nanostructured. Room temperature 57Fe Mössbauer spectroscopy was utilized to study the atomic environment around the Fe atoms. Hyperfine field distributions of ferromagnetic alloys, as extracted from the Mössbauer analysis, suggested the existence of two classes of Fe sites: (1) classes of Fe sites that have primarily Fe neighbours corresponding to a high-field component in the distribution and (2) classes of Fe sites that have a greater number of C neighbours, corresponding to a low-field component. The magnetic splitting decreased as a function of increasing carbon concentration and alloys with x greater than about 0.68 were primarily paramagnetic in nature. These spectra exhibited distributions of quadrupole splitting with mean splitting in excess of 1.0 mm/s. This indicates a higher degree of local asymmetry around the Fe sites than typically seen in other Fe-metalloid systems.
Super reduced Fe4S4 cluster of Balch's dithiolene series.
Begum, Ameerunisha; Moula, Golam; Bose, Moumita; Sarkar, Sabyasachi
2012-03-28
A super reduced Fe(4)S(4) cluster with a sulfur based radical, [NBu(4)](4)[Fe(3)(III)Fe(II)(μ(3)-S)(4)(mnt)(3)(6-)(mnt)(1-)˙](4-)˙, (1) (mnt, maleonitrile dithiolate) which evolves H(2)S gas on treatment with acid under ambient conditions has been synthesized and structurally characterized. The Fe-S distances in 1 are in the range 2.246-2.383 Å, in stark contrast to that of the known n = -2 member of the series based on the [Fe(4)(μ(3)-S)(4)(S(2)C(2)R(2))(4)](n) unit (R = CF(3), Ph) with Fe-S bond lengths of 2.149-2.186 Å. The EPR of 1 displays very weak signals at g, 4.03 and 2.38 along with a strong S-based radical EPR signal at g, 2.003 associated with five structured components tentatively assigned to hyperfine interaction arising out of the naturally abundant (57)Fe with = 88 G. The EPR profile resembles the reduced Fe-S cluster of CO inhibited Clostridium pasteurianum W5 hydrogenase or the Fe(4)S(4) centers of wild-type enzyme, IspH treated with HMBPP or IPP.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Johnson, Christian I.; Rich, R. Michael; Kobayashi, Chiaki
2012-04-20
We report chemical abundances of Na, Al, Zr, La, Nd, and Eu for 39 red giant branch (RGB) stars and 23 potential inner disk red clump stars located in Plaut's low-extinction window. We also measure lithium for a super Li-rich RGB star. The abundances were determined by spectrum synthesis of high-resolution (R Almost-Equal-To 25,000), high signal-to-noise (S/N {approx} 50-100 pixel{sup -1}) spectra obtained with the Blanco 4 m telescope and Hydra multifiber spectrograph. For the bulge RGB stars, we find a general increase in the [Na/Fe] and [Na/Al] ratios with increasing metallicity, and a similar decrease in [La/Fe] and [Nd/Fe].more » Additionally, the [Al/Fe] and [Eu/Fe] abundance trends almost identically follow those of the {alpha}-elements, and the [Zr/Fe] ratios exhibit relatively little change with [Fe/H]. The consistently low [La/Eu] ratios of the RGB stars indicate that at least a majority of bulge stars formed rapidly ({approx}<1 Gyr) and before the main s-process could become a significant pollution source. In contrast, we find that the potential inner disk clump stars exhibit abundance patterns more similar to those of the thin and thick disks. Comparisons between the abundance trends at different bulge locations suggest that the inner and outer bulges formed on similar timescales. However, we find evidence of some abundance differences between the most metal-poor and metal-rich stars in various bulge fields. The data also indicate that the halo may have had a more significant impact on the outer bulge initial composition than the inner bulge composition. The [Na/Fe], and to a lesser extent [La/Fe], abundances further indicate that the metal-poor bulge, at least at {approx}1 kpc from the Galactic center, and thick disk may not share an identical chemistry.« less
Rodriguez, Alvaro A.; Tylczak, Joseph H.; Gao, Michael C.; ...
2018-01-01
The corrosion behavior of high-entropy alloys (HEAs) CoCrFeNi 2 and CoCrFeNi 2 Mo 0.25 was investigated in 3.5 wt. percent sodium chloride (NaCl) at 25°C by electrochemical methods. Their corrosion parameters were compared to those of HASTELLOY® C-276 (UNS N10276) and stainless steel 316L (UNS 31600) to assess the suitability of HEAs for potential industrial applications in NaCl simulating seawater type environments. The corrosion rates were calculated using corrosion current determined from electrochemical experiments for each of the alloys. In addition, potentiodynamic polarization measurements can indicate active, passive, and transpassive behavior of the metal as well as potential susceptibility to pittingmore » corrosion. Cyclic voltammetry (CV) can confirm the alloy susceptibility to pitting corrosion. Electrochemical impedance spectroscopy (EIS) elucidates the corrosion mechanism under studied conditions. The results of the electrochemical experiments and scanning electron microscopy (SEM) analyses of the corroded surfaces revealed general corrosion on alloy CoCrFeNi 2 Mo 0.25 and HASTELLOY C-276 and pitting corrosion on alloy CoCrFeNi 2 and stainless steel 316L.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rodriguez, Alvaro A.; Tylczak, Joseph H.; Gao, Michael C.
The corrosion behavior of high-entropy alloys (HEAs) CoCrFeNi 2 and CoCrFeNi 2 Mo 0.25 was investigated in 3.5 wt. percent sodium chloride (NaCl) at 25°C by electrochemical methods. Their corrosion parameters were compared to those of HASTELLOY® C-276 (UNS N10276) and stainless steel 316L (UNS 31600) to assess the suitability of HEAs for potential industrial applications in NaCl simulating seawater type environments. The corrosion rates were calculated using corrosion current determined from electrochemical experiments for each of the alloys. In addition, potentiodynamic polarization measurements can indicate active, passive, and transpassive behavior of the metal as well as potential susceptibility to pittingmore » corrosion. Cyclic voltammetry (CV) can confirm the alloy susceptibility to pitting corrosion. Electrochemical impedance spectroscopy (EIS) elucidates the corrosion mechanism under studied conditions. The results of the electrochemical experiments and scanning electron microscopy (SEM) analyses of the corroded surfaces revealed general corrosion on alloy CoCrFeNi 2 Mo 0.25 and HASTELLOY C-276 and pitting corrosion on alloy CoCrFeNi 2 and stainless steel 316L.« less
Olakanmi, Oyebode; Kesavalu, Banurekha; Pasula, Rajamouli; Abdalla, Maher Y.; Schlesinger, Larry S.
2013-01-01
Acquiring iron (Fe) is critical to the metabolism and growth of Mycobacterium tuberculosis. Disruption of Fe metabolism is a potential approach for novel antituberculous therapy. Gallium (Ga) has many similarities to Fe. Biological systems are often unable to distinguish Ga3+ from Fe3+. Unlike Fe3+, Ga3+ cannot be physiologically reduced to Ga2+. Thus, substituting Ga for Fe in the active site of enzymes may render them nonfunctional. We previously showed that Ga inhibits growth of M. tuberculosis in broth and within cultured human macrophages. We now report that Ga(NO3)3 shows efficacy in murine tuberculosis models. BALB/c SCID mice were infected intratracheally with M. tuberculosis, following which they received daily intraperitoneal saline, Ga(NO3)3, or NaNO3. All mice receiving saline or NaNO3 died. All Ga(NO3)3-treated mice survived. M. tuberculosis CFU in the lungs, liver, and spleen of the NaNO3-treated or saline-treated mice were significantly higher than those in Ga-treated mice. When BALB/c mice were substituted for BALB/c SCID mice as a chronic (nonlethal) infection model, Ga(NO3)3 treatment significantly decreased lung CFU. To assess the mechanism(s) whereby Ga inhibits bacterial growth, the effect of Ga on M. tuberculosis ribonucleotide reductase (RR) (a key enzyme in DNA replication) and aconitase activities was assessed. Ga decreased M. tuberculosis RR activity by 50 to 60%, but no additional decrease in RR activity was seen at Ga concentrations that completely inhibited mycobacterial growth. Ga decreased aconitase activity by 90%. Ga(NO3)3 shows efficacy in murine M. tuberculosis infection and leads to a decrease in activity of Fe-dependent enzymes. Additional work is warranted to further define Ga's mechanism of action and to optimize delivery forms for possible therapeutic uses in humans. PMID:24060870
Structure and magnetic properties of Fe-Co nanoparticles prepared by polyol method
NASA Astrophysics Data System (ADS)
Lam, Nguyen Mau; Thi, Tran Minh; Thanh, Pham Thi; Yen, Nguyen Hai; Dan, Nguyen Huy
2018-03-01
Fe100-xCox (x = 25 - 45) nanoparticles have been successfully prepared from FeCl2 and Co(C2H3O2)2 by thermal decomposition process in solution of polyethylene glycol and NaOH (polyol method). The influence of pH level and Co concentration on structure and magnetic properties of the Fe-Co nanoparticles were investigated. The X-Ray Diffraction (XRD) results confirm the formation of a body centered cubic single phase of the Fe(Co) nanoparticles. The Scanning Electron Microscopy (SEM) images show the grain size of the samples is about 60 nm. Saturation magnetization the Fe-Co nanoparticles strongly depends on the Co concentration and pH level in the fabrication process. The optimal pH level and Co concentration for the Fe-Co nanoparticles were found to be 7 and 35 at%, respectively. A quite high saturation magnetization of 228 emu/g has been achieved for the Fe-Co nanoparticles.
Understanding effect of 3.5 wt.% NaCl on the corrosion of Al0.1CoCrFeNi high-entropy alloy
NASA Astrophysics Data System (ADS)
Kumar, N.; Fusco, M.; Komarasamy, M.; Mishra, R. S.; Bourham, M.; Murty, K. L.
2017-11-01
High entropy alloys are a new class of metallic materials with potential for use in a wide variety of applications including their use in corrosive environment. The present study focused on the corrosion behavior of a single-phase, face-centered cubic high entropy alloy (HEA) Al0.1CoCrFeNi in as-cast condition, and the results are compared with the corrosion behavior of the SS304. The microstructural characterization of the alloys in as-received condition was carried out using optical microscopy, electron backscattered diffraction, energy dispersive spectroscopy, and X-ray diffraction. Corrosion behavior was studied using potentiodynamic polarization test in a 3.5 wt% NaCl solution and electrochemical impedance spectroscopy at room temperature. It was observed that the general corrosion resistance of the HEA was better than that of SS304. Pitting potential of the HEA was found to be superior to that of the SS304. Corrosion pits size was slightly smaller in SS304 than that in the HEA. 3D imaging determined that the pit depths were of the same order in both cases. Overall, the HEA Al0.1CoCrFeNi demonstrated a better resistance to general and pitting corrosion.
Lebigot, E; Gaignard, P; Dorboz, I; Slama, A; Rio, M; de Lonlay, P; Héron, B; Sabourdy, F; Boespflug-Tanguy, O; Cardoso, A; Habarou, F; Ottolenghi, C; Thérond, P; Bouton, C; Golinelli-Cohen, M P; Boutron, A
2017-11-01
Lipoic acid (LA) is the cofactor of the E2 subunit of mitochondrial ketoacid dehydrogenases and plays a major role in oxidative decarboxylation. De novo LA biosynthesis is dependent on LIAS activity together with LIPT1 and LIPT2. LIAS is an iron‑sulfur (Fe-S) cluster-containing mitochondrial protein, like mitochondrial aconitase (mt-aco) and some subunits of respiratory chain (RC) complexes I, II and III. All of them harbor at least one [Fe-S] cluster and their activity is dependent on the mitochondrial [Fe-S] cluster (ISC) assembly machinery. Disorders in the ISC machinery affect numerous Fe-S proteins and lead to a heterogeneous group of diseases with a wide variety of clinical symptoms and combined enzymatic defects. Here, we present the biochemical profiles of several key mitochondrial [Fe-S]-containing proteins in fibroblasts from 13 patients carrying mutations in genes encoding proteins involved in either the lipoic acid (LIPT1 and LIPT2) or mitochondrial ISC biogenesis (FDX1L, ISCA2, IBA57, NFU1, BOLA3) pathway. Ten of them are new patients described for the first time. We confirm that the fibroblast is a good cellular model to study these deficiencies, except for patients presenting mutations in FDX1L and a muscular clinical phenotype. We find that oxidative phosphorylation can be affected by LA defects in LIPT1 and LIPT2 patients due to excessive oxidative stress or to another mechanism connecting LA and respiratory chain activity. We confirm that NFU1, BOLA3, ISCA2 and IBA57 operate in the maturation of [4Fe-4S] clusters and not in [2Fe-2S] protein maturation. Our work suggests a functional difference between IBA57 and other proteins involved in maturation of [Fe-S] proteins. IBA57 seems to require BOLA3, NFU1 and ISCA2 for its stability and NFU1 requires BOLA3. Finally, our study establishes different biochemical profiles for patients according to their mutated protein. Copyright © 2017 Elsevier Inc. All rights reserved.
Lauterbach, Lars; Wang, Hongxin; Horch, Marius; Gee, Leland B; Yoda, Yoshitaka; Tanaka, Yoshihito; Zebger, Ingo; Lenz, Oliver; Cramer, Stephen P
Hydrogenases are complex metalloenzymes that catalyze the reversible splitting of molecular hydrogen into protons and electrons essentially without overpotential. The NAD + -reducing soluble hydrogenase (SH) from Ralstonia eutropha is capable of H 2 conversion even in the presence of usually toxic dioxygen. The molecular details of the underlying reactions are largely unknown, mainly because of limited knowledge of the structure and function the various metal cofactors present in the enzyme. Here all iron-containing cofactors of the SH were investigated by 57 Fe specific nuclear resonance vibrational spectroscopy (NRVS). Our data provide experimental evidence for one [2Fe2S] center and four [4Fe4S] clusters, which is consistent with amino acid sequence composition. Only the [2Fe2S] cluster and one of the four [4Fe4S] clusters were reduced upon incubation of the SH with NADH. This finding explains the discrepancy between the large number of FeS clusters and the small amount of FeS cluster-related signals as detected by electron paramagnetic resonance spectroscopic analysis of several NAD + -reducing hydrogenases. For the first time, Fe-CO and Fe-CN modes derived from the [NiFe] active site could be distinguished by NRVS through selective 13 C labeling of the CO ligand. This strategy also revealed the molecular coordinates that dominate the individual Fe-CO modes. The present approach explores the complex vibrational signature of the Fe-S clusters and the hydrogenase active site, thereby showing that NRVS represents a powerful tool for the elucidation of complex biocatalysts containing multiple cofactors.
NASA Astrophysics Data System (ADS)
Lakbita, Imane; El-Hami, Khalil
2018-02-01
Ultra-thin films of the polyvinylidene fluoride and trifluoroethylene (P(VDF/TrFE)) copolymer were elaborated on various different substrates by the spin coating method. The purpose of this paper is to study the P(VDF/TrFE) morphologies and crystalline lamellae orientation dependence on substrates. We chose the potassium chloride (KCl), Sodium Chloride (NaCl) and Potassium Bromide (KBr) with the [110] direction and the highly ordered pyrolytic graphite (HOPG) substrates because they present different crystallographic structures. The atomic force microscopy is used for imaging P(VDF/TrFE) morphologies with nanometer resolution and determining the surface roughness. The analysis of the AFM topography images revealed that the P(VDF/TrFE) film has, almost, the same texture on KCl, NaCl or on KBr substrates and their crystalline lamellae had grown in two preferred orientations. Unlike the HOPG substrate, their crystalline lamellae were entangled, randomly oriented and positioned adjacent to each other. The growth texture of the P(VDF/TrFE) copolymer showed experimentally a strong dependence on substrate types. Since the P(VDF/TrFE) is ferroelectric, piezoelectric and pyroelectric, this finding may lead to potential applications.
Effects of Fe nanoparticles on bacterial growth and biosurfactant production
NASA Astrophysics Data System (ADS)
Liu, Jia; Vipulanandan, Cumaraswamy; Cooper, Tim F.; Vipulanandan, Geethanjali
2013-01-01
Environmental conditions can have a major impact on bacterial growth and production of secondary products. In this study, the effect of different concentrations of Fe nanoparticles on the growth of Serratia sp. and on its production of a specific biosurfactant was investigated. The Fe nanoparticles were produced using the foam method, and the needle-shaped nanoparticles were about 30 nm in diameter. It was found that Fe nanoparticles can have either a positive or a negative impact on the bacterial growth and biosurfactant production, depending on their concentration. At 1 mg/L of Fe nanoparticle concentration the bacterial growth increased by 57 % and biosurfactant production increased by 63 %. When the Fe nanoparticle concentration was increased to 1 g/L, the bacterial growth decreased by 77 % and biosurfactant activity was undetectable. The biosurfactant itself was not directly affected by Fe nanoparticles over the range of concentrations studied, indicating that the observed changes in biosurfactant activity resulted indirectly from the effect of nanoparticles on the bacteria. These negative effects with nanoparticle exposures were temporary, demonstrated by the restoration of biosurfactant activity when the bacteria initially exposed to Fe nanoparticles were allowed to regrow in the absence of nanoparticles. Finally, the kinetics of bacterial growth and biosurfactant production were modeled. The model's predictions agreed with the experimental results.
Rahnama, H; Sattarzadeh, A; Kazemi, F; Ahmadi, N; Sanjarian, F; Zand, Z
2016-11-15
Recent updates on Magnetic Nano-Particles (MNPs) based separation of nucleic acids have received more attention due to their easy manipulation, simplicity, ease of automation and cost-effectiveness. It has been indicated that DNA molecules absorb on solid surfaces via hydrogen-bonding, and hydrophobic and electrostatic interactions. These properties highly depend on the surface condition of the solid support. Therefore, surface modification of MNPs may enhance their functionality and specification. In the present study, we functionalized Fe3O4 nano-particle surface utilizing SiO2 and TiO2 layer as Fe3O4/SiO2 and Fe3O4/SiO2/TiO2 and then compare their functionality in the adsorption of plasmid DNA molecules with the naked Fe3O4 nano-particles. The result obtained showed that the purity and amount of DNA extracted by Fe3O4 coated by SiO2 or SiO2/TiO2 were higher than the naked Fe3O4 nano-particles. Furthermore, we obtained pH 8 and 1.5 M NaCl as an optimal condition for desorption of DNA from MNPs. The result further showed that, 0.2 mg nano-particle and 10 min at 55 °C are the optimal conditions for DNA desorption from nano-particles. In conclusion, we recommended Fe3O4/SiO2/TiO2 as a new MNP for separation of DNA molecules from biological sources. Copyright © 2016 Elsevier Inc. All rights reserved.
Semin, B. K.; Davletshina, L. N.; Seibert, M.; ...
2017-11-11
Extraction of Mn cations from the oxygen-evolving complex (OEC) of Ca-depleted PSII membranes (PSII[-Ca,4Mn]) by reductants like hydroquinone (H 2Q) occurs with lower efficiency at acidic pH (2Mn/reaction center [RC] are extracted at pH 5.7) than at neutral pH (3Mn/RC are extracted at pH 6.5) [Semin et al. Photosynth. Res. 125 (2015) 95]. Fe(II) also extracts Mn cations from PSII(-Ca,4Mn), but only 2Mn/RC at pH 6.5, forming a heteronuclear 2Mn/2Fe cluster [Semin and Seibert, J. Bioenerg. Biomembr. 48 (2016) 227]. Here we investigated the efficiency of Mn extraction by Fe(II) at acidic pH and found that Fe(II) cations can extractmore » only 1Mn/RC from PSII(-Ca,4Mn) membranes at pH 5.7, forming a 3Mn/1Fe cluster.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Semin, B. K.; Davletshina, L. N.; Seibert, M.
Extraction of Mn cations from the oxygen-evolving complex (OEC) of Ca-depleted PSII membranes (PSII[-Ca,4Mn]) by reductants like hydroquinone (H 2Q) occurs with lower efficiency at acidic pH (2Mn/reaction center [RC] are extracted at pH 5.7) than at neutral pH (3Mn/RC are extracted at pH 6.5) [Semin et al. Photosynth. Res. 125 (2015) 95]. Fe(II) also extracts Mn cations from PSII(-Ca,4Mn), but only 2Mn/RC at pH 6.5, forming a heteronuclear 2Mn/2Fe cluster [Semin and Seibert, J. Bioenerg. Biomembr. 48 (2016) 227]. Here we investigated the efficiency of Mn extraction by Fe(II) at acidic pH and found that Fe(II) cations can extractmore » only 1Mn/RC from PSII(-Ca,4Mn) membranes at pH 5.7, forming a 3Mn/1Fe cluster.« less
Galvanostatically deposited Fe: MnO2 electrodes for supercapacitor application
NASA Astrophysics Data System (ADS)
Dubal, D. P.; Kim, W. B.; Lokhande, C. D.
2012-01-01
The present investigation describes the addition of iron (Fe) in order to improve the supercapacitive properties of MnO2 electrodes using galvanostatic mode. These amorphous worm like Fe: MnO2 electrodes are characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), Fourier transform infrared spectroscopy (FTIR) and wettability test. The supercapacitive properties of MnO2 and Fe: MnO2 electrodes are investigated using cyclic voltammetry, chronopotentiometry and impedance techniques. It is seen that the supercapacitance increases with increase in Fe doping concentration and achieved a maximum of 173 F g-1 at 2 at% Fe doping. The maximum supercapacitance obtained is 218 F g-1 for 2 at% Fe: MnO2 electrode. This hydrous binary oxide exhibited ideal capacitive behavior with high reversibility and high pulse charge-discharge property between -0.1 and +0.9 V/SCE in 1 M Na2SO4 electrolyte indicating a promising electrode material for electrochemical supercapacitors.
Nano-glass ceramic cathodes for Li+/Na+ mixed-ion batteries
NASA Astrophysics Data System (ADS)
He, Wen; Zhang, Xudong; Jin, Chao; Wang, Yaoyao; Mossin, Susanne; Yue, Yuanzheng
2017-02-01
Electrode materials can display superior electrochemical performances and behavior via the nanoscale design. Here, the low-temperature synthesis of nano-glass ceramics (NGCs) is based on inheriting the network structure of yeast polyphosphate metabolism. The NGCs-3 sample synthesized with a molar ratio of Fe/V = 7:6 is composed of nano-domains of semiconducting oxide glass (Li2O-Na2O-Fe2O3-V2O5-P2O5, LNFVP), nanocrystalline particles (Li9Fe3P8O29, Li0.6V1.67O3.67 and VOPO4), and nanopores connected by interfaces. We have clarified the mixing ion transport mechanism and the electrochemical reactions, and the influences of molar ratio of Fe/V on the structure and electrochemical properties of NGCs. This nanoscale design offers a new possibility improved the electrochemical performances of Li+/Na+ mixed-ion batteries (LNMIBs). The NGCs-3 electrode exhibits a higher discharge capacity (145 mAh g-1) and energy storage density (525 Whkg-1) at 5C, and the capacity retention reaches 70% after 1000 cycles. More importantly, we have established a direct relationship between the electrochemical kinetics and nanostructure of NGC electrode materials.
NASA Astrophysics Data System (ADS)
Peng, Yiya; Xi, Guangcheng; Zhong, Chang; Wang, Linping; Lu, Jun; Sun, Ximeng; Zhu, Lu; Han, Qikun; Chen, Lin; Shi, Lei; Sun, Mei; Li, Qianrong; Yu, Min; Yin, Mingwen
2009-08-01
Tochilinite represents a mineral group of ordered mixed-layer structures containing alternating Fe 1-xS layers with mackinawite-like structure and metal hydroxide layers with Mg(OH) 2-like structure. In this article, we report the preparation of a series of tochilinite-originated (or Fe 1-xS-based) intercalation compounds (ICs). According to their preparation procedures, these ICs can be divided into four kinds. The first kind of IC was sodium tochilinite (Na-tochilinite), which was prepared by the hydrothermal reaction of metallic Fe particles with concentrated Na 2S·9H 2O aqueous solutions. The hydroxide layer of the Na-tochilinite was a mixed hydroxide of Na + ions along with a certain amount of Fe 2+ ions. When the hydroxide layer of the Na-tochilinite completely dissolved in aqueous solutions, a Fe-deficient mackinawite-like phase Fe 1-xS was obtained, which was probably an electron-deficient p-type conductor. The second kind of ICs was prepared by 'low-temperature direct intercalation in aqueous solutions, using Na-tochilinite as a parental precursor. When the Na-tochilinite was ultrasonicated in aqueous solutions containing Lewis basic complexing agents (like NH 3, N 2H 4, 2,2'-bipyridine (bipy), and 1,10-phenanthroline (phen)), the Na + ions of the Na-tochilinite were removed and the Lewis basic complexing agents entered the hydroxide layer of the Na-tochilinite and became coordinated with the Fe 2+ ions, and the second kind of ICs was thus produced. The second kind of ICs includes NH 3 IC, N 2H 4 IC, N 2H 4-NH 3 IC, [Fe(bipy) 3] 2+-containing IC and [Fe(phen) 3] 2+-containing IC. The third kind of ICs, which includes NH 3 IC, N 2H 4-NH 3 IC and N 2H 4-LiOH (NaOH) IC, was prepared by the hydrothermal reaction of metallic Fe particles with (NH 4) 2S aqueous solution, S (elemental) + N 2H 4·H 2O aqueous solution, and S + N 2H 4·H 2O + LiOH (NaOH) aqueous solution, respectively. The third kind of ICs has a close relationship with the second kind of ICs both
Chen, Desheng; Zhao, Longsheng; Liu, Yahui; Qi, Tao; Wang, Jianchong; Wang, Lina
2013-01-15
A novel process for recovering iron, titanium, and vanadium from titanomagnetite concentrates has been developed. In the present paper, the treatment of rich titanium-vanadium slag by NaOH molten salt roasting and water leaching processes is investigated. In the NaOH molten salt roasting process, the metallic iron is oxidized into ferriferous oxide, MgTi(2)O(5) is converted to NaCl-type structure of Na(2)TiO(3), and M(3)O(5) (M=Ti, Mg, Fe) is converted to α-NaFeO(2)-type structure of NaMO(2), respectively. Roasting temperature and NaOH-slag mass ratio played a considerable role in the conversion of titanium in the rich titanium-vanadium slag during the NaOH molten salt roasting process. Roasting at 500 °C for 60 min and a 1:1 NaOH-slag mass ratio produces 96.3% titanium conversion. In the water leaching process, the Na(+) was exchanged with H(+), Na(2)TiO(3) is converted to undefined structure of H(2)TiO(3), and NaMO(2) is converted to α-NaFeO(2)-type structure of HMO(2). Under the optimal conditions, 87.3% of the sodium, 42.3% of the silicon, 43.2% of the aluminum, 22.8% of the manganese, and 96.6% of the vanadium are leached out. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Le, Giang H.; Ha, Anh Q.; Nguyen, Quang K.; Nguyen, Kien T.; Dang, Phuong T.; Tran, Hoa T. K.; Vu, Loi D.; Nguyen, Tuyen V.; Lee, Gun D.; Vu, Tuan A.
2016-10-01
The nano Fe-Fe3O4/graphene oxide (GO) was successfully synthesized by the precipitation method and followed by chemical reduction using FeCl3 as iron sources and NaBH4 as reducing agent. The products were characterized by x-ray diffraction (XRD), Fourier transform infrared spectroscopy, transmission electron microscopy (TEM), BET, x-ray photoelectron spectroscopy (XPS) and VMS. From the obtained XRD and XPS results, it revealed the formation of both Fe and Fe3O4 nano particles on GO surface. TEM images showed that both Fe3O4/GO and Fe-Fe3O4/GO had small particle size of 10-20 nm and uniform size distribution. Fe3O4/GO and Fe-Fe3O4/GO were used as adsorbents for removal of Cd2+ and Cu2+ ions from aqueous solution. Maximum adsorption capacity (Q max) of Fe-Fe3O4/GO for Cu2+ and Cd2+ are 90.0 mg g-1 and 108.6 mg g-1, respectively. These values are much higher as compared to those of Fe3O4/GO as well as those reported in the literature. Additionally, this novel adsorbent can be reused by washing with diluted Hcl solution and easily recovered by applying the magnetic field. The Cd2+ adsorption isotherm fits better for the Langmuir model that of the Freundlich model and it obeys the pseudo-second order kinetic equation.
High-Frequency Fe-H Vibrations in a Bridging Hydride Complex Characterized by NRVS and DFT.
Pelmenschikov, Vladimir; Gee, Leland B; Wang, Hongxin; MacLeod, K Cory; McWilliams, Sean F; Skubi, Kazimer L; Cramer, Stephen P; Holland, Patrick L
2018-05-30
High-spin iron species with bridging hydrides have been detected in species trapped during nitrogenase catalysis, but there are few general methods of evaluating Fe-H bonds in high-spin multinuclear iron systems. An 57 Fe nuclear resonance vibrational spectroscopy (NRVS) study on an Fe(μ-H) 2 Fe model complex reveals Fe-H stretching vibrations for bridging hydrides at frequencies greater than 1200 cm -1 . These isotope-sensitive vibrational bands are not evident in infrared (IR) spectra, showing the power of NRVS for identifying hydrides in this high-spin iron system. Complementary density functional theory (DFT) calculations elucidate the normal modes of the rhomboidal iron hydride core. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Thermoelectric power of Fe-Zr and Co-Zr metallic glasses
NASA Astrophysics Data System (ADS)
From, M.; Muir, W. B.
1986-03-01
The thermopower of Fe1-xZrx (0.57
NASA Astrophysics Data System (ADS)
Hu, X. C.; Capobianchi, A.; Gallagher, R.; Hadjipanayis, G. C.
2014-05-01
In this work, a new green chemical strategy for the synthesis of L10 FePt alloy nanoparticles is reported. The precursor is a polycrystalline molecular complex (Fe(H2O)6PtCl6), in which Fe and Pt atoms are arranged on alternating planes and milled with NaCl to form nanocrystals. Then the mixture was annealed under reducing atmosphere (5% H2 and 95% Ar) at temperatures varying from 350 °C to 500 °C for 2 h with a heating rate of 5 °C/min. After the reduction, the mixture was washed with water to remove the NaCl and L10 FePt nanoparticles were obtained. The X-Ray Diffraction pattern showed the presence of the characteristic peaks of the fct phase of FePt nanoparticles. Influence of precursor/NaCl ratio and ball milling time on particle size was investigated. Transmission electron microscopy images revealed that smaller precursor/NaCl ratio (10 mg/20 g) and longer milling time (15 h) lead to smaller particle size and narrower size distribution. Milling time does not influence the coercivity much but the decrease of the amount of precursor leads to a decrease of coercivity from 10.8 kOe to 4.8 kOe.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhao, Linduo; Dong, Hailiang; Kukkadapu, Ravi K.
Nitrate contamination in soils, sediments, and water bodies is a significant issue. Although much is known about nitrate degradation in these environments, especially via microbial pathways, a complete understanding of all degradation processes, especially in clay mineral-rich soils, is still lacking. The objective of this study was to study the potential of removing nitrate contaminant using structural Fe(II) in clay mineral nontronite. Specifically, the coupled processes of microbial oxidation of Fe(II) in microbially reduced nontronite (NAu-2) and nitrate reduction by Pseudogulbenkiania species strain 2002 was investigated. Bio-oxidation experiments were conducted in bicarbonate-buffered medium under both growth and nongrowth conditions. Themore » extents of Fe(II) oxidation and nitrate reduction were measured by wet chemical methods. X-ray diffraction (XRD), scanning and transmission electron microscopy (SEM and TEM), and 57Fe-Mössbauer spectroscopy were used to observe mineralogical changes associated with Fe(III) reduction and Fe(II) oxidation in nontronite. The bio-oxidation extent under growth and nongrowth conditions reached 93% and 57%, respectively. Over the same time period, nitrate was completely reduced under both conditions to nitrogen gas (N2), via an intermediate product nitrite. Magnetite was a mineral product of nitrate-dependent Fe(II) oxidation, as evidenced by XRD data and TEM diffraction patterns. The results of this study highlight the importance of iron-bearing clay minerals in the global nitrogen cycle with potential applications in nitrate removal in soils.« less
Quasi-solid state rechargeable Na-CO2 batteries with reduced graphene oxide Na anodes.
Hu, Xiaofei; Li, Zifan; Zhao, Yaran; Sun, Jianchao; Zhao, Qing; Wang, Jianbin; Tao, Zhanliang; Chen, Jun
2017-02-01
Na-CO 2 batteries using earth-abundant Na and greenhouse gas CO 2 are promising tools for mobile and stationary energy storage, but they still pose safety risks from leakage of liquid electrolyte and instability of the Na metal anode. These issues result in extremely harsh operating conditions of Na-CO 2 batteries and increase the difficulty of scaling up this technology. We report the development of quasi-solid state Na-CO 2 batteries with high safety using composite polymer electrolyte (CPE) and reduced graphene oxide (rGO) Na anodes. The CPE of PVDF-HFP [poly(vinylidene fluoride- co -hexafluoropropylene)]-4% SiO 2 /NaClO 4 -TEGDME (tetraethylene glycol dimethyl ether) has high ion conductivity (1.0 mS cm -1 ), robust toughness, a nonflammable matrix, and strong electrolyte-locking ability. In addition, the rGO-Na anode presents fast and nondendritic Na + plating/stripping (5.7 to 16.5 mA cm -2 ). The improved kinetics and safety enable the constructed rGO-Na/CPE/CO 2 batteries to successfully cycle in wide CO 2 partial pressure window (5 to 100%, simulated car exhaust) and especially to run for 400 cycles at 500 mA g -1 with a fixed capacity of 1000 mA·hour g -1 in pure CO 2 . Furthermore, we scaled up the reversible capacity to 1.1 A·hour in pouch-type batteries (20 × 20 cm, 10 g, 232 Wh kg -1 ). This study makes quasi-solid state Na-CO 2 batteries an attractive prospect.
Quasi–solid state rechargeable Na-CO2 batteries with reduced graphene oxide Na anodes
Hu, Xiaofei; Li, Zifan; Zhao, Yaran; Sun, Jianchao; Zhao, Qing; Wang, Jianbin; Tao, Zhanliang; Chen, Jun
2017-01-01
Na-CO2 batteries using earth-abundant Na and greenhouse gas CO2 are promising tools for mobile and stationary energy storage, but they still pose safety risks from leakage of liquid electrolyte and instability of the Na metal anode. These issues result in extremely harsh operating conditions of Na-CO2 batteries and increase the difficulty of scaling up this technology. We report the development of quasi–solid state Na-CO2 batteries with high safety using composite polymer electrolyte (CPE) and reduced graphene oxide (rGO) Na anodes. The CPE of PVDF-HFP [poly(vinylidene fluoride-co-hexafluoropropylene)]–4% SiO2/NaClO4–TEGDME (tetraethylene glycol dimethyl ether) has high ion conductivity (1.0 mS cm−1), robust toughness, a nonflammable matrix, and strong electrolyte-locking ability. In addition, the rGO-Na anode presents fast and nondendritic Na+ plating/stripping (5.7 to 16.5 mA cm−2). The improved kinetics and safety enable the constructed rGO-Na/CPE/CO2 batteries to successfully cycle in wide CO2 partial pressure window (5 to 100%, simulated car exhaust) and especially to run for 400 cycles at 500 mA g−1 with a fixed capacity of 1000 mA·hour g−1 in pure CO2. Furthermore, we scaled up the reversible capacity to 1.1 A·hour in pouch-type batteries (20 × 20 cm, 10 g, 232 Wh kg−1). This study makes quasi–solid state Na-CO2 batteries an attractive prospect. PMID:28164158
Fe Isotope Fractionation During Fe(III) Reduction to Fe(II)
NASA Astrophysics Data System (ADS)
Baker, E. A.; Greene, S.; Hardin, E. E.; Hodierne, C. E.; Rosenberg, A.; John, S.
2014-12-01
The redox chemistry of Fe(III) and Fe(II) is tied to a variety of earth processes, including biological, chemical, or photochemical reduction of Fe(III) to Fe(II). Each process may fractionate Fe isotopes, but the magnitudes of the kinetic isotope effects have not been greatly explored in laboratory conditions. Here, we present the isotopic fractionation of Fe during reduction experiments under a variety of experimental conditions including photochemical reduction of Fe(III) bound to EDTA or glucaric acid, and chemical reduction of Fe-EDTA by sodium dithionite, hydroxylamine hydrochloride, Mn(II), and ascorbic acid. A variety of temperatures and pHs were tested. In all experiments, Fe(III) bound to an organic ligand was reduced in the presence of ferrozine. Ferrozine binds with Fe(II), forming a purple complex which allows us to measure the extent of reaction. The absorbance of the experimental solutions was measured over time to determine the Fe(II)-ferrozine concentration and thus the reduction rate. After about 5% of the Fe(III) was reduced, Fe(III)-EDTA and Fe(II)-ferrozine were separated using a C-18 column to which Fe(II)-ferrozine binds. The Fe(II) was eluted and purified through anion exchange chromatography for analysis of δ56Fe by MC-ICPMS. Preliminary results show that temperature and pH both affect reduction rate. All chemical reductants tested reduce Fe(III) at a greater rate as temperature increases. The photochemical reductant EDTA reduces Fe(III) at a greater rate under more acidic conditions. Comparison of the two photochemical reductants shows that glucaric acid reduces Fe(III) significantly faster than EDTA. For chemical reduction, the magnitude of isotopic fractionation depends on the reductant used. Temperature and pH also affect the isotopic fractionation of Fe. Experiments using chemical reductants show that an increase in temperature at low temperatures produces lighter 56Fe ratios, while at high temperatures some reductants produce heavier
Ultra-low cost and highly stable hydrated FePO4 anodes for aqueous sodium-ion battery
NASA Astrophysics Data System (ADS)
Wang, Yuesheng; Feng, Zimin; Laul, Dharminder; Zhu, Wen; Provencher, Manon; Trudeau, Michel L.; Guerfi, Abdelbast; Zaghib, Karim
2018-01-01
The growing demands for large-scale energy storage devices have put a spotlight on aqueous sodium-ion batteries, which possess a number of highly desirable features, such as sodium abundance, low cost and safety over organic electrolytes. While lots of cathode materials were reported, only few candidate materials like active carbon and NaTi2(PO4)3 were proposed as anodes. It is a long-standing common knowledge that the low cost, non-toxicity, and highly reversible FePO4·2H2O is known as an attractive cathode material for non-aqueous lithium- and sodium-ion batteries, but we demonstrate for the first time that nano-size non-carbon coated amorphous FePO4·2H2O can be used as the anode for an aqueous sodium-ion battery. Its optimum operating voltage (∼2.75 V vs. Na+/Na) avoids hydrogen evolution. The capacity is as high as 80 mAh/g at a rate of 0.5 C in a three-electrode system. The full cell, using the Na0.44MnO2 as cathode, maintained 90% of the capacity at 300 cycles at a rate of 3 C. The calculations also show that its volume change during the intercalation of Na ions is below 2%. Its low cost, high safety, along with its outstanding electrochemical performance makes amorphous FePO4·2H2O a promising anode material for aqueous sodium-ion batteries.
NASA Astrophysics Data System (ADS)
Khomyakov, A. P.; Nechelyustov, G. N.; Rastsvetaeva, R. K.; Rozenberg, K. A.
2013-12-01
This paper presents a description of a new zirconosilicate of the eudialyte group, which was named davinciite in honor of Leonardo da Vinci (1452-1519), a famous Italian scientist, painter, sculptor and architect. The new mineral has been found in hyperagpaitic pegmatite at the Rasvumchorr Mountain, Khibiny Pluton, Kola Peninsula, as relict inclusions, up to 1-2 mm in size in a rastsvetaevite matrix. It is associated with nepheline, sodalite, potassium feldspar, delhayelite, aegirine, shcherbakovite, villiaumite, nitrite, nacaphite, rasvumite, and djerfisherite. Davinciite is dark lavender and transparent, with a vitreous luster and white streak. The new mineral is brittle, with conchoidal fracture; the Mohs' hardness is 5. No indications of cleavage or parting were observed. The measured density is 2.82(2) g/cm3 (volumetric method); the calculated density is 2.848 g/cm3. Davinciite is optically uniaxial, positive; ω = 1.603(2), ɛ = 1.605(2). It is nonpleochroic and nonfluorescent in UV light. The new mineral slowly breaks down and gelates in 50% HCl and HNO3. It is trigonal, space group R3m. The unit-cell dimensions are a = 14.2956(2), c = 30.0228(5) Å, V=5313.6(2) Å3. The strongest reflections in the X-ray powder diffraction pattern [ d, Å ( I, %) ( hkl)] are as follows: 2.981(100)(315), 2.860(96)(404), 4.309(66)(205), 3.207(63)(208), 6.415(54)(104), 3.162(43)(217). The chemical composition (electron microprobe, H2O calculated from X-ray diffraction data) is as follows, wt %: 12.69 Na2O, 3.53 K2O, 11.02 CaO, 0.98 SrO, 0.15 BaO, 5.33 FeO, 0.37 MnO, 0.07 Al2O3, 51.20 SiO2, 0.39 TiO2, 11.33 ZrO2, 0.21HfO2, 0.09 Nb2O5, 1.89 Cl, 0.93H2O, -O = Cl2 0.43; total is 99.75. The empirical formula calculated on the basis of Si + Al + Zr + Hf + Ti + Nb = 29 ( Z = 3) is (Na1l.75Sr0.29Ba0.03)Σ12.07(K2.28Na0.72)Σ3Ca5.99(Fe2.26Mn0.16)Σ2.42(Zr2.80Ti0.15Hf0.03Nb0.02) Σ3(Si1.96Al0.04)Σ2[Si3O9]2 [Si9O27]2[(OH)1.42O0.58]Σ2[Cl1.62(H2O)0.38]Σ2 · 0.48H2O. The simplified
Pandelia, Maria-Eirini; Nitschke, Wolfgang; Infossi, Pascale; Giudici-Orticoni, Marie-Thérèse; Bill, Eckhard; Lubitz, Wolfgang
2011-04-12
Iron-sulfur clusters are versatile electron transfer cofactors, ubiquitous in metalloenzymes such as hydrogenases. In the oxygen-tolerant Hydrogenase I from Aquifex aeolicus such electron "wires" form a relay to a diheme cytb, an integral part of a respiration pathway for the reduction of O(2) to water. Amino acid sequence comparison with oxygen-sensitive hydrogenases showed conserved binding motifs for three iron-sulfur clusters, the nature and properties of which were unknown so far. Electron paramagnetic resonance spectra exhibited complex signals that disclose interesting features and spin-coupling patterns; by redox titrations three iron-sulfur clusters were identified in their usual redox states, a [3Fe4S] and two [4Fe4S], but also a unique high-potential (HP) state was found. On the basis of (57)Fe Mössbauer spectroscopy we attribute this HP form to a superoxidized state of the [4Fe4S] center proximal to the [NiFe] site. The unique environment of this cluster, characterized by a surplus cysteine coordination, is able to tune the redox potentials and make it compliant with the [4Fe4S](3+) state. It is actually the first example of a biological [4Fe4S] center that physiologically switches between 3+, 2+, and 1+ oxidation states within a very small potential range. We suggest that the (1 + /2+) redox couple serves the classical electron transfer reaction, whereas the superoxidation step is associated with a redox switch against oxidative stress.
Nd-Fe-B/Sm-M/Nd-M (M = Fe, Co, Ti, Cu, Zr) hybrid magnets with improved thermal stability
NASA Astrophysics Data System (ADS)
Grigoras, M.; Lostun, M.; Urse, M.; Borza, F.; Chiriac, H.; Lupu, N.
2018-02-01
Hybrid magnets of Nd12Fe82B6(2:14:1-phase)/Nd9.4Fe59Co25.3Ti6.3(3:29-phase) and Nd12Fe82B6/Sm11.1Co65.8Fe8.9Cu10.7Zr3.5(2:17-phase) with different weight ratio have been prepared by spark plasma sintering pressing technique from ball-milled powders obtained from melt-spun ribbons. Influence of the ratio between the two phases on the magnetic properties and thermal stability of the hybrid magnets was studied. It has been found that the ratio has a remarkable influence, especially on the thermal stability of the bulk magnets. However, the magnetic properties of such type of hybrid magnets result not only from the type and ratio of components but also from the interaction between them. It was found that in NdFeB/3:29 hybrid magnets with 15% content of 3:29-phase, the temperature coefficients of remanence (α) and of coercivity (β) are improved from -0.095 to -0.082 (%/°C) and from -0.57 to -0.47 (%/°C), respectively, as compared to the Nd2Fe14B single-phase counterpart. While for the NdFeB/2:17 hybrid magnets the content of 2:17-phase is not significantly influencing the temperature coefficient of induction (α), the temperature coefficient of °C (β) increases up to -0.41 (%/°C) for 10% content of 2:17-phase. The increase in the reversible temperature coefficients of hybrid magnets indicate a remarkable improvement of their thermal stability.
Effect of cations (Na +, Ca 2+, Fe 3+) on the conductivity of a Nafion membrane
NASA Astrophysics Data System (ADS)
Hongsirikarn, Kitiya; Goodwin, James G.; Greenway, Scott; Creager, Stephen
It is known that trace amounts of cations have a detrimental effect on the liquid-phase conductivity of perfluorosulfonated membranes at room temperature. However, the conditions used were very different from typical fuel cell conditions. Recent research has shown the impact of conductivity measurement conditions on NH 4 + contaminated membranes. In this study, the impact of nonproton-containing cations (M n+ = Na +, Ca 2+, and Fe 3+) on Nafion membrane (N-211) conductivity was investigated both in deionized (DI) water at room temperature (∼25 °C) and in the gas phase at 80 °C under conditions similar to in a PEMFC. These conductivities were compared with those of Nafion membranes contaminated with NH 4 + ions. Under the same conditions, the conductivity of a metal cationic-contaminated membrane having the same proton composition (yH+m) was similar, but slightly lower than that of an NH 4 +-contaminated membrane. The conductivity in the purely H +-form of N-211 was more than 12 times greater than the M n+-form form at 25 °C in DI water. At 80 °C, the gas-phase conductivity was 6 times and 125 times greater at 100%RH and 30%RH, respectively. The quantitative results for conductivity and activation energy of contaminated membranes under typical fuel cell conditions are reported here for the first time.
Proton and Fe Ion-Induced Early and Late Chromosome Aberrations in Different Cell Types
NASA Technical Reports Server (NTRS)
Wu, Honglu; Lu, Tao; Yeshitla, Samrawit; Zhang, Ye; Kadhim, Munira
2016-01-01
An early stage of cancer development is believed to be genomic instability (GI) which accelerates the mutation rate in the descendants of the cells surviving radiation exposure. To investigate GI induced by charged particles, we exposed human lymphocytes, human fibroblast cells, and human mammary epithelial cells to high energy protons and Fe ions. In addition, we also investigated GI in bone marrow cells isolated from CBA/CaH (CBA) and C57BL/6 (C57) mice, by analyzing cell survival and chromosome aberrations in the cells after multiple cell divisions. Results analyzed so far from the experiments indicated different sensitivities to charged particles between CBA/CaH (CBA) and C57BL/6 (C57) mouse strains, suggesting that there are two main types of response to irradiation: 1) responses associated with survival of damaged cells and 2) responses associated with the induction of non-clonal chromosomal instability in the surviving progeny of stem cells. Previously, we reported that the RBE for initial chromosome damages was high in human lymphocytes exposed to Fe ions. Our results with different cell types demonstrated different RBE values between different cell types and between early and late chromosomal damages. This study also attempts to offer an explanation for the varying RBE values for different cancer types.
Preparation and photo-catalytic activities of FeOOH/ZnO/MMT composite
NASA Astrophysics Data System (ADS)
Zhou, Yao; Liu, Fusheng; Yu, Shitao
2015-11-01
Montmorillonite (MMT) was used as the carrier for synthesis of FeOOH and FeOOH/ZnO nano-material. FeOOH and FeOOH/ZnO were synthesized by the aqueous solutions of Fe(NO3)3-HNO3 and Zn(NO3)2-NaOH/Fe(NO3)3-HNO3 with the carrier of montmorillonite respectively. Transmission electron-microscopy (TEM) and X-ray diffraction (XRD) were used to study the morphology form and structure of the nano-materials. TEM was also used to demonstrate that FeOOH/ZnO can be formed with the appropriate interface. According to UV-vis absorption spectra, FeOOH/ZnO has a better response to visible light than FeOOH and ZnO, which indicates there is some coupling effect between FeOOH and ZnO. Pentachlorophenol (PCP) was used as a representative organic pollutant to evaluate the photo-catalytic efficiency of the FeOOH/ZnO and FeOOH catalysts in visible light (λ > 400 nm). The photo-catalytic efficiency of FeOOH/ZnO/MMT is better than FeOOH/MMT. According to FTIR, changes of pH and TOC, the degradation mechanism was also discussed. PCP was degraded to aromatic ketone and chloro-hydrocarbon compounds and then to H2O, CO2 and HCl.
Chen, Chunmei; Thompson, Aaron
2018-01-16
Abiotic Fe(II) oxidation by O 2 commonly occurs in the presence of mineral sorbents and organic matter (OM) in soils and sediments; however, this tertiary system has rarely been studied. Therefore, we examined the impacts of mineral surfaces (goethite and γ-Al 2 O 3 ) and organic matter [Suwannee River fulvic acid (SRFA)] on Fe(II) oxidation rates and the resulting Fe(III) (oxyhydr)oxides under 21 and 1% pO 2 at pH 6. We tracked Fe dynamics by adding 57 Fe(II) to 56 Fe-labeled goethite and γ-Al 2 O 3 and characterized the resulting solids using 57 Fe Mössbauer spectroscopy. We found Fe(II) oxidation was slower at low pO 2 and resulted in higher-crystallinity Fe(III) phases. Relative to oxidation of Fe(II) (aq) alone, both goethite and γ-Al 2 O 3 surfaces increased Fe(II) oxidation rates regardless of pO 2 levels, with goethite being the stronger catalyst. Goethite surfaces promoted the formation of crystalline goethite, while γ-Al 2 O 3 favored nano/small particle or disordered goethite and some lepidocrocite; oxidation of Fe(II) aq alone favored lepidocrocite. SRFA reduced oxidation rates in all treatments except the mineral-free systems at 21% pO 2 , and SRFA decreased Fe(III) phase crystallinity, facilitating low-crystalline ferrihydrite in the absence of mineral sorbents, low-crystalline lepidocrocite in the presence of γ-Al 2 O 3 , but either crystalline goethite or ferrihydrite when goethite was present. This work highlights that the oxidation rate, the types of mineral surfaces, and OM control Fe(III) precipitate composition.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wade, C.S.; Park, H.G.; Hoagland, R.G.
This paper considers the relation between microstructure and mechanical properties of two Ni-base and two Fe-base Boride-Dispersion-Strengthened Microcrystalline (BDSM) alloys. In these very fine grained materials the borides were primarily Cr, Mo, and MoFe in a fcc matrix in three of the alloys, and a bcc in one of the Fe-base alloys. Strength data and resistance to stress corrosion cracking are reported and, in the latter case, extraordinary resistance to SCC in NaCl, Na{sub 2}S{sub 2}O{sub 3} and boiling MgCl{sub 2} environments was observed in every case. The fcc BDSM alloys also demonstrated excellent thermal stability in terms of strengthmore » and fracture roughness up to 1000 C. The bcc alloy suffered severe loss of toughness. The fracture mode involved ductile rupture in all alloys and they display a reasonably linear correlation between K{sub Ic} and the square root of particle spacing.« less
Studies of defects in Bi2Fe4O9 using Mössbauer spectroscopy
NASA Astrophysics Data System (ADS)
Panda, Alaka; Govindaraj, R.; Vinod, K.; Amarendra, G.
2018-05-01
Effect of oxygen vacancies on the stability and magnetic properties of Bi2Fe4O9 has been addressed in a detailed manner using Mössbauer spectroscopy along with magnetization studies. This is studied mainly based on the variations in Mössbauer hyperfine parameters due to the changes in the local structure and magnetic properties at 57Fe atoms in Bi2Fe4O9 which are observed to be significantly influenced due to vacuum annealing. Oxygen vacancies concomitantly result in the formation of iron associated antiferromagnetic phase preferably at the boundaries of the grains of Bi2Fe4O9. Growth of these phases is observed to be strongly dependent upon subsequent air annealing treatments of this system.
The role of defects in Fe(II) – goethite electron transfer
DOE Office of Scientific and Technical Information (OSTI.GOV)
Andrade de Notini, Luiza; Latta, Drew; Neumann, Anke
Despite accumulating experimental evidence for Fe(II)-Fe(III) oxide electron transfer, computational chemical calculations suggest that oxidation of sorbed Fe(II) is not energetically feasible unless defects are present. Here we used isotope specific 57Fe Mössbauer spectroscopy to investigate whether Fe(II)-goethite electron transfer is influenced by defects. Specifically, we heated the mineral to try to anneal the goethite surface and ground goethite to try to create defects. We found that heating goethite results in less oxidation of sorbed Fe(II) by goethite. When goethite was re-ground after heating, electron transfer was partially restored. X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) ofmore » heated and ground goethite confirm that heating and grinding alter the surface structure of the goethite. We propose that the heating process annealed the surface and decreased the number of sites where electron transfer could occur. Our experimental findings suggest that surface defects play an important role in Fe(II)-goethite electron transfer as suggested by computational calculations. Our finding that defects influence heterogeneous Fe(II)-goethite electron transfer has important implications for Fe(II) driven recrystallization of Fe oxides, as well as X and Y.« less
MnFe2O4: Synthesis, morphology and electrochemical properties
NASA Astrophysics Data System (ADS)
Kulkarni, Shrikant; Thombare, Balu; Patil, Shankar
2017-05-01
MnFe2O4 has been synthesized by simple ammonia assisted co-precipitation method to obtain nanocrystalline powder. X-ray diffraction studies confirmed its crystallinity and phase purity. The MnFe2O4 calcined at 1000°C for 4 h has spinel crystal structure with Fd3m space group and lattice constant 8.511 Å. The electrode was prepared by dip coating method on stainless steel substrate and fired at 600°C for 2 h. Random shape grains of 0.2 to 1.5 micron with pores of 1-2 micron dimensions were observed in SEM images. The electrochemical studies of MnFe2O4 were carried out with 1 mole Na2SO4 electrolyte. The MnFe2O4 electrode shows highest specific capacitance of 27.53 F.g-1 and interfacial capacitance of 0.83 F.cm-2.
Fe moments in the pressure-induced collapsed tetragonal phase of (Ca0.67Sr0.33) Fe2As2
NASA Astrophysics Data System (ADS)
Jeffries, Jason; Butch, Nicha; Bradley, Joseph; Xiao, Yuming; Chow, Paul; Saha, Shanta; Kirshenbaum, Kevin; Paglione, Johnpierre
2013-06-01
The tetragonal AEFe2As2 (AE =alkaline earth element) family of iron-based superconductors exhibits magnetic order at ambient pressure and low temperature. Under pressure, the magnetic order is suppressed, and an isostructural volume collapse is induced due to increased As-As bonding across the mirror plane of the structure. This collapsed tetragonal phase has been shown to support superconductivity under some conditions, and theoretical calculations suggest an unconventional origin. Theoretical calculations also reveal that enhanced As-As bonding and the magnitude of the Fe moments are correlated, suggesting that the Fe moments can be quenched in the collapsed tetragonal phase. Whether the Fe moments persist in the collapsed tetragonal phase has implications for the pairing mechanism of the observed, pressure-induced superconductivity in these compounds. We will present pressure- dependent x-ray emission spectroscopy (XES) measurements that probe the Fe moments through the volume collapse transition of (Ca0.67Sr0.33) Fe2As2. These measurements will be compared with previously reported phase diagrams that include superconductivity. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the US Department of Energy (DOE), National Nuclear Security Administration under Contract No. DE-AC52-07NA27344.
NASA Astrophysics Data System (ADS)
Lin, Jung-Fu; Fei, Yingwei; Sturhahn, Wolfgang; Zhao, Jiyong; Mao, Ho-kwang; Hemley, Russell J.
2004-09-01
Magnetic, elastic, thermodynamic, and vibrational properties of the most iron-rich sulfide, Fe3S, known to date have been studied with synchrotron Mössbauer spectroscopy (SMS) and nuclear resonant inelastic X-ray scattering (NRIXS) up to 57 GPa at room temperature. The magnetic hyperfine fields derived from the time spectra of the synchrotron Mössbauer spectroscopy show that the low-pressure magnetic phase displays two magnetic hyperfine field sites and that a magnetic collapse occurs at 21 GPa. The magnetic to non-magnetic transition significantly affects the elastic, thermodynamic, and vibrational properties of Fe3S. The magnetic collapse of Fe3S may also affect the phase relations in the iron-sulfur system, changing the solubility of sulfur in iron under higher pressures. Determination of the physical properties of the non-magnetic Fe3S phase is important for the interpretation of the amount and properties of sulfur present in the planetary cores. Sound velocities of Fe3S obtained from the measured partial phonon density of states (PDOS) for 57Fe incorporated in the alloy show that Fe3S has higher compressional and shear wave velocity than those of hcp-Fe and hcp-Fe0.92Ni0.08 alloy under high pressures, making sulfur a potential light element in the Earth's core based on geophysical arguments. The VP and VS of the non-magnetic Fe3S follow a Birch's law trend whereas the slopes decrease in the magnetic phase, indicating that the decrease of the magnetic moment significantly affects the sound velocities. If the Martian core is in the solid state containing 14.2 wt.% sulfur, it is likely that the non-magnetic Fe3S phase is a dominant component and that our measured sound velocities of Fe3S can be used to construct the corresponding velocity profile of the Martian core. It is also conceivable that Fe3P and Fe3C undergo similar magnetic phase transitions under high pressures.
NASA Astrophysics Data System (ADS)
Ma, C.; Tschauner, O. D.
2016-12-01
The combination of FESEM-EDS-EBSD, EPMA, and synchrotron microdiffraction is developing into a powerful tool for identification of micron-scale minerals in rocks such as high-pressure phases in shocked meteorites. During a nanomineralogy investigation of the Shergotty meteorite using this approach, we have identified a new shock-induced high-pressure silicate, majoritic almandine with a tetragonal I41/a structure, in an impact melt pocket. The Shergotty meteorite, which fell in the Gaya district, Bihar, India in 1865, is a Martian basaltic shergottite with shock features. Tetragonal almandine in Shergotty occurs as aggregates of subhedral crystals, 0.8 - 2.5 µm in diameter, along with stishovite in the central region of a shock melt pocket, showing an empirical formula of (Fe1.16Ca0.75Mg0.61Na0.42Mn0.03K0.01)(Al1.16Si0.63Mg0.19Ti0.02)Si3O12. Its general formula is (Fe,Mg,Ca,Na)3(Al,Si,Mg)2Si3O12. EBSD indicated this phase has a garnet-related structure. Synchrotron X-ray diffraction revealed that this garnet has actually a tetragonal structure (I41/a) with unit cell dimensions: a = 11.585(9) Å, c = 11.63(4) Å, V = 1561(7) Å3, and Z = 8. Tetragonal almandine is the polymorph of cubic almandine, a new high-pressure garnet mineral, formed by shock metamorphism via the Shergotty impact event on Mars. It apparently crystallized from Fe-rich shock-induced melt under high-pressure and high-temperature conditions.
Mössbauer spectroscopy measurements on the 35.5 K superconductor Rb1 -δEuFe4As4
NASA Astrophysics Data System (ADS)
Albedah, Mohammed A.; Nejadsattari, Farshad; Stadnik, Zbigniew M.; Liu, Yi; Cao, Guang-Han
2018-04-01
The results of x-ray diffraction and 57Fe and 151Eu Mössbauer spectroscopy measurements, supplemented with ab initio hyperfine-interaction parameter calculations, on the new 35.5 K superconductor Rb1 -δEuFe4As4 are presented. The superconductor crystallizes in the tetragonal space group P 4 /m m m with the lattice parameters a =3.8849 (1 ) Å and c =13.3370 (3 ) Å. It is shown that there is no magnetic order of the Fe magnetic moments down to 2.1 K and that the ferromagnetic order is associated solely with the Eu magnetic moments. The Curie temperature TC=16.54 (8 ) K is determined from the temperature dependence of both the hyperfine magnetic field at 151Eu nuclei and the transferred hyperfine magnetic field at 57Fe nuclei that is induced by the ferromagnetically ordered Eu sublattice. The Eu magnetic moments are demonstrated to be perpendicular to the crystallographic c axis. The temperature dependence of the principal component of the electric field gradient tensor, at both Fe and Eu sites, is well described by a T3 /2 power-law relation. Good agreement between the calculated and measured hyperfine-interaction parameters is observed. The Debye temperature of Rb1 -δEuFe4As4 is found to be 391(8) K.
Pressure-induced superconductivity in parent CaFeAsF single crystals
NASA Astrophysics Data System (ADS)
Gao, Bo; Ma, Yonghui; Mu, Gang; Xiao, Hong
2018-05-01
Flouroarsenide CaFeAsF is a parent compound of the 1111 type of iron-based superconductors. It is similar to the parent LaFeAsO, but it is oxygen-free. To date, studies of pressure-induced effects have only focused on pure and doped polycrystalline CaFeAsF samples. Here, we carried out high-pressure electrical resistivity and Hall coefficient measurements up to 48.2 GPa on single crystals of CaFeAsF. The structural transition temperature Tstr decreased monotonically upon increasing the pressure, and reached ˜60 K at 9.6 GPa. Superconductivity emerged suddenly at 8.6 GPa with the Tc ,onset˜25.7 K , which decreased monotonically with increasing pressure to 5.7 K under 48.2 GPa. Moreover, just after the appearance of superconductivity, the Hall coefficient at 40 K started to decrease with increasing pressure, while keeping its sign negative persisting up to 48.2 GPa.
[Mechanism and promotion effect of K+ on yield of Fe(VI)].
Zhang, Yan-Ping; Xu, Guo-Ren; Li, Gui-Bai
2008-03-01
The mechanism and promotion effects of K+ on the yield of Fe(VI) were studied during the reaction of forming ferrate. The experiment results showed that K+ is far better than Na+ for the preparation of Fe(VI) at temperatures higher than 50 degrees C. The optimal temperature for the preparation of Fe(VI) with K+ is 65 degrees C. During the reaction, the yield of ferrate increases with the concentration of K+, and the promotion effect of K+ is obviously with ferric nitrate dosage increase. The Fe(VI) concentration prepared with 4.4 mol/L KOH is 0.05 mol/L at 85 g/L ferric nitrate; and which achieves 0.15 mol/L when added 2 mol/L K+. The promotion effect of K+ on the yield of ferrate is remarkable when ferric nitrate dosage is higher than 75 g/L, reaction temperature is below 55 degrees C and ClO(-) concentration is lower than 1.16 mol/L. The K+ can substitute for partly alkalinity and reduce the concentration of OH(-) in the reaction solution. During the reaction, the K+ can enwrap around FeO4(2-) that can reduce the contact between Fe(3+) and FeO4(2-), and decrease the catalysis effect of Fe(3+) on FeO4(2-). At the same time, K+ can react with FeO4(2-) to form solid K4FeO4, whichwill lower the Fe(VI) concentration, decrease the decomposition rate of Fe(VI), enhance the stability and improve the yield of Fe(VI).
Abacavir-Reactive Memory T Cells Are Present in Drug Naïve Individuals
Lucas, Andrew; Lucas, Michaela; Strhyn, Anette; Keane, Niamh M.; McKinnon, Elizabeth; Pavlos, Rebecca; Moran, Ellen M.; Meyer-Pannwitt, Viola; Gaudieri, Silvana; D’Orsogna, Lloyd; Kalams, Spyros; Ostrov, David A.; Buus, Søren; Peters, Bjoern; Mallal, Simon; Phillips, Elizabeth
2015-01-01
Background Fifty-five percent of individuals with HLA-B*57:01 exposed to the antiretroviral drug abacavir develop a hypersensitivity reaction (HSR) that has been attributed to naïve T-cell responses to neo-antigen generated by the drug. Immunologically confirmed abacavir HSR can manifest clinically in less than 48 hours following first exposure suggesting that, at least in some cases, abacavir HSR is due to re-stimulation of a pre-existing memory T-cell population rather than priming of a high frequency naïve T-cell population. Methods To determine whether a pre-existing abacavir reactive memory T-cell population contributes to early abacavir HSR symptoms, we studied the abacavir specific naïve or memory T-cell response using HLA-B*57:01 positive HSR patients or healthy controls using ELISpot assay, intra-cellular cytokine staining and tetramer labelling. Results Abacavir reactive CD8+ T-cell responses were detected in vitro in one hundred percent of abacavir unexposed HLA-B*57:01 positive healthy donors. Abacavir-specific CD8+ T cells from such donors can be expanded from sorted memory, and sorted naïve, CD8+ T cells without need for autologous CD4+ T cells. Conclusions We propose that these pre-existing abacavir-reactive memory CD8+ T-cell responses must have been primed by earlier exposure to another foreign antigen and that these T cells cross-react with an abacavir-HLA-B*57:01-endogenous peptide ligand complex, in keeping with the model of heterologous immunity proposed in transplant rejection. PMID:25674793
Abacavir-reactive memory T cells are present in drug naïve individuals.
Lucas, Andrew; Lucas, Michaela; Strhyn, Anette; Keane, Niamh M; McKinnon, Elizabeth; Pavlos, Rebecca; Moran, Ellen M; Meyer-Pannwitt, Viola; Gaudieri, Silvana; D'Orsogna, Lloyd; Kalams, Spyros; Ostrov, David A; Buus, Søren; Peters, Bjoern; Mallal, Simon; Phillips, Elizabeth
2015-01-01
Fifty-five percent of individuals with HLA-B*57:01 exposed to the antiretroviral drug abacavir develop a hypersensitivity reaction (HSR) that has been attributed to naïve T-cell responses to neo-antigen generated by the drug. Immunologically confirmed abacavir HSR can manifest clinically in less than 48 hours following first exposure suggesting that, at least in some cases, abacavir HSR is due to re-stimulation of a pre-existing memory T-cell population rather than priming of a high frequency naïve T-cell population. To determine whether a pre-existing abacavir reactive memory T-cell population contributes to early abacavir HSR symptoms, we studied the abacavir specific naïve or memory T-cell response using HLA-B*57:01 positive HSR patients or healthy controls using ELISpot assay, intra-cellular cytokine staining and tetramer labelling. Abacavir reactive CD8+ T-cell responses were detected in vitro in one hundred percent of abacavir unexposed HLA-B*57:01 positive healthy donors. Abacavir-specific CD8+ T cells from such donors can be expanded from sorted memory, and sorted naïve, CD8+ T cells without need for autologous CD4+ T cells. We propose that these pre-existing abacavir-reactive memory CD8+ T-cell responses must have been primed by earlier exposure to another foreign antigen and that these T cells cross-react with an abacavir-HLA-B*57:01-endogenous peptide ligand complex, in keeping with the model of heterologous immunity proposed in transplant rejection.
Dippon, Urs; Pantke, Claudia; Porsch, Katharina; Larese-Casanova, Phil; Kappler, Andreas
2012-06-19
The mobility of toxic metals and the transformation of organic pollutants in the environment are influenced and in many cases even controlled by iron minerals. Therefore knowing the factors influencing iron mineral formation and transformation by Fe(II)-oxidizing and Fe(III)-reducing bacteria is crucial for understanding the fate of contaminants and for the development of remediation technologies. In this study we followed mineral formation by the nitrate-reducing Fe(II)-oxidizing strain Acidovorax sp. BoFeN1 in the presence of the crystalline Fe(III) (oxyhydr)oxides goethite, magnetite and hematite added as potential nucleation sites. Mössbauer spectroscopy analysis of minerals precipitated by BoFeN1 in (57)Fe(II)-spiked microbial growth medium showed that goethite was formed in the absence of mineral additions as well as in the presence of goethite or hematite. The presence of magnetite minerals during Fe(II) oxidation induced the formation of magnetite in addition to goethite, while the addition of humic substances along with magnetite also led to goethite but no magnetite. This study showed that mineral formation not only depends on the aqueous geochemical conditions but can also be affected by the presence of mineral nucleation sites that initiate precipitation of the same underlying mineral phases.
Carbonization of α-Fe upon mechanical alloying
NASA Astrophysics Data System (ADS)
Barinov, V. A.; Tsurin, V. A.; Kazantsev, V. A.; Surikov, V. T.
2014-01-01
Methods of thermomagnetic analysis (TMA) and Mössbauer spectrometry (57Fe) have been used to study the processes of the carburizing of α-Fe under the conditions of mechanical milling in a medium of liquid hydrocarbons. It has been established that, under the chosen conditions of the mechanical synthesis of carbides, the process of carbonization at T < 375 K occurs through the decomposition of the deformation-induced martensite, i.e., the supersaturated bct solid solution α″-Fe(C) with the formation of transitional hcp ɛ and ɛ' phases that precede the formation of cementite. The milling of the metallic iron in the toluene medium substantially enhances the catalytic capability of disperse powders of α-Fe in the process of conversion of cyclic structures of hydrocarbons into other chemical forms. The increase in the dispersity of the iron powder to a nanocrystalline state leads to an increase in the chemical activity of carbon and an increase in the rate of diffusion sufficient for the formation in the Fe-C mixture of both primary cementite (θ') with an anomalously low Curie temperature T C(θ')(first stage) and secondary cementite (θ″) at the second stage of mechanosynthesis. The parameters of hyperfine interactions have been calculated for a number of synthesized carbides. It has been shown that the change in the carbon concentration in iron carbides is determined by the following inequality: c C(θ') > c C(ɛ) > c C(ɛ'). The boundary of the temperature stability of cementite has been established. The effect of the decomposition of the θ phase (Fe3C) upon thermal cycling θ ⇔ γ in the temperature range of 300 < T < 1075 K has been revealed. Based on the results obtained, a scheme of the sequence of phase transformations that occur in the Fe-C system under the conditions of low-temperature mechanosynthesis has been derived.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Raju, N.; Shravan Kumar Reddy, S.; Ramesh, J.
2016-08-07
The magnetic, Raman, ferroelectric, and in-field {sup 57}Fe Mössbauer studies of polycrystalline multiferroic Sr{sub 3}Co{sub 2}Fe{sub 24}O{sub 41} are reported in this paper. From the magnetization studies, it is observed that the sample is soft magnetic in nature with low temperature magnetic spin transitions like longitudinal to transverse conical structure around 130 K and change in magnetic crystalline anisotropy from conical to planar structure at 250 K. Ferroelectric studies of the sample exhibit the spontaneous polarization at low temperature. Strong spin phonon and spin lattice coupling is observed through low temperature Raman spectroscopy. From the in-field {sup 57}Fe Mössbauer spectroscopy, spin upmore » and spin down site occupations of Fe ions are calculated in the unit cell.« less
NASA Astrophysics Data System (ADS)
Hu, Feng-Xia; Qian, Xiao-Ling; Wang, Guang-Jun; Sun, Ji-Rong; Shen, Bao-Gen; Cheng, Zhao-Hua; Gao, Ju
2005-11-01
Magnetoresistances and magnetic entropy changes in NaZn13-type compounds La(Fe1-xCox)11.9Si1.1 (x=0.04, 0.06 and 0.08) with Curie temperatures of 243 K, 274 K and 301 K, respectively, are studied. The ferromagnetic ordering is accompanied by a negative lattice expansion. Large magnetic entropy changes in a wide temperature range from ~230 K to ~320 K are achieved. Raising Co content increases the Curie temperature but weakens the magnetovolume effect, thereby causing a decrease in magnetic entropy change. These materials exhibit a metallic character below TC, whereas the electrical resistance decreases abruptly and then recovers the metal-like behaviour above TC. Application of a magnetic field retains the transitions via increasing the ferromagnetic ordering temperature. An isothermal increase in magnetic field leads to an increase in electrical resistance at temperatures near but above TC, which is a consequence of the field-induced metamagnetic transition from a paramagnetic state to a ferromagnetic state.
46 CFR 54.25-8 - Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57).
Code of Federal Regulations, 2014 CFR
2014-10-01
... 46 Shipping 2 2014-10-01 2014-10-01 false Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57). 54.25-8 Section 54.25-8 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING PRESSURE VESSELS Construction With Carbon, Alloy, and Heat Treated Steels § 54.25-8 Radiography (modifies UW-11(a), UCS-57, UNF...
46 CFR 54.25-8 - Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57).
Code of Federal Regulations, 2012 CFR
2012-10-01
... 46 Shipping 2 2012-10-01 2012-10-01 false Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57). 54.25-8 Section 54.25-8 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING PRESSURE VESSELS Construction With Carbon, Alloy, and Heat Treated Steels § 54.25-8 Radiography (modifies UW-11(a), UCS-57, UNF...
46 CFR 54.25-8 - Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57).
Code of Federal Regulations, 2013 CFR
2013-10-01
... 46 Shipping 2 2013-10-01 2013-10-01 false Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57). 54.25-8 Section 54.25-8 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING PRESSURE VESSELS Construction With Carbon, Alloy, and Heat Treated Steels § 54.25-8 Radiography (modifies UW-11(a), UCS-57, UNF...
46 CFR 54.25-8 - Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57).
Code of Federal Regulations, 2011 CFR
2011-10-01
... 46 Shipping 2 2011-10-01 2011-10-01 false Radiography (modifies UW-11(a), UCS-57, UNF-57, UHA-33, and UHT-57). 54.25-8 Section 54.25-8 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING PRESSURE VESSELS Construction With Carbon, Alloy, and Heat Treated Steels § 54.25-8 Radiography (modifies UW-11(a), UCS-57, UNF...
Pandelia, Maria-Eirini; Nitschke, Wolfgang; Infossi, Pascale; Giudici-Orticoni, Marie-Thérèse; Bill, Eckhard; Lubitz, Wolfgang
2011-01-01
Iron-sulfur clusters are versatile electron transfer cofactors, ubiquitous in metalloenzymes such as hydrogenases. In the oxygen-tolerant Hydrogenase I from Aquifex aeolicus such electron “wires” form a relay to a diheme cytb, an integral part of a respiration pathway for the reduction of O2 to water. Amino acid sequence comparison with oxygen-sensitive hydrogenases showed conserved binding motifs for three iron-sulfur clusters, the nature and properties of which were unknown so far. Electron paramagnetic resonance spectra exhibited complex signals that disclose interesting features and spin-coupling patterns; by redox titrations three iron-sulfur clusters were identified in their usual redox states, a [3Fe4S] and two [4Fe4S], but also a unique high-potential (HP) state was found. On the basis of 57Fe Mössbauer spectroscopy we attribute this HP form to a superoxidized state of the [4Fe4S] center proximal to the [NiFe] site. The unique environment of this cluster, characterized by a surplus cysteine coordination, is able to tune the redox potentials and make it compliant with the [4Fe4S]3+ state. It is actually the first example of a biological [4Fe4S] center that physiologically switches between 3+, 2+, and 1+ oxidation states within a very small potential range. We suggest that the (1 + /2+) redox couple serves the classical electron transfer reaction, whereas the superoxidation step is associated with a redox switch against oxidative stress. PMID:21444783
Simultaneously efficient adsorption and photocatalytic degradation of tetracycline by Fe-based MOFs.
Wang, Dongbo; Jia, Feiyue; Wang, Hou; Chen, Fei; Fang, Ying; Dong, Wenbo; Zeng, Guangming; Li, Xiaoming; Yang, Qi; Yuan, Xingzhong
2018-06-01
Recently, Fe-based metal-organic frameworks (MOFs) have attracted increasing attention and been widely used. To date, however, it is unknown whether they can be employed to degrade tetracycline, one of the most widely used antibiotics. This work therefore aims to provide such support by comparing the performance of three Fe-based MOFs (namely, Fe-MIL-101, Fe-MIL-100, and Fe-MIL-53) in removing tetracycline. Experimental results showed that Fe-MIL-101 exhibited the best performance in tetracycline removal, with 96.6% of tetracycline being removed (initial tetracycline concentration at 50 mg/L) while Fe-MIL-100 and Fe-MIL-53 removed 57.4% and 40.6% under the same conditions. Additionally, the effects of adding dosage, adsorption time, and initial concentration of tetracycline on degradation efficiency were examined. It was found that the adsorption and photocatalytic degradation effect was better with the increase of time, the optimum dosage of Fe-MIL-101 was 0.5 g/L and the removal efficiency decreased with the increasing of initial tetracycline concentrations. Moreover, the trapping experiments and ESR tests indicated that O 2 -, OH and h + were the main active species in photocatalytic degradation process of tetracycline. Due to its high removal efficiency and simple synthesis, it could be used as a potential catalyst for degradation of tetracycline and other antibiotics. Copyright © 2018 Elsevier Inc. All rights reserved.
Heavy ion irradiations on synthetic hollandite-type materials: Ba1.0Cs0.3A2.3Ti5.7O16 (A=Cr, Fe, Al)
NASA Astrophysics Data System (ADS)
Tang, Ming; Tumurugoti, Priyatham; Clark, Braeden; Sundaram, S. K.; Amoroso, Jake; Marra, James; Sun, Cheng; Lu, Ping; Wang, Yongqiang; Jiang, Ying.-Bing.
2016-07-01
The hollandite supergroup of minerals has received considerable attention as a nuclear waste form for immobilization of Cs. The radiation stability of synthetic hollandite-type compounds described generally as Ba1.0Cs0.3A2.3Ti5.7O16 (A=Cr, Fe, Al) were evaluated by heavy ion (Kr) irradiations on polycrystalline single phase materials and multiphase materials incorporating the hollandite phases. Ion irradiation damage effects on these samples were examined using grazing incidence X-ray diffraction (GIXRD) and transmission electron microscopy (TEM). Single phase compounds possess tetragonal structure with space group I4/m. GIXRD and TEM observations revealed that 600 keV Kr irradiation-induced amorphization on single phase hollandites compounds occurred at a fluence between 2.5×1014 Kr/cm2 and 5×1014 Kr/cm2. The critical amorphization fluence of single phase hollandite compounds obtained by in situ 1 MeV Kr ion irradiation was around 3.25×1014 Kr/cm2. The hollandite phase exhibited similar amorphization susceptibility under Kr ion irradiation when incorporated into a multiphase system.
Kabbour, Houria; Janod, Etienne; Corraze, Benoît; Danot, Michel; Lee, Changhoon; Whangbo, Myung-Hwan; Cario, Laurent
2008-07-02
The oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se), which contain Fe2O square planar layers of the anti-CuO2 type, were predicted using a modular assembly of layered secondary building units and subsequently synthesized. The physical properties of these compounds were characterized using magnetic susceptibility, electrical resistivity, specific heat, (57)Fe Mossbauer, and powder neutron diffraction measurements and also by estimating their exchange interactions on the basis of first-principles density functional theory electronic structure calculations. These compounds are magnetic semiconductors that undergo a long-range antiferromagnetic ordering below 83.6-106.2 K, and their magnetic properties are well-described by a two-dimensional Ising model. The dominant antiferromagnetic spin exchange interaction between S = 2 Fe(2+) ions occurs through corner-sharing Fe-O-Fe bridges. Moreover, the calculated spin exchange interactions show that the A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) compounds represent a rare example of a frustrated antiferromagnetic checkerboard lattice.
Enhancement of magnetocaloric effect in mischmetal doped La-Fe-Si alloys
NASA Astrophysics Data System (ADS)
Wang, Gaofeng; Zhao, Zengru; Zhang, Xuefeng; Ma, Qiang; Li, Yongfeng; Liu, Yanli; Mu, Lijuan; Zhang, Yan
2018-05-01
The influence of partial substitution of mischmetal on the structure, Curie temperature and magnetocaloric effect has been investigated in La1-xMxFe11.5Si1.5 alloys. X-ray diffraction patterns indicate the alloys crystallize mainly in NaZn13-type cubic structure and the amount of secondary α-Fe phase obviously reduces in the mischmetal doped alloys. As the content of mischmetal increases, the Curie temperature is reduced from 198.1 K for x = 0 to 184.2 K for x = 0.3 and the thermal hysteresis is enlarged from 3.5 K for x = 0 to 8.2 K for x = 0.3. Upon a field change from 0 to 3 T, the obtained maximum isothermal entropy change values are 17.2, 19.8, 37.8 and 47.9 J/kgK for x = 0, 0.1, 0.2 and 0.3, respectively. The entropy changes due to the latent heat of first-order transitions are estimated to be 11.3, 14.7, 18.5 and 23.4 J/kgK for x = 0, 0.1, 0.2 and 0.3, respectively. The enhancement of giant magnetocaloric MCE in La1-xMxFe11.5Si1.5 alloys originates from the strengthened itinerant electron metamagnetic transitions by adding the mischmetal. Our result suggests that the mischmetal doped NaZn13-type La-Fe-Si alloys are potential candidates of refrigerants for magnetic refrigeration.
Semin, B К; Davletshina, L N; Seibert, M; Rubin, A B
2018-01-01
Extraction of Mn cations from the oxygen-evolving complex (OEC) of Ca-depleted PSII membranes (PSII[-Ca,4Mn]) by reductants like hydroquinone (H 2 Q) occurs with lower efficiency at acidic pH (2Mn/reaction center [RC] are extracted at pH5.7) than at neutral pH (3Mn/RC are extracted at pH6.5) [Semin et al. Photosynth. Res. 125 (2015) 95]. Fe(II) also extracts Mn cations from PSII(-Ca,4Mn), but only 2Mn/RC at pH6.5, forming a heteronuclear 2Mn/2Fe cluster [Semin and Seibert, J. Bioenerg. Biomembr. 48 (2016) 227]. Here we investigated the efficiency of Mn extraction by Fe(II) at acidic pH and found that Fe(II) cations can extract only 1Mn/RC from PSII(-Ca,4Mn) membranes at pH 5.7, forming a 3Mn/1Fe cluster. Also we found that the presence of Fe cations in a heteronuclear cluster (2Mn/2Fe) increases the resistance of the remaining Mn cations to H 2 Q action, since H 2 Q can extract Mn cations from homonuclear Mn clusters of PSII(-Ca,4Mn) and PSII(-Ca,2Mn) membranes but not from the heteronuclear cluster in PSII(-Ca,2Mn,2Fe) membranes. H 2 Q also cannot extract Mn from PSII membranes obtained by incubation of PSII(-Ca,4Mn) membranes with Fe(II) cations at pH5.7, which suggests the formation of a heteronuclear 3Mn/1Fe cluster in the OEC. Functional activity of PSII with a 3Mn/1Fe cluster was investigated. PSII preparations with a 3Mn/1Fe cluster in the OEC are able to photoreduce the exogenous electron acceptor 2,6-dichlorophenolindophenol, possibly due to incomplete oxidation of water molecules as is the case with PSII(-Ca,2Mn,2Fe) samples. However, in the contrast to PSII(-Ca,2Mn,2Fe) samples PSII(-Ca,3Mn,1Fe) membranes can evolve O 2 at a low rate in the presence of exogenous Ca 2+ (at about 27% of the rate of O 2 evolution in native PSII membranes). The explanation for this phenomenon (either water splitting and production of molecular O 2 by the 3Mn/1Fe cluster or apparent O 2 evolution due to minor contamination of PSII(3Mn,1Fe) samples with PSII(-Ca,4Mn) membranes
Preparation and characterization of Fe3O4-Pt nanoparticles
NASA Astrophysics Data System (ADS)
Andrade, Ângela Leão; Cavalcante, Luis Carlos Duarte; Fabris, José Domingos; Pereira, Márcio César; Ardisson, José Domingos; Domingues, Rosana Zacarias
2017-11-01
Pt and Pt-based nanomaterials are active anticancer drugs for their ability to inhibit the division of living cells. Nanoparticles of magnetite containing variable proportions of platinum were prepared in the laboratory. The magnetite nanoparticles with platinum (Pt-Fe3O4) were obtained by reducing the Fe3+ of the maghemite ( γ Fe2O3) mixed with platinum (II) acetylacetonate and sucrose in two inversely coupled ceramic crucibles and heated in a furnace at 400 °C for 20 min. The formed carbon during this preparation acts to chemically reduce the ferric iron in maghemite. Moreover, its residual layer on the particle surface prevents the forming magnetite from oxidizing in air and helps retain the platinum in the solid mixture. The produced Pt-magnetite samples were characterized by 57Fe-Mössbauer spectroscopy, powder X-ray diffraction, scanning electron microscopy, and magnetization measurements. Measurements of AC magnetic-field-induced heating properties of the obtained nanocomposites, in aqueous solution, showed that they are suitable as a hyperthermia agent for biological applications.
Ferromagnetic resonance investigation in as-prepared NiFe/FeMn/NiFe trilayer
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yuan, S. J.; Xu, K.; Yu, L. M.
2007-06-01
NiFe/FeMn/NiFe trilayer prepared by dc magnetron sputtering was systematically investigated by ferromagnetic resonance technique (FMR) at room temperature. For NiFe/FeMn/NiFe trilayer, there are two distinct resonance peaks both in in-plane and out-of-plane FMR spectra, which are attributed to the two NiFe layers, respectively. The isotropic in-plane resonance field shift is negative for the bottom NiFe layer, while positive for the top NiFe layer. And, such phenomena result from the negative interfacial perpendicular anisotropy at the bottom NiFe/FeMn interface and positive interfacial perpendicular anisotropy at the top FeMn/NiFe interface. The linewidth of the bottom NiFe layer is larger than that ofmore » the top NiFe layer, which might be related to the greater exchange coupling at the bottom NiFe/FeMn interface.« less
Olguín, María Teresa; Deng, Shuguang
2016-01-25
The sorption behavior of the Ba(2+)-like (226)Ra(2+) in the presence of H2AsO4(-)/HAsO4(2-) and F(-) from aqueous media using Ce-Fe-modified zeolite-rich tuff was investigated in this work. The Na-modified zeolite-rich tuff was also considered for comparison purposes. The zeolite-rich tuff collected from Wyoming (US) was in contact with NaCl and CeCl3-FeCl3 solutions to obtain the Na- and Ce-Fe-modified zeolite-rich tuffs (ZUSNa and ZUSCeFe). These zeolites were characterized by scanning electron microscopy and X-ray diffraction. The BET-specific surface and the points of zero charge were determined as well as the content of Na, Ce and Fe by neutron activation analysis. The textural characteristics and the point of zero charge were changed by the presence of Ce and Fe species in the zeolitic network. A linear model described the Ba(2+)-like (226)Ra(2+) sorption isotherms and the distribution coefficients (Kd) varied with respect to the metallic species present in the zeolitic material. The As(V) oxianionic chemical species and F(-) affected this parameter when the Ba(2+)-like (226)Ra(2+)-As(V)-F(-) solutions were in contact with ZUSCeFe. The H2AsO4(-)/HAsO4(2-) and F(-) were adsorbed by ZUSCeFe in the same amount, independent of the concentration of Ba(2+)-like (226)Ra(2+) in the initial solution. Copyright © 2015 Elsevier B.V. All rights reserved.
Synthesis and characterization of magnetically hard Fe-Pt alloy nanoparticles and nano-islands
NASA Astrophysics Data System (ADS)
Hu, Xiaocao
In this dissertation, we explored the fabrication of FePt nanoparticles and nano-islands with the face-centered tetragonal (fct, L10) phase prepared by both chemical synthesis routes and physical vapor deposition. Microstructure and magnetic properties characterizations were used to gain a fundamental understanding of the nano-structure formation and atomic ordering behavior and determine the possible applications in the next generation ultra-high density magnetic storage media. FePt nanoparticles prepared by thermal decomposition of iron pentacarbonyl [Fe(CO)5] have been widely investigated and by tuning the processing procedure monodispersed FePt nanoparticles with good assembly can be obtained. The as-made FePt nanoparticles are usually in the magnetically soft face-centered cubic (fcc) phase. To transformation to the fct phase, post-annealing at above 600°C is needed which, however, introduces undesirable agglomeration and sintering. To address this problem, we used three different fabrication processes which are discussed below. In the first fabrication experiment, the FePt nanoparticles were fabricated by a novel environmental friendly method involving crystalline saline complex hexaaquairon (II) hexachloroplatinate ([Fe(H2O)6]PtCl 6) with a special layered structure. Then the precursor was ball milled with NaCl and annealed at temperatures above 400°C under a reducing atmosphere of forming gas (95% Ar and 5% H2) FePt nanoparticles were obtained after washing away NaCl with deionized water. This method avoids the use of the very poisonous Fe(CO)5 and other organic solvents such as oleylamine and oleic acid. Instead, environmentally friendly NaCl and water were used. The size of FePt nanoparticles was controlled by varying the proportion of precursor and NaCl (from 10mg/20g to 50mg/20g). Particles with size in the range of 6.2--13.2 nm were obtained. All the nanoparticles annealed above 400°C are in the highly ordered fct phase with a coercivity range of 4
de Jong, Jeroen; Schoemann, Véronique; Tison, Jean-Louis; Becquevort, Sylvie; Masson, Florence; Lannuzel, Delphine; Petit, Jérôme; Chou, Lei; Weis, Dominique; Mattielli, Nadine
2007-04-18
A novel analytical technique for isotopic analysis of dissolved and particulate iron (Fe) from various marine environments is presented in this paper. It combines coprecipitation of dissolved Fe (DFe) samples with Mg(OH)(2), and acid digestion of particulate Fe (PFe) samples with double pass chromatographic separation. Isotopic data were obtained using a Nu Plasma MC-ICP-MS in dry plasma mode, applying a combination of standard-sample bracketing and external normalization by Cu doping. Argon interferences were determined prior to each analysis and automatically subtracted during analysis. Sample size can be varied between 200 and 600 ng of Fe per measurement and total procedural blanks are better than 10 ng of Fe. Typical external precision of replicate analyses (1S.D.) is +/-0.07 per thousand on delta(56)Fe and +/-0.09 per thousand on delta(57)Fe while typical internal precision of a measurement (1S.E.) is +/-0.03 per thousand on delta(56)Fe and +/-0.04 per thousand on delta(57)Fe. Accuracy and precision were assured by the analysis of reference material IRMM-014, an in-house pure Fe standard, an in-house rock standard, as well as by inter-laboratory comparison using a hematite standard from ETH (Zürich). The lowest amount of Fe (200 ng) at which a reliable isotopic measurement could still be performed corresponds to a DFe or PFe concentration of approximately 2 nmol L(-1) for a 2 L sample size. To show the versatility of the method, results are presented from contrasting environments characterized by a wide range of Fe concentrations as well as varying salt content: the Scheldt estuary, the North Sea, and Antarctic pack ice. The range of DFe and PFe concentrations encountered in this investigation falls between 2 and 2000 nmol L(-1) Fe. The distinct isotopic compositions detected in these environments cover the whole range reported in previous studies of natural Fe isotopic fractionation in the marine environment, i.e. delta(56)Fe varies between -3.5 per
[FeFe]- and [NiFe]-hydrogenase diversity, mechanism, and maturation.
Peters, John W; Schut, Gerrit J; Boyd, Eric S; Mulder, David W; Shepard, Eric M; Broderick, Joan B; King, Paul W; Adams, Michael W W
2015-06-01
The [FeFe]- and [NiFe]-hydrogenases catalyze the formal interconversion between hydrogen and protons and electrons, possess characteristic non-protein ligands at their catalytic sites and thus share common mechanistic features. Despite the similarities between these two types of hydrogenases, they clearly have distinct evolutionary origins and likely emerged from different selective pressures. [FeFe]-hydrogenases are widely distributed in fermentative anaerobic microorganisms and likely evolved under selective pressure to couple hydrogen production to the recycling of electron carriers that accumulate during anaerobic metabolism. In contrast, many [NiFe]-hydrogenases catalyze hydrogen oxidation as part of energy metabolism and were likely key enzymes in early life and arguably represent the predecessors of modern respiratory metabolism. Although the reversible combination of protons and electrons to generate hydrogen gas is the simplest of chemical reactions, the [FeFe]- and [NiFe]-hydrogenases have distinct mechanisms and differ in the fundamental chemistry associated with proton transfer and control of electron flow that also help to define catalytic bias. A unifying feature of these enzymes is that hydrogen activation itself has been restricted to one solution involving diatomic ligands (carbon monoxide and cyanide) bound to an Fe ion. On the other hand, and quite remarkably, the biosynthetic mechanisms to produce these ligands are exclusive to each type of enzyme. Furthermore, these mechanisms represent two independent solutions to the formation of complex bioinorganic active sites for catalyzing the simplest of chemical reactions, reversible hydrogen oxidation. As such, the [FeFe]- and [NiFe]-hydrogenases are arguably the most profound case of convergent evolution. This article is part of a Special Issue entitled: Fe/S proteins: Analysis, structure, function, biogenesis and diseases. Copyright © 2014 Elsevier B.V. All rights reserved.
Textured Nd2Fe14B flakes with enhanced coercivity
NASA Astrophysics Data System (ADS)
Cui, B. Z.; Zheng, L. Y.; Marinescu, M.; Liu, J. F.; Hadjipanayis, G. C.
2012-04-01
Morphology, structure, and magnetic properties of the [001] textured Nd2Fe14B nanocrystalline flakes prepared by surfactant-assisted high energy ball milling (HEBM) and subsequent annealing were studied. These flakes have a thickness of 80-200 nm, a length of 0.5-10 μm, and an average grain size of 10-14 nm. The addition of some amount of Dy, Nd70Cu30 alloy, and an appropriate post annealing increased the coercivity iHc of the Nd2Fe14B flakes. iHc was 3.7, 4.3, and 5.7 kOe for the Nd15.5Fe78.5B6, Nd14Dy1.5Fe78.5B6 and 83.3 wt.% Nd14Dy1.5Fe78.5B6 + 16.7 wt.% Nd70Cu30 flakes prepared by HEBM for 5 h in heptane with 20 wt.% oleylamine, respectively. After annealing at 450 °C for 0.5 h, their iHc increased to 5.1, 6.2, and 7.0 kOe, respectively. Anisotropic magnetic behavior was found in all of the as-milled and annealed flakes. Both, the thickening of Nd-rich phase at grain boundaries via diffusion of Nd70Cu30 and the surface modification of the Nd2Fe14B flake could be the main reasons for the coercivity enhancement in the as-milled and annealed Nd70Cu30-added Nd2Fe14B flakes.
FeOOH-loaded MnO2 nano-composite: An efficient emergency material for thallium pollution incident.
Chen, Meiqing; Wu, Pingxiao; Yu, Langfeng; Liu, Shuai; Ruan, Bo; Hu, Haihui; Zhu, Nengwu; Lin, Zhang
2017-05-01
A FeOOH-loaded MnO 2 nano-composite was developed as an emergency material for Tl(I) pollution incident. Structural characterizations showed that FeOOH successfully loaded onto MnO 2 , the nanosheet-flower structure and high surface area (191 m 2 g -1 ) of material contributed to the excellent performance for Tl(I) removal. FeOOH-loaded MnO 2 with a Fe/Mn molar ratio of 1:2 exhibited a noticeable enhanced capacity for Tl(I) removal compared to that of pure MnO 2 . The outstanding performance for Tl(I) removal involves in extremely high efficiency (achieved equilibrium and drinking water standard within 4 min) and the large maximum adsorption capacity (450 mg g -1 ). Both the control-experiment and XPS characterization proved that the removal mechanism of Tl(I) on FeOOH-loaded MnO 2 included adsorption and oxidation: the oxidation of MnO 2 played an important role for Tl(I) removal, and the adsorption of FeOOH loaded on MnO 2 enhanced Tl(I) purification at the same time. In-depth purification of Tl(I) had reach drinking water standards (0.1 μg L -1 ) at pH above 7, and there wasn't security risk produced from the dissolution of Mn 2+ and Fe 2+ . Moreover, the as-prepared material could be utilized as a recyclable adsorbent regenerated by using NaOH-NaClO binary solution. Therefore, the synthesized FeOOH-loaded MnO 2 in this study has the potential to be applied as an emergency material for thallium pollution incident. Copyright © 2017 Elsevier Ltd. All rights reserved.
Probing Fe-V Bonding in a C3-Symmetric Heterobimetallic Complex.
Greer, Samuel M; McKay, Johannes; Gramigna, Kathryn M; Thomas, Christine M; Stoian, Sebastian A; Hill, Stephen
2018-04-30
Direct metal-metal bonding of two distinct first-row transition metals remains relatively unexplored compared to their second- and third-row heterobimetallic counterparts. Herein, a recently reported Fe-V triply bonded species, [V( i PrNPPh 2 ) 3 FeI] (1; Kuppuswamy, S.; Powers, T. M.; Krogman, J. P.; Bezpalko, M. W.; Foxman, B. M.; Thomas, C. M. Vanadium-iron complexes featuring metal-metal multiple bonds. Chem. Sci. 2013, 4, 3557-3565), is investigated using high-frequency electron paramagnetic resonance, field- and temperature-dependent 57 Fe nuclear gamma resonance (Mössbauer) spectroscopy, and high-field electron-electron double resonance detected nuclear magnetic resonance. From the use of this suite of physical methods, we have assessed the electronic structure of 1. These studies allow us to establish the effective g̃ tensors as well as the Fe/V electro-nuclear hyperfine interaction tensors of the spin S = 1 / 2 ground state. We have rationalized these tensors in the context of ligand field theory supported by quantum chemical calculations. This theoretical analysis suggests that the S = 1 / 2 ground state originates from a single unpaired electron predominately localized on the Fe site.
Effects of environment on the release of Ni, Cr, Fe, and Co from new and recast Ni-Cr alloy.
Oyar, Perihan; Can, Gülşen; Atakol, Orhan
2014-07-01
The addition of previously cast alloy to new alloy for economic reasons may increase the release of elements. The purpose of this study was to analyze the effects of the immersion period, immersion media, and addition of previously cast alloy to new alloy on the release of elements. Disk-shaped specimens were prepared from a Ni-Cr alloy (Ni: 61 wt%, Cr: 26 wt%, Mo: 11 wt%, Si: 1.5 wt%, Fe, Ce, Al, and Co <1 wt%) (Remanium CS; Dentaurum) with new alloy (group N) and 50% new/50% recast alloy (group R). After the immersion of the specimens in both NaCl (pH 4) and artificial saliva (pH 6.7) for 3, 7, 14, 30, and 60 days, the release of ions was determined by using atomic absorption spectrometry. Data were analyzed with a 3-way ANOVA (α=.001). The release of Ni was significantly affected by the immersion period, of Ni and Cr by the alloy and media (P<.01), and of Fe by the alloy (P<.01). Ion release from the recast alloy in artificial saliva was 109.71 for Ni, 6.49 for Cr, 223.22 for Fe, and 29.90 μg/L for Co. The release of Co in NaCl was below the detection limit in both groups. The release of Ni in NaCl and artificial saliva increased with the length of the immersion period in both groups. The release of Cr and Fe was higher in artificial saliva than in NaCl in group R, regardless of the immersion period. The release of Co in NaCl was below the detection limit in both groups. Copyright © 2014 The Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.
Local structure study of Fe dopants in Ni-deficit Ni 3Al alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
V. N. Ivanovski; Umicevic, A.; Belosevic-Cavor, J.
2015-08-24
We found that the local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni–deficient Ni 3-x FexAl (x = 0.18 and 0.36) were investigated by means of 57 Fe Mössbauer spectroscopy. The samples were characterized by X–ray diffraction and magnetization measurements. The ab initio calculations performed with the projector augmented wave method and the calculations of the energies of iron point defects were done to elucidate the electronic structure and site preference of Fe doped Ni 3 Al. Moreover, the value of calculated electric field gradient tensor V zz=1.6 10 21Vm -2 matches well with the resultsmore » of Mössbauer spectroscopy and indicates that the Fe atoms occupy Ni sites.« less
Braden, Gillian C; Arbona, Rodolfo Ricart; Lepherd, Michelle; Monette, Sébastien; Toma, Aziz; Fox, James G; Dewhirst, Floyd E; Lipman, Neil S
2015-01-01
During 1 year, experimentally naïve C57BL/6NCrl weanlings born to timed-pregnant dams from a single vendor demonstrated markedly increased mortality associated with runting, abnormal gait, and decreased activity. Gram-positive, aerobic, α-hemolytic, coccoid bacteria were isolated from the meninges (n = 16), blood (n = 1), and kidneys (n = 1) of clinically affected weanlings (n = 15); from the uterus (n = 1), meninges (n = 1), and oral cavity (n = 2) of 3 dams; and from the meninges and oral cavity of a clinically affected 86-d-old mouse in the same colony. Multifocal, necrosuppurative meningoencephalitis and ventriculitis with intralesional gram-positive coccoid bacteria were present in all but 2 affected animals. The bacterium also was isolated from the oral cavity of an asymptomatic timed-pregnant dam (1 of 23) from the same vendor and from 8 mice at the vendor's facility. All isolates (n = 25) were identified by using 2 semiautomated rapid-identification systems, one of which consistently identified the causative bacterium as Aerococcus viridans 2 (n = 12) or 3 (n = 13), with probabilities of 55.7% to 98.3%. The bacterium did not grow in 6.5% NaCl at 10 °C, thus suggesting a Streptococcus species. Partial 16S rRNA sequencing of 4 isolates suggested S. hyointestinalis (probability, 93.4%) and S. gallinaceus (99.5%). Full 16S rRNA sequences for 3 isolates identified the bacterium as a novel Streptococcus species most closely related to S. acidominimus strain LGM (96.5%) and Streptococcus species strain Smarlab 3301444 (96.3%) and for which we propose the name S. azizii. PMID:26141443
Inhibitory effects of CaO/Fe2O3 on arsenic emission during sewage sludge pyrolysis.
Han, Hengda; Hu, Song; Lu, Chaofeng; Wang, Yi; Jiang, Long; Xiang, Jun; Su, Sheng
2016-10-01
This work aimed to investigate effects and reaction mechanisms of CaO/Fe2O3 on emission behaviors of arsenic during sewage sludge pyrolysis. The results showed that 24.8-54.2%, 26.4-60.4% and 27.7-63.1% of arsenic escaped from three samples when pyrolysis process happened at 723, 923 and 1123K respectively. And the sludge which contained higher calcium and iron contents released less arsenic than others. External CaO and Fe2O3 were added into the sewage sludge to study their effects on arsenic emissions during pyrolysis, where both of them inhibited arsenic emission effectively, especially at high temperatures. With the help of thermogravimetry analysis and X-ray fluorescence, inhibitory mechanisms of CaO/Fe2O3 on arsenic emission during sewage sludge pyrolysis were studied. CaO could react with As2O3, As2S3 and NaAsO2 to form nonvolatile substances, such as Ca(AsO2)2; while Fe2O3 could react with NaAsO2 to generate certain substances which was stable below 1123K. Copyright © 2016 Elsevier Ltd. All rights reserved.
Westman, Mark E; Malik, Richard; Hall, Evelyn; Sheehy, Paul A; Norris, Jacqueline M
2017-02-01
Feline leukaemia virus (FeLV) can be a challenging infection to diagnose due to a complex feline host-pathogen relationship and occasionally unreliable test results. This study compared the accuracy of three point-of-care (PoC) FeLV p27 antigen test kits commonly used in Australia and available commercially worldwide (SNAP FIV/FeLV Combo, Witness FeLV/FIV and Anigen Rapid FIV/FeLV), using detection of FeLV provirus by an in-house real-time polymerase chain reaction (qPCR) assay as the diagnostic gold standard. Blood (n=563) and saliva (n=419) specimens were collected from a population of cats determined to include 491 FeLV-uninfected and 72 FeLV-infected individuals (45 progressive infections [p27 and qPCR positive], 27 regressive infections [p27 negative, qPCR positive]). Sensitivity and specificity using whole blood was 63% and 94% for SNAP Combo, 57% and 98% for Witness, and 57% and 98% for Anigen Rapid, respectively. SNAP Combo had a significantly lower specificity using blood compared to the other two kits (P=0.004 compared to Witness, P=0.007 compared to Anigen Rapid). False-positive test results occurred with all three kits using blood, and although using any two kits in parallel increased specificity, no combination of kits completely eliminated the occurrence of false-positive results. We therefore recommend FeLV proviral PCR testing for any cat that tests positive with a PoC FeLV antigen kit, as well as for any cat that has been potentially exposed to FeLV but tests negative with a FeLV antigen kit, before final assignment of FeLV status can be made with confidence. For saliva testing, sensitivity and specificity was 54% and 100%, respectively, for all three test kits. The reduced sensitivity of saliva testing compared to blood testing, although not statistically significant, suggests saliva testing with the current generation of PoC FeLV antigen kits is unsuitable for screening large populations of cats, such as in shelters. Copyright © 2016 Elsevier
ZnFe2O4-C/LiFePO4-CNT: A Novel High-Power Lithium-Ion Battery with Excellent Cycling Performance.
Varzi, Alberto; Bresser, Dominic; von Zamory, Jan; Müller, Franziska; Passerini, Stefano
2014-07-15
An innovative and environmentally friendly battery chemistry is proposed for high power applications. A carbon-coated ZnFe 2 O 4 nanoparticle-based anode and a LiFePO 4 -multiwalled carbon nanotube-based cathode, both aqueous processed with Na-carboxymethyl cellulose, are combined, for the first time, in a Li-ion full cell with exceptional electrochemical performance. Such novel battery shows remarkable rate capabilities, delivering 50% of its nominal capacity at currents corresponding to ≈20C (with respect to the limiting cathode). Furthermore, the pre-lithiation of the negative electrode offers the possibility of tuning the cell potential and, therefore, achieving remarkable gravimetric energy and power density values of 202 Wh kg -1 and 3.72 W kg -1 , respectively, in addition to grant a lithium reservoir. The high reversibility of the system enables sustaining more than 10 000 cycles at elevated C-rates (≈10C with respect to the LiFePO 4 cathode), while retaining up to 85% of its initial capacity.
Dielectric and impedance studies of Ba0.50(Na0.25Bi0.25)(Fe0.25Nb0.25)Ti0.50O3 ceramic
NASA Astrophysics Data System (ADS)
Yadav, Anjana; Chandra, K. P.; Kulkarni, A. R.; Prasad, K.
2018-05-01
Lead-free perovskite Ba0.50(Na0.25Bi0.25)(Fe0.25Nb0.25)Ti0.50O3 was prepared using conventional ceramic technique at 1130°C/4h in air atmosphere and characterized by X-ray diffraction, scanning electron microscopy, dielectric and impedance studies. XRD analysis of the compound indicated the formation of a single-phase cubic structure. SEM study was carried out to study the quality and purity of the compound. Compound showed very high dielectric constant (33700). Impedance analysis indicated the negative temperature coefficient of resistance character of the compound. Ac conductivity data followed Jonscher's law and correlated barrier hopping successfully explained the charge carrier transport mechanism in the system.
Mössbauer spectroscopy study of magnetic fluctuations in superconducting RbGd2Fe4As4O2
NASA Astrophysics Data System (ADS)
Li, Y.; Wang, Z. C.; Cao, G. H.; Zhang, J. M.; Zhang, B.; Wang, T.; Pang, H.; Li, F. S.; Li, Z. W.
2018-05-01
57Fe Mössbauer spectra were measured at different temperatures between 5.9 K and 300 K on the recently discovered self-doped superconducting RbGd2Fe4As4O2 with Tc as high as 35 K. Singlet pattern was observed down to the lowest temperature measured in this work, indicating the absence of static magnetic order on the Fe site. The intermediate isomer shift in comparison with that of the samples RbFe2As2 and GdFeAsO confirms the self doping induced local electronic structure change. Surprisingly, we observe two magnetic fluctuation induced spectral broadenings below ∼ 15 K and ∼ 100 K which are believed to be originated from the transferred magnetic fluctuations of the Gd3+ moments and that of the magnetic fluctuations of the Fe atoms, respectively.
NASA Astrophysics Data System (ADS)
Aboussatar, Mohamed; Mbarek, Aïcha; Naili, Houcine; El-Ghozzi, Malika; Chadeyron, Geneviève; Avignant, Daniel; Zambon, Daniel
2017-04-01
Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO3 system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO4 side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na2CdPO4F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1), c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na2CaPO4F and the fluorosilicate Ca2NaSiO4F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na2MIIPO4F (MII=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and 19F, 23Na, 31P MAS NMR characterizations of Na2CdPO4F have been investigated.
NASA Astrophysics Data System (ADS)
Sigov, A. S.; Pokatilov, V. S.; Makarova, A. O.; Pokatilov, V. V.
2014-06-01
Perovskites of the Bi0.8La0.2Fe1 - x Cr x O3 system ( x = 0, 0.05) were investigated by Mössbauer spectroscopy in the temperature range of 298-800 K. The samples were fabricated by solid-state synthesis and had a rhombic structure. Iron ions in Bi0.8La0.2FeO3 and Bi0.8La0.2Fe0.95Cr0.05O3 are situated in trivalent states. The magnetic transition temperatures (the Néel temperatures T N ) T N = 677.5 ± 2.5 K for Bi0.8La0.2FeO3 and T N = 647.6 ± 2.5 K for Bi0.8La0.2Fe0.95Cr0.05O3 are measured. The substitution of trivalent iron ions from trivalent chromium ions in the amount x = 0.05 in Bi0.8La0.2Fe0.95Cr0.05O3 perovskite decreases the hyperfine magnetic field at nuclei 57Fe in Fe+3-O-Cr+3 chains by 30 kOe.
Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe
NASA Astrophysics Data System (ADS)
Nakamura, Kazuma; Miyake, Takashi; Arita, Ryotaro; Imada, Masatoshi
2010-03-01
We present effective low-energy models for LaFePO and LaFeAsO (1111 family), BaFe2As2 (122), LiFeAs (111), and FeSe and FeTe (11) [1], based on ab initio downfolding scheme, a constrained random-phase-approximation method combined with maximally localized Wannier functions. Comparison among the effective models, derived for 5 Fe-3d bands, provides a basis for interpreting physics/chemistry; material dependences of electron correlations, a multiband character entangled by the 3d orbitals, and the geometrical frustration depending on hybridizations between iron and pnictogen/chalcogen orbitals. We found that LaFePO in the 1111 family resides in the weak correlation regime, while LaFeAsO and 111/122 compounds are the intermediate region and FeSe and FeTe in the 11 family are located in the strong correlation regime. A principal parameter relevant to the physics is clarified to be the pnictogen/chalcogen height from the iron layer. Implications in low-energy properties including magnetism and superconductivity are discussed. [1] T. Miyake, K. Nakamura, R. Arita, and M. Imada, arXiv:0911.3705.
NASA Astrophysics Data System (ADS)
Chistyakova, N. I.; Rusakov, V. S.; Shapkin, A. A.; Zhilina, T. N.; Zavarzina, D. G.; Lančok, A.; Kohout, J.
2010-07-01
Anaerobic alkaliphilic bacterium of Geoalkalibacter ferrihydriticus type (strain Z-0531), isolated from a bottom sediment sample from the weakly mineralized soda Lake Khadyn, have been analyzed. The strain uses the amorphous Fe(III)-hydroxide (AFH) as an electron acceptor and acetate CH3COO- as an electron donor. Mössbauer investigations of solid phase samples obtained during the process of the bacterium growth were carried out at room temperature, 77.8 K, 4.2 K without and with the presence of an external magnetic field (6 T) applied perpendicular to the γ-bebam.
Long, Yaqiong; Yang, Jing; Gao, Xin; Xu, Xuena; Fan, Weiliu; Yang, Jian; Hou, Shifeng; Qian, Yitai
2018-04-04
Transition-metal sulfides/selenides are explored as advanced electrode materials for nonaqueous sodium-ion capacitors, using FeS 2- x Se x as an example. A solid solution of S/Se in FeS 2- x Se x allows it to combine the high capacity of FeS 2 and the good diffusion kinetics of FeSe 2 together, thereby exhibiting excellent cycle stability (∼220 mA h g -1 after 6000 cycles at 2 A g -1 ) and superior rate capability (∼210 mA h g -1 at 40 A g -1 ) within 0.8-3.0 V. These results are much better than those of FeS 2 and FeSe 2 , confirming the advantages of S/Se solid solution, as supported by EIS spectra, DFT calculations, and electronic conductivity. As FeS 2- x Se x is paired with the activated carbon (AC) as Na-ion capacitors, this device is also better than sodium-ion batteries of FeS 2- x Se x //Na 3 V 2 (PO 4 ) 3 and sodium-ion capacitors of metal oxides//AC, particularly at high rates. These results open a new door for the applications of sulfides/selenides in another device of electrochemical energy storage.
Frandsen, Benjamin A.; Taddei, Keith M.; Yi, Ming; ...
2017-10-30
We report on temperature-dependent pair distribution function measurements of Sr 1-xNa xFe 2As 2, an iron-based superconductor system that contains a magnetic phase with reentrant tetragonal symmetry, known as the magnetic C 4 phase. Quantitative refinements indicate that the instantaneous local structure in the C 4 phase comprises fluctuating orthorhombic regions with a length scale of similar to 2 nm, despite the tetragonal symmetry of the average static structure. Additionally, local orthorhombic fluctuations exist on a similar length scale at temperatures well into the paramagnetic tetragonal phase. Furthermore, these results highlight the exceptionally large nematic susceptibility of iron-based superconductors andmore » have significant implications for the magnetic C 4 phase and the neighboring C 2 and superconducting phases.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Frandsen, Benjamin A.; Taddei, Keith M.; Yi, Ming
We report on temperature-dependent pair distribution function measurements of Sr 1-xNa xFe 2As 2, an iron-based superconductor system that contains a magnetic phase with reentrant tetragonal symmetry, known as the magnetic C 4 phase. Quantitative refinements indicate that the instantaneous local structure in the C 4 phase comprises fluctuating orthorhombic regions with a length scale of similar to 2 nm, despite the tetragonal symmetry of the average static structure. Additionally, local orthorhombic fluctuations exist on a similar length scale at temperatures well into the paramagnetic tetragonal phase. Furthermore, these results highlight the exceptionally large nematic susceptibility of iron-based superconductors andmore » have significant implications for the magnetic C 4 phase and the neighboring C 2 and superconducting phases.« less
The isotopic effects of electron transfer: an explanation for Fe isotope fractionation in nature
NASA Astrophysics Data System (ADS)
Kavner, A.; Shahar, A.; Bonet, F.; Simon, J. I.; Young, E.
2004-12-01
δ 57Fe values of -0.145(±.011) and -3.354(±.019)‰ . The slope of the line created by plotting δ 56Fe vs δ 57Fe is equal to 0.6723(±.0032), consistent with fractionation due to a kinetic process involving unsolvated iron atoms. This study demonstrates that there is a voltage-dependent isotope fractionation associated with the reduction of iron. The magnitude of fractionation is similar to observations of Fe reduction by certain bacteria, suggesting that electrochemical processes may be responsible for observed biogeochemical signatures. Charge transfer is a fundamental physicochemical process involving Fe as well as other transition metals with multiple isotopes. Partitioning of isotopes among elements with varying redox states holds promise as a tool in a wide range of the Earth and environmental sciences, biology, and industry.
NASA Astrophysics Data System (ADS)
van Genuchten, C. M.; Pena, J.; Addy, S. E.; Gadgil, A. J.
2012-12-01
-ranged atomic pair correlations as 2-line ferrihydrite (2LFH), rather than lepidocrocite (Lp) which is generated in an NaCl electrolyte. However, when Ca or Mg is added to oxyanion electrolytes, Fe-Fe polymerization and particle size both tend to increase and a Lp-like material with characteristic Fe-O and Fe-Fe pair correlations is once again favored. The presence of either Ca or Mg also enhances the removal P, As(V), and to a lesser extent, Si per mass of Fe. The analysis from EXAFS and PDF spectra provide new insights into the polyhedral connectivity of nanoscale oxyanion-bearing HFO formed under a wide range of chemical conditions, improving predictions of EC performance in the field and allowing for knowledge-based improvements in the design of future EC systems. Our PDF data also show that the most disordered EC precipitate samples (formed at high oxyanion/Fe ratios) all share a similar "backbone" of 3-4 peaks beyond the first 4 Å, regardless of the oxyanion present during synthesis. Using 2LFH as a reference, we index all atomic pair correlations throughout the coherently scattering structure of our disordered samples.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kotova, Irina Yu.; Buryat State University, Smolin St. 24a, Ulan-Ude 670000, Buryat Republic; Solodovnikov, Sergey F.
Triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) of the NaMg{sub 3}In(MoO{sub 4}){sub 5} type were synthesized and single crystals of AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) were grown. In their structures, the MoO{sub 4} tetrahedra, pairs and trimers of edge-shared (Mg, R)O{sub 6} octahedra are connected by common vertices to form a 3D framework. Large framework cavities involve Ag{sup +} cations disordered on three nearby positions with CN=3+1 or 4+1. Alternating (Mg, R)O{sub 6} octahedra and MoO{sub 4} tetrahedra in the framework form quadrangular windows penetrable for Ag{sup +} at elevated temperatures.more » Above 653–673 K, the newly obtained molybdates demonstrate abrupt reduction of the activation energy to 0.4–0.6 eV. At 773 K, AgMg{sub 3}Al(MoO{sub 4}){sub 5} shows electric conductivity 2.5·10{sup −2} S/cm and E{sub a}=0.39 eV compatible with characteristics of the best ionic conductors of the NASICON type. - Graphical abstract: Triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) of the NaMg{sub 3}In(MoO{sub 4}){sub 5} type were synthesized, AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) were structurally characterized, ion-conductive properties of AgMg{sub 3}Al(MoO{sub 4}){sub 5} were measured. Display Omitted - Highlights: • Triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) of the NaMg{sub 3}In(MoO{sub 4}){sub 5} type were synthesized. • Single crystals of AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) were grown and their crystal structures were determined. • Disordering Ag{sup +} ions and penetrable framework structures of AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) suggest 2D-character of silver-ion mobility. • Measured ion-conductive properties of AgMg{sub 3}Al(MoO{sub 4}){sub 5} are compatible with characteristics of the best ionic conductors of the NASICON type.« less
NASA Astrophysics Data System (ADS)
Dorfman, S. M.; Holl, C. M.; Meng, Y.; Prakapenka, V.; Duffy, T. S.
2010-12-01
Fe-enrichment in the deep lower mantle has been proposed as an explanation for seismic anomalies such as large low shear velocity provinces (LLSVPs) and ultralow velocity zones (ULVZs). In order to resolve the effect of Fe on the stability and equation of state of the lower mantle’s dominant constituent, (Mg,Fe)SiO3 perovskite, we have studied Fe-rich natural orthopyroxenes, (Mg0.61Fe0.37Ca0.02)SiO3 and (Mg0.25Fe0.70Ca0.05)SiO3 (compositions determined by microprobe analysis), at lower mantle P-T conditions. Pyroxene starting materials were mixed with Au (pressure calibrant and laser absorber) and loaded with NaCl or Ne (pressure medium and thermal insulator) in a symmetric diamond anvil cell. X-ray diffraction experiments at pressures up to 122 GPa with in-situ laser heating were performed at the GSECARS (13-ID-D) and HPCAT (16-ID-B) sectors of the Advanced Photon Source. Heating samples to 2000 K produced single-phase orthorhombic GdFeO3-type perovskite at 63 GPa for the Mg# 61 composition and at 72 GPa for the Mg# 25 composition. At lower pressures (56 GPa for Mg# 61, 67 GPa for Mg# 25), heating both compositions resulted in a mixture of perovskite, SiO2 and (Mg,Fe)O. These measurements provide new constraints on the dependence of (Mg,Fe)SiO3 perovskite stability on pressure and composition. Upon further compression to 93 GPa and higher pressures with laser heating, Mg# 25 perovskite transformed to a two-phase mixture of perovskite and post-perovskite. This is consistent with previous findings that Fe substitution destabilizes (Mg,Fe)SiO3 perovskite relative to (Mg,Fe)SiO3 post-perovskite (Mao et al. 2004, Caracas and Cohen 2005). The bulk modulus at 80 GPa (K80) is ~550 GPa for both Fe-rich perovskites, comparable to values measured for MgSiO3 perovskite (Lundin et al. 2008). However, the volume of Fe-rich perovskites increases linearly with Fe-content. The (Mg0.25Fe0.70Ca0.05)SiO3 perovskite is 3% greater at 80 GPa than V80 for the Mg end
[Elimination of As(V) by bead cellulose adsorbent loaded with Fe (beta-FeOOH) from groundwater].
Guo, Xue-jun; Chen, Fu-hua
2005-05-01
A new adsorbent, bead cellulose impregnated with Fe oxide hydroxide (beta-FeOOH) was prepared, which is porous and has excellent mechanical properties. The content of iron, the reactive center of the adsorbent was 360 mg/mL at the most (50% in mass). Batch sorption experiments show that the adsorbent had 15.6 mg/mL (33.2 mg/g) of As(V) maximum sorption while the iron content was 220 mg/mL. The adsorbent had good kinetic property for arsenate and the adsorption equilibrium reached in 10 h. The sorption kinetic data can be described by Lagergren pseudo-second order rate equation. The addition of chloride, sulfate and silicate did not affecte the arsenic adsorption. The column experiment indicated that the breakthrough bed volume was 5000 BV while influent As(V) concentration was 500 microg/L and empty contact time was 5.9 min. The spent adsorbent can be regenerated eluting with 1.5 mol x L(-1) NaOH solutions, and the desorption and regeneration process were more than 90%. The FeOOH was chemically stable during the column adsorption and regeneration. The preparation method is simple and innovative. The adsorbent has good future applying for the arsenic removal from groundwater and drinking water.
The isotopic effects of electron transfer: An explanation for Fe isotope fractionation in nature
NASA Astrophysics Data System (ADS)
Kavner, Abby; Bonet, François; Shahar, Anat; Simon, Justin; Young, Edward
2005-06-01
Isotope fractionation of electroplated Fe was measured as a function of applied electrochemical potential. As plating voltage was varied from -0.9 V to 2.0 V, the isotopic signature of the electroplated iron became depleted in heavy Fe, with δ 56Fe values (relative to IRMM-14) ranging from -0.18(±0.02) to -2.290(±0.006) ‰, and corresponding δ 57Fe values of -0.247(±0.014) and -3.354(±0.019) ‰. This study demonstrates that there is a voltage-dependent isotope fractionation associated with the reduction of iron. We show that Marcus's theory for the kinetics of electron transfer can be extended to include the isotope effects of electron transfer, and that the extended theory accounts for the voltage dependence of Fe isotope fractionation. The magnitude of the electrochemically-induced fractionation is similar to that of Fe reduction by certain bacteria, suggesting that similar electrochemical processes may be responsible for biogeochemical Fe isotope effects. Charge transfer is a fundamental physicochemical process involving Fe as well as other transition metals with multiple isotopes. Partitioning of isotopes among elements with varying redox states holds promise as a tool in a wide range of the Earth and environmental sciences, biology, and industry.
Na2.5Fe1.75(SO4)3/Ketjen/rGO: An advanced cathode composite for sodium ion batteries
NASA Astrophysics Data System (ADS)
Goñi, A.; Iturrondobeitia, A.; Gil de Muro, I.; Lezama, L.; Rojo, T.
2017-11-01
An advanced cathode composite Na2.5Fe1.75(SO4)3/Ketjen/rGO for sodium ion batteries has been prepared, joining together the excellent electrochemical properties of the three components: off stoichiometric iron sulfate alluaudite, Ketjen Black carbon and reduced graphene oxide (rGO). This electrode material has been exhaustively characterized by XRD, thermogravimetric analysis, Raman spectroscopy and SEM and TEM microscopy. The study has demonstrated that a high quality electrode material has been designed containing a porous sulfate core properly coated by interweaved rGO fibers and Ketjen Black nanoparticles. The electrochemical study has revealed an excellent performance providing specific capacities close to the theoretical one at 1C. Additionally, this composite has shown a very good rate capability and a great cycling stability for at least 200 cycles maintaining a coulombic efficiency of 96%. The post mortem analysis, which includes EPR and XPS measurements, has demonstrated that the carbonaceous coating on the composite generates a stable and protective SEI layer over the active material guaranteeing a successful performance during a long cycle life.
Crystal structure and europium luminescence of NaMgH3-xFx
NASA Astrophysics Data System (ADS)
Pflug, Christian; Franz, Alexandra; Kohlmann, Holger
2018-02-01
The solid solution series NaMgH3-xFx (x = 0, 0.5, 1, 1.5, 2, 2.5, 3) was synthesized by solid-state reactions under hydrogen gas pressure from binary ionic hydrides, fluorides and magnesium. Rietveld refinement based on X-ray powder diffraction data revealed the GdFeO3-structure type for all compounds and a trend of lattice parameters according to Vegard's law. The anion distribution in NaMgD2F and NaMgD1.5F1.5 was found to be statistical by Rietveld refinement based on neutron powder diffraction data. Photoluminescence measurements on europium(II) substituted NaMgH3-xFx revealed a strong red shift of the emission wavelength (λem = 665 nm for NaMgH2F:Eu) in comparison to violet emitting NaMgF3:Eu.
A new set of K3Fe3(PO4)4·yH2O (0 ≤ y ≤ 1) layered phases obtained by topotactic reactions
NASA Astrophysics Data System (ADS)
Trad, Khiem; Wattiaux, Alain; Ben Amara, Mongi; Delmas, Claude; Carlier, Dany
2018-06-01
K3Fe3(PO4)4·H2O powder was synthesized by Na+/K+ exchange reaction from Na3Fe3(PO4)4 in aqueous medium. The replacement of the sodium cations by the potassium larger ones and water molecules causes a structural distortion leading to P2/n monoclinic K3Fe3(PO4)4·H2O. This new layered phase was characterized by XRD, Mössbauer spectroscopy and magnetic measurements. The study of its thermal stability reveals that other new layered K3Fe3(PO4)4·yH2O with (0 ≤ y ≤ 1) phases can be stabilized up to 600 °C and finally at higher temperature a new K3Fe3(PO4)4 polymorph with a different structural type is irreversibility formed.
NASA Astrophysics Data System (ADS)
Lee, Joonsik; Jung, Byung Mun; Lee, Sang Bok; Lee, Sang Kwan; Kim, Ki Hyeon
2017-09-01
To evaluate the electromagnetic (EM) absorption and shield of magnetic composite sheet, we prepared the FeCoNi coated glass fibers filled in composite sheet. The FeCoNi was coated by electroless plating on glass fiber as a filler. The coated FeCoNi found that consist of mixtures of bcc and fcc phase. The magnetization and coercivity of coated FeCoNi are about 110 emu/g and 57 Oe, respectively. The permittivity and permeability of the FeCoNi composite sheet were about 21 and 1, respectively. Power absorption increased 95% with the increment of frequency up to 10 GHz. Inter-decoupling of this composite sheet showed maximum 30 dB at around 5.3 GHz, which is comparable to that of a conductive Cu foil. Shielding effectiveness (SE) was measured by using rectangular waveguide method. SE of composite obtained about 37 dB at X-band frequency region.
Lauterbach, Lars; Wang, Hongxin; Horch, Marius; ...
2014-10-30
Hydrogenases are complex metalloenzymes that catalyze the reversible splitting of molecular hydrogen into protons and electrons essentially without overpotential. The NAD+-reducing soluble hydrogenase (SH) from Ralstonia eutropha is capable of H 2 conversion even in the presence of usually toxic dioxygen. The molecular details of the underlying reactions are largely unknown, mainly because of limited knowledge of the structure and function of the various metal cofactors present in the enzyme. Here, all iron-containing cofactors of the SH were investigated by 57Fe specific nuclear resonance vibrational spectroscopy (NRVS). Our data provide experimental evidence for one [2Fe2S] center and four [4Fe4S] clusters,more » which is consistent with the amino acid sequence composition. Only the [2Fe2S] cluster and one of the four [4Fe4S] clusters were reduced upon incubation of the SH with NADH. This finding explains the discrepancy between the large number of FeS clusters and the small amount of FeS cluster-related signals as detected by electron paramagnetic resonance spectroscopic analysis of several NAD+-reducing hydrogenases. For the first time, Fe–CO and Fe–CN modes derived from the [NiFe] active site could be distinguished by NRVS through selective 13C labeling of the CO ligand. This strategy also revealed the molecular coordinates that dominate the individual Fe–CO modes. The present approach explores the complex vibrational signature of the Fe–S clusters and the hydrogenase active site, thereby showing that NRVS represents a powerful tool for the elucidation of complex biocatalysts containing multiple cofactors.« less
Magnetic and transport properties of Fe-based nanocrystalline materials
NASA Astrophysics Data System (ADS)
Barandiarán, J. M.
1994-01-01
Fe-rich amorphous alloys containing late transition metals like Nb, V, Zr,..., sometimes with the addition of Cu, can crystallize in ultrafine grains of a crystalline phase, a few nanometers in diameter, embedded in a disordered matrix. In such state they have shown excellent soft magnetic properties for technical applications, rising the interest for deep studies. In this paper, recent work on some Fe-Nb and Fe-Zr based alloys both in amorphous state and after several degrees of nanocrystallization is presented. The nanocrystallization process has been achieved by conventional heat treatments (about 1 h at temperatures around 400-500 °C in a controlled atmosphere furnance) as well as by Joule heating using an electrical current flowing through the sample. Magnetic measurements, electrical resistivity, x-rays diffraction and 57Fe Mössbauer spectroscopy were used in the study of the crystalline phases appearing after the thermal treatments. The basic magnetic and transport properties of the nanocrystals do not differ appreciably from their bulk values. The magnetic anisotropy, however, is very sensitive to grain size and to the intergranular magnetic coupling. The effect of such coupling is deduced from the coercivity changes at the Curie Temperature of the amorphous matrix remaining after nanocrystallization.
NASA Astrophysics Data System (ADS)
Dolejš, David; Wagner, Thomas
2008-01-01
We present the results of thermodynamic modeling of fluid-rock interaction in the system Si-Al-Fe-Mg-Ca-Na-H-O-Cl using the GEM-Selektor Gibbs free energy minimization code. Combination of non-ideal mixing properties in solids with multicomponent aqueous fluids represents a substantial improvement and it provides increased accuracy over existing modeling strategies. Application to the 10-component system allows us to link fluid composition and speciation with whole-rock mineralogy, mass and volume changes. We have simulated granite-fluid interaction over a wide range of conditions (200-600 °C, 100 MPa, 0-5 m Cl and fluid/rock ratios of 10-2-104) in order to explore composition of magmatic fluids of variable salinity, temperature effects on fluid composition and speciation and to simulate several paths of alteration zoning. At low fluid/rock ratios (f/r) the fluid composition is buffered by the silicate-oxide assemblage and remains close to invariant. This behavior extends to a f/r of 0.1 which exceeds the amount of exsolved magmatic fluids controlled by water solubility in silicate melts. With increasing peraluminosity of the parental granite, the Na-, K- and Fe-bearing fluids become more acidic and the oxidation state increases as a consequence of hydrogen and ferrous iron transfer to the fluid. With decreasing temperature, saline fluids become more Ca- and Na-rich, change from weakly acidic to alkaline, and become significantly more oxidizing. Large variations in Ca/Fe and Ca/Mg ratios in the fluid are a potential geothermometer. The mineral assemblage changes from cordierite-biotite granites through two-mica granites to chlorite-, epidote- and zeolite-bearing rocks. We have carried out three rock-titration simulations: (1) reaction with the 2 m NaCl fluid leads to albitization, chloritization and desilication, reproducing essential features observed in episyenites, (2) infiltration of a high-temperature fluid into the granite at 400 °C leads to hydrolytic
NASA Astrophysics Data System (ADS)
Yi, Lanhua; Wei, Wei; Zhao, Caixian; Tian, Li; Liu, Jing; Wang, Xianyou
2015-07-01
Carbon supported Au-Fe bimetallic nanocatalysts (Au-Fe/C) are facilely prepared via a modified NaBH4 reduction method in aqueous solution at room temperature, and used as the anode electrocatalyst of direct borohydride-hydrogen peroxide fuel cell (DBHFC). The physical and electrochemical properties of the Au-Fe/C electrocatalysts are characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), cyclic voltammetry (CV), rotating disc electrode (RDE) voltammetry, chronoamperometry (CA), chronopotentiometry (CP), and fuel cell test. The results show that Au-Fe/C catalysts display higher catalytic activity for the direct electrooxidation of BH4- than carbon supported pure Au nanocatalyst (Au/C), especially Au50Fe50/C catalyst presents the highest catalytic activity among all as-prepared catalysts. Besides, the single DBHFC with Au50Fe50/C anode and Au/C cathode obtains the maximum power density as high as 34.9 mW cm-2 at 25 °C.
Wu, Yang; Wei, Yang; Wang, Jiaping; Jiang, Kaili; Fan, Shoushan
2013-02-13
A uniform Fe(3)O(4) sheath is magnetron sputtered onto aligned carbon nanotube (CNT) scaffolds that are directly drawn from CNT arrays. The Fe(3)O(4)-CNT composite electrode, with the size of Fe(3)O(4) confined to 5-7 nm, exhibits a high reversible capacity over 800 mAh g(-1) based on the total electrode mass, remarkable capacity retention, as well as high rate capability. The excellent performance is attributable to the superior electrical conductivity of CNTs, the uniform loading of Fe(3)O(4) sheath, and the structural retention of the composite anode on cycling. As Fe(3)O(4) is inexpensive and environmentally friendly, and the synthesis of Fe(3)O(4)-CNT is free of chemical wastes, this composite anode material holds considerable promise for high-performance lithium ion batteries.
de Ruiter, Graham; Carsch, Kurtis M.; Gul, Sheraz; ...
2017-03-24
In this paper, we report the synthesis, characterization, and reactivity of [LFe 3(PhPz) 3OMn( sPhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene–metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2Fe IIMn II vs. Fe III 3Mn II) influence oxygen atom transfer in tetranuclear Fe 3Mn clusters. Finally, in particular, a one-electron redox change atmore » a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhuravlev, B. V., E-mail: zhurav@ippe.ru; Titarenko, N. N.
The spectra of neutrons from the reactions {sup 49}Ti(p, n){sup 49}V and {sup 57}Fe (p, n){sup 57}Co were measured in the range of proton energies between 8 and 11 MeV along with their counterparts from the reactions {sup 48}Ti(d, n){sup 49}V and {sup 56}Fe (d, n){sup 57}Co at the deuteron energies of 2.7 and 3.8 MeV. These measurements were conducted with the aid of a time-of-flight fast-neutron spectrometer on the basis of the EGP-15 pulsed tandem accelerator of the Institute for Physics and Power Engineering (IPPE, Obninsk). An analysis of measured data was performed within the statistical equilibrium and preequilibriummore » models of nuclear reactions. The respective calculations based on the Hauser–Feshbach formalism of statistical theory were carried out with nuclear-level densities given by the generalized superfluid model of the nucleus, the backshifted Fermi-gas model, and the Gilbert–Cameron composite formula. The nuclear-level densities of {sup 49}V and {sup 57}Co and their energy dependences were determined. The results were discussed together with available experimental data and data recommended by model systematics.« less
Accelerated hematopoietic toxicity by high energy (56)Fe radiation.
Datta, Kamal; Suman, Shubhankar; Trani, Daniela; Doiron, Kathryn; Rotolo, Jimmy A; Kallakury, Bhaskar V S; Kolesnick, Richard; Cole, Michael F; Fornace, Albert J
2012-03-01
There is little information on the relative toxicity of highly charged (Z) high-energy (HZE) radiation in animal models compared to γ or X-rays, and the general assumption based on in vitro studies has been that acute toxicity is substantially greater. C57BL/6J mice were irradiated with (56)Fe ions (1 GeV/nucleon), and acute (within 30 d) toxicity compared to that of γ rays or protons (1 GeV). To assess relative hematopoietic and gastrointestinal toxicity, the effects of (56)Fe ions were compared to γ rays using complete blood count (CBC), bone marrow granulocyte-macrophage colony forming unit (GM-CFU), terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) assay for apoptosis in bone marrow, and intestinal crypt survival. Although onset was more rapid, (56)Fe ions were only slightly more toxic than γ rays or protons with lethal dose (LD)(50/30) (a radiation dose at which 50% lethality occurs at 30-day) values of 5.8, 7.25, and 6.8 Gy, respectively, with relative biologic effectiveness for (56)Fe ions of 1.25 and 1.06 for protons. (56)Fe radiation caused accelerated and more severe hematopoietic toxicity. Early mortality correlated with more profound leukopenia and subsequent sepsis. Results indicate that there is selective enhanced toxicity to bone marrow progenitor cells, which are typically resistant to γ rays, and bone marrow stem cells, because intestinal crypt cells did not show increased HZE toxicity.
Legrand, Ludovic; El Figuigui, Alaaeddine; Mercier, Florence; Chausse, Annie
2004-09-01
This work describes the heterogeneous reaction between FeII in carbonate green rust and aqueous chromate, in NaHCO3 solutions at 25 degrees C, and at pH values of 9.3-9.6. Evidence for reduction of CrVI to CrIII and concomitant solid-state oxidation of lattice FeII to FeIII was found from FeII titration and from structural analysis of the solids using FTIR, XRD, SEM, and XPS methods. Results indicate the formation of ferric oxyhydroxycarbonate and the concomitant precipitation of CrIII monolayers at the surface of the iron compound that induce passivation effects and progressive rate limitations. The number of CrIII monolayers formed at the completion of the reaction depends on [FeII]t=0, the molar concentration of FeII(solid) at t=0; on [n(o)]t=0, the molar concentration of reaction sites present at the surface of the solid phase at t=0; and on [CrVI]t=0, the molar concentration of CrVI at t=0. Kinetic data were modeled using a model based on the formation of successive CrIII monolayers, -(d[CrVI]/dt) = sigma(1)j k(i)[S] [CrVI]([n(i - 1)] - [n(i)]) with k(i)[S] (in s(-1) L mol(-1)), the rate coefficient of formation of CrIII monolayer i, and [n(i)] and [n(i - 1)], the molar concentration of CrIII precipitated in monolayer i and monolayer i - 1, respectively. Good matching curves were obtained with kinetic coefficients: k(1)[S] = 5-8 x 10(-4), k(2)[S] = 0.5-3 x 10(-5), and k(3)[S] about 1.7 x 10(-6) s(-1) m(-2) L. The CrVI removal efficiency progressively decreases along with the accumulation of CrIII monolayers at the surface of carbonate green rust particles. In the case of thick green rust particles resulting from the corrosion of iron in permeable reactive barriers, the quantity of FeII readily accessible for efficient CrVI removal should be rather low.
Lei, Zhongli; Ren, Na; Li, Yanli; Li, Na; Mu, Bo
2009-02-25
Polymer nanocomposite microspheres (PNCMs) as solid supports can improve the efficiency of immobilized enzymes by reducing diffusional limitation as well as by increasing the surface area per mass unit. In this work, pectinase was immobilized on Fe(3)O(4)/SiO2-g-poly(PSStNa) nanocomposite microspheres by covalent attachment. Biochemical studies showed an improved storage stability of the immobilized pectinase as well as enhanced performance at higher temperatures and over a wider pH range. The immobilized enzyme retained >50% of its initial activity over 30 days, and the optimum temperature and pH also increased to the ranges of 50-60 degrees C and 3.0-4.7, respectively. The kinetics of a model reaction catalyzed by the immobilized pectinase was finally investigated by the Michaelis-Menten equation. The PSStNa support presents a very simple, mild, and time-saving process for enzyme immobilization, and this strategy of immobilizing pectinase also makes use of expensive enzymes economically viable, strengthening repeated use of them as catalysts following their rapid and easy separation with a magnet.
Aluminum affects heterogeneous Fe(III) (Hydr)oxide nucleation, growth, and ostwald ripening.
Hu, Yandi; Li, Qingyun; Lee, Byeongdu; Jun, Young-Shin
2014-01-01
Heterogeneous coprecipitation of iron and aluminum oxides is an important process for pollutant immobilization and removal in natural and engineered aqueous environments. Here, using a synchrotron-based small-angle X-ray scattering technique, we studied heterogeneous nucleation and growth of Fe(III) (hydr)oxide on quartz under conditions found in acid mine drainage (at pH = 3.7 ± 0.2, [Fe(3+)] = 10(-4) M) with different initial aqueous Al/Fe ratios (0:1, 1:1, and 5:1). Interestingly, although the atomic ratios of Al/Fe in the newly formed Fe(III) (hydr)oxide precipitates were less than 1%, the in situ particle size and volume evolutions of the precipitates on quartz were significantly influenced by aqueous Al/Fe ratios. At the end of the 3 h experiments, with aqueous Al/Fe ratios of 0:1, 1:1, and 5:1, the average radii of gyration of particles on quartz were 5.7 ± 0.3, 4.6 ± 0.1, and 3.7 ± 0.3 nm, respectively, and the ratio of total particle volumes on quartz was 1.7:3.4:1.0. The Fe(III) (hydr)oxide precipitates were poorly crystallized, and were positively charged in all solutions. In the presence of Al(3+), Al(3+) adsorption onto quartz changed the surface charge of quartz from negative to positive, which caused the slower heterogeneous growth of Fe(III) (hydr)oxide on quartz. Furthermore, Al affected the amount of water included in the Fe(III) (hydr)oxides, which can influence their adsorption capacity. This study yielded important information usable for pollutant removal not only in natural environments, but also in engineered water treatment processes.
Casutt, Marco S.; Huber, Tamara; Brunisholz, René; Tao, Minli; Fritz, Günter; Steuber, Julia
2010-01-01
The sodium ion-translocating NADH:quinone oxidoreductase (Na+-NQR) from the human pathogen Vibrio cholerae is a respiratory membrane protein complex that couples the oxidation of NADH to the transport of Na+ across the bacterial membrane. The Na+-NQR comprises the six subunits NqrABCDEF, but the stoichiometry and arrangement of these subunits are unknown. Redox-active cofactors are FAD and a 2Fe-2S cluster on NqrF, covalently attached FMNs on NqrB and NqrC, and riboflavin and ubiquinone-8 with unknown localization in the complex. By analyzing the cofactor content and NADH oxidation activity of subcomplexes of the Na+-NQR lacking individual subunits, the riboflavin cofactor was unequivocally assigned to the membrane-bound NqrB subunit. Quantitative analysis of the N-terminal amino acids of the holo-complex revealed that NqrB is present in a single copy in the holo-complex. It is concluded that the hydrophobic NqrB harbors one riboflavin in addition to its covalently attached FMN. The catalytic role of two flavins in subunit NqrB during the reduction of ubiquinone to ubiquinol by the Na+-NQR is discussed. PMID:20558724
The effect of FeF2 on the magneto-optic response in FeF2/Fe/FeF2 sandwiches
NASA Astrophysics Data System (ADS)
Pištora, J.; Lesňák, M.; Lišková, E.; Višňovský, Š.; Harward, I.; Maslankiewicz, P.; Balin, K.; Celinski, Z.; Mistrík, J.; Yamaguchi, T.; Lopusnik, R.; Vlček, J.
2010-04-01
The room temperature optical constants n and k of MBE grown FeF2 films are reported. Because of poor chemical stability, FeF2 had to be coated with a protective Au layer. Reflection spectral ellipsometry in the photon energy range between 1.3 and 5.2 eV was performed on structures with a typical profile Au(0.5 nm)/FeF2(120 nm)/Au(30 nm)/Ag(20 nm)/Fe(0.6 nm) grown on GaAs(0 0 1) substrate. The spectra of n and k in FeF2 were subsequently employed in the design of FeF2/Fe/FeF2 sandwiches considered as magneto-optic (MO) sensors for weak microwave currents. Their MO response was evaluated using reflection MO (Kerr) spectroscopy at polar magnetization. The present results may be of interest in MO studies of magnetic nanostructures with Fe/FeF2/Fe, including MO magnetometry and MO magnetic domain imaging.
NASA Astrophysics Data System (ADS)
Chechev, Valery P.; Kuzmenko, Nikolay K.
2016-02-01
Updated evaluations of the half-lives and prominent gamma ray intensities have been presented for 20 radionuclides - dosimetry reaction residuals. The new values of these decay characteristics recommended for the IRDFF library were obtained using the approaches and methodology adopted by the working group of the Decay Data Evaluation Project (DDEP) cooperation. The experimental data published up to 2014 were taken into account in updated evaluations. The list of radionuclides includes 3H, 18F, 22Na, 24Na, 46Sc, 51Cr, 54Mn, 59Fe, 57Co, 60Co, 57Ni, 64Cu, 88Y, 132Te, 131I, 140Ba, 140La, 141Ce, 182Ta, 198Au.
Textured Nd2Fe14B flakes with enhanced coercivity
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cui, BZ; Zheng, LY; Marinescu, M
2012-04-01
Morphology, structure, and magnetic properties of the [001] textured Nd2Fe14B nanocrystalline flakes prepared by surfactant-assisted high energy ball milling (HEBM) and subsequent annealing were studied. These flakes have a thickness of 80-200 nm, a length of 0.5-10 mu m, and an average grain size of 10-14nm. The addition of some amount of Dy, Nd70Cu30 alloy, and an appropriate post annealing increased the coercivity H-i(c) of the Nd2Fe14B flakes. iHc was 3.7, 4.3, and 5.7 kOe for the Nd15.5Fe78.5B6, Nd14Dy1.5Fe78.5B6 and 83.3wt.% Nd14Dy1.5Fe78.5B6+16.7 wt.% Nd70Cu30 flakes prepared by HEBM for 5 h in heptane with 20 wt.% oleylamine, respectively. After annealingmore » at 450 degrees C for 0.5h, their iHc increased to 5.1, 6.2, and 7.0 kOe, respectively. Anisotropic magnetic behavior was found in all of the as-milled and annealed flakes. Both, the thickening of Nd-rich phase at grain boundaries via diffusion of Nd70Cu30 and the surface modification of the Nd2Fe14B flake could be the main reasons for the coercivity enhancement in the as-milled and annealed Nd70Cu30-added Nd2Fe14B flakes. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3679425]« less
Investigation of the {Fe}/{Si} interface and its phase transformations
NASA Astrophysics Data System (ADS)
Fanciulli, M.; Degroote, S.; Weyer, G.; Langouche, G.
1997-04-01
Thin 57Fe films (3-10 Å) have been grown by molecular beam epitaxy (MBE) on (7 × 7) reconstructed Si(111) and (2 × 1) reconstructed Si(001) surfaces and by e-gun evaporation on an H-terminated Si(111) surface. Conversion electron Mössbauer spectroscopy (CEMS) with high statistical accuracy and resolution allowed a detailed microscopic investigation of the silicide formation mechanism and of the structural phase transformations upon annealing.
Siljic, Marina; Salemovic, Dubravka; Cirkovic, Valentina; Pesic-Pavlovic, Ivana; Todorovic, Marija; Ranin, Jovan; Dragovic, Gordana; Jevtovic, Djordje; Stanojevic, Maja
2017-01-01
Abacavir is an effective antiretroviral drug and one of the most commonly used nucleoside reverse transcriptase inhibitors in Serbia. А percentage of the treated patients experience a potentially life-threatening hypersensitivity reaction, which was shown to be associated with the presence of the class I MHC allele, HLA-B*57:01; hence genotyping for HLA-B*57:01 prior to starting abacavir is nowadays recommended in international HIV treatment guidelines. In Serbia, this testing became available in 2013. This study was designed to estimate the prevalence of the HLA-B*57:01 allele in Serbian HIV-1-infected patients. The presence of the HLA-B*57:01 allele was analyzed in 273 HIV-1-infected patients aged 18 years or more, who were abacavir naïve. Buccal swab samples were obtained from all participants and assayed for the presence of HLA-B*57:01 using a commercially available HLA-B*57:01 real-time PCR kit. The presence of the HLA-B*57:01 allele was found in 22 of 273 tested individuals (8%; 95% CI 5.4-11.9%). This is the first study that estimated the HLA-B*57:01 prevalence among HIV-infected patients in Serbia. The very high prevalence of HLA-B*57:01 found in our study strongly supports HLA-B*57:01 genotyping, which should be implemented prior to the initiation of an abacavir-containing therapy to reduce the risk of potentially life-threatening hypersensitivity reactions. © 2017 S. Karger AG, Basel.
FE analysis of conceptual hybrid composite endodontic post designs in anterior teeth.
Gloria, Antonio; Maietta, Saverio; Martorelli, Massimo; Lanzotti, Antonio; Watts, David C; Ausiello, Pietro
2018-04-24
To assess conceptual designs of dental posts consisting of polyetherimide (PEI) reinforced with carbon (C) and glass (G) glass fibers in endodontically treated anterior teeth. 3D tessellated CAD and geometric models of endodontically treated anterior teeth were generated from Micro-CT scan images. Model C-G/PEI composite posts with different Young's moduli were analyzed by Finite Element (FE) methods post A (57.7GPa), post B (31.6GPa), post C (from 57.7 to 9.0GPa in the coronal-apical direction). A load of 50N was applied at 45° to the longitudinal axis of the tooth, acting on the palatal surface of the crown. The maximum principal stress distribution was determined along the post and at the interface between the post and the surrounding structure. Post C, with Young's modulus decreasing from 57.7 to 9.0GPa in the coronal-apical direction, reduced the maximum principal stress distribution in the restored tooth. Post C gave reduced stress and the most uniform stress distribution with no stress concentration, compared to the other C-G/PEI composite posts. The FE analysis confirmed the ability of the functionally graded post to dissipate stress from the coronal to the apical end. Hence actual (physical) C-G/PEI posts could permit optimization of stress distributions in endodontically treated anterior teeth. Copyright © 2018 The Academy of Dental Materials. Published by Elsevier Inc. All rights reserved.
de Ruiter, Graham; Carsch, Kurtis M; Gul, Sheraz; Chatterjee, Ruchira; Thompson, Niklas B; Takase, Michael K; Yano, Junko; Agapie, Theodor
2017-04-18
We report the synthesis, characterization, and reactivity of [LFe 3 (PhPz) 3 OMn( s PhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene-metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57 Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2 Fe II Mn II vs. Fe III 3 Mn II ) influence oxygen atom transfer in tetranuclear Fe 3 Mn clusters. In particular, a one-electron redox change at a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
NASA Astrophysics Data System (ADS)
Badía-Romano, L.; Rubín, J.; Magén, C.; Bürgler, D. E.; Bartolomé, J.
2014-07-01
The morphology and the quantitative composition of the Fe-Si interface layer forming at each Fe layer of a (Fe/Si)3 multilayer have been determined by means of conversion electron Mössbauer spectroscopy (CEMS) and high-resolution transmission electron microscopy (HRTEM). For the CEMS measurements, each layer was selected by depositing the Mössbauer active 57Fe isotope with 95% enrichment. Samples with Fe layers of nominal thickness dFe = 2.6 nm and Si spacers of dSi = 1.5 nm were prepared by thermal evaporation onto a GaAs(001) substrate with an intermediate Ag(001) buffer layer. HRTEM images showed that Si layers grow amorphous and the epitaxial growth of the Fe is good only for the first deposited layer. The CEMS spectra show that at all Fe/Si and Si/Fe interfaces a paramagnetic c-Fe1-xSi phase is formed, which contains 16% of the nominal Fe deposited in the Fe layer. The bottom Fe layer, which is in contact with the Ag buffer, also contains α-Fe and an Fe1-xSix alloy that cannot be attributed to a single phase. In contrast, the other two layers only comprise an Fe1-xSix alloy with a Si concentration of ≃0.15, but no α-Fe.
Energies and spin states of FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) clusters.
Li, Yan-Ni; Wang, Shengguang; Wang, Tao; Gao, Rui; Geng, Chun-Yu; Li, Yong-Wang; Wang, Jianguo; Jiao, Haijun
2013-04-15
The structures and energies of the electronic ground states of the FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) neutral and anionic clusters have been computed systematically with nine computational methods in combination with seven basis sets. The computed adiabatic electronic affinities (AEA) have been compared with available experimental data. Most reasonable agreements between theory and experiment have been found for both hybrid B3LYP and B3PW91 functionals in conjugation with 6-311+G* and QZVP basis sets. Detailed comparisons between the available experimental and computed AEA data at the B3LYP/6-311+G* level identified the electronic ground state of (5)Δ for FeS, (4)Δ for FeS(-), (5)B2 for FeS2, (6)A1 for FeS2(-), (1)A1 for Fe2S2, (8)A' for Fe2S2(-), (5)A'' for Fe3S4, (6)A'' for Fe3S4(-), (1)A1 for Fe4S4, and (1)A2 for Fe4S4(-). In addition, Fe2S2, Fe3S4, Fe3S4(-), Fe4S4, and Fe4S4(-) are antiferromagnetic at the B3LYP/6-311+G* level. The magnetic properties are discussed on the basis of natural bond orbital analysis. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Spin-isotropic continuum of spin excitations in antiferromagnetically ordered Fe1.07Te
NASA Astrophysics Data System (ADS)
Song, Yu; Lu, Xingye; Regnault, L.-P.; Su, Yixi; Lai, Hsin-Hua; Hu, Wen-Jun; Si, Qimiao; Dai, Pengcheng
2018-02-01
Unconventional superconductivity typically emerges in the presence of quasidegenerate ground states, and the associated intense fluctuations are likely responsible for generating the superconducting state. Here we use polarized neutron scattering to study the spin space anisotropy of spin excitations in Fe1.07Te exhibiting bicollinear antiferromagnetic (AF) order, the parent compound of FeTe1 -xSex superconductors. We confirm that the low-energy spin excitations are transverse spin waves, consistent with a local-moment origin of the bicollinear AF order. While the ordered moments lie in the a b plane in Fe1.07Te , it takes less energy for them to fluctuate out of plane, similar to BaFe2As2 and NaFeAs. At energies above E ≳20 meV, we find magnetic scattering to be dominated by an isotropic continuum that persists up to at least 50 meV. Although the isotropic spin excitations cannot be ascribed to spin waves from a long-range-ordered local-moment antiferromagnet, the continuum can result from the bicollinear magnetic order ground state of Fe1.07Te being quasidegenerate with plaquette magnetic order.
ZnFe2O4-C/LiFePO4-CNT: A Novel High-Power Lithium-Ion Battery with Excellent Cycling Performance
Varzi, Alberto; Bresser, Dominic; von Zamory, Jan; Müller, Franziska; Passerini, Stefano
2014-01-01
An innovative and environmentally friendly battery chemistry is proposed for high power applications. A carbon-coated ZnFe2O4 nanoparticle-based anode and a LiFePO4-multiwalled carbon nanotube-based cathode, both aqueous processed with Na-carboxymethyl cellulose, are combined, for the first time, in a Li-ion full cell with exceptional electrochemical performance. Such novel battery shows remarkable rate capabilities, delivering 50% of its nominal capacity at currents corresponding to ≈20C (with respect to the limiting cathode). Furthermore, the pre-lithiation of the negative electrode offers the possibility of tuning the cell potential and, therefore, achieving remarkable gravimetric energy and power density values of 202 Wh kg−1 and 3.72 W kg−1, respectively, in addition to grant a lithium reservoir. The high reversibility of the system enables sustaining more than 10 000 cycles at elevated C-rates (≈10C with respect to the LiFePO4 cathode), while retaining up to 85% of its initial capacity. PMID:26190956
NASA Astrophysics Data System (ADS)
Yamada, Hideto; Matsuoka, Takayuki; Yamazaki, Masato; Ohbayashi, Kazushige; Ida, Takashi
2018-01-01
The structures of the main (K1- x Na x )NbO3 perovskite in a high-performance lead-free piezoelectric ceramic composite (K1- x Na x )0.86Ca0.04Li0.02Nb0.85O3-δ-K0.85Ti0.85Nb1.15O5-BaZrO3-MgO-Fe2O3 (x = 0.52 and 0.70) with trace amounts of LiMgFeTiO4 inverse spinel and (Li,K)2(Mg,Fe,Ti,Nb)6O13 layered structure have been investigated by transmission electron microscopy (TEM) and synchrotron powder X-ray diffractometry (XRD) with varying temperatures. The bright-field TEM images have shown tetragonal 90°-domain contrasts at 80 and 40 °C, and the XRD profile has been simulated by adding an average structure of two differently oriented tetragonal structures bound by a 90°-domain wall for the x = 0.52 sample. Aggregates of tilted NbO6 nanodomains have been observed in a high-resolution TEM image, and the crossover of P4mm-Amm2 features from 60 to 20 °C and diffuse 2 × 2 × 2 superlattice reflections of the tilted NbO6 Imm2 structure have been observed in XRD data for the x = 0.70 sample.
RNA adducts with Na 2SeO 4 and Na 2SeO 3 - Stability and structural features
NASA Astrophysics Data System (ADS)
Nafisi, Shohreh; Manouchehri, Firouzeh; Montazeri, Maryam
2011-12-01
Selenium compounds are widely available in dietary supplements and have been extensively studied for their antioxidant and anticancer properties. Low blood Se levels were found to be associated with an increased incidence and mortality from various types of cancers. Although many in vivo and clinical trials have been conducted using these compounds, their biochemical and chemical mechanisms of efficacy are the focus of much current research. This study was designed to examine the interaction of Na 2SeO 4 and Na 2SeO 3 with RNA in aqueous solution at physiological conditions, using a constant RNA concentration (6.25 mM) and various sodium selenate and sodium selenite/polynucleotide (phosphate) ratios of 1/80, 1/40, 1/20, 1/10, 1/5, 1/2 and 1/1. Fourier transform infrared, UV-Visible spectroscopic methods were used to determine the drug binding modes, the binding constants, and the stability of Na 2SeO 4 and Na 2SeO 3-RNA complexes in aqueous solution. Spectroscopic evidence showed that Na 2SeO 4 and Na 2SeO 3 bind to the major and minor grooves of RNA ( via G, A and U bases) with some degree of the Se-phosphate (PO 2) interaction for both compounds with overall binding constants of K(Na 2SeO 4-RNA) = 8.34 × 10 3 and K(Na 2SeO 3-RNA) = 4.57 × 10 3 M -1. The order of selenium salts-biopolymer stability was Na 2SeO 4-RNA > Na 2SeO 3-RNA. RNA aggregations occurred at higher selenium concentrations. No biopolymer conformational changes were observed upon Na 2SeO 4 and Na 2SeO 3 interactions, while RNA remains in the A-family structure.
NASA Astrophysics Data System (ADS)
Vanek, A.; Komarek, M.; Galuskova, I.
2012-04-01
Arsenic extractability in As-modified Fe(III) and Mn(III,IV) oxide-coated sands was tested using five widely used 2-h single extraction procedures: deionised water, 0.01 M CaCl2, 1 M NH4NO3, 0.1 M Na2HPO4 and 0.005 DTPA. In general, the highest As recoveries reaching 39-50% of total As concentration were observed for all extracting media in the birnessite (delta-MnO2) system, indicating relatively weak adsorption of As onto the Mn oxides. The Na2HPO4 extracts from the Fe oxide systems (i.e., associated with ferrihydrite and goethite) were highest in As, accounting for up to 34% of total As amount. Surprisingly, comparable recoveries of As (14-20%) yielded deionised water, CaCl2, NH4NO3, DTPA as extracting media for both ferrihydrite and goethite coatings. Deionised water and Na2HPO4 extractions are suggested for quick estimation of easily soluble, exchangeable and/or specifically adsorbed As in real soil/sediment samples.
Ohki, Yasuhiro; Yasumura, Kazunari; Ando, Masaru; Shimokata, Satoko; Tatsumi, Kazuyuki
2010-01-01
A [NiFe] hydrogenase model compound having a distorted trigonal-pyramidal nickel center, (CO)3Fe(μ-StBu)3Ni(SDmp), 1 (Dmp = C6H3-2,6-(mesityl)2), was synthesized from the reaction of the tetranuclear Fe-Ni-Ni-Fe complex [(CO)3Fe(μ-StBu)3Ni]2(μ-Br)2, 2 with NaSDmp at -40 °C. The nickel site of complex 1 was found to add CO or CNtBu at -40 °C to give (CO)3Fe(StBu)(μ-StBu)2Ni(CO)(SDmp), 3, or (CO)3Fe(StBu)(μ-StBu)2Ni(CNtBu)(SDmp), 4, respectively. One of the CO bands of 3, appearing at 2055 cm-1 in the infrared spectrum, was assigned as the Ni-CO band, and this frequency is comparable to those observed for the CO-inhibited forms of [NiFe] hydrogenase. Like the CO-inhibited forms of [NiFe] hydrogenase, the coordination of CO at the nickel site of 1 is reversible, while the CNtBu adduct 4 is more robust. PMID:20147622
Paganini, Daniela; Uyoga, Mary A; Cercamondi, Colin I; Moretti, Diego; Mwasi, Edith; Schwab, Clarissa; Bechtler, Salome; Mutuku, Francis M; Galetti, Valeria; Lacroix, Christophe; Karanja, Simon; Zimmermann, Michael B
2017-10-01
Background: Whether consumption of prebiotics increases iron absorption in infants is unclear. Objective: We set out to determine whether prebiotic consumption affects iron absorption from a micronutrient powder (MNP) containing a mixture of ferrous fumarate and sodium iron EDTA (FeFum+NaFeEDTA) in Kenyan infants. Design: Infants ( n = 50; aged 6-14 mo) consumed maize porridge that was fortified with an MNP containing FeFum+NaFeEDTA and 7.5 g galacto-oligosaccharides (GOSs) (Fe+GOS group, n = 22) or the same MNP without GOSs (Fe group, n = 28) each day for 3 wk. Then, on 2 consecutive days, we fed all infants isotopically labeled maize porridge and MNP test meals containing 5 mg Fe as 57 FeFum+Na 58 FeEDTA or ferrous sulfate ( 54 FeSO 4 ). Iron absorption was measured as the erythrocyte incorporation of stable isotopes. Iron markers, fecal pH, and bacterial groups were assessed at baseline and 3 wk. Comparisons within and between groups were done with the use of mixed-effects models. Results: There was a significant group-by-compound interaction on iron absorption ( P = 0.011). The median percentages of fractional iron absorption from FeFum+NaFeEDTA and from FeSO 4 in the Fe group were 11.6% (IQR: 6.9-19.9%) and 20.3% (IQR: 14.2-25.7%), respectively, ( P < 0.001) and, in the Fe+GOS group, were 18.8% (IQR: 8.3-37.5%) and 25.5% (IQR: 15.1-37.8%), respectively ( P = 0.124). Between groups, iron absorption was greater from the FeFum+NaFeEDTA ( P = 0.047) in the Fe+GOS group but not from the FeSO 4 ( P = 0.653). The relative iron bioavailability from FeFum+NaFeEDTA compared with FeSO 4 was higher in the Fe+GOS group than in the Fe group (88% compared with 63%; P = 0.006). There was a significant time-by-group interaction on Bifidobacterium spp. ( P = 0.008) and Lactobacillus / Pediococcus / Leuconostoc spp. ( P = 0.018); Lactobacillus / Pediococcus / Leuconostoc spp. decreased in the Fe group ( P = 0.013), and there was a nonsignificant trend toward higher
Electrically induced fluorescence Fe3+ sensing behavior of nanostructured Tiron doped polypyrrole.
Tavoli, Farnaz; Alizadeh, Naader
2016-11-23
Nanostructured polypyrrole (PPy) film doped with Tiron was electrodeposited from aqueous solution on the surface of transparent electrode and used for sensitive, selective and rapid electrically controlled fluorescence detection of Fe 3+ in aqueous media. The fluorescence intensity of PPy-Tiron film decreases linearly in the presence of Fe 3+ by applying negative potential over a concentration range from 5.0 × 10 -8 to 1.0 × 10 -6 mol L -1 , with a relatively fast response time of less than 30 s at pH 7.4. The detection is not affected by the coexistence of other competitive metal ions such as Al 3+ , Ce 3+ , Tl 3+ , La 3+ , Bi 3+ , Cr 2+ , Mn 2+ , Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , Hg 2+ , Pb 2+ , Na + , K + , Mg 2+ , Ca 2+ , Sr 2+ and Ba 2+ . The proposed electro-fluorescence sensor has a potential application to the determination of Fe 3+ in environmental and biological systems. The fluorescent thin film sensor was also used as a novel probe for Fe 3+ /Fe 2+ speciation in aqueous solution. Copyright © 2016 Elsevier B.V. All rights reserved.
Irreversibility and critical current density of FeSr2ErCu2O6+y
NASA Astrophysics Data System (ADS)
Hata, Y.; Iida, I.; Mochiku, T.; Yasuoka, H.
2018-03-01
FeSr2ErCu2O6+y (ErFe1212) and non-superconducting FeSr2ErCu1.9Zn0.1O6+y were synthesized to study the property of the superconductivity and the irreversibility of ErFe1212. A large irreversibility in the temperature dependence of magnetization and a hysteresis in the magnetization curve were observed in ErFe1212. By comparison with non-superconducting FeSr2ErCu1.9Zn0.1O6+y, it was found that the most part of the hysteresis at high magnetic eld originates from the magnetism of Fe ion and some part of the hysteresis at low magnetic eld originates from the superconductivity. Using the magnetization curve of ErFe1212 and FeSr2ErCu1.9Zn0.1O6+y, the J c of ErFe1212 in individual grains at 10 K under 0.1 T was estimated by the Bean model and {J}\\text{c}\\text{intra} was 2.6 × 109 A/m2. The critical current density across inter-grain boundaries at 10 K estimated by V ‑ I measurement was {J}\\text{c}\\text{intra} = 5.7 × 104 A/m2. A large difference between {J}\\text{c}\\text{intra} and {J}\\text{c}\\text{intra} was observed in ErFe1212. {J}\\text{c}\\text{intra} and {J}\\text{c}\\text{intra} of ErFe1212 are 2.2 and 5.2 times larger than these of YFe1212, respectively.
A Suzaku Observation of the Neutral Fe-line Emission from RCW 86
NASA Technical Reports Server (NTRS)
Ueno, Masaru; Sato, Rie; Kataoka, Jun; Bamba, Aya; Harrus, Ilana; Hiraga, Junko; Hughes, John P.; Kilbourne, Caroline A.; Koyama, Katsuji; Kokubun, Motohide;
2007-01-01
The newly operational X-ray satellite Suzaku observed the supernova remnant (SNR) RCW 86 in February 2006 to study the nature of the 6.4 keV emission line first detected with the Advanced Satellite for Cosmology and Astronomy (ASCA). The new data confirms the existence of the line, localizing it for the first time inside a low temperature emission region and not at the locus of the continuum hard X-ray emission. We also report the first detection of a 7.1 keV line that we interpret as the K(beta) emission from neutral or low-ionized iron. The Fe-K line features are consistent with a non-equilibrium plasma of Fe-rich ejecta with n(sub e) less than or approx. equal to 10(exp 9)/cu cm s and kT(sub e) > 1 keV. We found a sign that Fe K(alpha) line is intrinsically broadened 47 (35-57) eV (99% error region). Cr-K line is also marginally detected, which is supporting the ejecta origin for the Fe-K line. By showing that the hard continuum above 3 keV has different spatial distribution from the Fe-K line, we confirmed it to be synchrotron X-ray emission.
Chen, Yongzhou; Li, Nian; Zhang, Ye; Zhang, Lide
2014-05-15
Novel low-cost layered Fe-titanate catalyst for photo-Fenton degradation of organic contaminants was successfully developed by ion exchange of Fe(3+) with Na(+) layered nano Na-titanates which was prepared by alkali hydrothermal method. The as prepared materials were characterized by powder X-ray diffraction analysis (XRD), field emission scanning electron microscopy (FESEM) and energy-dispersive X-ray spectrometer (EDX). The catalytic activity of the Fe-titanate catalyst was evaluated by the decolorization of three different dyes (rhodamine 6G (R6G), methyl blue (MB), and methyl orange (MO)) under UV irradiation at room temperature. Effect of several important factors such as Fe loading in the catalyst, initial solution pH, catalyst dosage, H2O2 amount, and reaction time was systematically studied. It was found that the decolorization was very efficient for all three dyes. The efficiency reached 98% for R6G, 98.5% for MB, and 97% for MO, respectively, under optimal conditions. The oxidation process was quick, and only 15 min is needed for all three dyes. Moreover, the Fe-titanate catalyst could be used in a wider and near neutral pH range compared with classic Fenton systems which need to be operated at around pH 3.0. Kinetic analysis results showed that the oxidation kinetics was accurately represented by pseudo-first-order model. More importantly, the catalyst was very stable and could be reused for at least four cycles when operated under near neutral pH. The Fe leaching from the catalyst measured was almost negligible, which not only demonstrated the stability of the catalyst, but also avoided the formation of secondary Fe pollution. Therefore, the reported Fe-titanates are promising nanomaterials which can be used as Fenton like catalyst for the degradation of organic contaminant in wastewater. Crown Copyright © 2014. Published by Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Chen, Zhongtao; Du, Yi; Li, Zhongfu; Yang, Kai; Lv, Xingjie
2017-03-01
Well-defined Fe3O4 particles were successfully fabricated by a facile triethanolamine (TEA)-assisted method under mild hydrothermal conditions. Hydrated ferric salt was employed as the single iron precursor. TEA was used as the complexing agent and/or alkaline source. The crystalline phases of the as-obtained samples were characterized by X-ray diffraction (XRD). Furthermore, the morphology as well as the compositions of the samples were investigated by scanning electron microscopy (SEM) equipped with an energy dispersion spectroscopy (EDS). The results indicated that the products were Fe3O4 crystal phase, and the morphology and powder size of the particles were varied with adding different amount of NaOAc and keeping the content of TEA unchanged. On the basis of these results, the possible formation mechanism of Fe3O4 was discussed. It was observed that TEA and NaOAc affected the growth rate of crystal planes and nucleation. Besides, the magnetic property tested by a vibrating sample magnetometer (VSM) showed that the products exhibited a ferromagnetic behavior and possessed the excellent saturation magnetization (Ms) at room temperature.
Hematite (α-Fe2O3) - A potential Ce4+ carrier in red mud.
Bolanz, Ralph M; Kiefer, Stefan; Göttlicher, Jörg; Steininger, Ralph
2018-05-01
Cerium is the most abundant rare earth element (REE) within the waste product of alumina production (red mud), but its speciation in this complex material is still barely understood. Previous studies showed evidence for a correlation between Ce and the main constituent of red mud, iron oxides, which led us to investigate the most abundant iron oxide in red mud, hematite, as possible carrier phase for Ce. Synthetic hematite can incorporate up to 1.70±0.01wt% Ce, which leads to a systematical increase of all unit cell parameters. Investigations by extended X-ray absorption fine structure spectroscopy suggest an incorporation of Ce 4+ O 6 into the hematite structure by a novel atomic arrangement, fundamentally different from the close-range order around Fe 3+ in hematite. Samples of red mud were taken in Lauta (Saxony), Germany and analyzed by powder X-ray diffraction, inductively coupled plasma mass and optical emission spectrometry, electron microprobe analysis and X-ray absorption near-edge structure spectroscopy. Red mud samples consist of hematite (Fe 2 O 3 ) (34-58wt%), sodalite (Na 8 Al 6 Si 6 O 24 Cl 2 ) (4-30wt%), gibbsite (Al(OH) 3 ) (0-25wt%), goethite (FeOOH) (10-23wt%), böhmite (AlOOH) (0-11wt%), rutile (TiO 2 ) (4-8wt%), cancrinite (Na 6 Ca 2 Al 6 Si 6 O 24 (CO 3 ) 2 ) (0-5wt%), nordstrandite (Al(OH) 3 ) (0-5wt%) and quartz (SiO 2 ) (0-4wt%). While the main elemental composition is Fe>Al>Na>Ti>Ca (Si not included), the average concentration of REE is 1109±6mg/kg with an average Ce concentration of 464±3mg/kg. The main carrier of Ce was located in the Fe-rich fine-grained fraction of red mud (0.10wt% Ce 2 O 3 ), while other potential Ce carriers like monazite, lead oxides, secondary Ce-minerals and particles of potentially anthropogenic origin are of subordinated relevance. Cerium in red mud occurs predominantly as Ce 4+ , which further excludes Ce 3+ minerals as relevant sources. Copyright © 2017. Published by Elsevier B.V.
Controllable exchange bias in Fe/metamagnetic FeRh bilayers
DOE Office of Scientific and Technical Information (OSTI.GOV)
Suzuki, Ippei; Hamasaki, Yosuke; Itoh, Mitsuru
2014-10-27
We report the studies of tuning the exchange bias at ferromagnetic Fe/metamagnetic FeRh bilayer interfaces. Fe/FeRh(111) bilayers show exchange bias in the antiferromagnetic state of FeRh while no exchange bias occurs at Fe/FeRh(001) interface. The contrasting results are attributed to the spin configurations of FeRh at the interface, i.e., the uncompensated ferromagnetic spin configuration of FeRh appears exclusively for (111) orientation. The exchange bias disappears as the bilayers are warmed above the antiferromagnetic-ferromagnetic transition temperature. The direction of the exchange bias for Fe/FeRh(111) is also found to be perpendicular to the cooling-field direction, in contrast to the commonly observed directionmore » of exchange bias for ferromagnetic/antiferromagnetic interfaces. In view of these results, the exchange bias in Fe/FeRh bilayers with the (111) crystallographic orientation should be useful for the design of rapid writing technology for magnetic information devices.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Guo, Jinxue; Zhou, Xiaoyu; Lu, Yibin
2012-12-15
Monodisperse FeWO{sub 4} nanoparticles with specific spindle-like morphology have been synthesized in the presence of citric acid through hydrothermal process. In the synthesis route, citric acid played four roles such as the reducing agent, chelating regents, structure-directing agent and stabilizing agents. In addition, the morphology of FeWO{sub 4} was dramatically tuned by the pH value of the precursor medium. The optical properties of FeWO{sub 4} were investigated with UV-Vis spectra and photoluminescence spectroscopy. The photocatalytic experiments demonstrated that the decomposition efficiency of the monodisperse spindle-like FeWO{sub 4} nanoparticles is 74% after 30 min of UV irradiation, which displayed remarkable enhancedmore » photodegradation activity compared with ordinary FeWO{sub 4} sample (57%) and normal TiO{sub 2} photocatalysts P-25 (56%). - Monodisperse spindle-like FeWO{sub 4} nanoparticles with enhanced photocatalytic activities. Highlights: Black-Right-Pointing-Pointer Monodisperse spindle-like FeWO{sub 4} were synthesized with hydrothermal method. Black-Right-Pointing-Pointer Citric acid plays key roles in the hydrothermal synthesis. Black-Right-Pointing-Pointer Their morphology can be tuned with pH value of the precursor medium. Black-Right-Pointing-Pointer They show enhanced photocatalytic activities with irradiation of UV light.« less
Effectiveness of FeEDDHA, FeEDDHMA, and FeHBED in Preventing Iron-Deficiency Chlorosis in Soybean.
Bin, Levi M; Weng, Liping; Bugter, Marcel H J
2016-11-09
The performance of FeHBED in preventing Fe deficiency chlorosis in soybean (Glycine max (L.) Merr.) in comparison to FeEDDHA and FeEDDHMA was studied, as well as the importance of the ortho-ortho and ortho-para/rest isomers in defining the performance. To this end, chlorophyll production (SPAD), plant dry matter yield, and the mass fractions of important mineral elements in the plant were quantified in a greenhouse pot experiment. All three Fe chelates increased SPAD index and dry matter yield compared to the control. The effect of FeHBED on chlorophyll production was visible over a longer time span than that of FeEDDHA and FeEDDHMA. Additionally, FeHBED did not suppress Mn uptake as much as the other Fe chelates. Compared to the other Fe chelates, total Fe content in the young leaves was lower in the FeHBED treatment; however, total Fe content was not directly related to chlorophyll production and biomass yield. For each chelate, the ortho-ortho isomer was found to be more effective than the other isomers evaluated.
Accelerated Hematopoietic Toxicity by High Energy 56Fe Radiation
Datta, Kamal; Suman, Shubhankar; Trani, Daniela; Doiron, Kathryn; Rotolo, Jimmy A.; Kallakury, Bhaskar V. S.; Kolesnick, Richard; Cole, Michael F.; Fornace, Albert J.
2013-01-01
Purpose There is little information on the relative toxicity of highly charged (Z) high-energy (HZE) radiation in animal models compared to γ or x-rays, and the general assumption based on in vitro studies has been that acute toxicity is substantially greater. Methods C57BL/6J mice were irradiated with 56Fe ions (1 GeV/nucleon), and acute (within 30 d) toxicity compared to that of γ rays or protons (1 GeV). To assess relative hematopoietic and gastrointestinal toxicity, the effects of 56Fe ions were compared to γ rays using complete blood count (CBC), bone marrow granulocyte-macrophage colony forming unit (GM-CFU), terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) assay for apoptosis in bone marrow, and intestinal crypt survival. Results Although onset was more rapid, 56Fe ions were only slightly more toxic than γ rays or protons with lethal dose (LD)50/30 (a radiation dose at which 50% lethality occurs at 30-day) values of 5.8, 7.25, and 6.8 Gy respectively with relative biologic effectiveness for 56Fe ions of 1.25 and 1.06 for protons. Conclusions 56Fe radiation caused accelerated and more severe hematopoietic toxicity. Early mortality correlated with more profound leukopenia and subsequent sepsis. Results indicate that there is selective enhanced toxicity to bone marrow progenitor cells, which are typically resistant to γ rays, and bone marrow stem cells, because intestinal crypt cells did not show increased HZE toxicity. PMID:22077279
Hong, G; Cornish, A J; Hegg, E L; Pachter, R
2011-05-01
Proton transfer to the [Fe-Fe](H) sub-cluster in the Desulfovibrio desulfuricans (DdH) and Clostridium pasteurianum (CpI) [Fe-Fe] hydrogenases was investigated by a combination of first principles and empirical molecular dynamics simulations. Pathways that can be inferred from the X-ray crystal structures of DdH and CpI, i.e., (Glu159→Ser198→Glu156→water460→Cys178→DTMA([Fe-Fe](H)) and (Glu282→Ser319→Glu279→water612→Cys299), respectively, were considered. Proton transfer from Cys178 to DTMA in the [Fe-Fe](H) sub-cluster in DdH was readily observed in our results, specifically when [Fe-Fe](H) was in the reduced state ([Fe(I)-Fe(I)]) or in the mixed valence state for the protonated distal iron Fe(d) ([Fe(I)-Fe(II)-H(-)](H)). A concerted mechanism is proposed, where proton transfer in DdH from Glu159 to Glu156 via Ser198 and Glu156 to Cys178 via water460 readily occurred, as well as from Glu282 to Glu279 via Ser319 and Glu279 to Cys299 via water612 in CpI. The theoretical prediction of the proton transfer characteristics is consistent with the assumed biocatalytic mechanism of the [Fe-Fe] hydrogenases in which the proton binds at Fe(d), providing confirmation that has not been explored so far. The computational results were qualitatively validated by the agreement with experimental hydrogen production activity data for mutated CpI enzymes, relative to the wild-type protein. Finally, the insight provided by the simulations, combined, in part, with experimental validation, are important for establishing an approach in future exploration of proton transfer to the active site in this class of enzymes, and possibly also for biomimetic analogs. Published by Elsevier B.V.
NASA Astrophysics Data System (ADS)
Mdlalose, W. B.; Mokhosi, S. R.; Dlamini, S.; Moyo, T.; Singh, M.
2018-05-01
We report the influence of polymer coatings on structural and magnetic properties of MnFe2O4 and Mn0.5Co0.5Fe2O4 nanoferrites synthesized by glycol thermal technique and then coated with chitosan viz. CHI-MnFe2O4 and CHI-Mn0.5Co0.5Fe2O4. The compounds were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), high-resolution scanning electron microscopy (HRSEM), Mössbauer spectroscopy and magnetization measurements. The powder XRD patterns of naked nanoferrites confirmed single-phase spinel cubic structure with an average crystallite size of 13 nm, while the coated samples exhibited an average particle size of 15 nm. We observed a reduction in lattice parameters with coating. HRTEM results correlated well with XRD results. 57Fe Mössbauer spectra showed ordered magnetic spin states in both nanoferrites. This study shows that coatings have significant effects on the structural and magnetic properties of Mn-nanoferrites. Magnetization studies performed at room temperature in fields up to 14 kOe revealed the superparamagnetic nature of both naked and coated nanoparticles with spontaneous magnetizations at room temperature of 49.2 emu/g for MnFe2O4, 23.6 emu/g for coated CHI-MnFe2O4 nanoparticles, 63.2 emu/g for Mn0.5Co0.5Fe2O4 and 33.2 emu/g for coated CHI-Mn0.5Co0.5Fe2O4 nanoparticles. We observed reduction in coercive fields due to coating. Overall, chitosan-coated manganese and manganese-cobalt nanoferrites present as suitable candidates for biomedical applications owing to physicochemical, and magnetic properties exhibited.
Phenanthroline-based metal–organic frameworks for Fe-catalyzed C sp3 –H amination
DOE Office of Scientific and Technical Information (OSTI.GOV)
Thacker, Nathan C.; Ji, Pengfei; Lin, Zekai
2017-01-01
We report here the synthesis of a robust and highly porous Fe-phenanthroline-based metal–organic framework (MOF) and its application in catalyzing challenging inter- and intramolecular C–H amination reactions. For the intermolecular amination reactions, a FeBr 2-metalated MOF selectively functionalized secondary benzylic and allylic C–H bonds. The intramolecular amination reactions utilizing organic azides as the nitrene source required the reduction of the FeBr 2-metalated MOF with NaBHEt 3to generate the active catalyst. For both reactions, Fe or Zr leaching was less than 0.1%, and MOFs could be recycled and reused with no loss in catalytic activity. Furthermore, MOF catalysts were significantly moremore » active than the corresponding homogeneous analogs. This work demonstrates the great potential of MOFs in generating highly active, recyclable, and reusable earth abundant metal catalysts for challenging organic transformations.« less
Structure and magnetism in Co/X, Fe/Si, and Fe/(FeSi) multilayers
NASA Astrophysics Data System (ADS)
Franklin, Michael Ray
Previous studies have shown that magnetic behavior in multilayers formed by repeating a bilayer unit comprised of a ferromagnetic layer and a non-magnetic spacer layer can be affected by small structural differences. For example, a macroscopic property such as giant magnetoresistance (GMR) is believed to depend significantly upon interfacial roughness. In this study, several complimentary structural probes were used to carefully characterize the structure of several sputtered multilayer systems-Co/Ag, Co/Cu, Co/Mo, Fe/Si, and Fe//[FeSi/]. X-ray diffraction (XRD) studies were used to examine the long-range structural order of the multilayers perpendicular to the plane of the layers. Transmission electron diffraction (TED) studies were used to probe the long-range order parallel to the layer plane. X-ray Absorption Fine Structure (XAFS) studies were used to determine the average local structural environment of the ferromagnetic atoms. For the Co/X systems, a simple correlation between crystal structure and saturation magnetization is discovered for the Co/Mo system. For the Fe/X systems, direct evidence of an Fe-silicide is found for the /[FeSi/] spacer layer but not for the Si spacer layer. Additionally, differences were observed in the magnetic behavior between the Fe in the nominally pure Fe layer and the Fe contained in the /[FeSi/] spacer layers.
Magnetic glass-film based on single-nanosize 𝜺 -Fe2O3 nanoparticles
NASA Astrophysics Data System (ADS)
Yoshikiyo, Marie; Namai, Asuka; Nakagawa, Kosuke; Ohkoshi, Shin-ichi
2017-05-01
We report a magnetic thin film of single-nanosize ɛ-Fe2O3 in SiO2 matrix. The glass-film was prepared by sintering a silica coated iron oxide hydroxide on a quartz substrate in air. The glass-film consists of ɛ-Fe2O3 of 8.8 nm size, and its thickness was 570 nm (0.57 μm) with a roughness of 10 nm (0.01 μm). UV-vis spectrum showed that the glass-film has small absorbance of 0.043 at 500 nm. The magneto-optical effect was investigated, and Faraday ellipticity showed a magnetic hysteresis loop with a coercive field of 3.0 ± 0.2 kOe. Furthermore, single-nanosize ɛ-Fe2O3 without silica was prepared as a reference sample, and ferroelectricity was observed. Therefore, the present thin glass-film consists of single-nanosize ferroelectric-ferromagnetic nanoparticles.
Tunnel Magneto Resistance of Fe/Insulator/Fe
NASA Astrophysics Data System (ADS)
Aryee, Dennis; Seifu, Dereje
Tri-layer thin films of Fe/Insulator/Fe were synthesized using magnetron DC/ RF sputtering with MgO insulator and Bi2Te3 topological insulators as middle buffer layer. The multi-layered samples thus produced were studied using in-house built magneto-optic Kerr effect (MOKE) instrument, vibrating sample magnetometer (VSM), torque magnetometer (TMM), AFM, MFM, and magneto-resistance (MR). This system, that is Fe/Insulator/Fe on MgO(100) substrate, is a well-known tunnel magneto resistance (TMR) structure often used in magnetic tunnel junction (MTJ) devices. TMR effect is a method by which MTJs are used in developing magneto-resistive random access memory (MRAM), magnetic sensors, and novel logic devices. The main purpose behind this research is to measure the magnetic anisotropy of Fe/Insulator /Fe structure and correlate it to magneto-resistance. In this presentation, we will present results from MOKE, VSM, TMM, AFM, MFM, and MR studies of Fe/Insulator/Fe on MgO(100). We would like to acknowledge support by NSF-MRI-DMR-1337339.
Cr(VI) removal by FeS-coated alumina, silica, and natural sand
NASA Astrophysics Data System (ADS)
Park, M.; Lee, S.; Jeong, H. Y.
2014-12-01
Removal of Cr(VI) was investigated using mackinawite (FeS)-coated mineral sorbents under anoxic conditions. The sorbents included alumina (Al), silica (WS), and natural sand (NS). By analysis of both solution and solid phases, all FeS-coated sorbents were found to reduce Cr(VI) into Cr(III). The sorption extent and mechanism of Cr(VI) strongly depended on the pH conditions. Only at pH 4.5, significant amounts of the dissolved Cr remained in the solution. Titration of dissolved Cr(III) and Fe(III) by NaOH solutions indicated that no bulk-phase precipitation occurred at pH 4.5. Also, the removal of Cr(VI) at pH 4.5 was the greatest by FeS-coated NS. Consistent with these, Cr-K edge EXAFS revealed that Cr was removed by FeS-coated NS via surface precipitation, and that it was immobilized by FeS-coated WS and Al by forming surface clusters. Regardless of FeS-coated sorbents, at pH 7.0 and pH 9.5, the initially added Cr(VI) was quantitatively removed from the solution phase. By EXAFS analysis, the Cr sorption by FeS-coated Al was mainly due to the bulk-phase precipitation of Cr(OH)3(s) or [Cr, Fe](OH)3(s). In case of FeS-coated WS and NS, the short Cr-Cr distance (~2.6 Å) at pH 7.0 and pH 9.5 was not simply accounted for by the bulk precipitation as either hydroxide (rCr-Cr ~ 3.0 Å), and it would rather result from the surface precipitation. Such a difference in the coordination structure among FeS-coated sorbents was likely due to in the lower surface area of the former available for the surface precipitation.
The Near-Infrared Na I Doublet Feature in M Stars
NASA Astrophysics Data System (ADS)
Schiavon, R. P.; Barbuy, B.; Rossi, S. C. F.; Milone; A.
1997-04-01
The Na I near-infrared feature has been used to indicate the dwarf/giant population in composite systems, but its interpretation is still an issue of contention. In order to try to understand the behavior of this controversial feature, we study the spectra of cool stars by means of both observed and synthetic spectra. We conclude that the Na I infrared feature can be used as a dwarf/giant indicator. We propose a modified definition of the Na I index by defining a red continuum at 8234 Å and by measuring the equivalent width in the range 8172-8197 Å, avoiding the region at λ > 8197 Å, which contains V I, Zr I, Fe I, and TiO lines. Observations collected at the European Southern Observatory, La Silla, Chile.
NASA Astrophysics Data System (ADS)
Alzahrani, Salma Ahmed; Malik, Maqsood Ahmad; Al-Thabaiti, Shaeel Ahmed; Khan, Zaheer
2018-03-01
This work demonstrates a competitive reduction method of synthesis of nanomaterials. In this method along cetyltrimethylammonium bromide (CTAB), the reduction of Ag+ and Fe3+ ions is achieved by ascorbic acid-to-bimetallic Ag@Fe yellow-colored nanomaterials. The shape of UV-visible spectra and wavelengths absorbed of Ag@Fe can be tuned from ca. 290-600 nm by controlling [CTAB] and [Ag+]. The apparent first-order rate constants were calculated within the approximation of 6.1 × 10-3 s-1. The as-prepared Ag@Fe NPs have been found to be very important catalyst in terms of depredate methyl orange in vicinity of sodium borohydride (NaBH4), which exhibits excellent efficiency and re-usability in the prototypical reaction. The cmc of cationic surfactant CTAB has been determined by conductivity method under different experimental conditions. In the presence of CTAB, Ag+ and Fe3+ ions reduce to Ag@Fe core/shell nanoparticles, comprehend a change in wavelength and intensity of SRP band. The apparent first-order rate constant, activation energy, and turnover frequency for the methyl orange reduction catalyzed by Ag@Fe NPs were found to be 1.6 × 10-3 s-1, 58.2 kJ mol-1, and 1.1 × 10-3 s-1, respectively.
Observation of super high energy big family with large scale Fe emulsion chambers
NASA Technical Reports Server (NTRS)
1985-01-01
In order to get higher efficiencies for detecting hadrons and to make technical improvements in the chamber structure, the Mt. Kambala Emulsion Chamber Collaboration constructed 57 sq. m. of Fe chamber, with thickness 29 c.u.(1c.u.=17.6 mm Fe), using 300 tons of Fe plates and made the first exposure from Sept., 1982 to May, 1984. The photosensitive layers consist of X-ray films of Sakura N type, Fuji No. 100 type and Tianjin III type, some of them contain also emulsion plates of Fuji ET7B type. They are inserted between the Fe plates at 2 c.u., beginning at 5 c.u. from the chamber top. In a number of blocks, 3 mm spacings are provided at every 2 c.u. of Fe plates to facilitate the replacement of photosensitive layers, without disassembling the chamber. On the bottom of the chamber Fe plates of thickness 9 mm are placed in order to shield the chamber from the radioactivities of the ground. An event, numbered K2 58 of visible energy sigma E sub gamma = 7345 TeV was found in this exposure. No obvious halo is seen in the event and all the showers are clearly separated and easy to measure. A brief report of the preliminary results is presented.
Coulomb excitation of radioactive 20, 21Na
NASA Astrophysics Data System (ADS)
Schumaker, M. A.; Cline, D.; Hackman, G.; Pearson, C.; Svensson, C. E.; Wu, C. Y.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Boston, H. C.; Buchmann, L.; Churchman, R.; Cifarelli, F.; Cooper, R. J.; Cross, D. S.; Dashdorj, D.; Demand, G. A.; Dimmock, M. R.; Drake, T. E.; Finlay, P.; Gallant, A. T.; Garrett, P. E.; Green, K. L.; Grint, A. N.; Grinyer, G. F.; Harkness, L. J.; Hayes, A. B.; Kanungo, R.; Lisetskiy, A. F.; Leach, K. G.; Lee, G.; Maharaj, R.; Martin, J.-P.; Moisan, F.; Morton, A. C.; Mythili, S.; Nelson, L.; Newman, O.; Nolan, P. J.; Orce, J. N.; Padilla-Rodal, E.; Phillips, A. A.; Porter-Peden, M.; Ressler, J. J.; Roy, R.; Ruiz, C.; Sarazin, F.; Scraggs, D. P.; Waddington, J. C.; Wan, J. M.; Whitbeck, A.; Williams, S. J.; Wong, J.
2009-12-01
The low-energy structures of the radioactive nuclei 20, 21Na have been examined using Coulomb excitation at the TRIUMF-ISAC radioactive ion beam facility. Beams of ˜ 5×106 ions/s were accelerated to 1.7MeV/A and Coulomb excited in a 0.5mg/cm^2 natTi target. Two TIGRESS HPGe clover detectors perpendicular to the beam axis were used for γ -ray detection, while scattered nuclei were observed by the Si detector BAMBINO. For 21Na , Coulomb excitation from the 3/2+ ground state to the first excited 5/2+ state was observed, while for 20Na , Coulomb excitation was observed from the 2+ ground state to the first excited 3+ and 4+ states. For both beams, B ( λ L) values were determined using the 2+ rightarrow 0+ de-excitation in 48Ti as a reference. The resulting B( E2) ↓ value for 21Na is 137±9 e^2fm^4, while the resulting B( λ L) ↓ values for 20Na are 55±6 e^2fm^4 for the 3+ rightarrow 2+ , 35.7±5.7 e^2 fm^4 for the 4+ rightarrow 2+ , and 0.154±0.030 μ_ N^2 for the 4+ rightarrow 3+ transitions. This analysis significantly improves the measurement of the 21Na B( E2) value, and provides the first experimental determination of B( λ L) values for the proton dripline nucleus 20Na .-1
NASA Astrophysics Data System (ADS)
André, Laurent; Christov, Christomir; Lassin, Arnault; Azaroual, Mohamed
2018-03-01
The knowledge of the thermodynamic behavior of multicomponent aqueous electrolyte systems is of main interest in geo-, and environmental-sciences. The main objective of this study is the development of a high accuracy thermodynamic model for solution behavior, and highly soluble M(III)Cl3(s) (M= Al, Fe, Cr) minerals solubility in Na-Al(III)-Cr(III)-Fe(III)-Cl-H2O system at 25°C. Comprehensive thermodynamic models that accurately predict aluminium, chromium and iron aqueous chemistry and M(III) mineral solubilities as a function of pH, solution composition and concentration are critical for understanding many important geochemical and environmental processes involving these metals (e.g., mineral dissolution/alteration, rock formation, changes in rock permeability and fluid flow, soil formation, mass transport, toxic M(III) remediation). Such a model would also have many industrial applications (e.g., aluminium, chromium and iron production, and their corrosion, solve scaling problems in geothermal energy and oil production). Comparisons of solubility and activity calculations with the experimental data in binary and ternary systems indicate that model predictions are within the uncertainty of the data. Limitations of the model due to data insufficiencies are discussed. The solubility modeling approach, implemented to the Pitzer specific interaction equations is employed. The resulting parameterization was developed for the geochemical Pitzer formalism based PHREEQC database.
High purity Fe3O4 from Local Iron Sand Extraction
NASA Astrophysics Data System (ADS)
Gunanto, Y. E.; Izaak, M. P.; Jobiliong, E.; Cahyadi, L.; Adi, W. A.
2018-04-01
Indonesia has a long coastline and is rich with iron sand. The iron sand is generally rich in various elements such as iron and titanium. One of the products processing of the iron sand mineral is iron (II) (III) oxide (magnetite Fe3O4). The stages of purification process to extracting magnetite phase and discarding the other phases has been performed. Magnetite phase analysis of ironsand extraction retrieved from Indonesia have been investigated. The result of analysis element of iron sand shows that it consists of majority Fe around 65 wt%. However, there are still 17 impurities such as Ti, Al, Ce, Co, Cr, Eu, La, Mg, Mn, Na, Sc, Sm, Th, V, Yb, and Zn. After extraction process, Fe element content increases up to 94%. The iron sand powder after milling for 10 hours and separating using a magnetic separator, the iron sand powders are dissolved in acid chloride solution to form a solution of iron chloride, and this solution is sprinkled with sodium hydroxide to obtain fine powders of Fe3O4. The fine powders which formed were washed with de-mineralization water. The X-ray diffraction pattern shows that the fine powders have a single phase of Fe3O4. The analysis result shows that the sample has the chemical formula: Fe3O4 with a cubic crystal system, space group: Fd-3m and lattice parameters: a = b = c = 8.3681 (1) Å, α = β = γ = 90°. The microstructure analysis shows that the particle of Fe3O4 homogeneously shaped like spherical. The magnetic properties using vibrating sample magnetometer shows that Fe3O4 obtained have ferromagnetic behavior with soft magnetic characteristics. We concluded that this purification of iron sand had been successfully performed to obtain fine powders of Fe3O4 with high purity.
NASA Astrophysics Data System (ADS)
Kurtan, U.; Amir, Md.; Yıldız, A.; Baykal, A.
2016-07-01
In this study, magnetically recycable MnFe2O4@SiO2@Ag nanocatalyst (MnFe2O4@SiO2@Ag MRCs) has been synthesized through co-precipition and chemical reduction method. XRD analysis confirmed the synthesis of single phase nanoproduct with crystallite size of 10 nm. VSM measurements showed the superparamagnetic property of the product. Catalytic studies showed that MnFe2O4@SiO2@Ag MRC could catalyze the reduction of the various azo compounds like methyl orange (MO), methylene blue (MB), eosin Y (EY), and rhodamine B (RhB) and also aromatic nitro compounds such as 4-nitrophenol (4-NP), 4-nitroaniline (4-NA) and 2-nitroaniline (2-NA). Moreover, the magnetic nanocatalyst showed an excellent reusability properties that remained unchanged after several cycles. Therefore, MnFe2O4@SiO2@Ag is the potential candidate for the application of organic pollutants for wastewater treatment.
Zhang, Tian-Wen; Shen, Bao; Yao, Hong-Bin; Ma, Tao; Lu, Lei-Lei; Zhou, Fei; Yu, Shu-Hong
2017-08-09
Separators, necessary components to isolate cathodes and anodes in Li/Na-ion batteries, are consumed in large amounts per year; thus, their sustainability is a concerning issue for renewable energy storage systems. However, the eco-efficient and environmentally friendly fabrication of separators with a high mechanical strength, excellent thermal stability, and good electrolyte wettability is still challenging. Herein, we reported the fabrication of a new type of separators for Li/Na-ion batteries through the self-assembly of eco-friendly chitin nanofibers derived from prawn shells. We demonstrated that the pore size in the chitin nanofiber membrane (CNM) separator can be tuned by adjusting the amount of pore generation agent (sodium dihydrogen citrate) in the self-assembly process of chitin nanofibers. By optimizing the pore size in CNM separators, the electrochemical performance of the LiFePO 4 /Li half-cell with a CNM separator is comparable to that with a commercialized polypropylene (PP) separator. More attractively, the CNM separator showed a much better performance in the LiFePO 4 /Li cell at 120 °C and Na 3 V 2 (PO 4 ) 3 /Na cell than the PP separator. The proposed fabrication of separators by using natural raw materials will play a significant contribution to the sustainable development of renewable energy storage systems.
Templated assembly of BiFeO3 nanocrystals into 3D mesoporous networks for catalytic applications
NASA Astrophysics Data System (ADS)
Papadas, I. T.; Subrahmanyam, K. S.; Kanatzidis, M. G.; Armatas, G. S.
2015-03-01
The self-assembly of uniform nanocrystals into large porous architectures is currently of immense interest for nanochemistry and nanotechnology. These materials combine the respective advantages of discrete nanoparticles and mesoporous structures. In this article, we demonstrate a facile nanoparticle templating process to synthesize a three-dimensional mesoporous BiFeO3 material. This approach involves the polymer-assisted aggregating assembly of 3-aminopropanoic acid-stabilized bismuth ferrite (BiFeO3) nanocrystals followed by thermal decomposition of the surfactant. The resulting material consists of a network of tightly connected BiFeO3 nanoparticles (~6-7 nm in diameter) and has a moderately high surface area (62 m2 g-1) and uniform pores (ca. 6.3 nm). As a result of the unique mesostructure, the porous assemblies of BiFeO3 nanoparticles show an excellent catalytic activity and chemical stability for the reduction of p-nitrophenol to p-aminophenol with NaBH4.The self-assembly of uniform nanocrystals into large porous architectures is currently of immense interest for nanochemistry and nanotechnology. These materials combine the respective advantages of discrete nanoparticles and mesoporous structures. In this article, we demonstrate a facile nanoparticle templating process to synthesize a three-dimensional mesoporous BiFeO3 material. This approach involves the polymer-assisted aggregating assembly of 3-aminopropanoic acid-stabilized bismuth ferrite (BiFeO3) nanocrystals followed by thermal decomposition of the surfactant. The resulting material consists of a network of tightly connected BiFeO3 nanoparticles (~6-7 nm in diameter) and has a moderately high surface area (62 m2 g-1) and uniform pores (ca. 6.3 nm). As a result of the unique mesostructure, the porous assemblies of BiFeO3 nanoparticles show an excellent catalytic activity and chemical stability for the reduction of p-nitrophenol to p-aminophenol with NaBH4. Electronic supplementary information (ESI
Adsorption of hydrogen gas and redox processes in clays.
Didier, Mathilde; Leone, Laura; Greneche, Jean-Marc; Giffaut, Eric; Charlet, Laurent
2012-03-20
In order to assess the adsorption properties of hydrogen gas and reactivity of adsorbed hydrogen, we measured H(2)(g) adsorption on Na synthetic montmorillonite-type clays and Callovo-Oxfordian (COx) clayrock using gas chromatography. Synthetic montmorillonites with increasing structural Fe(III) substitution (0 wt %, 3.2 wt %, and 6.4 wt % Fe) were used. Fe in the synthetic montmorillonites is principally present as structural Fe(III) ions. We studied the concomitant reduction of structural Fe(III) in the clays using (57)Fe Mössbauer spectrometry. The COx, which mainly contains smectite/illite and calcite minerals, is also studied together with the pure clay fraction of this clayrock. Experiments were performed with dry clay samples which were reacted with hydrogen gas at 90 and 120 °C for 30 to 45 days at a hydrogen partial pressure close to 0.45 bar. Results indicate that up to 0.11 wt % of hydrogen is adsorbed on the clays at 90 °C under 0.45 bar of relative pressure. (57)Fe Mössbauer spectrometry shows that up to 6% of the total structural Fe(III) initially present in these synthetic clays is reduced upon adsorption of hydrogen gas. No reduction is observed with the COx sample in the present experimental conditions.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Parker, David S.
2017-06-13
We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although amore » large T c value is unlikely.« less
Code of Federal Regulations, 2010 CFR
2010-01-01
... 10 Energy 2 2010-01-01 2010-01-01 false [Reserved] 71.57 Section 71.57 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PACKAGING AND TRANSPORTATION OF RADIOACTIVE MATERIAL Package Approval Standards § 71.57 [Reserved] ...
NASA Astrophysics Data System (ADS)
Salunke-Gawali, Sunita; Ahmed, Khursheed; Varret, François; Linares, Jorge; Zaware, Santosh; Date, Sadgopal; Rane, Sandhya
2008-07-01
Purple acid phosphatase, ( PAP), is known to contain dinuclear Fe2 + 2, + 3 site with characteristic Fe + 3 ← Tyr ligand to metal charge transfer in coordination. Phthiocoloxime (3-methyl-2-hydroxy-1,4-naphthoquinone-1-oxime) ligand L, mimics (His/Tyr) ligation with controlled and unique charge transfers resulting in valence tautomeric coordination with mixed valent diiron site in model compound Fe-1: [μ-OH-Fe2 + 2, + 3 ( o-NQCH3ox) ( o-NSQCH3ox)2 (CAT) H2O]. Fe-2: [Fe + 3( o-NQCH3ox) ( p-NQCH3ox)2]2 a molecularly associated dimer of phthiocoloxime synthesized for comparison of charge transfer. 57Fe Mössbauer studies was used to quantitize unusual valences due to ligand in dimeric Fe-1 and Fe-2 complexes which are supported by EPR and SQUID studies. 57Fe Mössbauer spectra for Fe-1 at 300 K indicates the presence of two quadrupole split asymmetric doublets due to the differences in local coordination geometries of [Fe + 3]A and [Fe + 2]B sites. The hyperfine interaction parameters are δ A = 0.152, (Δ E Q)A = 0.598 mm/s with overlapping doublet at δ B = 0.410 and (Δ E Q)B = 0.468 mm/s. Due to molecular association tendency of ligand, dimer Fe-2 possesses 100% Fe + 3(h.s.) hexacoordinated configuration with isomer shift δ = 0.408 mm/s. Slightly distorted octahedral symmetry created by NQCH3ox ligand surrounding Fe + 3(h.s.) state generates small field gradient indicated by quadrupole split Δ E Q = 0.213 mm/s. Decrease of isomer shifts together with variation of quadrupole splits with temperature in Fe-1 dimer compared to Fe-2 is result of charge transfers in [Fe2 + 2, + 3 SQ] complexes. EPR spectrum of Fe-1 shows two strong signals at g 1 = 4.17 and g 2 = 2.01 indicative of S = 3/2 spin state with an intermediate spin of Fe + 3(h.s.) configuration. SQUID data of χ _m^{corr} .T were best fitted by using HDVV spin pair model S = 2, 3/2 resulting in antiferromagnetic exchange ( J = -13.5 cm - 1 with an agreement factor of R = 1.89 × 10 - 5). The lower J
Huang, Gang; Du, Xinchuan; Zhang, Feifei; Yin, Dongming; Wang, Limin
2015-09-28
Binary metal oxides have been deemed as a promising class of electrode materials for high-performance lithium ion batteries owing to their higher conductivity and electrochemical activity than corresponding monometal oxides. Here, NiFe2O4 nanoplates consisting of nanosized building blocks have been successfully fabricated by a facile, large-scale NaCl and KCl molten-salt route, and the changes in the morphology of NiFe2O4 as a function of the molten-salt amount have been systemically investigated. The results indicate that the molten-salt amount mainly influences the diameter and thickness of the NiFe2O4 nanoplates as well as the morphology of the nanosized building blocks. Cyclic voltammetry (CV) and galvanostatic charge-discharge measurements have been conducted to evaluate the lithium storage properties of the NiFe2O4 nanoplates prepared with a Ni(NO3)2/Fe(NO3)3/KCl/NaCl molar ratio of 1:2:20:60. A high reversible capacity of 888 mAh g(-1) is delivered over 100 cycles at a current density of 100 mA g(-1). Even at a current density of 5000 mA g(-1) , the discharge capacity could still reach 173 mAh g(-1). Such excellent electrochemical performances of the NiFe2O4 nanoplates are contributed to the short Li(+) diffusion distance of the nanosized building blocks and the synergetic effect of the Ni(2+) and Fe(3+) ions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Selective transport of Fe(III) using ionic imprinted polymer (IIP) membrane particle
NASA Astrophysics Data System (ADS)
Djunaidi, Muhammad Cholid; Jumina, Siswanta, Dwi; Ulbricht, Mathias
2015-12-01
The membrane particles was prepared from polyvinyl alcohol (PVA) and polymer IIP with weight ratios of 1: 2 and 1: 1 using different adsorbent templates and casting thickness. The permeability of membrane towards Fe(III) and also mecanism of transport were studied. The selectivity of the membrane for Fe(III) was studied by performing adsorption experiments also with Cr(III) separately. In this study, the preparation of Ionic Imprinted Polymer (IIP) membrane particles for selective transport of Fe (III) had been done using polyeugenol as functional polymer. Polyeugenol was then imprinted with Fe (III) and then crosslinked with PEGDE under alkaline condition to produce polyeugenol-Fe-PEGDE polymer aggregates. The agrregates was then crushed and sieved using mesh size of 80 and the powder was then used to prepare the membrane particles by mixing it with PVA (Mr 125,000) solution in 1-Methyl-2-pyrrolidone (NMP) solvent. The membrane was obtained after casting at a speed of 25 m/s and soaking in NaOH solution overnight. The membrane sheet was then cut and Fe(III) was removed by acid to produce IIP membrane particles. Analysis of the membrane and its constituent was done by XRD, SEM and size selectivity test. Experimental results showed the transport of Fe(III) was faster with the decrease of membrane thickness, while the higher concentration of template ion correlates with higher Fe(III) being transported. However, the transport of Fe(III) was slower for higher concentration of PVA in the membrane. IImparticles works through retarded permeation mechanism, where Fe(III) was bind to the active side of IIP. The active side of IIP membrane was dominated by the -OH groups. The selectivity of all IIP membranes was confirmed as they were all unable to transport Cr (III), while NIP (Non-imprinted Polymer) membrane was able transport Cr (III).
USDA-ARS?s Scientific Manuscript database
Objectives of the study were to determine effects of Fe source on plant growth, plant nutrition, substrate chemistry and runoff chemistry. Iron source (FS) treatments consisted of Fe-aminopolycarboxylic acid (APCA) complexones iron ethylenediaminetetraacetic acid (FeEDTA), iron [S, S']-ethylenediam...
NASA Astrophysics Data System (ADS)
Jang, J. J. H.; Kim, S.; Burton, H.; Knox, J.; Marrs, C.; Sisk-Scott, C.
2017-12-01
The long-term effectiveness of an underground waste repository relies on understanding the chemical reaction products between intrusive brine and the reactive media in the repository. One such component of the stored media, iron, forms mineral precipitates in brine through anoxic corrosion. Chukanovite, Fe2CO3(OH)2(s), could be one of the precipitates and not much is known regarding its formation and thermodynamic stability. Thus, we have investigated eight mixtures of FeCl2 and NaHCO3 with NaOH for the synthesis of chukanovite in an anoxic glovebox. X-ray diffraction (XRD) scans of ten-month aged samples showed the paragenesis of three ferrous iron minerals in all tested conditions; siderite (FeCO3(s)), ferrous iron hydroxide (Fe(OH)2(s)), and chukanovite. Chukanovite was present alongside the two other minerals in between the pH values of 6 and 11. Comparison of relative intensities of major XRD peak heights of three minerals illustrated that the highest phase purity of chukanovite was achieved when the solution pH was approximately 9. XRD and solubility analysis will be performed periodically to determine when the experiments in the eight conditions reach steady state. Solid samples will be further characterized using Mossbauer and Raman spectroscopy.
Iwasaki, T; Imai, T; Urushiyama, A; Oshima, T
1996-11-01
"Sulredoxin" of Sulfolobus sp. strain 7 is an archaeal soluble Rieske-type [2Fe-2S] protein and was initially characterized by several spectroscopic techniques (Iwasaki, T., Isogai, T., Iizuka, T. , and Oshima, T. (1995) J. Bacteriol. 177, 2576-2582). It appears to have tightly linked ionization affecting the redox properties of the protein, which is characteristic of the Rieske FeS proteins found as part of the respiratory chain. Sulredoxin had an Em(low pH) value of +188 +/- 9 mV, and the slope of pH dependence of the midpoint redox potential indicated two ionization equilibria in the oxidized form with pKa(ox1) of 6.23 +/- 0.22 and pKa(ox2) of 8.57 +/- 0.20. The absorption, CD, and resonance Raman spectra of oxidized sulredoxin are consistent with the proposed St2FeSb2Fe[N(His)]t2 core structure, and deprotonation of one of the two putative coordinated histidine imidazoles, having the pKa(ox2) of 8.57 +/- 0.20, causes a decrease in the midpoint redox potential, the change in the optical and CD spectra, and the appearance of a new Raman transition at 278 cm-1, without major structural rearrangement of the [2Fe-2S] cluster as well as the overall protein conformation. The redox-linked ionization of sulredoxin is also contributed by local changes involving another ionizable group having the pKa(ox1) of 6.23 +/- 0. 22, which is probably attributed to a certain positively charged amino acid residue that may not be a ligand by itself but located very close to the cluster. We suggest that sulredoxin provides a new tractable model of the membrane-bound homologue of the respiratory chain, the Rieske FeS proteins of the cytochrome bc1-b6f complexes.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Parmar, Kusum, E-mail: prmrkusum@gmail.com; Sharma, Anshu; Sharma, Hakikat
2015-05-15
Lead free (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}La{sub x}Ti{sub 0.988}Fe{sub 0.012}O{sub 3} ceramic having compositions (x=0, 0.01, 0.03, 0.05) has been prepared by sol gel method using citric acid. Structural analysis has been done by X-ray diffraction and FTIR measurements. XRD patterns have been confirmed perovskite structure for all samples. FTIR absorption band at around ∼630 cm{sup −1} is observed for all samples which confirm perovskite phase formation in samples. With increasing La concentration, shifting in XRD peaks and FTIR absorption bands is observed which suggests incorporation of La on A-site in prepared (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}La{sub x}Ti{sub 0.988}Fe{sub 0.012}O{sub 3} samples. Effectmore » of La substitution on Ferroelectric (Polarization vs. Electric field) and Magnetic (Magnetization vs. Magnetic field) properties have been studied at room temperature. All samples exhibit weak ferromagnetic order and also possess ferroelectric behavior which provides new insight to lead free single phase multiferroic materials.« less
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Phase Equilibria and Magnetic Phases in the Ce-Fe-Co-B System
Wang, Tian; Kevorkov, Dmytro; Medraj, Mamoun
2016-01-01
Ce-Fe-Co-B is a promising system for permanent magnets. A high-throughput screening method combining diffusion couples, key alloys, Scanning Electron Microscope/Wavelength Dispersive X-ray Spectroscope (SEM/WDS), and Magnetic Force Microscope (MFM) is used in this research to understand the phase equilibria and to explore promising magnetic phases in this system. Three magnetic phases were detected and their homogeneity ranges were determined at 900 °C, which were presented by the formulae: Ce2Fe14−xCoxB (0 ≤ x ≤ 4.76), CeCo4−xFexB (0 ≤ x ≤ 3.18), and Ce3Co11−x FexB4 (0 ≤ x ≤ 6.66). The phase relations among the magnetic phases in this system have been studied. Ce2(Fe, Co)14B appears to have stronger magnetization than Ce(Co, Fe)4B and Ce3(Co, Fe)11B4 from MFM analysis when comparing the magnetic interactions of selected key alloys. Also, a non-magnetic CeCo12−xFexB6 (0 ≤ x ≤ 8.74) phase was detected in this system. A boron-rich solid solution with Ce13FexCoyB45 (32 ≤ x ≤ 39, 3 ≤ y ≤ 10) chemical composition was also observed. However, the crystal structure of this phase could not be found in the literature. Moreover, ternary solid solutions ε1 (Ce2Fe17−xCox (0 ≤ x ≤ 12.35)) and ε2 (Ce2Co17−xFex (0 ≤ x ≤ 3.57)) were found to form between Ce2Fe17 and Ce2Co17 in the Ce-Fe-Co ternary system at 900 °C. PMID:28772374
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Orientation relationship of eutectoid FeAl and FeAl2.
Scherf, A; Kauffmann, A; Kauffmann-Weiss, S; Scherer, T; Li, X; Stein, F; Heilmaier, M
2016-04-01
Fe-Al alloys in the aluminium range of 55-65 at.% exhibit a lamellar microstructure of B2-ordered FeAl and triclinic FeAl 2 , which is caused by a eutectoid decomposition of the high-temperature Fe 5 Al 8 phase, the so-called ∊ phase. The orientation relationship of FeAl and FeAl 2 has previously been studied by Bastin et al. [ J. Cryst. Growth (1978 ▸), 43 , 745] and Hirata et al. [ Philos. Mag. Lett. (2008 ▸), 88 , 491]. Since both results are based on different crystallographic data regarding FeAl 2 , the data are re-evaluated with respect to a recent re-determination of the FeAl 2 phase provided by Chumak et al. [ Acta Cryst. (2010 ▸), C 66 , i87]. It is found that both orientation relationships match subsequent to a rotation operation of 180° about a 〈112〉 crystallographic axis of FeAl or by applying the inversion symmetry of the FeAl 2 crystal structure as suggested by the Chumak data set. Experimental evidence for the validity of the previously determined orientation relationships was found in as-cast fully lamellar material (random texture) as well as directionally solidified material (∼〈110〉 FeAl || solidification direction) by means of orientation imaging microscopy and global texture measurements. In addition, a preferential interface between FeAl and FeAl 2 was identified by means of trace analyses using cross sectioning with a focused ion beam. On the basis of these habit planes the orientation relationship between the two phases can be described by ([Formula: see text]01) FeAl || (114)[Formula: see text] and [111] FeAl || [1[Formula: see text]0][Formula: see text]. There is no evidence for twinning within FeAl lamellae or alternating orientations of FeAl lamellae. Based on the determined orientation and interface data, an atomistic model of the structure relationship of Fe 5 Al 8 , FeAl and FeAl 2 in the vicinity of the eutectoid decomposition is derived. This model is analysed with respect to the strain which has to be
On the entropy of glaucophane Na2Mg3Al2Si8O22(OH)2
Robie, R.A.; Hemingway, B.S.; Gillet, P.; Reynard, B.
1991-01-01
The heat capacity of glaucophane from the Sesia-Lanza region of Italy having the approximate composition (Na1.93Ca0.05Fe0.02) (Mg2.60Fe0.41) (Al1.83Fe0.15Cr0.01) (Si7.92Al0.08)O22(OH)2 was measured by adiabatic calorimetry between 4.6 and 359.4 K. After correcting the Cp0data to values for ideal glaucophane, Na2Mg3Al2Si8O22(OH)2 the third-law entropy S2980-S00was calculated to be 541.2??3.0 J??mol-1??K-1. Our value for S2980-S00is 12.0 J??mol-1??K-1 (2.2%) smaller than the value of Likhoydov et al. (1982), 553.2??3.0, is within 6.2 J??mol-1??K-1 of the value estimated by Holland (1988), and agrees remarkably well with the value calculated by Gillet et al. (1989) from spectroscopic data, 539 J??mol-1??K-1. ?? 1991 Springer-Verlag.
Synthesis of a ferrolite: A zeolitic all-iron framework
Latshaw, Allison M.; Chance, W. Michael; Morrison, Gregory; ...
2016-09-21
Here, crystals of the first sodalite-type zeolite containing an all-iron framework, a ferrolite, Ba 8(Fe 12O 24)Na y(OH)6 • xH 2O, were synthesized using the hydroflux method in nearly quantitative yield. Ba 8(Fe 12O 24)Na y(OH) 6 • xH 2O crystallizes in the cubic space group Pm3¯m with α = 10.0476(1) Å. Slightly distorted FeO 4 tetrahedra are linked to form Fe 4O 4 and Fe 6O 6 rings, which in turn yield channels and internal cavities that are characteristic of the sodalite structure. Barium, sodium, and hydroxide ions and water molecules are found in the channels and provide chargemore » balance. Magnetic measurements indicate that the ferrolite exhibits magnetic order up to at least 700 K, with the field-cooled and zero-field-cooled curves diverging. Analysis of the 57Fe Mossbauer spectra revealed two spectral components that have equal spectral areas, indicating the presence of two subsets of iron centers in the structure. Dehydrated versions of the ferrolite were also prepared by heating the sample.« less
MIL-100-Fe derived N-doped Fe/Fe3C@C electrocatalysts for efficient oxygen reduction reaction
NASA Astrophysics Data System (ADS)
Guo, Dakai; Han, Sancan; Wang, Jiacheng; Zhu, Yufang
2018-03-01
N-doped porous Fe/Fe3C@C electrocatalysts were prepared by the pyrolysis of the hexamethylenetetramine (HMT)-incorporated MIL-100-Fe at different temperatures (700-1000 °C) under N2 atmosphere. Rotary evaporation of MIL-100-Fe and HMT solution could make more N-enriched HMT molecules enter into the pores of MIL-100-Fe, thus improving nitrogen contents of the final pyrolyzed samples. All pyrolyzed samples show porous textures with middle specific surface areas. The X-ray photoelectron spectroscopy (XPS) results demonstrate the successful introduction of N atoms into carbon framework. Sample Fe-N2-800 prepared by annealing the precursors with the HMT/MIL-100-Fe weight ratio of 2 at 800 °C exhibits the best electrocatalytic activity towards the oxygen reduction reaction (ORR) in terms of onset potential and current density because of high graphitic N and pyridinic N content. The enwrapped Fe/Fe3C nanoparticles and Fe-Nx active sites in these samples could also boost the ORR activity synergistically. Moreover, sample Fe-N2-800 demonstrates a dominant four electron reduction process, as well as excellent long-term operation stability and methanol crossover resistance. Thus, the N-doped Fe/Fe3C@C composites derived from the HMT-incorporated MIL-100-Fe are promising electrocatalysts to replace Pt/C for ORR in practical applications.
Phase characteristics of 0.92Bi{sub 0.5}Na{sub 0.5}TiO{sub 3}-0.08BiAlO{sub 3} ceramics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Peng, Wei; Mao, Chaoliang; Liu, Zhen
2015-03-02
The phase characteristics of 0.92Bi{sub 0.5}Na{sub 0.5}TiO{sub 3}-0.08BiAlO{sub 3} lead-free ceramics were investigated systematically. The loss tangent of poled sample shows a broad peak when heating to about 80 °C, i.e., depolarization temperature T{sub d}. The polarization-electric field hysteresis loops at different temperature exhibit the feature of ferroelectric (FE)- antiferroelectric (AFE) phase transition and the co-existence of FE and AFE phase. The pyroelectric coefficients curve confirms its diffusion behaviors. The initial hysteresis loop and switching current curves under T{sub d} indicate the co-existence of FE and AFE phase. The domain morphology of transmission electron microscopy supports the co-existence of FE andmore » AFE phase. Our work not only exhibit that the FE and AFE phase characteristics of 0.92Bi{sub 0.5}Na{sub 0.5}TiO{sub 3}-0.08BiAlO{sub 3} ceramics but also they may be helpful for further investigation on lead-free ceramics.« less
NASA Astrophysics Data System (ADS)
Min, Xiaobo; Zhou, Bosheng; Ke, Yong; Chai, Liyuan; Xue, Ke; Zhang, Chun; Zhao, Zongwen; Shen, Chen
2016-05-01
The sulfidation roasting behavior was analyzed in detail to reveal the reaction mechanism. Information about the sulfidation reaction, including phase transformation, ionic migration behavior and morphological change, were obtained by XRD, 57Fe Mossbauer spectroscopy, XPS and SEM analysis. The results showed that the sulfidation of zinc ferrite is a process of sulfur inducing and sulfur-oxygen interface exchange. This process can be divided into six stages: decomposition of FeS2, formation of the oxygen-deficient environment, migration of O2- induced by S2(g), formation of ZnFe2O4-δ, migration of Fe2+ accompanied by the precipitation of ZnO, and the sulfur-oxygen interface exchange reaction. The sulfidation products were zinc blende, wurtzite, magnetite and a fraction of zinc-bearing magnetite. These findings can provide theoretical support for controlling the process during which the recovery of Zn and Fe is achieved through the combined flotation-magnetic separation process.
Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.
Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A
2015-08-14
The rates of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe(+) + N2O was studied either with (6)Fe(+) or with (4)Fe(+) reactants. Differences in the rate constants of (6)Fe(+) and (4)Fe(+) reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.
2011-01-01
Stable magnetic nanofluids containing Fe3O4@Polypyrrole (PPy) nanoparticles (NPs) were prepared by using a facile and novel method, in which one-pot route was used. FeCl3·6H2O was applied as the iron source, and the oxidizing agent to produce PPy. Trisodium citrate (Na3cit) was used as the reducing reagent to form Fe3O4 NPs. The as-prepared nanofluid can keep long-term stability. The Fe3O4@PPy NPs can still keep dispersing well after the nanofluid has been standing for 1 month and no sedimentation is found. The polymerization reaction of the pyrrole monomers took place with Fe3+ ions as the initiator, in which these Fe3+ ions remained in the solution adsorbed on the surface of the Fe3O4 NPs. Thus, the core-shell NPs of Fe3O4@PPy were obtained. The particle size of the as-prepared Fe3O4@PPy can be easily controlled from 7 to 30 nm by the polymerization reaction of the pyrrole monomers. The steric stabilization and weight of the NPs affect the stability of the nanofluids. The as-prepared Fe3O4@PPy NPs exhibit superparamagnetic behavior. PMID:21711771
Li, Hongmei; Song, Qiushi; Xu, Qian; Chen, Ying; Xu, Liang; Man, Tiannan
2017-11-01
An NbC-Fe composite powder was synthesized from an Nb₂O₅/Fe/C mixture by electrochemical reduction and subsequent carbonization in molten CaCl₂-NaCl. The composite has a core-shell structure, in which NbC acts as the cores distributing in the Fe matrix. A strong bonding between NbC and Fe is benefit from the core-shell structure. The sintering and electrochemical reduction processes were investigated to probe the mechanism for the reactions. The results show that NbC particles about several nanometers were embraced by the Fe shell to form a composite about 100 nm in size. This featured structure can feasibly improve the wettability and sinterability of NbC as well as the uniform distribution of the carbide in the cast steel. By adding the composite into steel in the casting process, the grain size of the casted steel was markedly deceased from 1 mm to 500 μm on average, favoring the hardening of the casted steel.
Bogodvid, Tatiana K.; Andrianov, Vyatcheslav V.; Deryabina, Irina B.; Muranova, Lyudmila N.; Silantyeva, Dinara I.; Vinarskaya, Aliya; Balaban, Pavel M.; Gainutdinov, Khalil L.
2017-01-01
Long-term changes in membrane potential after associative training were described previously in identified premotor interneurons for withdrawal of the terrestrial snail Helix. Serotonin was shown to be a major transmitter involved in triggering the long-term changes in mollusks. In the present study we compared the changes in electrophysiological characteristics of identifiable premotor interneurons for withdrawal in response to bath applications of serotonin (5-HT) or serotonin precursor 5-hydroxytryptophan (5-HTP) in preparations from naïve, neurotoxin-injected or associatively trained snails. It was found that 5-HT or 5-HTP applications caused a significant decrease of membrane potential in premotor interneurons of naïve snails, associatively trained snails and snails with impaired serotonergic system by injection of a selective neurotoxin 5,7-dihydroxytryptamine (5,7-DHT) 1 week before the experiments. Applications of 5-HT or 5-HTP did not cause significant changes in the action potential (AP) threshold potential of these neurons in naïve snails. Conversely, applications of 5-HT or 5-HTP to the premotor interneurons of previously trained or 5,7-DHT-injected snails caused a significant increase in the firing threshold potential in spite of a depolarizing shift of the resting membrane potential. Results demonstrate that responsiveness of premotor interneurons to extracellularly applied 5-HT or 5-HTP changes for days after the associative training or serotonin depletion. Similarity of the effects in trained and 5,7-DHT-injected animals may be due to massive release of serotonin elicited by 5,7-DHT injection. Our results suggest that serotonin release due to aversive conditionining or elicited by the neurotoxin administration triggers similar changes in resting membrane potential and AP threshold in response to bath applications of 5-HT or its precursor 5-HTP. PMID:29311833
Audetat, Andreas; Garbe-Schonberg, Dieter; Kronz, Andreas; Pettke, Thomas; Rusk, Brian G.; Donovan, John J.; Lowers, Heather
2015-01-01
A natural smoky quartz crystal from Shandong province, China, was characterised by laser ablation ICP-MS, electron probe microanalysis (EPMA) and solution ICP-MS to determine the concentration of twenty-four trace and ultra trace elements. Our main focus was on Ti quantification because of the increased use of this element for titanium-in-quartz (TitaniQ) thermobarometry. Pieces of a uniform growth zone of 9 mm thickness within the quartz crystal were analysed in four different LA-ICP-MS laboratories, three EPMA laboratories and one solution-ICP-MS laboratory. The results reveal reproducible concentrations of Ti (57 ± 4 μg g-1), Al (154 ± 15 μg g-1), Li (30 ± 2 μg g-1), Fe (2.2 ± 0.3 μg g-1), Mn (0.34 ± 0.04 μg g-1), Ge (1.7 ± 0.2 μg g-1) and Ga (0.020 ± 0.002 μg g-1) and detectable, but less reproducible, concentrations of Be, B, Na, Cu, Zr, Sn and Pb. Concentrations of K, Ca, Sr, Mo, Ag, Sb, Ba and Au were below the limits of detection of all three techniques. The uncertainties on the average concentration determinations by multiple techniques and laboratories for Ti, Al, Li, Fe, Mn, Ga and Ge are low; hence, this quartz can serve as a reference material or a secondary reference material for microanalytical applications involving the quantification of trace elements in quartz.
Code of Federal Regulations, 2012 CFR
2012-07-01
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2014-07-01
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2013-07-01
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