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Sample records for bh fe ru

  1. Electronic structure and magnetic properties of RuFe{sub 3}N nitride

    SciTech Connect (OSTI)

    Santos, A.V. dos; Kuhnen, C.A.

    2009-11-15

    Self-consistent band structure calculations were performed on nitride RuFe{sub 3}N in order to investigate its magnetic and ground state properties. The Linear Muffin-Tin Orbital (LMTO) method was employed and calculations were performed at several lattice parameters so as to obtain the RuFe{sub 3}N equilibrium volume. Nonmagnetic and ferromagnetic LMTO calculations have shown that the RuFe{sub 3}N stable stage is ferromagnetic with constant lattice equilibrium of 7.2502 atomic units (a.u.). At equilibrium volume the LMTO calculations have given magnetic moments of 1.25 and 1.63 mu{sub B} at Ru and Fe sites, respectively, and no magnetic moment at N sites. The analysis of states density at equilibrium volume as well as the results for charge transfer illustrates why this ruthenium nitride is ferromagnetic. The LMTO calculations anticipate that the magnetic moment, the hyperfine field (the Fermi contact) and the isomer shift show a strong dependence on the lattice spacing. - Graphical Abstract: Total energy curves, versus lattice spacing for the RuFe{sub 3}N nitride. It is observed an energy difference between ferromagnetic and paramagnetic states, which provides high critic pressure.

  2. Thermodynamics and superconductivity of Th7(Fe, Ru, Os, Co, Rh, Ir)3 system

    SciTech Connect (OSTI)

    Smith, James L; Lashley, Jason C; Volz, Heather M; Fisher, Robert A

    2008-01-01

    Expanding the temperature range of previous specific-heat measurements on the Th7(Fe, Ru, Os, Co, Rh, Ir)3 system, we measure the effect of transition-metal substitution on total entropy (S{sub 298 k}), electronic specific heat ({gamma}), and Debye temperature ({Theta}D). In addition we measure the pressure dependence, up to 10 kbar, of the superconducting transition.

  3. Tuning the magnetic and structural phase transitions of PrFeAsO via Fe/Ru spin dilution

    SciTech Connect (OSTI)

    Yiu, Yuen; Bonfa, Pietro; Sanna, Samuele; De Renzi, Roberto; Caretta, Pietro; McGuire, Michael A; Huq, Ashfia; Nagler, Stephen E

    2014-01-01

    Neutron diffraction and muon spin relaxation measurements are used to obtain a detailed phase diagram of PrFe1{xRuxAsO. The isoelectronic substitution of Ru for Fe acts eectively as spin dilution, suppressing both the structural and magnetic phase transitions. The temperature, TS, of the tetragonal-orthorhombic structural phase transition decreases gradually as a function of x. Slightly below TS coherent precessions of the muon spin are observed corresponding to static magnetism, possibly re ecting a signicant magneto-elastic coupling in the FeAs layers. Short range order in both the Fe and Pr moments persists for higher levels of x. The static magnetic moments disappear at a concentration coincident with that expected for percolation of the J1 - J2 square lattice model.

  4. Ru/FeCoB double layered film with high in-plane magnetic anisotropy field of 500 Oe

    SciTech Connect (OSTI)

    Hirata, Ken-ichiro; Hashimoto, Atsuto; Matsuu, Toshimitsu; Nakagawa, Shigeki

    2009-04-01

    FeCoB layers prepared on Ru underlayer possess a high saturation magnetization M{sub s} and a high in-plane magnetic anisotropy filed H{sub k}. Effects of preparation conditions were investigated. Low Ar gas pressure condition and thicker film thickness were effective to attain distortion of FeCo crystallite. As the crystallinity of Ru underlayer became higher, higher H{sub k} was induced. The accumulation of anisotropic stress in the film caused by the oblique incidences of depositing atoms with high energy seems to be one of the important effects to attain high anisotropy field. It was succeeded to prepare the Ru/FeCoB film with high H{sub k} of 500 Oe.

  5. Chemical pressure tuning of URu?Si? via isoelectronic substitution of Ru with Fe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Das, Pinaki; Kanchanavatee, N.; Helton, J. S.; Huang, K.; Baumbach, R. E.; Bauer, E. D.; White, B. D.; Burnett, V. W.; Maple, M. B.; Lynn, J. W.; et al

    2015-02-01

    We have used specific heat and neutron diffraction measurements on single crystals of URu2xFexSi? for Fe concentrations x ? 0.7 to establish that chemical substitution of Ru with Fe acts as chemical pressure Pch as previously proposed by Kanchanavatee et al. [Phys. Rev. B 84, 245122 (2011)] based on bulk measurements on polycrystalline samples. Notably, neutron diffraction reveals a sharp increase of the uranium magnetic moment at x = 0.1, reminiscent of the behavior at the hidden order to large moment antiferromagnetic (LMAFM) phase transition observed at a pressure Px ? 0.5-0.7 GPa in URu?Si?. Using the unit cell volumemoredetermined from our measurements and an isothermal compressibility ?T = 5.210? GPa? for URu?Si?, we determine the chemical pressure Pch in URu2?xFexSi? as a function of x. The resulting temperature T-chemical pressure Pch phase diagram for URu2?xFexSi? is in agreement with the established temperature T-external pressure P phase diagram of URu?Si?.less

  6. Chemical pressure tuning of URu2Si2 via isoelectronic substitution of Ru with Fe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Das, Pinaki; Kanchanavatee, N.; Helton, J. S.; Huang, K.; Baumbach, R. E.; Bauer, E. D.; White, B. D.; Burnett, V. W.; Maple, M. B.; Lynn, J. W.; et al

    2015-02-26

    We have used specific heat and neutron diffraction measurements on single crystals of URu2–xFexSi₂ for Fe concentrations x ≤ 0.7 to establish that chemical substitution of Ru with Fe acts as “chemical pressure” Pch as previously proposed by Kanchanavatee et al. [Phys. Rev. B 84, 245122 (2011)] based on bulk measurements on polycrystalline samples. Neutron diffraction reveals a sharp increase of the uranium magnetic moment at x = 0.1, reminiscent of the behavior at the “hidden order” to large moment antiferromagnetic (LMAFM) phase transition observed at a pressure Px ≈ 0.5-0.7 GPa in URu₂Si₂. Using the unit cell volume determinedmore » from our measurements and an isothermal compressibility κT = 5.2×10⁻³ GPa⁻¹ for URu₂Si₂, we determine the chemical pressure Pch in URu2−xFexSi₂ as a function of x. The resulting temperature T-chemical pressure Pch phase diagram for URu2−xFexSi₂ is in agreement with the established temperature T-external pressure P phase diagram of URu₂Si₂.« less

  7. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared multifunctional ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  8. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Lui, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared multifunctional ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. These NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  9. Anomalous volume expansion in CaRu{sub 0.85}Fe{sub 0.15}O{sub 3}: Neutron powder diffraction and magnetic Compton scattering

    SciTech Connect (OSTI)

    Taniguchi, T.; Mizusaki, S.; Okada, N.; Nagata, Y.; Mori, K.; Wuernisha, T.; Kamiyama, T.; Hiraoka, N.; Itou, M.; Sakurai, Y.; Ozawa, T. C.; Noro, Y.; Samata, H.

    2007-01-01

    Neutron powder diffraction and magnetic Compton scattering measurements were conducted for ferromagnetic CaRu{sub 0.85}Fe{sub 0.15}O{sub 3} at temperatures between 10 and 300 K. Anomalous volume expansion was observed in the neutron diffraction measurement below the Curie temperature (85 K), and Invar-like behavior was observed below 40 K. However, no structural phase transition was observed down to 10 K. The strong correlation between the volume expansion, {delta}V, and the square magnetization, M{sup 2}, suggests that the anomalous volume expansion is due to the magnetovolume effect that is caused by the occurrence of ferromagnetism. The magnetic Compton scattering experiments revealed the existence of a magnetic moment on Ru and the antiferromagnetic configuration of Fe and Ru moments. The formation of a ferrimagnetic order through the induction of the magnetic moment on the Ru ion is a possible reason for the anomalous volume expansion observed for CaRu{sub 0.85}Fe{sub 0.15}O{sub 3}.

  10. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt₇Ru₃ NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication ofmore » crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.« less

  11. Inverse magnetocaloric effect in Ce(Fe{sub 0.96}Ru{sub 0.04}){sub 2}: Effect of fast neutron irradiation

    SciTech Connect (OSTI)

    Dube, V.; Mishra, P. K.; Prajapat, C. L.; Singh, M. R.; Ravikumar, G.; Rajarajan, A. K.; Sastry, P. U.; Thakare, S. V.

    2013-02-05

    We have shown the effect of fast neutron irradiation on the magnetic phase transition and magnetocaloric effect (MCE) in a doped Ce(Fe{sub 0.96}Ru{sub 0.04}){sub 2}, intermettalic. We show that this leads to suppression of MCE and a to a disordered ferromagnetic phase.

  12. Fischer–Tropsch Synthesis: Effect of Reducing Agent for Aqueous-Phase Synthesis Over Ru Nanoparticle and Supported Ru Catalysts

    SciTech Connect (OSTI)

    Pendyala, Venkat Ramana Rao; Shafer, Wilson D.; Jacobs, Gary; Graham, Uschi M.; Khalid, Syed; Davis, Burtron H.

    2014-12-27

    The effect of the reducing agent on the performance of a ruthenium nanoparticle catalyst was investigated during aqueous-phase Fischer–Tropsch synthesis using a 1 L stirred tank reactor in the batch mode of operation. For the purpose of comparison, the activity and selectivity of NaY zeolite supported Ru catalyst were also studied. NaBH4 and hydrogen were used as reducing agents in our study, and hydrogen reduced catalysts exhibited higher activities than the NaBH4 reduced catalysts, because of higher extent of reduction and a relatively lower tendency toward agglomeration of Ru particles. The Ru nanoparticle catalyst displayed higher activities than the NaY zeolite supported Ru catalyst for both reducing agents. NaBH4 reduced catalysts are less active and the carbon dioxide selectivity is higher than the hydrogen reduced catalysts. The activity of the supported Ru catalyst (Ru/NaY) was 75 % of that of the Ru nanoparticle catalyst, and has the benefit of easy wax/catalyst slurry separation by filtration. Finally, the hydrogen reduced supported Ru catalyst exhibited superior selectivity towards hydrocarbons (higher C5+ selectivity and lower selectivity to methane) than all other catalysts tested.

  13. Chemical pressure tuning of URu2Si2 via isoelectronic substitution of Ru with Fe

    SciTech Connect (OSTI)

    Das, Pinaki; Kanchanavatee, N.; Helton, J. S.; Huang, K.; Baumbach, R. E.; Bauer, E. D.; White, B. D.; Burnett, V. W.; Maple, M. B.; Lynn, J. W.; Janoschek, M.

    2015-02-26

    We have used specific heat and neutron diffraction measurements on single crystals of URu2–xFexSi₂ for Fe concentrations x ≤ 0.7 to establish that chemical substitution of Ru with Fe acts as “chemical pressure” Pch as previously proposed by Kanchanavatee et al. [Phys. Rev. B 84, 245122 (2011)] based on bulk measurements on polycrystalline samples. Neutron diffraction reveals a sharp increase of the uranium magnetic moment at x = 0.1, reminiscent of the behavior at the “hidden order” to large moment antiferromagnetic (LMAFM) phase transition observed at a pressure Px ≈ 0.5-0.7 GPa in URu₂Si₂. Using the unit cell volume determined from our measurements and an isothermal compressibility κT = 5.2×10⁻³ GPa⁻¹ for URu₂Si₂, we determine the chemical pressure Pch in URu2−xFexSi₂ as a function of x. The resulting temperature T-chemical pressure Pch phase diagram for URu2−xFexSi₂ is in agreement with the established temperature T-external pressure P phase diagram of URu₂Si₂.

  14. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) with Th{sub 7}Fe{sub 3}-type structure

    SciTech Connect (OSTI)

    Misse, Patrick R.N.; Mbarki, Mohammed; Fokwa, Boniface P.T.

    2012-08-15

    Powder samples and single crystals of the new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3}mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. - Graphical abstract: The new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) has been synthesized by arc melting the elements under purified argon atmosphere. Beside the 3d/4d site preference within the whole solid solution, an unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. Highlights: Black-Right-Pointing-Pointer Synthesis of a new boride series fulfilling Vegard Acute-Accent s rule. Black-Right-Pointing-Pointer 3d/4d site preference. Black-Right-Pointing-Pointer Unexpected Ru/Rh site preference. Black-Right-Pointing-Pointer Rh-rich region is Pauli paramagnetic. Black-Right-Pointing-Pointer Ru-rich region is Pauli and temperature-dependent paramagnetic.

  15. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported...

    Office of Scientific and Technical Information (OSTI)

    Accepted Manuscript: Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations This content will become publicly available on...

  16. Percolation theory and quantum critical systems: A new description of the critical behavior in Ce(Ru{sub 0.24}Fe{sub 0.76}){sub 2}Ge{sub 2}

    SciTech Connect (OSTI)

    Gaddy, John; Heitmann, Tom; Montfrooij, Wouter

    2014-05-07

    The onset of ordering in quantum critical systems is characterized by a competition between the Kondo shielding of magnetic moments and the ordering of these moments. We show how a distribution of Kondo shielding temperaturesresulting from chemical dopingleads to critical behavior whose main characteristics are given by percolation physics. With the aid of Monte Carlo computer simulations, we are able to infer the low temperature part of the distribution of shielding temperatures in heavily doped quantum critical Ce(Ru{sub 0.24}Fe{sub 0.76}){sub 2}Ge{sub 2}. Based on this distribution, we show that the ordering dynamicssuch as the growth of the correlation length upon coolingcan be understood by the spawning of magnetic clusters. Our findings explain why the search for universal exponents in quantum critical systems has been unsuccessful: the underlying percolation network associated with the chemical doping of quantum critical systems has to be incorporated in the modeling of these quantum critical systems.

  17. Doc.~:Ru.

    Office of Legacy Management (LM)

    .' , .' c,j .c; Distriblition:~ ;. <; ~..,:L.D.i&%.ay,FiN-OR00 Doc.~:Ru. ,.,. 75. ' Br..Reading 'ire' ,lliv. Read&q File ,: '. ~ ,, .-' . ...: - SURNAME..

  18. The series of carbon-chain complexes {Ru(dppe)Cp*}?{?-(C?C)x} (x = 48, 11): Synthesis, structures, properties and some reactions

    SciTech Connect (OSTI)

    Bruce, Michael I.; Cole, Marcus L.; Ellis, Benjamin G.; Gaudio, Maryka; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.

    2015-01-28

    The construction of a series of compounds {Ru(dppe)Cp*}2(?-C2x) (Ru*-C2x-Ru*, x = 48, 11)) is described. A direct reaction between RuCl(dppe)Cp* and Me3Si(Ctriple bond; length of mdashC)4SiMe3 afforded Ru*-C8-Ru* in 89% yield. The Pd(0)/Cu(I)-catalysed coupling of Ru{Ctriple bond; length of mdashCCtriple bond; length of mdashCAu(PPh3)}(dppe)Cp*Ru*-C4-Au (2 equiv.) with diiodoethyne gave Ru*-C10-Ru* (64%), or of 1 equiv. with I(Ctriple bond; length of mdashC)3I gave Ru*-C14-Ru* (36%); similarly, Ru{(Ctriple bond; length of mdashC)4Au(PPh3)}(dppe)Cp*Ru*-C8-Au and I(Ctriple bond; length of mdashC)3I gave Ru*-C22-Ru* (12%). Desilylation (TBAF) of Ru{(Ctriple bond; length of mdashC)xSiMe3}(dppe)Cp*Ru*-C2x-Si (x = 3, 4) followed by oxidative coupling [Cu(OAc)2/py] gave Ru*-C12-Ru* (82%) and Ru*-C16-Ru* (58%), respectively. Similar oxidative coupling of Ru(Ctriple bond; length of mdashCCtriple bond; length of mdashCH)(dppe)Cp* was a second route to Ru*-C8-Ru* (82%). Appropriate precursors are already known, or obtained by coupling of Ru*-C2x-Si (x = 2, 4) with AuCl(PPh3)/NaOMe [Ru*-C4-Au, 95%; Ru*-C8-Au, 74%] or from Pd(0)/Cu(I) catalysed coupling of Ru*-C2x-Au (x = 2, 3) with I(Ctriple bond; length of mdashC)2SiMe3 (Ru*-C8-Si, 64%; Ru*-C10-Si, 2%). Reactions between Ru*-C2x-Ru* (x = 3, 4) and Fe2(CO)9 gave {Fe3(CO)9}{?3-CCtriple bond; length of mdashC[Ru(dppe)Cp*]}2Fe(C3-Ru*)2 and {Fe3(CO)9}{?3-CCtriple bond; length of mdashC[Ru(dppe)Cp*]}{?3-C(Ctriple bond; length of mdashC)2[Ru(dppe)Cp*]} Fe(C3-Ru*)(C5-Ru*), respectively. The redox properties of the series of complexes with 2x = 216 were measured and showed a diminution of the separation of

  19. Microsoft Word - P450-I bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    analyzed at Beam Line 7-3 at SSRL. Extended x-ray absorption fine structure (EXAFS) studies on multiple sets of samples revealed that the Fe-S bond in P450-I was in fact 0.09 ...

  20. Bulk modulus and specific heat of B-site doped (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 1−x}B{sub x}O{sub 3} (B=Fe, Cr, Ru, Al, Ga)

    SciTech Connect (OSTI)

    Srivastava, Archana; Thakur, Rasna; Gaur, N. K.

    2014-04-24

    Specific heat (C{sub p}) thermal expansion (α) and Bulk modulus (B{sub T}) of lightly doped Rare Earth manganites (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 1−x}B{sub x}O{sub 3} (B{sup 3+} = Fe{sup 3+},Cr{sup 3+},Ga{sup 3+},Al{sup 3+},Ru4+); (0.3Fe{sub 0.03}O{sub 3} as a function of temperature (10K≤T≤ 200K) is found to be in agreement with the published data. The trend of variation of Debye temperature with B-site cationic radius is predicted probably for the first time for the B-site doped rare earth manganites.

  1. Effect of Ru thickness on spin pumping in Ru/Py bilayer

    SciTech Connect (OSTI)

    Behera, Nilamani; Singh, M. Sanjoy; Chaudhary, Sujeet; Pandya, Dinesh K. Muduli, P. K.

    2015-05-07

    We report the effect of Ru thickness (t{sub Ru}) on ferromagnetic resonance (FMR) line-width of Ru(t{sub Ru})/Py(23?nm) bilayer samples grown on Si(100)/SiO{sub 2} substrates at room temperature by magnetron sputtering. The FMR line-width is found to vary linearly with frequency for all thicknesses of Ru, indicating intrinsic origin of damping. For Ru thicknesses below 15?nm, Gilbert-damping parameter, ? is almost constant. We ascribe this behavior to spin back flow that is operative for Ru thicknesses lower than the spin diffusion length in Ru, ?{sub sd}. For thicknesses >15?nm (>?{sub sd}), the damping constant increases with Ru thickness, indicating spin pumping from Py into Ru.

  2. Simulating Ru L3-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

    SciTech Connect (OSTI)

    Kuiken, Benjamin E. Van; Valiev, Marat; Daifuku, Stephanie L.; Bannan, Caitlin; Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.; Govind, Niranjan; Khalil, Munira

    2013-04-26

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of RuII and RuIII complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6]4- and RuII polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5MII-CN-RuIII(NH3)5] (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  3. Glycerol Hydrogenolysis on Carbon-Supported PtRu and AuRu Bimetallic Catalysts

    SciTech Connect (OSTI)

    Maris,E.; Ketchie, W.; Murayama, M.; Davis, R.

    2007-01-01

    Bimetallic PtRu and AuRu catalysts were prepared by a surface redox method in which Pt or Au was deposited onto the surface of carbon-supported Ru nanoparticles with an average diameter of 2-3 nm. Characterization by H2 chemisorption, analytical TEM, and X-ray absorption spectroscopy at the Ru K-edge, Pt LIII-edge, and Au LIII-edge confirmed that Pt and Au were successfully deposited onto Ru without disrupting the Ru particles. Depression of the ethane hydrogenolysis rate over Ru after addition of Au provided further evidence of successful deposition. The bimetallic particles were subsequently evaluated in the aqueous-phase hydrogenolysis of glycerol at 473 K and 40 bar H2 at neutral and elevated pH. Although monometallic Pt and Ru exhibited different activities and selectivities to products, the bimetallic PtRu catalyst functioned more like Ru. A similar result was obtained for the AuRu bimetallic catalyst. The PtRu catalyst appeared to be stable under the aqueous-phase reaction conditions, whereas the AuRu catalyst was altered by the harsh conditions. Gold appeared to migrate off the Ru and agglomerate on the carbon during the reaction in liquid water.

  4. Energiegesellschaft Nordost mBH e n o | Open Energy Information

    Open Energy Info (EERE)

    Energiegesellschaft Nordost mBH e n o Jump to: navigation, search Name: Energiegesellschaft Nordost mBH (e.n.o.) Place: Germany Sector: Renewable Energy, Wind energy Product:...

  5. Structural and Architectural Evaluation of Bimetallic Nanoparticles: A Case Study of Pt−Ru Core−Shell and Alloy Nanoparticles

    SciTech Connect (OSTI)

    Alayoglu, S.; Zavalij, P; Eichhorn, B; Wang, Q; Frenkel, A; Chupas, P

    2009-01-01

    A comprehensive structural/architectural evaluation of the PtRu (1:1) alloy and Ru at Pt core-shell nanoparticles (NPs) provides spatially resolved structural information on sub-5 nm NPs. A combination of extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), pair distribution function (PDF) analyses, Debye function simulations of X-ray diffraction (XRD), and field emission transmission electron microscopy/energy dispersive spectroscopy (FE-TEM/EDS) analyses provides complementary information used to construct a detailed picture of the core/shell and alloy nanostructures. The 4.4 nm PtRu (1:1) alloys are crystalline homogeneous random alloys with little twinning in a typical face-centered cubic (fcc) cell. The Pt atoms are predominantly metallic, whereas the Ru atoms are partially oxidized and are presumably located on the NP surface. The 4.0 nm Ru at Pt NPs have highly distorted hcp Ru cores that are primarily in the metallic state but show little order beyond 8 A. In contrast, the 1-2 monolayer thick Pt shells are relatively crystalline but are slightly distorted (compressed) relative to bulk fcc Pt. The homo- and heterometallic coordination numbers and bond lengths are equal to those predicted by the model cluster structure, showing that the Ru and Pt metals remain phase-separated in the core and shell components and that the interface between the core and shell is quite normal.

  6. Facile oxygen intercalation between full layer graphene and Ru...

    Office of Scientific and Technical Information (OSTI)

    Facile oxygen intercalation between full layer graphene and Ru(0001) under ambient ... Title: Facile oxygen intercalation between full layer graphene and Ru(0001) under ambient ...

  7. Arrays of Ru Nanoclusters with Narrow Size Distribution Templated by Monolayer Graphene on Ru

    SciTech Connect (OSTI)

    Sutter, P.; Sutter, E.; Albrecht, P.; Wang, B.; Bocquet M.-L.; Wu, L.; Zhu, Y.

    2011-09-01

    Ru nanoclusters self-assemble over macroscopic sample areas during vapor deposition of Ru on monolayer graphene (MLG) on Ru(0001). The Ru nanoclusters form arrays with a mean lateral cluster diameter of {approx} 20 {angstrom}, cluster heights of 1 or 2 ML, and a size distribution that remains nearly constant with increasing coverage. Combined scanning tunneling microscopy and density functional theory (DFT) show that the clusters are templated by the MLG/Ru(0001) moire unit cell and identify the preferred binding site of the clusters as the low fcc region of the moire. Cross-sectional transmission electron microscopy (TEM) and high-resolution TEM contrast simulations experimentally demonstrate that the interaction of the Ru clusters with the underlying MLG/Ru(0001) leads to a local lifting of the graphene layer of the template. DFT calculations confirm this mechanism of interaction of the Ru clusters with the strongly coupled MLG/Ru(0001). Weakening of the graphene-support coupling via oxygen intercalation is shown to have a major effect on the assembly of Ru nanocluster arrays. With a preferred binding site lacking on decoupled graphene, the Ru nanoclusters grow significantly larger, and clusters with 1 to 4 ML height can coexist.

  8. Microsoft Word - Orbital_Reconstruction bh pp2 changes accepted...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Role of an Oxygen Vacancy Nanostructure on the Switchable Photovoltaic Effect in BiFeO 3 ... Moreover, a switchable photovoltaic effect and its diode effect have been demonstrated. 2 ...

  9. Comparison of complementary reactions for the production of {sup 261,262}Bh

    SciTech Connect (OSTI)

    Nelson, S. L.; Folden III, C. M.; Dragojevic, I.; Garcia, M. A.; Gates, J. M.; Nitsche, H.; Gregorich, K. E.; Sudowe, R.; Duellmann, Ch. E.; Eichler, R.

    2008-08-15

    Two heavy-ion induced fusion reactions producing {sup 261,262}Bh were studied using the Berkeley Gas-filled Separator at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. An excitation function for the production of {sup 262}Bh via the reaction {sup 209}Bi({sup 54}Cr,n){sup 262}Bh was measured with a maximum cross section from a fit to the data of 430 {+-} 110 pb observed at a compound nucleus excitation energy of 15.7 MeV. New data have been measured for the 1n exit channel of the {sup 208}Pb({sup 55}Mn, n){sup 262}Bh reaction. We present an updated excitation function with an observed maximum cross section of 530{+-}100 pb at a compound nucleus excitation energy of 14.1 MeV. Events corresponding to the 2n exit channel for the {sup 209}Bi({sup 54}Cr,2n){sup 261}Bh and {sup 208}Pb({sup 55}Mn,2n){sup 261}Bh reactions were also observed and are presented as partial excitation functions. The measured decay properties correspond well with existing experimental data. We compare these experimental results to cross section predictions from a model by Swiatecki et al. and discuss entrance channel effects on the magnitude of 1n cross sections.

  10. AuRu/AC as an effective catalyst for hydrogenation reactions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Villa, Alberto; Chan-Thaw, Carine E.; Campisi, Sebastiano; Bianchi, Claudia L.; Wang, Di; Kotula, Paul G.; Kübel, Christian; Prati, Laura

    2015-03-23

    AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a Aucore–Rushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface. In the latter case, the unexpected Ru enrichment could be attributed to the weak adhesion of Ru on the carbon support, thus allowing Ru particles to diffuse on Au particles. Both structures result very active in catalysing the liquid phase hydrogenolysis of glycerol and levulinic acid but the activity, the selectivitymore » and the stability depend on the structure of the bimetallic nanoparticles. Ru@Au/AC core–shell structure mostly behaved as the monometallic Ru, whereas the presence of bimetallic AuRu phase in Au@Ru/AC provides a great beneficial effect on both activity and stability.« less

  11. Preparation of MgH{sub 2} composite with a composition of 40%MgH{sub 2} + 30%LiBH{sub 4} + 30%(2LiBH{sub 4} + MgF{sub 2})

    SciTech Connect (OSTI)

    Hong, Seong-Hyeon; Song, Myoung Youp

    2012-09-15

    Graphical abstract: Hydrogen content vs. desorption time curves for consecutive 1st desorptions of 40 wt%MgH{sub 2} + 30 wt%LiBH{sub 4} + 30 wt%(2LiBH{sub 4} + MgF{sub 2}) at 533–873 K. Highlights: ► Addition of MgF{sub 2} and LiBH{sub 4} with a higher hydrogen storage capacity to MgH{sub 2}. ► Preparation of 40%MgH{sub 2} + 30%LiBH{sub 4} + 30% (2LiBH{sub 4} + MgF{sub 2}) composite. ► Examination of desorption properties of the composite. ► Total desorbed hydrogen quantity for consecutive 1st desorptions of 7.07 wt%. ► Reactions of LiBH{sub 4} → LiH + B + (3/2)H{sub 2}, and 2LiBH{sub 4} + MgF{sub 2} → 2LiF + MgB{sub 2} + 4H{sub 2}. -- Abstract: A mixture of containing two chemical equivalents of lithium borohyride and one equivalent of magnesium fluoride is known to yield hydrogen in an amount of about 7.6 wt% of the mixture when heated to about 150 °C at atmospheric pressure by the following reaction; 2LiBH{sub 4} + MgF{sub 2} = 2LiF + MgB{sub 2} + 4H{sub 2}. In order to increase hydrogen storage capacity of Mg-based materials, a mixture with a composition of 2LiBH{sub 4} + MgF{sub 2} and LiBH{sub 4}with a higher hydrogen storage capacity of 18.4 wt% were added to MgH{sub 2}. MgH{sub 2} composite with a composition of 40 wt%MgH{sub 2} + 30 wt%LiBH{sub 4} + 30 wt%(2LiBH{sub 4} + MgF{sub 2}) was prepared by reactive mechanical grinding. The hydrogen storage properties of the sample were then examined. Hydrogen content vs. desorption time curves for consecutive 1st desorptions of 40 wt%MgH{sub 2} + 30 wt%LiBH{sub 4} + 30 wt%(2LiBH{sub 4} + MgF{sub 2}) at 533–873 K showed that the total desorbed hydrogen quantity for consecutive 1st desorptions is 7.07 wt%.

  12. REVERSIBLE HYDROGEN STORAGE IN A LiBH{sub 4}-C{sub 60} NANOCOMPOSITE

    SciTech Connect (OSTI)

    Teprovich, J.; Zidan, R.; Peters, B.; Wheeler, J.

    2013-08-06

    Reversible hydrogen storage in a LiBH{sub 4}:C{sub 60} nanocomposite (70:30 wt. %) synthesized by solvent-assisted mixing has been demonstrated. During the solvent-assisted mixing and nanocomposite formation, a chemical reaction occurs in which the C{sub 60} cages are significantly modified by polymerization as well as by hydrogenation (fullerane formation) in the presence of LiBH{sub 4}. We have determined that two distinct hydrogen desorption events are observed upon rehydrogenation of the material, which are attributed to the reversible formation of a fullerane (C{sub 60}H{sub x}) as well as a LiBH4 species. This system is unique in that the carbon species (C{sub 60}) actively participates in the hydrogen storage process which differs from the common practice of melt infiltration of high surface area carbon materials with LiBH{sub 4} (nanoconfinment effect). This nanocomposite demonstrated good reversible hydrogen storage properties as well as the ability to absorb hydrogen under mild conditions (pressures as low as 10 bar H{sub 2} or temperatures as low as 150?C). The nanocomposite was characterized by TGA-RGA, DSC, XRD, LDI-TOF-MS, FTIR, 1H NMR, and APPI MS.

  13. First-principles calculated decomposition pathways for LiBH4 nanoclusters

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Huang, Zhi -Quan; Chen, Wei -Chih; Chuang, Feng -Chuan; Majzoub, Eric H.; Ozolins, Vidvuds

    2016-05-18

    Here, we analyze thermodynamic stability and decomposition pathways of LiBH4 nanoclusters using grand-canonical free-energy minimization based on total energies and vibrational frequencies obtained from density-functional theory (DFT) calculations. We consider (LiBH4)n nanoclusters with n = 2 to 12 as reactants, while the possible products include (Li)n, (B)n, (LiB)n, (LiH)n, and Li2BnHn; off-stoichiometric LinBnHm (m ≤ 4n) clusters were considered for n = 2, 3, and 6. Cluster ground-state configurations have been predicted using prototype electrostatic ground-state (PEGS) and genetic algorithm (GA) based structural optimizations. Free-energy calculations show hydrogen release pathways markedly differ from those in bulk LiBH4. While experiments havemore » found that the bulk material decomposes into LiH and B, with Li2B12H12 as a kinetically inhibited intermediate phase, (LiBH4)n nanoclusters with n ≤ 12 are predicted to decompose into mixed LinBn clusters via a series of intermediate clusters of LinBnHm (m ≤ 4n). The calculated pressure-composition isotherms and temperature-pressure isobars exhibit sloping plateaus due to finite size effects on reaction thermodynamics. Generally, decomposition temperatures of free-standing clusters are found to increase with decreasing cluster size due to thermodynamic destabilization of reaction products.« less

  14. WWS-ceremony-WW%2C-LAJ%2C-BH_crop.jpg | OSTI, US Dept of Energy Office of

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information WWS-ceremony-WW%2C-LAJ%2C-BH_crop

  15. MoRu/Be multilayers for extreme ultraviolet applications

    DOE Patents [OSTI]

    Bajt, Sasa C.; Wall, Mark A.

    2001-01-01

    High reflectance, low intrinsic roughness and low stress multilayer systems for extreme ultraviolet (EUV) lithography comprise amorphous layers MoRu and crystalline Be layers. Reflectance greater than 70% has been demonstrated for MoRu/Be multilayers with 50 bilayer pairs. Optical throughput of MoRu/Be multilayers can be 30-40% higher than that of Mo/Be multilayer coatings. The throughput can be improved using a diffusion barrier to make sharper interfaces. A capping layer on the top surface of the multilayer improves the long-term reflectance and EUV radiation stability of the multilayer by forming a very thin native oxide that is water resistant.

  16. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Han, Yong; Evans, James W.

    2015-10-27

    Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom inmore » the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).« less

  17. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

    SciTech Connect (OSTI)

    Han, Yong; Evans, James W.

    2015-10-27

    Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).

  18. Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    International science conferences in Santa Fe June 22, 2012 Focus on insulating materials and radiation effects in solids LOS ALAMOS, New Mexico, June 22, 2012-Los Alamos National...

  19. Development of bulk-type all-solid-state lithium-sulfur battery using LiBH{sub 4} electrolyte

    SciTech Connect (OSTI)

    Unemoto, Atsushi, E-mail: unemoto@imr.tohoku.ac.jp; Ikeshoji, Tamio [WPI-Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yasaku, Syun; Matsuo, Motoaki [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Nogami, Genki; Tazawa, Masaru; Taniguchi, Mitsugu [Mitsubishi Gas Chemicals Co., Ltd., 182 Tayuhama Shinwari, Kita-ku, Niigata 950-3112 (Japan); Orimo, Shin-ichi [WPI-Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2014-08-25

    Stable battery operation of a bulk-type all-solid-state lithium-sulfur battery was demonstrated by using a LiBH{sub 4} electrolyte. The electrochemical activity of insulating elemental sulfur as the positive electrode was enhanced by the mutual dispersion of elemental sulfur and carbon in the composite powders. Subsequently, a tight interface between the sulfur-carbon composite and the LiBH{sub 4} powders was manifested only by cold-pressing owing to the highly deformable nature of the LiBH{sub 4} electrolyte. The high reducing ability of LiBH{sub 4} allows using the use of a Li negative electrode that enhances the energy density. The results demonstrate the interface modification of insulating sulfur and the architecture of an all-solid-state Li-S battery configuration with high energy density.

  20. Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    International science conferences in Santa Fe June 22, 2012 Focus on insulating materials and radiation effects in solids LOS ALAMOS, New Mexico, June 22, 2012-Los Alamos National Laboratory together with New Mexico Consortium, Los Alamos National Bank and Netzsch Group are sponsoring two international conferences in Santa Fe. Organizers anticipate the arrival of more than 300 scientists from around the world. What: * The 2012 International Conference on Defects in Insulating Materials is the

  1. Stability of B-H and B-D complexes in diamond under electron beam excitation

    SciTech Connect (OSTI)

    Barjon, J.; Mehdaoui, A.; Jomard, F.; Chevallier, J.; Mer, C.; Nesladek, M.; Bergonzo, P.; Pernot, J.; Omnes, F.; Deneuville, A.

    2008-08-11

    The substitution of hydrogen by deuterium is generally known to increase the stability of the defect passivation in semiconductors, occasionally giving rise to giant isotope effects. In this work, the stability under an electron beam irradiation of boron-hydrogen and boron-deuterium pairs in diamond are compared. The dissociation kinetics was followed in situ by cathodoluminescence spectroscopy. Surprisingly, B-H complexes are more stable than B-D complexes under electron beam at low temperature ({approx}100 K), with a dissociation rate about twice smaller. These experimental results are coherent with a dissociation mechanism involving a cumulative vibrational excitation of the complexes.

  2. AuRu/AC as an effective catalyst for hydrogenation reactions

    SciTech Connect (OSTI)

    Villa, Alberto; Chan-Thaw, Carine E.; Campisi, Sebastiano; Bianchi, Claudia L.; Wang, Di; Kotula, Paul G.; Kübel, Christian; Prati, Laura

    2015-03-23

    AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a AucoreRushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface. In the latter case, the unexpected Ru enrichment could be attributed to the weak adhesion of Ru on the carbon support, thus allowing Ru particles to diffuse on Au particles. Both structures result very active in catalysing the liquid phase hydrogenolysis of glycerol and levulinic acid but the activity, the selectivity and the stability depend on the structure of the bimetallic nanoparticles. Ru@Au/AC core–shell structure mostly behaved as the monometallic Ru, whereas the presence of bimetallic AuRu phase in Au@Ru/AC provides a great beneficial effect on both activity and stability.

  3. Spin-memory loss at Co/Ru interfaces (Journal Article) | DOE...

    Office of Scientific and Technical Information (OSTI)

    Spin-memory loss at CoRu interfaces Title: Spin-memory loss at CoRu interfaces Authors: Khasawneh, Mazin A. ; Klose, Carolin ; Pratt, W. P. ; Birge, Norman O. Publication Date: ...

  4. Enhanced thermoelectric power and electronic correlations in RuSe₂

    SciTech Connect (OSTI)

    Wang, Kefeng; Wang, Aifeng; Tomic, A.; Wang, Limin; Abeykoon, A. M. Milinda; Dooryhee, E.; Billinge, S. J.L.; Petrovic, C.

    2015-03-03

    We report the electronic structure, electric and thermal transport properties of Ru₁₋xIrxSe₂ (x ≤ 0.2). RuSe₂ is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe₂ exceeds -200 µV/K around 730 K. Ir substitution results in the suppression of the resistivity and the Seebeck coefficient, suggesting the removal of the peaks in density of states near the Fermi level. Ru₀.₈Ir₀.₂Se₂ shows a semiconductor-metal crossover at about 30 K. The magnetic field restores the semiconducting behavior. Our results indicate the importance of the electronic correlations in enhanced thermoelectricity of RuSb₂.

  5. Enhanced thermoelectric power and electronic correlations in RuSe₂

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Kefeng; Wang, Aifeng; Tomic, A.; Wang, Limin; Abeykoon, A. M. Milinda; Dooryhee, E.; Billinge, S. J.L.; Petrovic, C.

    2015-03-03

    We report the electronic structure, electric and thermal transport properties of Ru₁₋xIrxSe₂ (x ≤ 0.2). RuSe₂ is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe₂ exceeds -200 µV/K around 730 K. Ir substitution results in the suppression of the resistivity and the Seebeck coefficient, suggesting the removal of the peaks in density of states near the Fermi level. Ru₀.₈Ir₀.₂Se₂ shows a semiconductor-metal crossover at about 30 K. The magnetic field restores the semiconducting behavior. Our results indicate the importance of the electronic correlations in enhanced thermoelectricity of RuSb₂.

  6. Complex of transferrin with ruthenium for medical applications. [Ru 97, Ru 103

    DOE Patents [OSTI]

    Richards, P.; Srivastava, S.C.; Meinken, G.E.

    1980-11-03

    A novel Ruthenium-transferrin complex, prepared by reacting iron-free human transferrin dissolved in a sodium acetate solution at pH 7 with ruthenium by heating at about 40/sup 0/C for about 2 hours, and purifying said complex by means of gel chromatography with pH 7 sodium acetate as eluent. The mono- or di-metal complex produced can be used in nuclear medicine in the diagnosis and/or treatment of tumors and abscesses. Comparitive results with Ga-67-citrate, which is the most widely used tumor-localizing agent in nuclear medicine, indicate increased sensitivity of detection and greater tumor uptake with the Ru-transferrin complex.

  7. Nuclear forward scattering of synchrotron radiation by 99Ru

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bessas, D.; Merkel, D. G.; Chumakov, A. I.; Ruffer, R.; Hermann, Raphael P.; Sergueev, I.; Mahmoud, A.; Klobes, B.; McGuire, Michael A.; Sougrati, M. T.; et al

    2014-10-03

    In this study, we measured nuclear forward scattering spectra utilizing the 99Ru transition, 89.571(3) keV, with a notably mixed E2/M1 multipolarity. The extension of the standard evaluation routines to include mixed multipolarity allows us to extract electric and magnetic hyperfine interactions from 99Ru-containing compounds. This paves the way for several other high-energy Mössbauer transitions, E~90 keV. Lastly, the high energy of such transitions allows for operando nuclear forward scattering studies in real devices.

  8. Carbon-Supported bimetallic Pd-Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol

    SciTech Connect (OSTI)

    Sun, Junming; Karim, Ayman M.; Zhang, He; Kovarik, Libor; Li, Xiaohong S.; Hensley, Alyssa; McEwen, Jean-Sabin; Wang, Yong

    2013-10-01

    Abstract Carbon supported metal catalysts (Cu/C, Fe/C, Pd/C, Pt/C, PdFe/C and Ru/C) have been prepared, characterized and tested for vapor-phase hydrodeoxygenation (HDO) of guaiacol (GUA) at atmospheric pressure. Phenol was the major intermediate on all catalysts. Over the noble metal catalysts saturation of the aromatic ring was the major pathway observed at low temperature (250 C), forming predominantly cyclohexanone and cyclohexanol. Substantial ring opening reaction was observed on Pt/C and Ru/C at higher reaction temperatures (e.g., 350 C). Base metal catalysts, especially Fe/C, were found to exhibit high HDO activity without ring-saturation or ring-opening with the main products being benzene, phenol along with small amounts of cresol, toluene and trimethylbenzene (TMB). A substantial enhancement in HDO activity was observed on the PdFe/C catalysts. Compared with Fe/C, the yield to oxygen-free aromatic products (i.e., benzene/toluene/TMB) on PdFe/C increased by a factor of four at 350 C, and by approximately a factor of two (83.2% versus 43.3%) at 450 C. The enhanced activity of PdFe/C is attributed to the formation of PdFe alloy as evidenced by STEM, EDS and TPR.

  9. Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+

    SciTech Connect (OSTI)

    Paul, Amit; Hull, Jonathan F.; Norris, Michael R.; Chen, Zuofeng; Ess, Daniel H.; Concepcion, Javier J.; Meyer, Thomas J.

    2011-01-20

    Significant rate enhancements are found for benzyl alcohol oxidation by the RuV=O3+ form of the water oxidation catalyst [Ru(Mebimpy)(bpy)(OH2)]2+ [Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine; bpy = 2,2'-bipyridine] compared to RuIV=O2+ and for the RuIV=O2+ form with added bases due to a new pathway, concerted hydride proton transfer (HPT).

  10. Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+

    SciTech Connect (OSTI)

    Paul, Amit; Hull, Jonathan F.; Norris, Michael R.; Chen, Zuofeng; Ess, Daniel H.; Concepcion, Javier J.; Meyer, Thomas J.

    2011-01-20

    Significant rate enhancements are found for benzyl alcohol oxidation by the RuV=O3+ form of the water oxidation catalyst [Ru(Mebimpy)(bpy)(OH2)]2+ [Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine; bpy = 2,2'-bipyridine] compared to RuIV=O2+ and for the RuIV=O2+ form with added bases due to a new pathway involving concerted hydride proton transfer (HPT).

  11. Synthesis of Pd?Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sun, Yu; Hsieh, Yu-Chi; Chang, Li-Chung; Wu, Pu-Wei; Lee, Jyh-Fu

    2014-11-22

    Nanoparticles of PdRu, Pd?Ru, and Pd?Ru are synthesized and impregnated on carbon black via a wet chemical reflux process. X-ray diffraction patterns of the as-synthesized samples, PdxRu/C (x=1/3/9), suggest succesful formation of alloy without presence of individual Pd and Ru nanoparticles. Images from transmission electron microscope confirm irregularly-shaped nanoparticles with average size below 3 nm. Analysis from extended X-ray absorption fine structure on both Pd and Ru K-edge absorption profiles indicate the Ru atoms are enriched on the surface of PdxRu/C. Among these samples, the Pd?Ru/C exhibits the strongest electrocatalytic activity for oxygen reduction reaction (ORR) in an oxygen-saturated 0.1moreM aqueous HClO? solution. Subsequently, the Pd?Ru/C undegoes Cu under potential deposition, followed by a galvanic displacement reaction to deposit a Pt monolayer on the Pd?Ru surface (Pd?Ru@Pt). The Pd?Ru@Pt reveals better ORR performance than that of Pt, reaching a mass activity of 0.38 mA ?g? Pt, as compared to that of commercially available Pt nanoparticles (0.107 mA ?g? Pt). The mechanisms responsible for the ORR enhancement are attributed to the combined effects of lattice strain and ligand interaction. In addition, this core-shell Pd?Ru@Pt electrocatalyst represents a substantial reduction in the amount of Pt consumption and raw material cost.less

  12. Synthesis of Pd9Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sun, Yu; Hsieh, Yu -Chi; Chang, Li -Chung; Wu, Pu -Wei; Lee, Jyh -Fu

    2014-11-22

    Nanoparticles of PdRu, Pd₃Ru, and Pd₉Ru are synthesized and impregnated on carbon black via a wet chemical reflux process. X-ray diffraction patterns of the as-synthesized samples, PdxRu/C (x=1/3/9), suggest succesful formation of alloy without presence of individual Pd and Ru nanoparticles. Images from transmission electron microscope confirm irregularly-shaped nanoparticles with average size below 3 nm. Analysis from extended X-ray absorption fine structure on both Pd and Ru K-edge absorption profiles indicate the Ru atoms are enriched on the surface of PdxRu/C. Among these samples, the Pd₉Ru/C exhibits the strongest electrocatalytic activity for oxygen reduction reaction (ORR) in an oxygen-saturated 0.1more » M aqueous HClO₄ solution. Subsequently, the Pd₉Ru/C undegoes Cu under potential deposition, followed by a galvanic displacement reaction to deposit a Pt monolayer on the Pd₉Ru surface (Pd₉Ru@Pt). The Pd₉Ru@Pt reveals better ORR performance than that of Pt, reaching a mass activity of 0.38 mA μg⁻¹ Pt, as compared to that of commercially available Pt nanoparticles (0.107 mA μg⁻¹ Pt). Thus, the mechanisms responsible for the ORR enhancement are attributed to the combined effects of lattice strain and ligand interaction. In addition, this core-shell Pd₉Ru@Pt electrocatalyst represents a substantial reduction in the amount of Pt consumption and raw material cost.« less

  13. Photoelectrocatalytic study of water oxidation at n-RuS{sub 2} electrodes

    SciTech Connect (OSTI)

    Salvador, P.; Alonso-Vante, N.; Tributsch, H.

    1998-01-01

    A kinetic study of the photocatalytic oxidation of water at a n-RuS{sub 2} semiconducting single crystal has been undertaken on the basis of photocurrent transients (photocurrent-time behavior as a function of the polarization potential, illumination intensity, and temperature) and electrolyte electroreflectance experiments. The main factor defining the catalytic activity of RuS{sub 2} for water oxidation, both in the dark and under illumination, is a low overpotential ({eta} {approx} 0.3 V), which is comparable to that of the RuO{sub 2} catalyst for oxygen evolution at darkness. Evidence has been given that {eta} is determined by the E{sup o}(Ru{sub s}-OH{sup 0}/Ru{sub s}-H{sub 2}O) redox potential, which strongly depends on the bonding energy of Ru surface species with OH{sup o} radicals generated by direct oxidation of adsorbed water molecules (interfacial Ru-peroxo-type complex formation). This bonding energy increases as the RuS{sub 2} surface becomes oxidized under anodic polarization and reaches its maximum value at the potential of the S{sub 2}RuO{sub 2}/RuS{sub 2} transition (VIII Ru oxidation state). Further oxidation of the Ru-peroxo-type complexes leads to oxygen evolution at a rate which increases with the degree of oxidation of the Ru surface active centers. Although O{sub 2} evolution probably already takes place on Ru(VI) surface sites, high evolution rates (current densities) are only reached under oxidation state VIII. However, in this state (idealized S{sub 2}Ru(VIII)O{sub 2}) Ru-S surface bonds are weakened and occasionally broken, contributing to RuS{sub 2} dissolution with generation of volatile RuO{sub 4} and SO{sub 4}{sup 2{minus}} soluble ions as the main corrosion products. This phenomenon may be attributed to the reaction in acidic medium of H{sub 2}O molecules with Ru(VIII) surface species, giving rise to the formation of unstable intermediate complexes.

  14. Dimerization Induced Deprotonation of Water on RuO2(110)

    SciTech Connect (OSTI)

    Mu, Rentao; Cantu Cantu, David; Lin, Xiao; Glezakou, Vassiliki Alexandra; Wang, Zhitao; Lyubinetsky, Igor; Rousseau, Roger J.; Dohnalek, Zdenek

    2014-10-02

    RuO2 has proven to be indispensable as a co-catalyst in numerous systems designed for photocatalytic water splitting. In this study we have carried out a detailed mechanistic study of water behavior on the most stable RuO2 face, RuO2(110), by employing variable temperature scanning tunneling microscopy and density functional theory calculations. We show that water monomers adsorb molecularly on Ru sites, become mobile above 238 K, diffuse along the Ru rows and form water dimers. The onset for dimer diffusion is observed at ~277 K indicating significantly higher diffusion barrier than that for monomers. More importantly, we find that water dimers deprotonate readily to form Ru-bound H3O2 and bridging OH species. The observed behavior is compared and contrasted with that observed for water on isostructural rutile TiO2(110).

  15. Measurement of 3H in soil cores from the Hyrax Event (U3bh) subsidence crater

    SciTech Connect (OSTI)

    Kreek, S.; Hudson, G.B.; Ruth, M.

    1996-07-01

    Core samples were collected from two boreholes drilled in the subsidence crater of the Hyrax event (U3bh). The moisture in the core samples was extracted via freeze drying and tritiw-n was measured in the extracted moisture via `He accumulation mass spectrometry or liquid scintillation counting. Elevated tritium concentrations (IE4 - IE6 pCi/L extracted moisture as of the time of measurement) were observed in the extracted moisture from virtually all of the core samples with significant increases beginning at about 30 ft depth. No longer-lived fission products (144 Ce) or activation products (`OCo, `Eu, 114 En) were observed by gamma-ray spectroscopy in a subset of the core samples. This likely indicates that a catastrophic failure of containment (if it occurred) did not release significant radioactivities to this shallow depth (30 ft). The presence of `Cs at much greater depths (@210 ft, 64 m) may indicate that gaseous and/or vapor products were released shortly after the Hyrax event to a depth of about 210 ft. The relatively shallow depth where the elevated tritium is observed makes highly improbable any significant linkage between the elevated tritium concentrations and a Hyrax event containment failure. This may indicate that an additional source of enriched `H was introduced at this site.

  16. High performance Nd-Fe-B permanent magnets without critical elements

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Pathak, Arjun K.; Gschneidner, Jr., K. A.; Khan, M.; McCallum, R. W.; Pecharsky, V. K.

    2016-01-28

    Scanning electron microscopy, and magnetization measurements reveal that as cast (Nd1–xCex)2Fe14B alloys contain significant amounts of α-Fe that can be dramatically reduced by annealing the alloys at 1000 °C for 3 days. The room temperature intrinsic coercivity, Hci, of (Nd0.8Ce0.2)2.2Fe14B melt spun ribbons was found to be 11 kOe, which is ~32 to ~10% higher in comparison to that of Nd2Fe14B (Hci = 8.3 kOe), and (Nd0.8Ce0.2)2.0Fe14B (Hci = 10 kOe), respectively. The substitution of Co for Fe in (Nd0.8Ce0.2)2Fe14–zCozB significantly increases both TC and the maximum energy product, (BH)max. Our study shows that both Co-containing and Co-free Ce-substituted Nd2Fe14Bmore » alloys have excellent magnetic properties at room temperature and above. As a result, the experimental results also demonstrate the potential of Nd-Ce-Fe-TM-B based alloys as alternative to expensive Dy-containing high performance rare earth magnets.« less

  17. Isotopic fractionation associated with [NiFe]- and [FeFe]-hydrogenases...

    Office of Scientific and Technical Information (OSTI)

    Isotopic fractionation associated with NiFe- and FeFe-hydrogenases Citation Details In-Document Search Title: Isotopic fractionation associated with NiFe- and ...

  18. miniFE

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    miniFE miniFE Description FE is a Finite Element mini-application which implements a couple of kernels representative of implicit finite-element applications. It assembles a sparse...

  19. Magnetic properties and spin polarization of Ru doped half metallic CrO{sub 2}

    SciTech Connect (OSTI)

    West, Kevin G.; Dao, Nam N. H.; Lu, Jiwei; Osofsky, Michael; Mazin, I. I.; Wolf, Stuart A.

    2015-07-06

    Chromium dioxide (CrO{sub 2}) is a half metal that is of interest for spintronic devices. It has not been synthesized through traditional physical vapor deposition (PVD) techniques because of its thermodynamic instability in low oxygen pressures. Epitaxial thin films of Ru doped tetragonal rutile CrO{sub 2} were synthesized by a PVD technique. The as-deposited Ru{sub x}Cr{sub 1−x}O{sub 2} was ferrimagnetic with the saturation magnetization moment showing a strong dependence on the Ru concentration. Curie temperature as high as 241 K has been obtained for ∼23 at. % Ru. The Ru substitution increased the electrical conductivity by increasing the minority spin concentration. The spin polarization was found to be as high as 70% for 9 at. % Ru and decreased to ∼60% with Ru concentrations up to ∼44 at. %, which is determined by the Fermi velocities of the majority and minority spins. First principle calculations were performed to understand the effect of Ru content on the properties of CrO{sub 2}. The PVD processes of Ru doped CrO{sub 2} could lead to the practical applications of the high spin polarization of CrO{sub 2} in spintronic devices.

  20. Sol-gel Ru/SiO[sub 2] - catalysts: Theoretical and experimental determination of the Ru-in-silica structures

    SciTech Connect (OSTI)

    Lopez, T.; Gomez, R.; Novaro, O. ); Ramirez-Solis, A.; Sanchez-Mora, E.; Castillo, S.; Poulain, E.; Martinez-Magadan, J.M. )

    1993-05-01

    Preparation of Ru/SiO[sub 2] catalysts with sol-gel techniques allows better selectivity and much greater resistance to coke formation and deactivation than the traditional impregnation method. This has been attributed to the incorporation of Ru into the silica network for the sol-gel catalyst. To further understand the structure of the Ru occluded in the silica network, a variety of spectroscopical studies and quantum mechanical calculations were carried out, confirming previously proposed structures and showing good agreement between the theoretical and experimental results. 26 refs., 10 figs., 2 tabs.

  1. Low leakage Ru-strontium titanate-Ru metal-insulator-metal capacitors for sub-20 nm technology node in dynamic random access memory

    SciTech Connect (OSTI)

    Popovici, M. Swerts, J.; Redolfi, A.; Kaczer, B.; Aoulaiche, M.; Radu, I.; Clima, S.; Everaert, J.-L.; Van Elshocht, S.; Jurczak, M.

    2014-02-24

    Improved metal-insulator-metal capacitor (MIMCAP) stacks with strontium titanate (STO) as dielectric sandwiched between Ru as top and bottom electrode are shown. The Ru/STO/Ru stack demonstrates clearly its potential to reach sub-20 nm technology nodes for dynamic random access memory. Downscaling of the equivalent oxide thickness, leakage current density (J{sub g}) of the MIMCAPs, and physical thickness of the STO have been realized by control of the Sr/Ti ratio and grain size using a heterogeneous TiO{sub 2}/STO based nanolaminate stack deposition and a two-step crystallization anneal. Replacement of TiN with Ru as both top and bottom electrodes reduces the amount of electrically active defects and is essential to achieve a low leakage current in the MIM capacitor.

  2. Mechanism of water oxidation by [Ru(bda)(L)?]: The return of the "blue dimer"

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Concepcion, Javier J.; Zhong, Diane K.; Szalda, David J.; Muckerman, James T.; Fujita, Etsuko

    2015-02-05

    We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)?] including X-ray structure of intermediates, their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)?], revealing key features unavailable from solution studies with sacrificial oxidants.

  3. Enhanced oxygen evolution activity of IrO2 and RuO2 (100) surfaces...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Enhanced oxygen evolution activity of IrO2 and RuO2 (100) surfaces Citation Details In-Document Search ... Here we report that the (100) surface of IrO2 and RuO2 is ...

  4. The Thermal Behavior of Pd on Graphene/Ru(0001)

    SciTech Connect (OSTI)

    Yi, Cheol-Woo W.; Szanyi, Janos

    2015-11-01

    The thermal behavior of various amounts of palladium deposited onto graphene/Ru(0001) at room temperature was investigated by x-ray photoelectron spectroscopy (XPS) and infrared reflection absorption spectroscopy (IRAS) of adsorbed CO. IRAS spectra of adsorbed CO on palladium deposited onto the graphene layer reveal the formation of defect-rich, highly-stepped and/or nanoparticle-typed palladium clusters. Annealing to temperatures below ~900 K, palladium clusters mainly experience agglomeration on the graphene layer, but at higher temperatures intercalation of palladium between the graphene layer and Ru substrate takes place. Eventually, palladium completely desorbs and the graphene layer dissolves into the ruthenium substrate at 1400 K. Even though the annealing induces the intercalation and desorption of palladium, the topmost graphene layer stays intact without any physical damage at and below 1300 K. We gratefully acknowledge the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division for the support of this work. The research described in this article was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle Memorial Institute under contract number DE-AC05-76RL01830. CWY also acknowledges the support of this work by Sungshin Women’s University Research Grant of 2014.

  5. High antiferromagnetic transition temperature of a honeycomb compound SrRu2O6

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tian, Wei; Svoboda, Chris; Ochi, M.; Matsuda, M.; Cao, Huibo; Cheng, J. -G.; Sales, B. C.; Mandrus, D.; Arita, R.; Trivedi, Nandini; et al

    2015-09-14

    We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu2O6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu2O6 crystallizes into the hexagonal lead antimonate (PbSb2O6, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr2+ ions. SrRu2O6 is found to order at TN = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) μB/Ru at room temperature and is along the crystallographic c axis in the G-type magnetic structure. We perform density functional calculations with constrained random-phase approximation (RPA)more » to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed TN .« less

  6. Synthesis of Pd9Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes

    SciTech Connect (OSTI)

    Sun, Yu; Hsieh, Yu -Chi; Chang, Li -Chung; Wu, Pu -Wei; Lee, Jyh -Fu

    2014-11-22

    Nanoparticles of PdRu, Pd?Ru, and Pd?Ru are synthesized and impregnated on carbon black via a wet chemical reflux process. X-ray diffraction patterns of the as-synthesized samples, PdxRu/C (x=1/3/9), suggest succesful formation of alloy without presence of individual Pd and Ru nanoparticles. Images from transmission electron microscope confirm irregularly-shaped nanoparticles with average size below 3 nm. Analysis from extended X-ray absorption fine structure on both Pd and Ru K-edge absorption profiles indicate the Ru atoms are enriched on the surface of PdxRu/C. Among these samples, the Pd?Ru/C exhibits the strongest electrocatalytic activity for oxygen reduction reaction (ORR) in an oxygen-saturated 0.1 M aqueous HClO? solution. Subsequently, the Pd?Ru/C undegoes Cu under potential deposition, followed by a galvanic displacement reaction to deposit a Pt monolayer on the Pd?Ru surface (Pd?Ru@Pt). The Pd?Ru@Pt reveals better ORR performance than that of Pt, reaching a mass activity of 0.38 mA ?g? Pt, as compared to that of commercially available Pt nanoparticles (0.107 mA ?g? Pt). Thus, the mechanisms responsible for the ORR enhancement are attributed to the combined effects of lattice strain and ligand interaction. In addition, this core-shell Pd?Ru@Pt electrocatalyst represents a substantial reduction in the amount of Pt consumption and raw material cost.

  7. Fabrication of MgAl{sub 2}O{sub 4} tunnel barrier by radio frequency-sputtering method and magnetoresistance effect through it with Fe or Fe{sub 4}N ferromagnetic electrode

    SciTech Connect (OSTI)

    Tsunoda, Masakiyo; Chiba, Ryoichi; Kabara, Kazuki

    2015-05-07

    Spinel MgAl{sub 2}O{sub 4} thin films were deposited on MgO single-crystal substrates and epitaxial Fe (or Fe{sub 4}N) thin films by RF-sputtering from a ceramic target. Epitaxial relationship was confirmed by X-ray diffraction analysis between the crystalline spinel MgAl{sub 2}O{sub 4} films and the respective substrate and underlayers, while no diffraction peak was observed from the films deposited on amorphous substrates. Spin-valve type magnetic tunnel junctions (MTJs) with a stacking structure of Fe [Fe{sub 4}N]/MgAl{sub 2}O{sub 4}/CoFeB/Ru/Fe/MnIr exhibited normal [inverse] tunnel magnetoresistance (TMR) effect, reflecting the sign of spin polarization of Fe [Fe{sub 4}N]. The maximum magnitude of the TMR ratio obtained for the Fe-based and Fe{sub 4}N-based MTJs was 67% and 18%, respectively. The resistance area product values of the MTJs were significantly larger than the reported values for the MTJs with a post-oxidized spinel MgAl{sub 2}O{sub 4} barrier.

  8. Getting to Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Getting to Santa Fe Getting to Santa Fe Find quick links on hotel and transportation information. Explore the surrounding area while you visit Santa Fe. Institute Administrator Caryll Blount Institute for Materials Science (505) 665-3950 Email La Fonda La Fonda on the Plaza 100 E. San Francisco St. Santa Fe, NM 87501 General phone numbers: 1-505-982-5511 1-800-523-5002 Concierge (Rebekah): concierge@lafondasantafe.com Additional Travel Information Santa Fe Travel site: This site provides you

  9. Synthesis and thermoelectric properties of RuO{sub 2} nanorods

    SciTech Connect (OSTI)

    Music, Denis; Basse, Felix H.-U.; Schneider, Jochen M.; Hassdorf, Ralf

    2010-07-15

    We have explored the effect of the O/Ru ratio on the morphology and the Seebeck coefficient of RuO{sub 2} nanorods (space group P4{sub 2}/mnm) synthesized by reactive sputtering. At an O/Ru ratio of 1.69, a faceted surface is observed, while nanorod formation occurs at O/Ru ratios of 2.03 and 2.24. Using classical molecular dynamics with the potential parameters derived in this work, we show that volatile species enable nanorod formation. Based on ab initio calculations, two effects of the nanorod formation on the Seebeck coefficient are observed: (i) increase due to additional states in the vicinity of the Fermi level and (ii) decrease due to oxygen point defects (volatile species). These two competing effects give rise to a moderate increase in the Seebeck coefficient upon nanorod formation.

  10. Tuning the metal-insulator crossover and magnetism in SrRuO3...

    Office of Scientific and Technical Information (OSTI)

    in SrRuO3 by ionic gating Reversible control of charge transport and magnetic ... We report a reversible control of charge transport, metal-insulator crossover and ...

  11. Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer"

    SciTech Connect (OSTI)

    Concepcion, Javier J.; Zhong, Diane K.; Szalda, David J.; Muckerman, James T.; Fujita, Etsuko

    2015-02-05

    We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)₂] including X-ray structure of intermediates, their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)₂], revealing key features unavailable from solution studies with sacrificial oxidants.

  12. Epitaxial growth of highly conductive RuO{sub 2} thin films on (100) Si

    SciTech Connect (OSTI)

    Jia, Q.X.; Song, S.G.; Wu, X.D.; Cho, J.H.; Foltyn, S.R.; Findikoglu, A.T.; Smith, J.L.

    1996-02-01

    Conductive RuO{sub 2} thin films have been heteroepitaxially grown by pulsed laser deposition on Si substrates with yttria-stabilized zirconia (YSZ) buffer layers. The RuO{sub 2} thin films deposited under optimized processing conditions are {ital a}-axis oriented normal to the Si substrate surface with a high degree of in-plane alignment with the major axes of the (100) Si substrate. Cross-sectional transmission electron microscopy analysis on the RuO{sub 2}/YSZ/Si multilayer shows an atomically sharp interface between the RuO{sub 2} and the YSZ. Electrical measurements show that the crystalline RuO{sub 2} thin films are metallic over a temperature range from 4.2 to 300 K and are highly conductive with a room-temperature resistivity of 37{plus_minus}2 {mu}{Omega}cm. The residual resistance ratio ({ital R}{sub 300K}/{ital R}{sub 4.2K}) above 5 for our RuO{sub 2} thin films is the highest ever reported for such films on Si substrates. {copyright} {ital 1996 American Institute of Physics.}

  13. New insights into the thermodynamic behavior of 2LiBH4-MgH2 composite for hydrogen storage

    SciTech Connect (OSTI)

    Cova, Federico; Ronnebro, Ewa; Choi, Yong-Joon; Gennari, Fabiana; Larochette, Pierre

    2015-06-15

    The composite 2LiBH4:MgH2 has been studied as a possible hydrogen storage material due to its high storage capacity. The present work is directed towards the clarification of the thermodynamic behavior of the system, especially in the temperature region above 400C. We reveal different reaction paths during hydrogen absorption and desorption at various temperatures which has important implication for applications. At temperatures higher than 413C, the observation of two different absorption pressure plateaus indicates that two different reactions occur, however, below this temperature there is only one plateau present in the system. During desorption, the double plateau can be observed at temperatures as low as 375C.

  14. Excitation function for the production of 262Bh (Z = 107) in theodd-Z projectile reaction 208Pb(55Mn, n)

    SciTech Connect (OSTI)

    Folden III, C.M.; Nelson, S.L.; Dullmann, Ch.E.; Schwantes, J.M.; Sudowe, R.; Zielinski, P.M.; Gregorich, K.E.; Nitsche, H.; Hoffman, D.C.

    2005-05-16

    The excitation function for production of 262Bh in the odd-Z-projectile reaction 208Pb(55Mn,n) has been measured at three projectile energies using the Berkeley Gas-filled Separator at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. In total, 33 decay chains originating from 262Bh and 2 decay chains originating from 261Bh were observed. The measured decay properties are in good agreement with previous reports. The maximum cross section of 540 +180 - 150 pb is observed at a lab-frame center-of-target energy of 264.0 MeV and is more than fives times larger than that expected based on previously reported results for production of 262Bh in the analogous even-Z-projectile reaction 209Bi(54Cr,n). Our results indicate that the optimum beam energy in one-neutron-out heavy-ion fusion reactions can be estimated simply using the ''Optimum Energy Rule'' proposed by Swiatecki, Siwek-Wilczynska, and Wilczynski.

  15. X-ray and Raman spectroscopic studies on Ru substituted LiMn{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Kalavathi, S.; Ravindran, T. R.; Sahu, P. Ch.; Kalaivani, D.

    2015-06-24

    Phase pure Ru substituted LiMn{sub 2}O{sub 4} charge frustrated spinel compounds have been synthesized. Ru substitution for Mn is possible only up to 7.5%. Powder diffraction measurements confirm sustenance of charge frustrated cubic phase with space group Fd3m upon substitution of Ru for Mn. An increase in lattice parameter has been observed indicating replacement of Mn as Ru{sup 3+} or Ru{sup 4+} rather than Ru{sup 5+}. Raman spectroscopic measurements show that the crystal structure is robust against an increase of laser power and the observed bands show an expected red shift. In the case of Ru substituted LiMn{sub 2}O{sub 4}, the A{sub 1g} symmetric stretching mode, the F{sup (1)}{sub 2g} and the F{sup (2)}{sub 2g} symmetric bending modes identified with the Mn-O octahedra show a red shift up to Ru 0.075 and at higher Ru concentrations, revert back to the frequency corresponding to the pristine LiMn{sub 2}O{sub 4}.

  16. The influence of microstructure on magnetic properties of nanocrystalline Fe-Pt-Nb-B permanent magnet ribbons

    SciTech Connect (OSTI)

    Randrianantoandro, N.; Greneche, J. M.; Crisan, A. D.; Crisan, O.; Marcin, J.; Kovac, J.; Hanko, J.; Skorvanek, I.; Svec, P.; Chrobak, A.

    2010-11-15

    A FePt-based hard-magnetic nanocomposite of exchange spring type was prepared by isothermal annealing of melt-spun Fe{sub 52}Pt{sub 28}Nb{sub 2}B{sub 18} (atomic percent) ribbons. The relationship between microstructure and magnetic properties was investigated by qualitative and quantitative structural analysis based on the x-ray diffraction, transmission electron microscopy, and {sup 57}Fe Moessbauer spectrometry on one hand and the superconducting quantum interference device magnetometry on the other hand. The microstructure consists of L1{sub 0}-FePt hard-magnetic grains (15-45 nm in diameter) dispersed in a soft magnetic medium composed by A1 FePt, Fe{sub 2}B, and boron-rich (FeB)PtNb remainder phase. The ribbons annealed at 700 deg. C for 1 h exhibit promising hard-magnetic properties at room temperature: M{sub r}/M{sub s}=0.69; H{sub c}=820 kA/m and (BH){sub max}=70 kJ/m{sup 3}. Strong exchange coupling between hard and soft magnetic phases was demonstrated by a smooth demagnetizing curve and positive {delta}M-peak in the Henkel plot. The magnetic properties measured from 5 to 750 K reveals that the hard characteristics remains rather stable up to 550 K, indicating a good prospect for the use of these permanent magnets in a wide temperature range.

  17. Soft Landing of Bare PtRu Nanoparticles for Electrochemical Reduction of Oxygen

    SciTech Connect (OSTI)

    Johnson, Grant E.; Colby, Robert J.; Engelhard, Mark H.; Moon, DaeWon; Laskin, Julia

    2015-08-07

    Magnetron sputtering of two independent Pt and Ru targets coupled with inert gas aggregation in a modified commercial source has been combined with soft landing of mass-selected ions to prepare bare 4.5 nm diameter PtRu alloy nanoparticles on glassy carbon electrodes with controlled size and morphology for electrochemical reduction of oxygen in solution. Employing atomic force microscopy (AFM) it is shown that the nanoparticles bind randomly to the glassy carbon electrode at a relatively low coverage of 7 x 104 ions µm-2 and that their average height is centered at 4 nm. Scanning transmission electron microscopy images obtained in the high-angle annular dark field mode (STEM-HAADF) further confirm that the soft-landed PtRu alloy nanoparticles are uniform in size and have a Ru core decorated with small regions of Pt on the surface. Wide-area scans of the electrodes using X-ray photoelectron spectroscopy (XPS) reveal the presence of both Pt and Ru in relative atomic concentrations of ~9% and ~33%, respectively. Deconvolution of the high energy resolution XPS spectra in the Pt4f and Ru3d regions indicates the presence of both oxidized Pt and Ru. The substantially higher loading of Ru compared to Pt and enrichment of Pt at the surface of the alloy nanoparticles is confirmed by wide-area analysis of the electrodes using time-of-flight medium energy ion scattering (TOF-MEIS) employing both 80 keV He+ and O+ ions. The activity of electrodes containing 7 x 104 ions µm-2 of bare 4.5 nm PtRu nanoparticles toward the electrochemical reduction of oxygen was evaluated employing cyclic voltammetry (CV) in 0.1 M HClO4 and 0.5 M H2SO4 solutions. In both electrolytes a pronounced reduction peak was observed during O2 purging of the solution that was not evident during purging with Ar. Repeated electrochemical cycling of the electrodes revealed little evolution in the shape or position of the voltammograms indicating high stability of the alloy nanoparticles supported on glassy

  18. Influence of Electron Doping on Magnetic Order in CeRu2Al10

    SciTech Connect (OSTI)

    Kobayashi, Riki; Kaneko, Koji; Saito, Kotaro; Mignot, Jean-Michel; Andre, Gilles; Robert, Julien; Wakimoto, Shuichi; Matsuda, Masaaki; Chi, Songxue; Haga, Yoshinori; Matsuda, Tatsuma; Yamamoto, Etsuji; Nishioka, Takashi; Tanida, Hiroshi; Sera, Masafumi

    2014-01-01

    The effect of electron doping by the substitution of Rh for Ru on unconventional magnetic order in CeRu2Al10 was investigated via neutron powder diffraction. In Ce(Ru1 xRhx)2Al10 with x = 0.05, 0.12, and 0.2, reorientation of the ordered moment from the c-axis as in pure CeRu2Al10 to the a-axis takes place in all samples, while the ordering vector q 0; 1; 0 remains unchanged within this concentration range. The moment reorientation is accompanied by an increase in its size by a factor of 2.4, from = 0.43 B at x = 0 to = 1.06, 1.04, and 1.02 B for x = 0.05, 0.12, and 0.2, respectively. The continuous decrease in the N el temperature T0(TN), despite an abrupt increase in , underlines the strong anisotropy in the exchange interaction in CeRu2Al10 and the fact that this anisotropy is easily suppressed by electron doping. 1.

  19. On the solubility of yttrium in RuO{sub 2}

    SciTech Connect (OSTI)

    Music, Denis; Zumdick, Naemi A.; Hallstedt, Bengt; Schneider, Jochen M.

    2011-09-01

    We have investigated the solubility of Y in rutile RuO{sub 2} using experimental and theoretical methods. Nanostructured Ru-Y-O thin films were synthesized via combinatorial reactive sputtering with an O/metal ratio of 2.6 and a Y content of 0.3 to 12.6 at. %. A solubility limit of 1.7 at. % was identified using x-ray photoelectron spectroscopy and x-ray diffraction. Based on ab initio and thermodynamic modeling, the solubility of Y can be understood. Smaller Y amounts are incorporated into the lattice, forming a metastable film, with local structural deformations due to size effects. As the Y content is increased, extensive local structural deformations are observed, but phase separation does not occur due to kinetic limitations. Nanostructured RuO{sub 2} alloyed with Y might lead to enhanced phonon scattering and quantum confinement effects, which in turn improve the thermoelectric efficiency.

  20. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(? H)}+

    SciTech Connect (OSTI)

    Fagan, Paul J.; Voges, Mark H.; Bullock, R. Morris

    2010-02-22

    {[Cp*Ru(CO)2]2(? H)}+OTf functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H2 (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates ?-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et2C=O show that the catalyst loading can be <0.1 mole %, and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO)2(?2-H2)]+OTf- being formed under the reaction conditions from reaction of H2 with {[Cp*Ru(CO)2]2(? H)}+OTf .

  1. miniFE

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    miniFE miniFE Description FE is a Finite Element mini-application which implements a couple of kernels representative of implicit finite-element applications. It assembles a sparse linear-system from the steady-state conduction equation on a brick-shaped problem domain of linear 8-node hex elements. It then solves the linear-system using a simple un-preconditioned conjugate-gradient algorithm. Thus the kernels that it contains are: computation of element-operators (diffusion matrix, source

  2. Ferromagnetic Kondo lattice CeRuSi{sub 2} with non-Fermi-liquid behavior

    SciTech Connect (OSTI)

    Nikiforov, V. N.; Baran, M.; Irkhin, V. Yu.

    2013-05-15

    The structure, electronic, thermodynamic, and magnetic properties of the CeRuSi{sub 2} Kondo lattice with ferromagnetic ordering characterized by a small moment of the ground state are investigated. Anomalies in the temperature dependences of heat capacity and resistivity (unusual power or logarithmic behavior) observed in the low-temperature range indicate a non-Fermi-liquid behavior. The results are compared with those for other Ce{sub l}Ru{sub n}X{sub m} compounds and anomalous systems based on rare-earth elements and actinides that had been studied earlier.

  3. BIG RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST

    U.S. Energy Information Administration (EIA) Indexed Site

    RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST OWN BU RNSIDE MILLSTONE FROSTBUR G JUN EAU PLU MVILLE CHERRY HILL KAN E BOSWELL MAR ION CENT ER CREEKSIDE SALTSBUR G POINT N BLAIR SVILL E COU NCIL RU N SIGEL LEWISVILLE BEAR C REEK AR MBRUST OHIOPYLE HALLT ON BR OOKVILLE MAR KTON NOL O RAT HMEL COR SICA MAR CHAND SMIC KSBU RG HOWE APOLLO SEVEN SPRIN GS YAT ESBORO MCNEES LUCIND A GEORGE PIN EY LEEPER TIMBLIN WILL ET FERGUSON CLIMAX PANIC DAVY HILL TIDIOUT E GRAMPIAN SLIGO ROC KVI LLE

  4. Effects of varying CoCrV seed layer deposition pressure on Ru crystallinity in perpendicular magnetic recording media

    SciTech Connect (OSTI)

    Joost, W. [Heraeus Materials Technology, Chandler, Arizona 85226 (United States); School of Materials, Arizona State University, Tempe, Arizona 85287 (United States); Das, A. [Heraeus Materials Technology, Chandler, Arizona 85226 (United States); Alford, T. L. [School of Materials, Arizona State University, Tempe, Arizona 85287 (United States)

    2009-10-01

    The effects of varying deposition parameters of a CoCrV seed layer under Ru on the structural and interfacial properties of both layers were studied. While sputtering power showed little effect on film structure, sputtering pressure during deposition of the seed layer had a significant effect on the structural properties of the seed layer. In particular, the grain morphology and crystallinity of the seed layer varied considerably with deposition pressure. Deposition of Ru using a constant recipe for all samples demonstrated the effect of varying seed layer deposition pressure on the Ru layer. The strain energy of the Ru film, a measurement of contraction due to the registry with the seed layer, was greatest at moderate seed layer sputtering pressures, while the Ru(0002) peak area was greatest at low sputtering pressures. The competing contributions of interfacial energy and strain energy describe this effect, with interfacial energy dominating at low sputtering pressures.

  5. Heteroepitaxial growth of highly conductive metal oxide RuO{sub 2} thin films by pulsed laser deposition

    SciTech Connect (OSTI)

    Jia, Q.X.; Wu, X.D.; Foltyn, S.R.; Findikoglu, A.T.; Tiwari, P.; Zheng, J.P.; Jow, T.R.

    1995-09-18

    Highly conductive ruthenium oxide (RuO{sub 2}) has been epitaxially grown on LaAlO{sub 3} substrates by pulsed laser deposition. The RuO{sub 2} film is ({ital h}00) oriented normal to the substrate surface. The heteroepitaxial growth of RuO{sub 2} on LaAlO{sub 3} is demonstrated by the strong in-plane orientation of thin films with respect to the major axes of the substrate. High crystallinity of RuO{sub 2} thin films is also determined from Rutherford backscattering channeling measurements. Electrical measurements on the RuO{sub 2} thin films demonstrate a quite low room-temperature resistivity of 35{plus_minus}2 {mu}{Omega} cm at deposition temperatures of above 500 {degree}C. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  6. NiW and NiRu Bimetallic Catalysts for Ethylene Steam Reforming: Alternative Mechanisms for Sulfur Resistance

    SciTech Connect (OSTI)

    Rangan, M.; Yung, M. M.; Medlin, J. W.

    2012-06-01

    Previous investigations of Ni-based catalysts for the steam reforming of hydrocarbons have indicated that the addition of a second metal can reduce the effects of sulfur poisoning. Two systems that have previously shown promise for such applications, NiW and NiRu, are considered here for the steam reforming of ethylene, a key component of biomass derived tars. Monometallic and bimetallic Al{sub 2}O{sub 3}-supported Ni and W catalysts were employed for ethylene steam reforming in the presence and absence of sulfur. The NiW catalysts were less active than Ni in the absence of sulfur, but were more active in the presence of 50 ppm H{sub 2}S. The mechanism for the W-induced improvements in sulfur resistance appears to be different from that for Ru in NiRu. To probe reasons for the sulfur resistance of NiRu, the adsorption of S and C{sub 2}H{sub 4} on several bimetallic NiRu alloy surfaces ranging from 11 to 33 % Ru was studied using density functional theory (DFT). The DFT studies reveal that sulfur adsorption is generally favored on hollow sites containing Ru. Ethylene preferentially adsorbs atop the Ru atom in all the NiRu (111) alloys investigated. By comparing trends across the various bimetallic models considered, sulfur adsorption was observed to be correlated with the density of occupied states near the Fermi level while C{sub 2}H{sub 4} adsorption was correlated with the number of unoccupied states in the d-band. The diverging mechanisms for S and C{sub 2}H{sub 4} adsorption allow for bimetallic surfaces such as NiRu that enhance ethylene binding without accompanying increases in sulfur binding energy. In contrast, bimetallics such as NiSn and NiW appear to decrease the affinity of the surface for both the reagent and the poison.

  7. Fe(A)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fe(A) Fe(B) O ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) (001) (010) Fe(A) layer Fe(B) layer (100) Surface R eac2vity o f I ron O xide G. S . P arkinson 1 *, Z . N ovotny 1 , P . J acobson 1 , T . M anz 2 , D . S . S holl 2 , F . N . W omack 3 , P . T . S prunger 3 a nd U . D iebold 1* 1 Ins2tute o f A pplied P hysics, V ienna U niversity o f T echnology, V ienna, A ustria 2 Georgia I ns2tute o f T echnology, A tlanta, G A 3 0332 U SA 3 Louisiana S tate U niversity, B aton R ouge, L A 7 0803 U SA

  8. Getting to Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with Road Runner for 65 + tax they will also take two passengers The Capital City Cab (Santa Fe taxi company) - 50 each way. Reservation not required Hertz car rental (LANL...

  9. Effects of Ti-Based Additives on the Hydrogen Storage Properties of aLiBH4/CaH2Destabilized System

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Hongwei; Ibikunle, Adeola; Goudy, Andrew J.

    2010-01-01

    The hydrogen storage properties of a destabilizedLiBH4/CaH2system ball-milled withTiCl3,TiF3, andTiO2additives have been investigated. It is found that the system withTiCl3additive has a lower dehydrogenation temperature than the ones with other additives. Further study shows that a higher amount ofTiCl3is more effective in reducing the desorption temperature of theLiBH4/CaH2system, since it leads to a lower activation energy of dehydrogenation. The activations energies for mixtures containing 4, 10, and 25?mol% ofTiCl3are 141, 126, and 110?kJ/mol, respectively. However, the benefits of higher amounts ofTiCl3are offset by a larger reduction in hydrogen capacity of the mixtures.

  10. Achievement of high coercivity in sintered R-Fe-B magnets based on misch-metal by dual alloy method

    SciTech Connect (OSTI)

    Niu, E Wang, Zhen-Xi; Chen, Zhi-An; Rao, Xiao-Lei; Hu, Bo-Ping; Chen, Guo-An; Zhao, Yu-Gang; Zhang, Jin

    2014-03-21

    The R-Fe-B (R, rare earth) sintered magnets prepared with different ratio of alloys of MM-Fe-B (MM, misch-metal) and Nd-Fe-B by dual alloy method were investigated. As expected, the high ratio of MM-Fe-B alloy degrades the hard magnetic properties heavily with intrinsic coercivity lower than 5 kOe. When the atomic ratio MM/R???21.5% the magnetic properties can reach a practical level of B{sub r}???12.1 kGs, H{sub cj}???10.7 kOe, and (BH){sub max}???34.0 MGOe. And the effect of H{sub cj} enhancement by the grain boundary diffusion process is obvious when MM/R???21.5%. It is revealed that the decrement of intrinsic magnetic properties of R{sub 2}Fe{sub 14}B matrix phase is not the main reason of the degradation of the magnets with high MM ratio. The change of deteriorated microstructure together with phase component plays fundamental roles in low H{sub cj}. In high MM ratio magnets, (a) after annealing, Ce atoms inside main phase are inclined to be segregated in the outer layer of the main phase grains; (b) there is no thin layer of Ce-rich phase as an analogue of Nd-rich phase to separate main phase grains; (c) excessive Ce tends to form CeFe{sub 2} grains.

  11. Electric transport through nanometric CoFe{sub 2}O{sub 4} thin films investigated by conducting atomic force microscopy

    SciTech Connect (OSTI)

    Foerster, M.; Gutierrez, D. F.; Rigato, F.; Fontcuberta, J.; Rebled, J. M.; Peiro, F.

    2012-01-01

    A systematic study of electric transport through thin (2-8 nm) CoFe{sub 2}O{sub 4} films deposited on epitaxial SrRuO{sub 3} bottom electrodes was performed by conducting atomic force microscopy (CAFM). Experimental procedures to investigate transport through thin insulating films by CAFM are critically revised, and the potential of CoFe{sub 2}O{sub 4} films for the use as spin-filtering barriers is assessed. It is concluded that, at room-temperature, a non-tunnel channel significantly contributes to the electric transport, thus limiting the spin-filtering efficiency.

  12. MgO-Supported Cluster Catalysts with Pt-Ru Interactions Prepared from Pt3Ru6(CO)21(u3-H)(u-H)3

    SciTech Connect (OSTI)

    Chotisuwan,S.; Wittapyakun, J.; Lobo-Lapidus, R.; Gates, B.

    2007-01-01

    Bimetallic MgO-supported catalysts were prepared by adsorption of Pt{sub 3}Ru{sub 6}(CO){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} on porous MgO. Characterization of the supported clusters by infrared (IR) spectroscopy showed that the adsorbed species were still in the form of metal carbonyls. The supported clusters were decarbonylated by treatment in flowing helium at 300 C, as shown by IR and extended X-ray absorption fine structure (EXAFS) data, and the resulting supported PtRu clusters were shown by EXAFS spectroscopy to have metal frames that retained Pt-Ru bonds but were slightly restructured relative to those of the precursor; the average cluster size was almost unchanged as a result of the decarbonylation. These are among the smallest reported bimetallic clusters of group-8 metals. The decarbonylated sample catalyzed ethylene hydrogenation with an activity similar to that reported previously for {gamma}-Al{sub 2}O{sub 3}-supported clusters prepared in nearly the same way and having nearly the same structure. Both samples were also active for n-butane hydrogenolysis, with the MgO-supported catalyst being more active than the {gamma}-Al{sub 2}O{sub 3}-supported catalyst.

  13. Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Os and Ir

    SciTech Connect (OSTI)

    Jia, Shuang

    2008-12-15

    It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties [Moriya, 1985]. For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

  14. CALIBRATING STELLAR VELOCITY DISPERSIONS BASED ON SPATIALLY RESOLVED H-BAND SPECTRA FOR IMPROVING THE M{sub BH}-{sigma}{sub *} RELATION

    SciTech Connect (OSTI)

    Kang, Wol-Rang; Woo, Jong-Hak; Park, Daeseong; Schulze, Andreas; Riechers, Dominik A.; Kim, Sang Chul; Smolcic, Vernesa

    2013-04-10

    To calibrate stellar velocity dispersion measurements from optical and near-IR stellar lines, and to improve the black hole mass (M{sub BH})-stellar velocity dispersion ({sigma}{sub *}) relation, we measure {sigma}{sub *} based on high-quality H-band spectra for a sample of 31 nearby galaxies, for which dynamical M{sub BH} is available in the literature. By comparing velocity dispersions measured from stellar lines in the H-band with those measured from optical stellar lines, we find no significant difference, suggesting that optical and near-IR stellar lines represent the same kinematics and that dust effect is negligible for early-type galaxies. Based on the spatially resolved rotation and velocity dispersion measurements along the major axis of each galaxy, we find that a rotating stellar disk is present for 80% of galaxies in the sample. For galaxies with a rotation component, {sigma}{sub *} measured from a single aperture spectrum can vary by up to {approx}20%, depending on the size of the adopted extraction aperture. To correct for the rotational broadening, we derive luminosity-weighted {sigma}{sub *} within the effective radius of each galaxy, providing uniformly measured velocity dispersions to improve the M{sub BH}-{sigma}{sub *} relation.

  15. Magnetic anisotropy and other studies in amorphous Tb-Fe films

    SciTech Connect (OSTI)

    Krishman, R.; Porte, M.; Tessier, M.; Vitton, J.P.; LeCars, Y.

    1988-03-01

    The authors report their investigations of magnetic properties on RF sputtered Tb/sub x/Fe/sub 1-x/ films with 13 < x 32 < at%. The samples had protective layer of Al/sub 2/O/sub 3/ about 15 nm thick. B-H and Kerr loops were studied. Torque measurements were made in the temperature range 20-300K with a maximum applied field of 12.5 kOe. The authors data as regards, M, H/sub c/, upsilon/sub k/ and K/sub u/ are in general agreement with published data. Perfect rectangular loops were obtained for 20 < x < 32. Torque curves show large rotational hysteresis. For Tb/sub 26/Fe/sub 74/, K/sub u/ increases rapidly as T is lowered and below 80K measurements are no longer possible due to lack of magnetic saturation. For Tb/sub 20/Fe/sub 80/, with a T/sub comp/ approx. = 150K, torque curves show anomaly in the neighbourhood of T/sub comp/. the results are discussed leading the the conclusion that stress effects have a dominant role to modify K/sub u/ particularly at low T. Tb moment at 4K is calculated to be 7.3 +- 0.6 ..mu../sub BETA/ assuming a Fe moment of 1.7..mu../sub BETA/.

  16. Influence of nanostructure on charge transport in RuO{sub 2} thin films

    SciTech Connect (OSTI)

    Steeves, M. M.; Lad, R. J.

    2010-07-15

    Polycrystalline thin films of RuO{sub 2} were grown on fused-quartz substrates and a parametric study was carried out to probe the influence of film nanostructure on the four-point Van der Pauw resistivity and Hall coefficient. The films were grown via reactive rf magnetron sputtering of a Ru target in an Ar/O{sub 2} plasma using deposition rates from 0.27 to 3.5 A/s and substrate temperatures from 16 to 500 deg. C Room-temperature resistivities of the RuO{sub 2} films ranged from 58 to 360 {mu}{Omega} cm. Upon first heating following deposition, some films showed decreasing resistivity with increasing temperature, but the resistivities also decreased upon subsequent cooling suggesting that the annealing treatment reduces the film defect density. The temperature coefficient of resistance was found to be small (<0.001 K{sup -1}) in agreement with previous investigations. Hall coefficient measurements of the polycrystalline thin films demonstrated that either n-type or p-type majority carriers can be present depending on deposition conditions and the resulting nanostructure, in contrast to single-crystal RuO{sub 2}, which is an n-type metal. Grain size and homogeneous strain within the films were measured by x-ray diffraction and are correlated to the majority carrier type.

  17. Behavior of the Ru-bda water oxidation catalyst covalently anchored on glassy carbon electrodes

    SciTech Connect (OSTI)

    Matheu, Roc; Francs, Laia; Chernev, Petko; Ertem, Mehmed Z.; Batista, Victor; Haumann, Michael; Sala, Xavier; Llobet, Antoni

    2015-05-07

    Electrochemical reduction of the dizaonium complex, [RuII(bda)(NO)(NN2)2]3+, 23+ (NN22+ is 4-(pyridin-4-yl) benzenediazonium and bda2 is [2,2'-bipyridine]-6,6'-dicarboxylate), in acetone produces the covalent grafting of this molecular complex onto glassy carbon (GC) electrodes. Multiple cycling voltammetric experiments on the GC electrode generates hybrid materials labeled as GC-4, with the corresponding Ru-aqua complex anchored on the graphite surface. GC-4 has been characterized at pH = 7.0 by electrochemical techniques and X-ray absorption spectroscopy (XAS) and has been shown to act as an active catalyst for the oxidation of water to dioxygen. This new hybrid material has a lower catalytic performance than its counterpart in homogeneous phase and progressively decomposes to form RuO2 at the electrode surface. The resulting metal oxide attached at the GC electrode surface, GC-RuO2, is a very fast and rugged heterogeneous water oxidation catalyst with TOFis of 300 s1 and TONs >45000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH.

  18. Behavior of the Ru-bda water oxidation catalyst covalently anchored on glassy carbon electrodes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Matheu, Roc; Francàs, Laia; Chernev, Petko; Ertem, Mehmed Z.; Batista, Victor; Haumann, Michael; Sala, Xavier; Llobet, Antoni

    2015-05-07

    Electrochemical reduction of the dizaonium complex, [RuII(bda)(NO)(N–N2)2]3+, 23+ (N–N22+ is 4-(pyridin-4-yl) benzenediazonium and bda2– is [2,2'-bipyridine]-6,6'-dicarboxylate), in acetone produces the covalent grafting of this molecular complex onto glassy carbon (GC) electrodes. Multiple cycling voltammetric experiments on the GC electrode generates hybrid materials labeled as GC-4, with the corresponding Ru-aqua complex anchored on the graphite surface. GC-4 has been characterized at pH = 7.0 by electrochemical techniques and X-ray absorption spectroscopy (XAS) and has been shown to act as an active catalyst for the oxidation of water to dioxygen. This new hybrid material has a lower catalytic performance than its counterpartmore » in homogeneous phase and progressively decomposes to form RuO2 at the electrode surface. The resulting metal oxide attached at the GC electrode surface, GC-RuO2, is a very fast and rugged heterogeneous water oxidation catalyst with TOFis of 300 s–1 and TONs >45000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH.« less

  19. Behavior of the Ru-bda water oxidation catalyst covalently anchored on glassy carbon electrodes

    SciTech Connect (OSTI)

    Matheu, Roc; Francàs, Laia; Chernev, Petko; Ertem, Mehmed Z.; Batista, Victor; Haumann, Michael; Sala, Xavier; Llobet, Antoni

    2015-05-07

    Electrochemical reduction of the dizaonium complex, [RuII(bda)(NO)(N–N2)2]3+, 23+ (N–N22+ is 4-(pyridin-4-yl) benzenediazonium and bda2– is [2,2'-bipyridine]-6,6'-dicarboxylate), in acetone produces the covalent grafting of this molecular complex onto glassy carbon (GC) electrodes. Multiple cycling voltammetric experiments on the GC electrode generates hybrid materials labeled as GC-4, with the corresponding Ru-aqua complex anchored on the graphite surface. GC-4 has been characterized at pH = 7.0 by electrochemical techniques and X-ray absorption spectroscopy (XAS) and has been shown to act as an active catalyst for the oxidation of water to dioxygen. This new hybrid material has a lower catalytic performance than its counterpart in homogeneous phase and progressively decomposes to form RuO2 at the electrode surface. The resulting metal oxide attached at the GC electrode surface, GC-RuO2, is a very fast and rugged heterogeneous water oxidation catalyst with TOFis of 300 s–1 and TONs >45000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH.

  20. Electrocatalytic Reduction of Carbon Dioxide with a Well-Defined PN 3 -Ru Pincer Complex

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Min, Shixiong; Rasul, Shahid; Li, Huaifeng; Grills, David C.; Takanabe, Kazuhiro; Li, Lain-Jong; Huang, Kuo-Wei

    2015-11-13

    We established a well-defined PN3-Ru pincer complex (5) bearing a redox-active bipyridine ligand with an aminophosphine arm as an effective and stable molecular electrocatalyst for CO2 reduction to CO and HCOOH with negligible formation of H2 in a H2O/MeCN mixture.

  1. Influence of Electron Doping on Magnetic Order in CeRu2Al10

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kobayashi, Riki; Kaneko, Koji; Saito, Kotaro; Mignot, Jean-Michel; André, Gilles; Robert, Julien; Wakimoto, Shuichi; Matsuda, Masaaki; Chi, Songxue; Haga, Yoshinori; et al

    2014-09-17

    The effect of electron doping by the substitution of Rh for Ru on unconventional magnetic order in CeRu2Al10 was investigated via neutron powder diffraction. In Ce(Ru1-xRhx)2Al10 with x = 0.05, 0.12, and 0.2, reorientation of the ordered moment from the c- to the a-axis takes place in all samples, while the ordering vector q=(0 1 0) remains unchanged within this concentration range. The moment reorientation is accompanied by an enhancement in its size by a factor of ~2.4, from μ=0.43 μB at x=0 to μ =1.06, 1.04, and 1.02 μB for x=0.05, 0.12 and 0.2, respectively. The continuous decrease inmore » N´eel temperature T0(TN), despite an abrupt increase in μ , underlines the strong anisotropy in the exchange interaction in CeRu2Al10, and the fact that this anisotropy is easily suppressed by electron doping.« less

  2. Theoretical calculations for structural, elastic, and thermodynamic properties of RuN{sub 2} under high pressure

    SciTech Connect (OSTI)

    Dong, Bing; Zhou, Xiao-Lin E-mail: lkworld@126.com; Chang, Jing; Liu, Ke E-mail: lkworld@126.com

    2014-08-07

    The structural and elastic properties of RuN{sub 2} were investigated through the first-principles calculation using generalized gradient approximation (GGA) and local density approximation (LDA) within the plane-wave pseudopotential density functional theory. The obtained equilibrium structure and mechanical properties are in excellent agreement with other theoretical results. Then we compared the elastic modulus of RuN{sub 2} with several other isomorphic noble metal nitrides. Results show that RuN{sub 2} can nearly rival with OsN{sub 2} and IrN{sub 2}, which indicate RuN{sub 2} is a potentially ultra-incompressible and hard material. By the elastic stability criteria, it is predicted that RuN{sub 2} is stable in our calculations (0–100 GPa). The calculated B/G ratios indicate that RuN{sub 2} possesses brittle nature at 0 GPa and when the pressure increases to 13.4 GPa (for LDA) or 20.8 GPa (for GGA), it begins to prone to ductility. Through the quasi-harmonic Debye model, we also investigated the thermodynamic properties of RuN{sub 2}.

  3. Biomimetic model for [FeFe]-hydrogenase: Asymmetrically disubstituted

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    diiron complex with a redox-active 2,2'-bipyridyl ligand Biomimetic model for [FeFe]-hydrogenase: Asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand Authors: Roy, S., Groy, T., Jones, A.K. Title: Biomimetic model for [FeFe]-hydrogenase: Asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand Source: Dalton Transactions Year: 2013 Volume: 42 Pages: 3843-3853 ABSTRACT: [FeFe]-hydrogenases feature a unique active site in which the

  4. Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH2BH2)nH (n=1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)

    SciTech Connect (OSTI)

    Li, Jun; Kathmann, Shawn M.; Hu, Han-Shi; Schenter, Gregory K.; Autrey, Thomas; Gutowski, Maciej S.

    2010-09-06

    The H(NH2BH2)nH oligomers are possible products from dehydrogenation of ammonia borane (NH3BH3) and ammonium borohydride (NH4BH4), which belong to a class of boron-nitrogen-hydrogen (BNHx) compounds that are promising materials for chemical hydrogen storage. Understanding the kinetics and reaction pathways of formation of these oligomers and their further dehydrogenation is essential for developing BNHx-based hydrogen storage materials. We have performed computational modeling using density functional theory (DFT), ab initio wavefunction theory, and Car-Parrinello molecular dynamics (CPMD) simulations on the energetics and formation pathways for the H(NH2BH2)nH (n=1-4) oligomers, polyaminoborane (PAB), from NH3BH3 monomers and the subsequent dehydrogenation steps to form polyiminoborane (PIB). Through transition state searches and evaluation of the intrinsic reaction coordinates, we have investigated the B-N bond cleavage, the reactions of NH3BH3 molecule with intermediates, dihydrogen release through intra- and intermolecular hydrogen transfer, dehydrocoupling/cyclization of the oligomers, and the dimerization of NH3BH3 molecules. We discovered the formation mechanism of H(NH2BH2)n+1H oligomers through reactions of the H(NH2BH2)nH oligomers first with BH3 followed by reactions with NH3 and the release of H2, where the BH3 and NH3 intermediates are formed through dissociation of NH3BH3. We also found that the dimerization of the NH3BH3 molecules to form c-(NH2BH2)2 is slightly exothermic, with an unexpected transition state that leads to the simultaneous release of two H2 molecules. The dehydrogenations of the oligomers are also exothermic, typically by less than 10 kcal/(mol of H2), with the largest exothermicity for n=3. The transition state search shows that the one-step direct dehydrocoupling cyclization of the oligomers is not a favored pathway because of high activation barriers. The dihydrogen bonding, in which protic (HN) hydrogens interact with hydridic

  5. Microsoft Word - Agcontact bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    April 2016 X-ray Study Reveals How Silver-to-Silicon Contacts Form for Solar Cells Solar energy must be one of the primary energy sources as society transitions away from a predominantly fossil fuels based economy. Currently, the overwhelming majority (>90%) of the photovoltaic (PV) market consists of silicon solar cells. While relatively inexpensive, this technology depends predominately on a screen-printed silver electrical front-contact and the formation of this contact uses a lead-based

  6. Microsoft Word - Pili bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Figure legend: Models of the Type V pilins and pilus. (Left) Schematic representations of individual mature pilins at different locations of a pilus (tip, body, and base) and their assembly via a strand- exchange mechanism. (Right) A molecular model of a segment of the type V pilus filament consisting of multiple pilins. A New Type of Pilus from the Human Microbiome Pili (or fimbriae) are hair-like structures on the cell surface of many bacteria. Pili can play a variety of functions in

  7. Microsoft Word - RRAM bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    April 2016 Figure 1. Depiction of focused x-rays used to study a crossbar tantalum oxide memristor device in-operando as it was switched between information states of 0's and 1's using voltage pulses. The resultant radial oxygen migration profile mapped using O K-edge x-rays, along with the spectral differences between the oxygen- rich and oxygen-deficient regions. Observing Oxygen Atoms Move during Information Storage in Tantalum Oxide Memristors Memristor technology, or resistive random access

  8. Microsoft Word - spintronics bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    across Borders Spintronics is a field that keeps both scientists and engineers excited from a fundamental physics and applications perspective. But what is "spintronics" exactly? ...

  9. Oblique-incidence sputtering of Ru intermediate layer for decoupling of intergranular exchange in perpendicular recording media

    SciTech Connect (OSTI)

    Saito, Shin; Inoue, Ken; Takahashi, Migaku

    2011-04-01

    During the Ru deposition process for granular type perpendicular magnetic recording media, both a reduction in the Ru intermediate layer thickness and lowering of sputtering gas pressure were successfully achieved by focusing on a self-shadowing effect. Oblique-incidence sputtering with a 60 deg. incident angle under an Ar gas pressure of 0.6 Pa yielded (1) columnar Ru grains with a growth direction of 30 deg. from the film normal, (2) c-plane sheet texture by epitaxial growth on the Pt underlayer, and (3) a flat envelope of the surface and a deep gap at grain boundaries. This change in the Ru structure significantly contributes to reducing exchange coupling among magnetic grains, especially in the initial growth region in an overlying granular medium.

  10. The nature and role of bridged carbonyl intermediates in theultrafast photo-induced rearrangement of Ru3(CO)12.

    SciTech Connect (OSTI)

    Glascoe, Elizabeth A.; Kling, Matthias F.; Shanoski, Jennifer E.; Harris, Charles B.

    2005-09-18

    The photochemistry of the trimetal cluster,Ru(3)(CO)12, was investigated on the ultrafast timescale using UV-vis pump, infrared probe spectroscopy in order to study the transient intermediates formed upon photoexcitation.

  11. Synthesis and characterization of NiFe{sub 2}O{sub 4}Pd magnetically recyclable catalyst for hydrogenation reaction

    SciTech Connect (OSTI)

    Karao?lu, E.; zel, U.; Caner, C.; Baykal, A.; Summak, M.M.; Szeri, H.

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ? Novel superparamagnetic NiFe{sub 2}O{sub 4}Pd magnetically recyclable catalyst was fabricated through co-precipitation. ? It could be reused several times without significant loss in catalytic activity for hydrogenation reaction. ? No further modification of the NiFe{sub 2}O{sub 4}Pd magnetically recyclable catalyst is necessary for utilization as catalyst. -- Abstract: Herein we report the fabrication and characterization magnetically recyclable catalysts of NiFe{sub 2}O{sub 4}Pd nanocomposite as highly effective catalysts for reduction reactions in liquid phase. The reduction Pd{sup 2+} was accomplished with polyethylene glycol 400 (PEG-400) instead of sodium borohydride (NaBH{sub 4}) and NiFe{sub 2}O{sub 4} nanoparticles was prepared by sonochemically using FeCI{sub 3}6H{sub 2}O and NiCl{sub 2}. The chemical characterization of the product was done with X-ray diffractometry, Infrared spectroscopy, transmission electron microscopy, UVVis spectroscopy, thermal gravimetry and inductively coupled plasma. Thus formed NiFe{sub 2}O{sub 4}Pd MRCs showed a very high activity in reduction reactions of 4-nitro aniline and 1,3-dinitrobenzene in liquid phase. It was found out that the catalytic activity of NiFe{sub 2}O{sub 4}Pd MRCs on the reduction of 4-nitro aniline and 1,3-dinitrobenzene in liquid phase are between 9993% and 9893%, respectively. Magnetic character of this system allowed recovery and multiple use without significant loss of its catalytic activity. It is found that NiFe{sub 2}O{sub 4}Pd MRCs showed very efficient catalytic activity and multiple usability.

  12. Sr{sub 4}Ru{sub 6}ClO{sub 18}, a new Ru{sup 4+/5+} oxy-chloride, solved by precession electron diffraction: Electric and magnetic behavior

    SciTech Connect (OSTI)

    Roussel, Pascal; Palatinus, Lukas; Belva, Frdric; Daviero-Minaud, Sylvie; Mentre, Olivier; Huve, Marielle

    2014-04-01

    The crystal structure of Sr{sub 4}Ru{sub 6}ClO{sub 18}, a new Ru{sup 4+/5+} oxo-chloride, has been determined from Precession Electron Diffraction (PED) data acquired on a nanocrystal in a transmission electron microscope using the technique of electron diffraction tomography. This approach is described in details following a pedagogic route and a systematic comparison is made of this rather new method with other experimental methods of electron diffraction, and with the standard single crystal X-ray diffraction technique. Both transport and magnetic measurements, showed a transition at low temperature that may be correlated to Ru{sup 4+}/Ru{sup 5+} charge ordering. - Graphical abstract: Structure of Sr{sub 4}Ru{sub 6}ClO{sub 18}, determined using Precession Electron Diffraction data. - Highlights: Structure of Sr{sub 4}Ru{sub 6}ClO{sub 18} was solved ab initio using precession electron diffraction. This was done both on a nanometric sample and on a micrometric one. Different type of experimental methods of electron diffraction are compared. Single crystal X-ray diffraction was used to confirm the results. Transport properties were characterized and show exotic behavior.

  13. Time-Resolved XAFS Spectroscopic Studies of B-H and N-H Oxidative Addition to Transition Metal Catalysts Relevant to Hydrogen Storage

    SciTech Connect (OSTI)

    Bitterwolf, Thomas E.

    2014-12-09

    Successful catalytic dehydrogenation of aminoborane, H3NBH3, prompted questions as to the potential role of N-H oxidative addition in the mechanisms of these processes. N-H oxidative addition reactions are rare, and in all cases appear to involve initial dative bonding to the metal by the amine lone pairs followed by transfer of a proton to the basic metal. Aminoborane and its trimethylborane derivative block this mechanism and, in principle, should permit authentic N-H oxidative attrition to occur. Extensive experimental work failed to confirm this hypothesis. In all cases either B-H complexation or oxidative addition of solvent C-H bonds dominate the chemistry.

  14. BH{sub 2} revisited: New, extensive measurements of laser-induced fluorescence transitions and ab initio calculations of near-spectroscopic accuracy

    SciTech Connect (OSTI)

    Sunahori, Fumie X.; Gharaibeh, Mohammed; Clouthier, Dennis J.; Tarroni, Riccardo

    2015-05-07

    The spectroscopy of gas phase BH{sub 2} has not been explored experimentally since the pioneering study of Herzberg and Johns in 1967. In the present work, laser-induced fluorescence (LIF) spectra of the A{sup ~} {sup 2}B{sub 1}(Π{sub u})−X{sup ~2}A{sub 1} band system of {sup 11}BH{sub 2}, {sup 10}BH{sub 2}, {sup 11}BD{sub 2}, and {sup 10}BD{sub 2} have been observed for the first time. The free radicals were “synthesized” by an electric discharge through a precursor mixture of 0.5% diborane (B{sub 2}H{sub 6} or B{sub 2}D{sub 6}) in high pressure argon at the exit of a pulsed valve. A total of 67 LIF bands have been measured and rotationally analyzed, 62 of them previously unobserved. These include transitions to a wide variety of excited state bending levels, to several stretch-bend combination levels, and to three ground state levels which gain intensity through Renner-Teller coupling to nearby excited state levels. As an aid to vibronic assignment of the spectra, very high level hybrid ab initio potential energy surfaces were built starting from the coupled cluster singles and doubles with perturbative triples (CCSD(T))/aug-cc-pV5Z level of theory for this seven-electron system. In an effort to obtain the highest possible accuracy, the potentials were corrected for core correlation, extrapolation to the complete basis set limit, electron correlation beyond CCSD(T), and diagonal Born-Oppenheimer effects. The spin-rovibronic states of the various isotopologues of BH{sub 2} were calculated for energies up to 22 000 cm{sup −1} above the X{sup ~} (000) level without any empirical adjustment of the potentials or fitting to experimental data. The agreement with the new LIF data is excellent, approaching near-spectroscopic accuracy (a few cm{sup −1}) and has allowed us to understand the complicated spin-rovibronic energy level structure even in the region of strong Renner-Teller resonances.

  15. Pulsed laser deposition and characterization of conductive RuO{sub 2} thin films

    SciTech Connect (OSTI)

    Iembo, A.; Fuso, F.; Arimondo, E.; Ciofi, C.; Pennelli, G.; Curro, G.M.; Neri, F.; Allegrini, M. |

    1997-06-01

    RuO{sub 2} thin films have been produced on silicon-based substrates by {ital in situ} pulsed laser deposition for the first time. The electrical properties, the surface characteristics, the crystalline structure, and the film-substrate interface of deposited samples have been investigated by 4-probe resistance versus temperature technique, scanning electron microscopy, x-ray photoelectron spectroscopy, x-ray diffraction, and transmission electron microscopy, respectively. The films show good electrical properties. The RuO{sub 2}-substrate interface is very thin ({approx}3 nm), since not degraded by any annealing process. These two characteristics render our films suitable to be used as electrodes in PZT-based capacitors.{copyright} {ital 1997 Materials Research Society.}

  16. Upper limit on spontaneous supercurrents in Sr2RuO4

    SciTech Connect (OSTI)

    Chung, Suk Bum

    2010-04-05

    It is widely believed that the perovskite Sr{sub 2}RuO{sub 4} is an unconventional superconductor with broken time reversal symmetry. It has been predicted that superconductors with broken time reversal symmetry should have spontaneously generated supercurrents at edges and domain walls. We have done careful imaging of the magnetic fields above Sr{sub 2}RuO{sub 4} single crystals using scanning Hall bar and SQUID microscopies, and see no evidence for such spontaneously generated supercurrents. We use the results from our magnetic imaging to place upper limits on the spontaneously generated supercurrents at edges and domain walls as a function of domain size. For a single domain, this upper limit is below the predicted signal by two orders of magnitude. We speculate on the causes and implications of the lack of large spontaneous supercurrents in this very interesting superconducting system.

  17. Correlation between microstructure and thermionic electron emission from Os-Ru thin films on dispenser cathodes

    SciTech Connect (OSTI)

    Swartzentruber, Phillip D.; John Balk, Thomas; Effgen, Michael P.

    2014-07-01

    Osmium-ruthenium films with different microstructures were deposited onto dispenser cathodes and subjected to 1000 h of close-spaced diode testing. Tailored microstructures were achieved by applying substrate biasing during deposition, and these were evaluated with scanning electron microscopy, x-ray diffraction, and energy dispersive x-ray spectroscopy before and after close-spaced diode testing. Knee temperatures determined from the close-spaced diode test data were used to evaluate cathode performance. Cathodes with a large (10-11) Os-Ru film texture possessed comparatively low knee temperatures. Furthermore, a low knee temperature correlated with a low effective work function as calculated from the close-spaced diode data. It is proposed that the formation of strong (10-11) texture is responsible for the superior performance of the cathode with a multilayered Os-Ru coating.

  18. Manipulating Magnetism: Ru-2(5+) Paddlewheels Devoid of Axial Interactions

    SciTech Connect (OSTI)

    Chiarella, Gina M [Texas A& M University; Cotton, F. A. [Texas A& M University; Murillo, Carlos A [Texas A& M University; Ventura, Karen [University of Texas at El Paso; Vilagran, Dino [University of Texas at El Paso; Wang, Xiaoping [ORNL

    2014-01-01

    Variable-temperature magnetic and structural data of two pairs of diruthenium isomers, one pair having an axial ligand and the formula Ru-2(DArF)(4)Cl (where DArF is the anion of a diarylformamidine isomer and Ar = p-anisyl or m-anisyl) and the other one being essentially identical but devoid of axial ligands and having the formula [Ru-2(DArF)(4)]BF4, show that the axial ligand has a significant effect on the electronic structure of the diruthenium unit. Variable temperature crystallographic and magnetic data as well as density functional theory calculations unequivocally demonstrate the occurrence of pi interactions between the p orbitals of the chlorine ligand and the pi* orbitals in the Ru-2(5+) units. The magnetic and structural data are consistent with the existence of combined ligand sigma/metal sigma and ligand p pi/metal-d pi interactions. Electron paramagnetic resonance data show unambiguously that the unpaired electrons are in metal-based molecular orbitals.

  19. Characteristics of conductive SrRuO{sub 3} thin films with different microstructures

    SciTech Connect (OSTI)

    Jia, Q.X.; Chu, F.; Adams, C.D.; Wu, X.D.; Hawley, M.; Cho, J.H.; Findikoglu, A.T.; Foltyn, S.R.; Smith, J.L.; Mitchell, T.E.

    1996-09-01

    Conductive SrRuO{sub 3} thin films were epitaxially grown on (100) LaAlO{sub 3} substrates by pulsed laser deposition over a temperature range from 650{degree}C to 825{degree}C. Well-textured films exhibiting a strong orientation relationship to the underlying substrate could be obtained at a deposition temperature as low as 450{degree}C. The degree of crystallinity of the films improved with increasing deposition temperature as confirmed by x-ray diffraction, transmission electron microscopy, and scanning tunneling microscopy. Scanning electron microscopy revealed no particulates on the film surface. The resistivity of the SrRuO{sub 3} thin films was found to be a strong function of the crystallinity of the film and hence the substrate temperature during film deposition. A residual resistivity ratio (RRR={rho}{sub 300K}/{rho}{sub 4.2K}) of more than 8 was obtained for the SrRuO{sub 3} thin films deposited under optimized processing conditions. {copyright} {ital 1996 Materials Research Society.}

  20. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(-H)}+

    SciTech Connect (OSTI)

    Bullock, R.M.; Fagan, P.J.; Voges, M.H.

    2010-02-22

    {l_brace}[Cp*Ru(CO){sub 2}]{sub 2}({mu}-H){r_brace}{sup +}OTf{sup -} functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H{sub 2} (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates {gamma}-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et{sub 2}C=O show that the catalyst loading can be <0.1 mol % and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +}OTf{sup -} being formed under the reaction conditions from reaction of H2 with {l_brace}[Cp*Ru(CO){sub 2}]{sub 2}({mu}-H){r_brace}{sup +}OTf{sup -}.

  1. Evaluation of the Geotech SMART24BH 20Vpp/5Vpp data acquisition system with active fortezza crypto card data signing and authentication.

    SciTech Connect (OSTI)

    Rembold, Randy Kai; Hart, Darren M.

    2009-09-01

    Sandia National Laboratories has tested and evaluated Geotech SMART24BH borehole data acquisition system with active Fortezza crypto card data signing and authentication. The test results included in this report were in response to static and tonal-dynamic input signals. Most test methodologies used were based on IEEE Standards 1057 for Digitizing Waveform Recorders and 1241 for Analog to Digital Converters; others were designed by Sandia specifically for infrasound application evaluation and for supplementary criteria not addressed in the IEEE standards. The objective of this work was to evaluate the overall technical performance of two Geotech SMART24BH digitizers with a Fortezza PCMCIA crypto card actively implementing the signing of data packets. The results of this evaluation were compared to relevant specifications provided within manufacturer's documentation notes. The tests performed were chosen to demonstrate different performance aspects of the digitizer under test. The performance aspects tested include determining noise floor, least significant bit (LSB), dynamic range, cross-talk, relative channel-to-channel timing, time-tag accuracy/statistics/drift, analog bandwidth.

  2. Surfactant-thermal method to synthesize a new Zn(II)-trimesic MOF with confined Ru(bpy){sub 3}{sup 2+} complex

    SciTech Connect (OSTI)

    Xu, Hui; Gao, Junkuo; Wang, Jiangpeng; Qian, Xuefeng; Song, Ruijing; Cui, Yuanjing; Yang, Yu; Qian, Guodong

    2015-03-15

    A surfactant-thermal method was used to prepare a new zinc-1,3,5-benzentricarboxylate-based metal-organic framework (ZJU-100) with confined Ru(bpy){sub 3}{sup 2+} (RuBpy) complex by using surfactant PEG 400 as reaction medium. The RuBpy molecules were encapsulated between the 2-D sheets in ZJU-100. ZJU-100 showed bathochromic shift in the steady-state emission spectrum and increased emission lifetimes relative to RuBpy molecules. The extended lifetime is attributed to the reduced nonradiative decay rate due to the stabilization of RuBpy within the rigid MOF framework. These results represent the first example of MOF with confined complex synthesized by surfactant, indicating that the surfactant-thermal method could offer exciting opportunities for preparing new MOFs host/guest materials with novel structures and interesting luminescent properties. - Graphical abstract: A surfactant-thermal method was used to prepare a new zinc-1,3,5-benzentricarboxylate-based metal-organic framework (ZJU-100) with confined Ru(bpy){sub 3}{sup 2+} (RuBpy) complex by using surfactant PEG 400 as reaction medium. - Highlights: • Surfactant-thermal synthesis of crystalline metal-organic framework host/guest materials. • RuBpy molecules were encapsulated between the 2-D sheets of MOFs. • Extended lifetime is observed due to the stabilization of RuBpy within the rigid MOF framework.

  3. High antiferromagnetic transition temperature of a honeycomb compound SrRu2O6

    SciTech Connect (OSTI)

    Tian, Wei; Svoboda, Chris; Ochi, M.; Matsuda, M.; Cao, Huibo; Cheng, J. -G.; Sales, B. C.; Mandrus, D.; Arita, R.; Trivedi, Nandini; Yan, Jiaqiang

    2015-09-14

    We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu2O6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu2O6 crystallizes into the hexagonal lead antimonate (PbSb2O6, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr2+ ions. SrRu2O6 is found to order at TN = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) ?B/Ru at room temperature and is along the crystallographic c axis in the G-type magnetic structure. We perform density functional calculations with constrained random-phase approximation (RPA) to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed TN .

  4. Santa Fe, NM 87506

    Office of Environmental Management (EM)

    July 31, 2014 Ms. Kimberly Davis Lebak Manager Los Alamos Field Office 3747 West Jemez Road, MS A316 Los Alamos, NM 87544 Mr. Pete Maggiore Assistant Manager for Environmental Operations 3747 West Jemez Road, MS A316 Los Alamos, NM 87544 Dear Ms. Lebak and Mr. Maggiore, I am pleased to enclose Recommendation 2014-02, unanimously approved by the Northern New Mexico Citizens' Advisory Board at its July 30 th meeting in Santa Fe. Please call Lee Bishop, DDFO or Menice Santistevan, Executive

  5. Features of the band structure and conduction mechanisms in the n-HfNiSn semiconductor heavily doped with Ru

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Horyn, A. M.

    2014-12-15

    The crystal and electronic structure and energy and kinetic properties of the n-HfNiSn semiconductor heavily doped with a Ru acceptor impurity are investigated in the temperature and Ru concentration ranges T = 80400 K and N{sub A}{sup Ru} ? 9.5 10{sup 19}?5.7 10{sup 20} cm{sup ?3} (x = 00.03), respectively. The mechanism of structural-defect generation is established, which changes the band gap and degree of compensation of the semiconductor and consists in the simultaneous concentration reduction and elimination of donor structural defects by means of the displacement of ?1% of Ni atoms from the Hf (4a) positions, the generation of acceptor structural defects upon the substitution of Ru atoms for Ni atoms in the 4c positions, and the generation of donor defects in the form of vacancies in the Sn (4b) positions. The calculated electronic structure of HfNi{sub 1?x}Ru{sub x}Sn is consistent with the experiment. The results obtained are discussed within the Shklovsky-Efros model for a heavily doped and compensated semiconductor.

  6. Observation of large magnetocaloric effect in HoRu{sub 2}Si{sub 2}

    SciTech Connect (OSTI)

    Paramanik, Tapas Das, Kalipada; Das, I.

    2014-02-28

    Detailed magnetic, magnetotransport, and magnetocaloric measurements on HoRu{sub 2}Si{sub 2} have been performed. In this Letter, we report presence of spin reorientation transition below paramagnetic to antiferromagnetic transition temperature (T{sub N} = 19 K). Large magnetic entropy change 9.1 J/kg K and large negative magnetoresistance ∼21% in a magnetic field of 5 T has been observed around T{sub N}, which is associated with field induced spin-flip metamagnetic transition.

  7. Ru{sub 2}Ge{sub 3}: Crystal growth and some properties

    SciTech Connect (OSTI)

    Borshchevsky, A.; Fleurial, J.P.

    1993-10-01

    Large samples of Ru{sub 2}Ge{sub 3} were grown from Ge-rich off-stoichiometric melts at a temperature close to 1,460 C by a vertical gradient freeze method in graphite and glassy carbon crucibles. Diffusionless transition from high temperature tetragonal structure to low temperature orthorhombic structure causes twinning and crack formation. Thermal expansion coefficients of both low and high temperature phases were measured. Some electrical transport properties in the 25--1,000 C temperature range in different crystallographic directions are also described for this high temperature semiconductor. Substantial anisotropy is observed.

  8. Coupling reactions of phenylacetylene with water, hydrogen sulfide and primary amines mediated by a Ru(II) phenylvinylidene complex

    SciTech Connect (OSTI)

    Bianchini, C.; Peruzzini, M.; Zanobini, F. [Istituto per lo Studio della Stereochimica ed Energetica dei Composti di Coordinazione, Florence (Italy)] [and others

    1995-12-31

    The Ru(II) fragment [(PNP)RuCl{sub 2}] assists the reaction of phenylacetylene with water, hydrogen sulfide and primary amines to give carbonyl, {eta}{sup 1}-benzylthioaldehyde, and isonitrile complexes, respectively [PNP = CH{sub 3}CH{sub 2}CH{sub 2}N(CH{sub 2}CH{sub 2}PPh{sub 2}){sub 2}]. In all of these processes, the reaction is initiated by the 1-alkyne to vinylidene tautomerization at the Ru(II) center, followed by attack of the H{sub 2}Z molecule (Z = O, S, NR) on the vinylidene ligand. The mechanisms which account for these transformations have been completely elucidated and several of the intermediates in these reactions have been isolated and fully characterized. The scope of these reactions in view of their potential applications in organic syntheses involving thioaldehydes and optically pure isonitriles will be briefly presented.

  9. Coupled Nd and B' spin ordering in the double perovskites Nd2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Bugaris, Dan; Yeon, Jeongho; Dela Cruz, Clarina R; Zur Loye, Hans-Conrad; Nagler, Stephen E

    2013-01-01

    We present a neutron powder diffraction study of the monoclinic double perovskite systems Nd$_2$NaB$'$O$_6$ (B$'$~$=$~Ru, Os), with magnetic atoms occupying both the A and B$'$ sites. Our measurements reveal coupled spin ordering between the Nd and B$'$ atoms with magnetic transition temperatures of 14~K for Nd$_2$NaRuO$_6$ and 16~K for Nd$_2$NaOsO$_6$. There is a Type I antiferromagnetic structure associated with the Ru and Os sublattices, with the ferromagnetic planes stacked along the c-axis and [110] direction respectively, while the Nd sublattices exhibit complex, canted antiferromagnetism with different spin arrangements in each system.

  10. Santa Fe Jets and Heavy Flavor Workshop

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Santa Fe Jets and Heavy Flavor Workshop Santa Fe Jets and Heavy Flavor Workshop WHEN: Jan 11, 2016 8:30 AM - Jan 13, 2016 5:30 PM WHERE: Inn and Spa at Loretto 211 Old Santa Fe...

  11. Multifold Seebeck increase in RuO{sub 2} films by quantum-guided lanthanide dilute alloying

    SciTech Connect (OSTI)

    Music, Denis Basse, Felix H.-U.; Schneider, Jochen M.; Han, Liang; Borca-Tasciuc, Theo; Devender; Gengler, Jamie J.; Voevodin, Andrey A.; Ramanath, Ganpati

    2014-02-03

    Ab initio predictions indicating that alloying RuO{sub 2} with La, Eu, or Lu can increase the Seebeck coefficient ? manifold due to quantum confinement effects are validated in sputter-deposited La-alloyed RuO{sub 2} films showing fourfold ? increase. Combinatorial screening reveals that ? enhancement correlates with La-induced lattice distortion, which also decreases the thermal conductivity twentyfold, conducive for high thermoelectric figures of merit. These insights should facilitate the rational design of high efficiency oxide-based thermoelectrics through quantum-guided alloying.

  12. Strain relaxation in epitaxial SrRuO{sub 3} thin films on LaAlO{sub 3} substrates

    SciTech Connect (OSTI)

    Gao, M.; Du, H.; Dai, C.; Lin, Y.; Ma, C. R.; Liu, M.; Collins, G.; Zhang, Y. M.; Chen, C. L.

    2013-09-30

    Strain relaxation behavior of epitaxial SrRuO{sub 3} thin films on (001) LaAlO{sub 3} substrates was investigated using high resolution X-ray diffraction. Lattice distortion and dislocation densities were systematically studied with samples under different growth conditions. Reciprocal space maps reveal different strain relaxation behavior in SrRuO{sub 3} thin films grown at different temperatures. Two kinds of strain relaxation mechanisms were proposed to understand the growth dynamics, including the evolution of threading dislocations and the tilt of crystalline planes.

  13. Growth of epitaxial (Sr,Ba){sub n+1}Ru{sub n}O{sub 3n+1} films

    SciTech Connect (OSTI)

    Schlom, D.G.; Knapp, S.B.; Wozniak, S. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering] [and others

    1997-12-01

    We have grown epitaxial (Sr,Ba) (n+1)Ru(n)O(3n+1) films, n = 1, 2, and infinity, by pulsed laser deposition (PLD) and controlled their orientation by choosing appropriate substrates. The growth conditions yielding phase pure films have been mapped out. Resistivity versus temperature measurements show that both a and c axis films of Sr2RuO4 are metallic, but not superconducting. The latter is probably due to the presence of low-level impurities that are difficult to avoid given the target preparation process involved in growing these films by PLD.

  14. Spin-lozenge thermodynamics and magnetic excitations in Na3RuO4

    SciTech Connect (OSTI)

    Haraldsen, Jason T; Stone, Matthew B; Lumsden, Mark D; Barnes, Ted {F E }; Jin, Rongying; Taylor, J. W.; Fernandez-Alonso, F

    2009-01-01

    We report inelastic and elastic neutron scattering, magnetic susceptibility, and heat capacity measurements of polycrystalline sodium ruthenate (Na3RuO4). Previous work suggests this material consists of isolated tetramers of S = 3/2 Ru5+ ions in a so-called lozenge configuration. Using a Heisenberg antiferromagnet Hamiltonian, we analytically determine the energy eigenstates for general spin S. From this model, the neutron scattering cross-sections for excitations associated with spin-3/2 tetramer configurations is determined. Comparison of magnetic susceptibility and inelastic neutron scattering results shows that the proposed lozenge model is not distinctly supported, but provides evidence that the system may be better described as a pair of non-interacting inequivalent dimers, i.e double dimers. However, the existence of long-range magnetic order below Tc ≈ 28 K immediately questions such a description. Although no evidence of the lozenge model is observed, future studies on single crystals may further clarify the appropriate magnetic Hamiltonian.

  15. FE Clean Energy Group | Open Energy Information

    Open Energy Info (EERE)

    FE Clean Energy Group Jump to: navigation, search Name: FE Clean Energy Group Place: Darien, Connecticut Zip: 6820 Sector: Efficiency Product: A Private Equity Fund Manager which...

  16. FE Categorical Exclusions | Department of Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    FE Categorical Exclusions FE Categorical Exclusions RSS June 4, 2014 CX-011993: Categorical Exclusion Determination Cheniere Marketing, LLC CX(s) Applied: B5.7 Date: 06042014...

  17. Influence of Electron Doping on Magnetic Order in CeRu2Al10

    SciTech Connect (OSTI)

    Kobayashi, Riki; Kaneko, Koji; Saito, Kotaro; Mignot, Jean-Michel; André, Gilles; Robert, Julien; Wakimoto, Shuichi; Matsuda, Masaaki; Chi, Songxue; Haga, Yoshinori; Matsuda, Tatsuma D.; Yamamoto, Etsuji; Nishioka, Takashi; Matsumura, Masahiro; Tanida, Hiroshi; Sera, Masafumi

    2014-09-17

    The effect of electron doping by the substitution of Rh for Ru on unconventional magnetic order in CeRu2Al10 was investigated via neutron powder diffraction. In Ce(Ru1-xRhx)2Al10 with x = 0.05, 0.12, and 0.2, reorientation of the ordered moment from the c- to the a-axis takes place in all samples, while the ordering vector q=(0 1 0) remains unchanged within this concentration range. The moment reorientation is accompanied by an enhancement in its size by a factor of ~2.4, from μ=0.43 μB at x=0 to μ =1.06, 1.04, and 1.02 μB for x=0.05, 0.12 and 0.2, respectively. The continuous decrease in N´eel temperature T0(TN), despite an abrupt increase in μ , underlines the strong anisotropy in the exchange interaction in CeRu2Al10, and the fact that this anisotropy is easily suppressed by electron doping.

  18. Chemical Effect of Dry and Wet Cleaning of the Ru Protective Layer of the Extreme ultraviolet (EUV) Lithography Reflector

    SciTech Connect (OSTI)

    Belau, Leonid; Park, Jeong Y.; Liang, Ted; Seo, Hyungtak; Somorjai, Gabor A.

    2009-04-10

    The authors report the chemical influence of cleaning of the Ru capping layer on the extreme ultraviolet (EUV) reflector surface. The cleaning of EUV reflector to remove the contamination particles has two requirements: to prevent corrosion and etching of the reflector surface and to maintain the reflectivity functionality of the reflector after the corrosive cleaning processes. Two main approaches for EUV reflector cleaning, wet chemical treatments [sulfuric acid and hydrogen peroxide mixture (SPM), ozonated water, and ozonated hydrogen peroxide] and dry cleaning (oxygen plasma and UV/ozone treatment), were tested. The changes in surface morphology and roughness were characterized using scanning electron microscopy and atomic force microscopy, while the surface etching and change of oxidation states were probed with x-ray photoelectron spectroscopy. Significant surface oxidation of the Ru capping layer was observed after oxygen plasma and UV/ozone treatment, while the oxidation is unnoticeable after SPM treatment. Based on these surface studies, the authors found that SPM treatment exhibits the minimal corrosive interactions with Ru capping layer. They address the molecular mechanism of corrosive gas and liquid-phase chemical interaction with the surface of Ru capping layer on the EUV reflector.

  19. FE Blog | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    with senior executives in the Office of Fossil Energy (FE). In this edition we talk to Paula Gant, Deputy Secretary for Oil and Gas August 17, 2015 Profiles in Leadership:...

  20. FE Blog | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    implement the change. August 5, 2014 FE's Christopher Smith spoke recently during the Africa Leaders' Visit: Energy event in Houston. During the three-day event organized by the...

  1. Photoionization of FE3+ Ions

    SciTech Connect (OSTI)

    Ovchinnikov, O.; Schlachter, F.

    2003-01-01

    Photoionization of Fe3+ ions was studied for the first time using synchrotron radiation from the Advanced Light Source (ALS) and the merged-beams technique. Fe3+ ions were successfully produced using ferrocene in an electron cyclotron resonance ion source (ECR). The measured yield of Fe4+ photoions as a function of photon energy revealed the presence of resonances that correspond to excitation of autoionizing states. These resonances are superimposed upon the photoion yield produced by direct photoionization, which is a smooth, slowly decreasing function of energy. The spectra for the photoionization of Fe3+ will be analyzed and compared with theory. The data collected will also serve to test models for the propagation of light through ionized matter.

  2. Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex

    SciTech Connect (OSTI)

    Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, J.; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni

    2015-07-30

    We introduce a new family of complexes with the general formula [Run(tda)(py)2]m+ (n = 2, m = 0, 1; n = 3, m = 1, 2+; n = 4, m = 2, 32+), with tda2– being [2,2':6',2"-terpyridine]-6,6"-dicarboxylate, including complex [RuIV(OH)(tda-κ-N3O)(py)2]+, 4H+, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 32+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), including solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Ru center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H+ can be generated potentiometrically, or voltammetrically, from 32+, and both coexist in solution. While complex 32+ is not catalytically active, the catalytic performance of complex 4H+ is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s–1 at pH 7.0 and 50,000 s–1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H+, manifesting the key functional role of the dangling carboxylate in lowering

  3. Microsoft Word - FeMoco.doc

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fig. 1. Fourier transforms calculated over the k-range 2-16 Å -1 of EXAFS data (dotted) and fits (solid) from (left) MoFe protein- bound FeMoco and (right) the NifEN-bound FeMoco precursor. The EXAFS data were obtained, respectively, by subtraction of ΔnifB MoFe protein EXAFS from wild-type MoFe protein EXAFS and ΔnifB NifEN EXAFS from NifEN EXAFS. The insets show the structure of FeMoco (left) and a structural model consistent with the XAS analysis of the NifEN-bound FeMoco precursor

  4. Understanding the Electronic Structure of 4d Metal Complexes: From Molecular Spinors to L-Edge Spectra of a di-Ru Catalyst

    SciTech Connect (OSTI)

    Alperovich, Igor; Smolentsev, Grigory; Moonshiram, Dooshaye; Jurss, Jonah W.; Concepcion, Javier J.; Meyer, Thomas J.; Soldatov, Alexander; Pushkar, Yulia

    2015-09-17

    L{sub 2,3}-edge X-ray absorption spectroscopy (XAS) has demonstrated unique capabilities for the analysis of the electronic structure of di-Ru complexes such as the blue dimer cis,cis-[Ru{sub 2}{sup III}O(H{sub 2}O){sub 2}(bpy){sub 4}]{sup 4+} water oxidation catalyst. Spectra of the blue dimer and the monomeric [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex show considerably different splitting of the Ru L{sub 2,3} absorption edge, which reflects changes in the relative energies of the Ru 4d orbitals caused by hybridization with a bridging ligand and spin-orbit coupling effects. To aid the interpretation of spectroscopic data, we developed a new approach, which computes L{sub 2,3}-edges XAS spectra as dipole transitions between molecular spinors of 4d transition metal complexes. This allows for careful inclusion of the spin-orbit coupling effects and the hybridization of the Ru 4d and ligand orbitals. The obtained theoretical Ru L{sub 2,3}-edge spectra are in close agreement with experiment. Critically, existing single-electron methods (FEFF, FDMNES) broadly used to simulate XAS could not reproduce the experimental Ru L-edge spectra for the [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex nor for the blue dimer, while charge transfer multiplet (CTM) calculations were not applicable due to the complexity and low symmetry of the blue dimer water oxidation catalyst. We demonstrated that L-edge spectroscopy is informative for analysis of bridging metal complexes. The developed computational approach enhances L-edge spectroscopy as a tool for analysis of the electronic structures of complexes, materials, catalysts, and reactive intermediates with 4d transition metals.

  5. Thickness-dependent metal-insulator transition in epitaxial SrRuO? ultrathin films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shen, Xuan; Qiu, Xiangbiao; Su, Dong; Zhou, Shengqiang; Li., Aidong; Wu, Di

    2015-01-06

    Transport characteristics of ultrathin SrRuO? films, deposited epitaxially on TiO?-terminated SrTiO? (001) single-crystal substrates, were studied as a function of film thickness. Evolution from a metallic to an insulating behavior is observed as the film thickness decreases from 20 to 4 unit cells. In films thicker than 4 unit cells, the transport behavior obeys the Drude low temperature conductivity with quantum corrections, which can be attributed to weak localization. Fitting the data with 2-dimensional localization model indicates that electron-phonon collisions are the main inelastic relaxation mechanism. In the film of 4 unit cells in thickness, the transport behavior follows variablemorerange hopping model, indicating a strongly localized state. Magnetoresistance measurements reveal a likely magnetic anisotropy with the magnetic easy axis along the out-of-plane direction.less

  6. Probing the transition state region in catalytic CO oxidation on Ru

    SciTech Connect (OSTI)

    Ostrom, H.; Oberg, H.; Xin, H.; LaRue, J.; Beye, M.; Dell'Angela, M.; Gladh, J.; Ng, M. L.; Sellberg, J. A.; Kaya, S.; Mercurio, G.; Nordlund, D.; Hantschmann, M.; Hieke, F.; Kuhn, D.; Schlotter, W. F.; Dakovski, G. L.; Turner, J. J.; Minitti, M. P.; Mitra, A.; Moeller, S. P.; Fohlisch, A.; Wolf, M.; Wurth, W.; Persson, M.; Norskov, J. K.; Abild-Pedersen, F.; Ogasawara, H.; Pettersson, L. G. M.; Nilsson, A.

    2015-02-12

    Femtosecond x-ray laser pulses are used to probe the CO oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and O on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC–O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region, which is consistent with predictions based on a quantum oscillator model.

  7. Thickness-dependent metal-insulator transition in epitaxial SrRuO3 ultrathin films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shen, Xuan; Qiu, Xiangbiao; Su, Dong; Zhou, Shengqiang; Li, Aidong; Wu, Di

    2015-01-06

    Transport characteristics of ultrathin SrRuO₃ films, deposited epitaxially on TiO₂-terminated SrTiO₃ (001) single-crystal substrates, were studied as a function of film thickness. Evolution from a metallic to an insulating behavior is observed as the film thickness decreases from 20 to 4 unit cells. In films thicker than 4 unit cells, the transport behavior obeys the Drude low temperature conductivity with quantum corrections, which can be attributed to weak localization. Fitting the data with 2-dimensional localization model indicates that electron-phonon collisions are the main inelastic relaxation mechanism. In the film of 4 unit cells in thickness, the transport behavior follows variablemore » range hopping model, indicating a strongly localized state. As a result, magnetoresistance measurements reveal a likely magnetic anisotropy with the magnetic easy axis along the out-of-plane direction.« less

  8. Synthesis and Characterization of RuO2/poly (3,4-ethylenedioxythiophene) (PEDOT) Composite Nanotubes for Supercapacitors

    SciTech Connect (OSTI)

    Liu, Ran; Duay, Jonathon; Lane, Timothy; Lee, Sang Bok

    2010-01-18

    We report the synthesis of composite RuO2/poly(3,4-ethylenedioxythiophene) (PEDOT) nanotubes with high specific capacitance and fast charging/discharging capability as well as their potential application as electrode materials for a high-energy and high-power supercapacitor. RuO2/PEDOT nanotubes were synthesized in a porous alumina membrane by a step-wise electrochemical deposition method, and their structures were characterized using electron microscopy. Cyclic voltammetry was used to qualitatively characterize the capacitive properties of the composite RuO2/PEDOT nanotubes. Their specific capacitance, energy density and power density were evaluated by galvanostatic charge/discharge cycles at various current densities. The pseudocapacitance behavior of these composite nanotubes originates from ion diffusion during the simultaneous and parallel redox processes of RuO2 and PEDOT. We show that the energy density (specific capacitance) of PEDOT nanotubes can be remarkably enhanced by electrodepositing RuO2 into their porous walls and onto their rough internal surfaces. The flexible PEDOT prevents the RuO2 from breaking and detaching from the current collector while the rigid RuO2 keeps the PEDOT nanotubes from collapsing and aggregating. The composite RuO2/PEDOT nanotube can reach a high power density of 20 kW kg-1 while maintaining 80% energy density (28 Wh kg-1) of its maximum value. This high power capability is attributed to the fast charge/discharge of nanotubular structures: hollow nanotubes allow counter-ions to readily penetrate into the composite material and access their internal surfaces, while a thin wall provides a short diffusion distance to facilitate ion transport. The high energy density originates from the RuO2, which can store high electrical/electrochemical energy intrinsically. The high specific capacitance (1217 Fg-1

  9. Low-temperature crystal and magnetic structure of α – RuCl3

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Cao, Huibo B.; Yan, Jiaqiang; Bridges, Craig A.; Lumsden, Mark D.; Mandrus, D. G.; Chakoumakos, Bryan C.; Nagler, Stephen E.; Banerjee, A.; Tennant, D. A.

    2016-04-19

    Here, single crystals of the Kitaev spin-liquid candidate α – RuCl3 have been studied to determine the low-temperature bulk properties, the structure, and the magnetic ground state. Refinements of x-ray diffraction data show that the low-temperature crystal structure is described by space group C2/m with a nearly perfect honeycomb lattice exhibiting less than 0.2% in-plane distortion. The as-grown single crystals exhibit only one sharp magnetic transition at TN = 7 K. The magnetic order below this temperature exhibits a propagation vector of k=(0,1,1/3), which coincides with a three-layer stacking of the C2/m unit cells. Magnetic transitions at higher temperatures upmore » to 14 K can be introduced by deformations of the crystal that result in regions in the crystal with a two-layer stacking sequence. The best-fit symmetry-allowed magnetic structure of the as-grown crystals shows that the spins lie in the ac plane, with a zigzag configuration in each honeycomb layer. The three-layer repeat out-of-plane structure can be refined as a 120° spiral order or a collinear structure with a spin direction of 35° away from the a axis. The collinear spin configuration yields a slightly better fit and also is physically preferred. The average ordered moment in either structure is less than 0.45(5) μB per Ru3+ ion.« less

  10. Application of Gene-Shuffling for the Rapid Generation of Novel [FeFe]-Hydrogenase Libraries

    SciTech Connect (OSTI)

    Nagy, L. E.; Meuser, J. E.; Plummer, S.; Seibert, M.; Ghirardi, M. L.; King, P. W.; Ahmann, D.; Posewitz, M. C.

    2007-01-01

    A gene-shuffling technique was identified, optimized and used to generate diverse libraries of recombinant [FeFe]-hydrogenases. Six native [FeFe]-hydrogenase genes from species of Clostridia were first cloned and separately expressed in Escherichia coli concomitantly with the assembly proteins required for [FeFe]-hydrogenase maturation. All enzymes, with the exception of C. thermocellum HydA, exhibited significant activity when expressed. Single-stranded DNA fragments from genes encoding the two most active [FeFe]-hydrogenases were used to optimize a gene-shuffling protocol and generate recombinant enzyme libraries. Random sampling demonstrates that several shuffled products are active. This represents the first successful application of gene-shuffling using hydrogenases. Moreover, we demonstrate that a single set of [FeFe]-hydrogenase maturation proteins is sufficient for the heterologous assembly of the bioinorganic active site of several native and shuffled [FeFe]-hydrogenases.

  11. Fischer-Tropsch Synthesis: Assessment of the Ripening of Cobalt Clusters and Mixing Between Co and Ru Promoter via Oxidation-Reduction-Cycles over Lower Co-Loaded Ru-Co/A12O3 Catalysts

    SciTech Connect (OSTI)

    Jacobs,G.; Sarkar, A.; Ji, Y.; Luo, M.; Dozier, A.; Davis, B.

    2008-01-01

    A 2% Ru-promoted 15% Co/Al2O3 catalyst was tested after reduction and after being subjected to oxidation-reduction cycles. The catalysts were characterized over four oxidation-reduction cycles by XANES/EXAFS, TPR, HRTEM, and EDS elemental mapping. The oxidation-reduction treatments were found to assist in sintering the metallic clusters to a larger size, and to promote mixing on at least the order of the nanoscale. The larger crystallites in closer proximity to the Ru promoter led to a more facile reduction of the cobalt crystallites. In addition, a catalyst exposed to two oxidation-reduction cycles resulted in slightly higher conversion, higher a-value product, slightly lower methane selectivity, and greater stability over a reduced freshly calcined catalyst.

  12. Microsoft Word - FeV.doc

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fe K-edge XAS spectra of the Fe(III)-azide precursor (black) and the Fe(V)-nitrido complex (red) Characterization of a Genuine S=1/2 Fe(V) Complex Núria Aliaga-Alcalde, 1 Serena DeBeer George, 2 Bernd Mienert, 1 Eckhard Bill, 1 Karl Wieghardt 1 and Frank Neese 11 1 Max Planck Institut für Bioanorganische Chemie, Mülheim an der Ruhr, Germany 2 Stanford Synchrotron Radiation Laboratory, SLAC, Stanford University, Stanford, CA High-valent Fe(IV) and Fe(V) intermediates are invoked in the

  13. Pt3Ru6 Clusters Supported on gamma-Al2O3: Synthesis from Pt3Ru6(Cu)21(u3-H)(u-H)3, Structural Characterization, and Catalysis of Ethylene Hydrogenation and n-Butane Hydrogenolysis

    SciTech Connect (OSTI)

    Chotisuwan,S.; Wittayakun, J.; Gates, B.

    2006-01-01

    The supported clusters Pt-Ru/{gamma}-Al{sub 2}O{sub 3} were prepared by adsorption of the bimetallic precursor Pt{sub 3}Ru{sub 6}(Cu){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} from CH{sub 2}Cl{sub 2} solution onto {gamma}-Al{sub 2}O{sub 3} followed by decarbonylation in He at 300 C. The resultant supported clusters were characterized by infrared (IR) and extended X-ray absorption fine structure (EXAFS) spectroscopies and as catalysts for ethylene hydrogenation and n-butane hydrogenolysis. After adsorption, the {nu}{sub CO} peaks characterizing the precursor shifted to lower wavenumbers, and some of the hydroxyl bands of the support disappeared or changed, indicating that the CO ligands of the precursor interacted with support hydroxyl groups. The EXAFS results show that the metal core of the precursor remained essentially unchanged upon adsorption, but there were distortions of the metal core indicated by changes in the metal-metal distances. After decarbonylation of the supported clusters, the EXAFS data indicated that Pt and Ru atoms interacted with support oxygen atoms and that about half of the Pt-Ru bonds were maintained, with the composition of the metal frame remaining almost unchanged. The decarbonylated supported bimetallic clusters reported here are the first having essentially the same metal core composition as that of a precursor metal carbonyl, and they appear to be the best-defined supported bimetallic clusters. The material was found to be an active catalyst for ethylene hydrogenation and n-butane hydrogenolysis under conditions mild enough to prevent substantial cluster disruption.

  14. Magnetic hardening of Ce1+xFe11–yCoyTi with ThMn12 structure by melt spinning

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, Chen; Sun, Kewei; Pinkerton, Frederick E.; Kramer, M. J.

    2015-04-15

    A recent study on the intrinsic magnetic properties of CeFe11–yCoyTi has revealed that substituting one Co for Fe retains the favorable magnetocrystalline anisotropy Ha found in the ternary Fe end member, while enhancing the Curie temperature Tc and saturation magnetization 4πMs. These findings warrant further optimization around Co substitution y = 1 to try to exploit the hard magnetic properties of these Ce-based magnets. Both Ce and Co concentrations in Ce1+xFe11–yCoyTi have been optimized in the range of x = 0 – 0.2 and y = 0 –1.5. It was found that Co substitution effectively enhances all hard magnetic properties,more »although the values are still lower than those predicted from the intrinsic magnetic properties. Specifically, Tc increases from 210 °C to 285 – 350 °C; 4πM19 (magnetization at 19 kOe) from 8.9 kG to 10.5 – 11.5 kG, remanence Br from 3.1 kG to 4.1 – 4.5 kG, and most importantly, Hci from 1.1 kOe to 1.5 kOe. As a result, the room temperature energy product (BH)max has been increased by over 100% from 0.7 MGOe in Ce1.1Fe11Ti to 1.5 MGOe in Ce1.05Fe9.75Co1.25Ti. Microscopy analysis indicates that the addition of Co refines the grain size and promotes chemical homogeneity at the microscopic scale. As a result, the beneficial effect of Co on the microstructure contributes to the improved hard magnetic properties.« less

  15. Magnetic hardening of Ce1+xFe11–yCoyTi with ThMn12 structure by melt spinning

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, Chen; Sun, Kewei; Pinkerton, Frederick E.; Kramer, M. J.

    2015-04-15

    A recent study on the intrinsic magnetic properties of CeFe11–yCoyTi has revealed that substituting one Co for Fe retains the favorable magnetocrystalline anisotropy Ha found in the ternary Fe end member, while enhancing the Curie temperature Tc and saturation magnetization 4πMs. These findings warrant further optimization around Co substitution y = 1 to try to exploit the hard magnetic properties of these Ce-based magnets. Both Ce and Co concentrations in Ce1+xFe11–yCoyTi have been optimized in the range of x = 0 – 0.2 and y = 0 –1.5. It was found that Co substitution effectively enhances all hard magnetic properties,more » although the values are still lower than those predicted from the intrinsic magnetic properties. Specifically, Tc increases from 210 °C to 285 – 350 °C; 4πM19 (magnetization at 19 kOe) from 8.9 kG to 10.5 – 11.5 kG, remanence Br from 3.1 kG to 4.1 – 4.5 kG, and most importantly, Hci from 1.1 kOe to 1.5 kOe. As a result, the room temperature energy product (BH)max has been increased by over 100% from 0.7 MGOe in Ce1.1Fe11Ti to 1.5 MGOe in Ce1.05Fe9.75Co1.25Ti. Microscopy analysis indicates that the addition of Co refines the grain size and promotes chemical homogeneity at the microscopic scale. As a result, the beneficial effect of Co on the microstructure contributes to the improved hard magnetic properties.« less

  16. Ultralow charge-transfer resistance with ultralow Pt loading for hydrogen evolution and oxidation using Ru@Pt core-shell nanocatalysts

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Jia X.; Zhang, Yu; Capuano, Christopher B.; Ayers, Katherine E.

    2015-07-15

    We evaluated the activities of well-defined Ru@Pt core-shell nanocatalysts for hydrogen evolution and oxidation reactions (HER-HOR) using hanging strips of gas diffusion electrode (GDE) in solution cells. With gas transport limitation alleviated by micro-porous channels in the GDEs, the charge transfer resistances (CTRs) at the hydrogen reversible potential were conveniently determined from linear fit of ohmic-loss-corrected polarization curves. In 1M HClO₄ at 23°C, a CTR as low as 0.04 Ω cm² was obtained with only 20 μg cm⁻² Pt and 11 μg cm⁻² Ru using the carbon-supported Ru@Pt with 1:1 Ru:Pt atomic ratio. Derived from temperature-dependent CTRs, the activation barriermore » of the Ru@Pt catalyst for the HER-HOR in acids is 0.2 eV or 19 kJ mol⁻¹. Using the Ru@Pt catalyst with total metal loadings <50 μg cm⁻² for the HER in proton-exchange-membrane water electrolyzers, we recorded uncompromised activity and durability compared to the baseline established with 3 mg cm⁻² Pt black.« less

  17. Ultralow charge-transfer resistance with ultralow Pt loading for hydrogen evolution and oxidation using Ru@Pt core-shell nanocatalysts

    SciTech Connect (OSTI)

    Wang, Jia X.; Zhang, Yu; Capuano, Christopher B.; Ayers, Katherine E.

    2015-07-15

    We evaluated the activities of well-defined Ru@Pt core-shell nanocatalysts for hydrogen evolution and oxidation reactions (HER-HOR) using hanging strips of gas diffusion electrode (GDE) in solution cells. With gas transport limitation alleviated by micro-porous channels in the GDEs, the charge transfer resistances (CTRs) at the hydrogen reversible potential were conveniently determined from linear fit of ohmic-loss-corrected polarization curves. In 1M HClO₄ at 23°C, a CTR as low as 0.04 Ω cm² was obtained with only 20 μg cm⁻² Pt and 11 μg cm⁻² Ru using the carbon-supported Ru@Pt with 1:1 Ru:Pt atomic ratio. Derived from temperature-dependent CTRs, the activation barrier of the Ru@Pt catalyst for the HER-HOR in acids is 0.2 eV or 19 kJ mol⁻¹. Using the Ru@Pt catalyst with total metal loadings <50 μg cm⁻² for the HER in proton-exchange-membrane water electrolyzers, we recorded uncompromised activity and durability compared to the baseline established with 3 mg cm⁻² Pt black.

  18. Strain-induced topological transition in SrRu2O6 and CaOs2O6

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ochi, Masayuki; Arita, Ryotaro; Trivedi, Nandini; Okamoto, Satoshi

    2016-05-24

    The topological property of SrRu$_2$O$_6$ and isostructural CaOs$_2$O$_6$ under various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For SrRu$_2$O$_6$, such a transition requires rather unrealistic tuning, where only the $c$ axis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in CaOs$_2$O$_6$, the desired topological transition does occur under uniform compressive strain. Our study paves a waymore » to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.« less

  19. Giant spontaneous Hall effect in zero-moment Mn{sub 2}Ru{sub x}Ga

    SciTech Connect (OSTI)

    Thiyagarajah, Naganivetha; Lau, Yong-Chang; Betto, Davide; Borisov, Kiril; Coey, J. M. D.; Stamenov, Plamen; Rode, Karsten

    2015-03-23

    Spin-dependent transport properties of Mn{sub 2}Ru{sub x}Ga thin-films are studied as function of the Ru concentration and the substrate-induced strain. The large spontaneous Hall angle of 7.7% twenty times bigger than in other 3d metals is a signature of its half-metallicity. The compensation temperature where the magnetization of the two inequivalent antiferromagnetically coupled Mn sublattices cancel can be tuned by varying x or the biaxial strain. This zero-moment half metal is free from demagnetizing forces and creates no stray field, effectively removing two obstacles to integrating magnetic elements in densely packed, nanometer-scale memory elements, and millimeter-wave generators.

  20. Anisotropy of electrical and magnetic transport properties of epitaxial SrRuO{sub 3} thin films

    SciTech Connect (OSTI)

    Ning, X. K.; Wang, Z. J. Zhang, Z. D.

    2015-03-07

    SrRuO{sub 3} (SRO) thin films with different thickness (2–70 nm) have been grown on (001), (110), and (111) SrTiO{sub 3} substrates. The (001)-SRO films (2–8 nm) exhibited smooth flat surfaces whereas the (110)- and (111)-SRO films featured a faceted island structure. Room temperature resistivity and residual resistivity are the lowest for the (111)-SRO films (30–70 nm). Over all thicknesses, we observed enhanced magnetization in the (111)-SRO films (∼4 μ{sub B}/Ru) compared with that for the (001)- and (110)-SRO films (∼2 μ{sub B}/Ru and ∼3 μ{sub B}/Ru, respectively), suggesting a low-spin state t{sub 2g}(3↑,1↓), high-spin state t{sub 2g}(3↑)e{sub g}(1↑), and mixed low- and high-spin states for the (001)-, (111)-, and (110)-SRO films, respectively. The dependence of resistivity on temperatures near T{sub C} follows a power law with exponent β = 0.312 and β = 0.363 for the (110)- and (111)-SRO films, respectively. These critical exponents are consistent with magnetic data with scaling law M = C (T{sub C} − T){sup β}. At low temperatures, dM/dT and dρ/dT show a linear relationship in the temperature range for the Fermi liquid. These results suggest that the intrinsic electrical and magnetic transport properties are coupled.

  1. Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41

    SciTech Connect (OSTI)

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2009-09-30

    The structure of ammonia borane (AB), NH3BH3, infused in mesoporous silica MCM-41 and its evolution over the temperature range of 80 to 300 K was investigated using the atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data in order to understand the origin of improved dehydrogenation properties of the system. Our study shows how X-ray PDF analysis can be used to elucidate the structure of light guest species loaded in mesoporous silica materials despite of its low scattering power of composed elements (N, B, and H) compared to its host (SiO2). PDF analyses of two AB-loaded compositions with weight ratio AB:MCM-41=1:1 and 3:1 provide a strong evidence that AB aggregate, previously found in AB:MCM-41?1:1 samples, is same species as neat AB. For both of them an orthorhombic to tetragonal structural phase transition occurs at 225 K on warming. On the other hand, AB residing inside meso-pores, which is found in AB:MCM-41=1:2 sample, does not undergo such phase transition. It rather stays in tetragonal phase over a wide temperature range of 110 to 240 K and starts to lose structural correlation above 240 K. This strongly suggests that nano-confinement of AB inside meso-pores stabilizes high temperature tetragonal phase at much lower temperature. These results provide important clues to two critical questions: why nan-compositions of AB leads dehydrogenation to lower temperature and why the neat AB like propoerties are recovered at high AB loading samples. This work was supported by the US Department of Energy Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  2. Oxidation and reduction under cover: Chemistry at the confined space between ultra-thin nanoporous silicates and Ru(0001)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    J. Anibal Boscoboinik; Zhong, Jian -Qiang; Kestell, John; Waluyo, Iradwikanari; Wilkins, Stuart; Mazzoli, Claudio; Barbour, Andi; Kaznatcheev, Konstantine; Shete, Meere; Tsapatsis, Michael

    2016-03-23

    The oxidation and reduction of Ru(0001) surfaces at the confined space between two-dimensional nanoporous silica frameworks and Ru(0001) have been investigated using synchrotron-based ambient pressure X-ray photoelectron spectroscopy (AP-XPS). The porous nature of the frameworks and the weak interaction between the silica and the ruthenium substrate allow oxygen and hydrogen molecules to go through the nanopores and react with the metal at the interface between the silica framework and the metal surface. In this work, three types of two-dimensional silica frameworks have been used to study their influence in the oxidation and reduction of the ruthenium surface at elevated pressuresmore » and temperatures. These frameworks are bilayer silica (0.5 nm thick), bilayer aluminosilicate (0.5 nm thick), and zeolite MFI nanosheets (3 nm thick). It is found that the silica frameworks stay essentially intact under these conditions, but they strongly affect the oxidation of ruthenium, with the 0.5 nm thick aluminosilicate bilayer completely inhibiting the oxidation. Furthermore, the latter is believed to be related to the lower chemisorbed oxygen content arising from electrostatic interactions between the negatively charged aluminosilicate framework and the Ru(0001) substrate.« less

  3. NNMCAB Board Minutes: June 2001 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the June 20, 2001 Board meeting at Hotel Santa Fe Presentation NNMCAB Waste Management Committee

  4. NNMCAB Board Minutes: November 2010 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the November 17, 2010 Board meeting at Lodge at Santa Fe Presentation LANL, Environmental Surveillance Report for 2009

  5. NNMCAB Board Minutes: September 2008 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the September 24, 2008 Board meeting at Santa Fe Community College Consideration and Action on Recommendations

  6. NNMCAB Board Minutes: July 2008 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the July 30, 2008 Board meeting at Santa Fe Community College Presentation LANL, Upcoming Consent Order Deliverables

  7. NNMCAB Board Minutes: September 2006 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the September 27, 2006 Board meeting at Santa Fe Community College Presentation LANL, Transuranic Waste Program, Lee Lucero

  8. NNMCAB Board Minutes: January 2006 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the January 25, 2006 Board meeting at Santa Fe Community College Presentation LANL, Groundwater Issues

  9. Santa Fe Jets and Heavy Flavor Workshop

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Santa Fe Jets and Heavy Flavor Workshop Santa Fe Jets and Heavy Flavor Workshop WHEN: Jan 11, 2016 8:30 AM - Jan 13, 2016 5:30 PM WHERE: Inn and Spa at Loretto 211 Old Santa Fe Trail Santa Fe, New Mexico 87501 USA CONTACT: Ivan Vitev CATEGORY: Science TYPE: Conference INTERNAL: Calendar Login Event Description This workshop will bring together senior researchers, postdoctoral fellows and talented graduate students to discuss the exciting recent developments and future directions in high energy

  10. NNMCAB Board Minutes: November 2008 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the November 19, 2008 Board meeting at Santa Fe Community College Presentation LANL, Environmental Surveillance Report

  11. Ceria nanoclusters on graphene/Ru(0001): A new model catalyst system

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Novotny, Z.; Netzer, F. P.; Dohnalek, Z.

    2016-03-22

    In this study, the growth of ceria nanoclusters on single-layer graphene on Ru(0001) has been examined, with a view towards fabricating a stable system for model catalysis studies. The surface morphology and cluster distribution as a function of oxide coverage and substrate temperature has been monitored by scanning tunneling microscopy (STM), whereas the chemical composition of the cluster deposits has been determined by Auger electron spectroscopy (AES). The ceria nanoparticles are of the CeO2(111)-type and are anchored at the intrinsic defects of the graphene surface, resulting in a variation of the cluster densities across the macroscopic sample surface. The ceriamore » clusters on graphene display a remarkable stability against reduction in ultrahigh vacuum up to 900 K, but some sintering of clusters is observed for temperatures > 450 K. The evolution of the cluster size distribution suggests that the sintering proceeds via a Smoluchowski ripening mechanism, i.e. diffusion and aggregation of entire clusters.« less

  12. Process and genes for expression and overexpression of active [FeFe] hydrogenases

    DOE Patents [OSTI]

    Seibert, Michael; King, Paul W; Ghirardi, Maria Lucia; Posewitz, Matthew C; Smolinski, Sharon L

    2014-09-16

    A process for expression of active [FeFe]-hydrogenase in a host organism that does not contain either the structural gene(s) for [FeFe]-hydrogenases and/or homologues for the maturation genes HydE, HydF and HyG, comprising: cloning the structural hydrogenase gene(s) and/or the maturation genes HydE, HydF and HydG from an organisms that contains these genes into expression plasmids; transferring the plasmids into an organism that lacks a native [FeFe]-hydrogenase or that has a disrupted [FeFe]-hydrogenase and culturing it aerobically; and inducing anaerobiosis to provide [FeFe] hydrogenase biosynthesis and H?2#191 production.

  13. High temperature-induced phase transitions in Sr{sub 2}GdRuO{sub 6} complex perovskite

    SciTech Connect (OSTI)

    Triana, C.A.; Corredor, L.T.; Landinez Tellez, D.A.; Roa-Rojas, J.

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Crystal structure, thermal expansion and phase transitions at high-temperature of Sr{sub 2}GdRuO{sub 6} perovskite has been investigated. Black-Right-Pointing-Pointer X-ray diffraction pattern at 298 K of Sr{sub 2}GdRuO{sub 6} corresponds to monoclinic perovskite-type structure with P2{sub 1}/n space group. Black-Right-Pointing-Pointer Evolution of X-ray diffraction patterns at high-temperature shows that the Sr{sub 2}GdRuO{sub 6} perovskite suffers two-phase transitions. Black-Right-Pointing-Pointer At 573 K the X-ray diffraction pattern of Sr{sub 2}GdRuO{sub 6} corresponds to monoclinic perovskite-type structure with I2/m space group. Black-Right-Pointing-Pointer At 1273 K the Sr{sub 2}GdRuO{sub 6} perovskite suffers a complete phase-transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87). -- Abstract: The crystal structure behavior of the Sr{sub 2}GdRuO{sub 6} complex perovskite at high-temperature has been investigated over a wide temperature range between 298 K {<=} T {<=} 1273 K. Measurements of X-ray diffraction at room-temperature and Rietveld analysis of the experimental patterns show that this compound crystallizes in a monoclinic perovskite-like structure, which belongs to the P2{sub 1}/n (no. 14) space group and 1:1 ordered arrangement of Ru{sup 5+} and Gd{sup 3+} cations over the six-coordinate M sites. Experimental lattice parameters were obtained to be a =5.8103(5) Angstrom-Sign , b =5.8234(1) Angstrom-Sign , c =8.2193(9) Angstrom-Sign , V = 278.11(2) Angstrom-Sign {sup 3} and angle {beta} = 90.310(5) Degree-Sign . The high-temperature analysis shows the occurrence of two-phase transitions on this material. First, at 573 K it adopts a monoclinic perovskite-type structure with I2/m (no. 12) space group with lattice parameters a = 5.8275(6) Angstrom-Sign , b = 5.8326(3) Angstrom-Sign , c = 8.2449(2) Angstrom-Sign , V = 280.31(3) Angstrom-Sign {sup 3} and angle {beta} = 90.251(3) Degree-Sign . Close

  14. Structure and Reactivity of Pt-Ru/SiO2 Catalysts for the Preferential Oxidation of CO Under Excess H2

    SciTech Connect (OSTI)

    Chin,S.; Alexeev, O.; Amiridis, J.

    2006-01-01

    SiO{sub 2}-supported Pt-Ru bimetallic catalysts subjected to two different types of pretreatment protocols (i.e., subsequent oxidation-reduction treatments at 300 C and direct reduction in H{sub 2} at 300 C) were characterized by extended X-ray absorption fine structure spectroscopy (EXAFS), scanning transmission electron microscopy (STEM), Fourier transform infrared spectroscopy (FTIR) of adsorbed CO, and catalytic activity measurements for the preferential oxidation of CO in the presence of excess H{sub 2} (PROX). The EXAFS data show that both treatments led to the formation of dispersed bimetallic structures, with an average Pt-Ru bond distance of 2.68 {angstrom}. The close proximity between Pt and Ru helped stabilize Ru in a highly dispersed form and prevented its sintering after oxidation treatments. The FTIR results indicate that the adsorption of CO was substantially weaker on bimetallic samples than on the corresponding monometallic ones. Interparticle segregation (i.e., segregation of the two metals into individual particles) was observed with the Pt-Ru/SiO{sub 2} sample exposed to direct H{sub 2} treatment; in contrast, intraparticle segregation (i.e., segregation of the two metals within the same particle), with Pt preferentially occupying more surface sites, was observed when consequent O{sub 2}/H{sub 2} treatments were used. As a result, the direct H{sub 2} treatment yielded samples with PROX activity almost identical to that of monometallic Ru catalysts, whereas the O{sub 2}/H{sub 2} treatment yielded samples with PROX activity intermediate to those of monometallic Pt and Ru catalysts.

  15. Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shao, Lin; Chen, Di; Wei, Chaochen; Martin, Michael S.; Wang, Xuemei; Park, Youngjoo; Dein, Ed; Coffey, Kevin R.; Sohn, Yongho; Sencer, Bulent H.; et al

    2014-10-01

    We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reachmore »the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.« less

  16. Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shao, Lin; Chen, Di; Wei, Chaochen; Martin, Michael S.; Wang, Xuemei; Park, Youngjoo; Dein, Ed; Coffey, Kevin R.; Sohn, Yongho; Sencer, Bulent H.; et al

    2014-10-01

    We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reachmore » the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.« less

  17. Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

    SciTech Connect (OSTI)

    Shao, Lin; Chen, Di; Wei, Chaochen; Martin, Michael S.; Wang, Xuemei; Park, Youngjoo; Dein, Ed; Coffey, Kevin R.; Sohn, Yongho; Sencer, Bulent H.; Rory Kennedy, J.

    2014-10-01

    We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reach the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.

  18. Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, J.; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni

    2015-07-30

    We introduce a new family of complexes with the general formula [Run(tda)(py)2]m+ (n = 2, m = 0, 1; n = 3, m = 1, 2+; n = 4, m = 2, 32+), with tda2– being [2,2':6',2"-terpyridine]-6,6"-dicarboxylate, including complex [RuIV(OH)(tda-κ-N3O)(py)2]+, 4H+, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 32+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), including solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Rumore » center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H+ can be generated potentiometrically, or voltammetrically, from 32+, and both coexist in solution. While complex 32+ is not catalytically active, the catalytic performance of complex 4H+ is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s–1 at pH 7.0 and 50,000 s–1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H+, manifesting the key functional role of the dangling carboxylate in lowering the activation free energies that lead to O–O bond formation.« less

  19. Isotopic tracer studies of Fischer-Tropsch Synthesis over Ru/TiO sub 2 catalysts

    SciTech Connect (OSTI)

    Krishna, K.R.

    1992-01-01

    Fischer-Tropsch synthesis is a process in which CO and H{sub 2} react to give predominantly liquid hydrocarbons. The reaction can be considered a special type of polymerization in which the monomer is produced in situ, and chain growth occurs by a sequence of independently repeated additions of the monomer to the growing chain. A investigation has been conducted to study the CO hydrogenation reaction in order to better understand catalyst deactivation and the elementary surface processes involved in chain growth. Isotopic tracers are used in conjunction with transient-response techniques in this study of Fischer-Tropsch synthesis over Ru/TiO{sub 2} catalysts. Experiments are conducted at a total pressure of 1 atmosphere, reaction temperatures of 453--498 K and D{sub 2}/CO (or H{sub 2}/CO) ratios of 2--5. Synthesis products are analyzed by gas chromatography or isotope-ratio gas chromatography-mass spectrometry. Rate constants for chain initiation, propagation and termination are evaluated under steady-state reaction conditions by using transients in isotopic composition. The activation energy for chain termination is much higher than that for propagation, accounting for the observed decrease in the chain growth parameter are also estimated. Coverages by reaction intermediates are also estimated. When small amounts of {sup 12}C-labelled ethylene are added to {sup 13}CO/H{sub 2} synthesis gas, ethylene acts as the sole chain initiator. Ethylene-derived carbon also accounts for 45% of the C{sub 1} monomer pool. 102 refs., 29 figs., 11 tabs.

  20. Isotopic tracer studies of Fischer-Tropsch Synthesis over Ru/TiO{sub 2} catalysts

    SciTech Connect (OSTI)

    Krishna, K.R.

    1992-01-01

    Fischer-Tropsch synthesis is a process in which CO and H{sub 2} react to give predominantly liquid hydrocarbons. The reaction can be considered a special type of polymerization in which the monomer is produced in situ, and chain growth occurs by a sequence of independently repeated additions of the monomer to the growing chain. A investigation has been conducted to study the CO hydrogenation reaction in order to better understand catalyst deactivation and the elementary surface processes involved in chain growth. Isotopic tracers are used in conjunction with transient-response techniques in this study of Fischer-Tropsch synthesis over Ru/TiO{sub 2} catalysts. Experiments are conducted at a total pressure of 1 atmosphere, reaction temperatures of 453--498 K and D{sub 2}/CO (or H{sub 2}/CO) ratios of 2--5. Synthesis products are analyzed by gas chromatography or isotope-ratio gas chromatography-mass spectrometry. Rate constants for chain initiation, propagation and termination are evaluated under steady-state reaction conditions by using transients in isotopic composition. The activation energy for chain termination is much higher than that for propagation, accounting for the observed decrease in the chain growth parameter are also estimated. Coverages by reaction intermediates are also estimated. When small amounts of {sup 12}C-labelled ethylene are added to {sup 13}CO/H{sub 2} synthesis gas, ethylene acts as the sole chain initiator. Ethylene-derived carbon also accounts for 45% of the C{sub 1} monomer pool. 102 refs., 29 figs., 11 tabs.

  1. Synthesis of high magnetization Fe and FeCo nanoparticles by high temperature chemical reduction

    SciTech Connect (OSTI)

    Kandapallil, B; Colborn, RE; Bonitatibus, PJ; Johnson, F

    2015-03-15

    Fe and FeCo ferromagnetic nanoparticles in the 5-10 nm size regimes featuring high magnetization were synthesized using a modified chemical reduction method. The structure and morphology of these nanoparticles were confirmed by XRD and TOM analysis. These small, monodisperse and phase pure nanoparticles exhibited magnetic saturation of 210 emu/g (Fe) and 220 emu/g (Fe+Co) for Fe and FeCo nanoparticles respectively. The magnetization was found to be dependent on the temperature at which the reducing agent was introduced. (C) 2014 Elsevier B.V. All rights reserved,

  2. Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i

    Office of Legacy Management (LM)

    Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i 7117~03.8J.cdy.4 23 September 19E M r. Andrew Wallo, III, NE-23 Division of Facility & Site Decommissioning Projects U.S. Department of Energy Germantown, Maryland 20545 Dear M r. Wallo: ELIMINATION RECOMMENDATION -- COLLEGES AND UN11 The attached elimination recommendation was prepar with your suggestion during our meeting on 22 September includes 26 colleges and universities identified.in Enc Aerospace letter subject: Status of

  3. Comparison of Two Preparation Methods on Catalytic Activity and Selectivity of Ru-Mo/HZSM5 for Methane Dehydroaromatization

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Petkovic, Lucia M.; Ginosar, Daniel M.

    2014-01-01

    Catalytic performance of Mo/HZSM5 and Ru-Mo/HZSM5 catalysts prepared by vaporization-deposition of molybdenum trioxide and impregnation with ammonium heptamolybdate was analyzed in terms of catalyst activity and selectivity, nitrogen physisorption analyses, temperature-programmed oxidation of carbonaceous residues, and temperature-programmed reduction. Vaporization-deposition rendered the catalyst more selective to ethylene and coke than the catalyst prepared by impregnation. This result was assigned to lower interaction of molybdenum carbide with the zeolite acidic sites.

  4. XMM-NEWTON OBSERVATIONS OF THE DWARF NOVA RU Peg IN QUIESCENCE: PROBE OF THE BOUNDARY LAYER

    SciTech Connect (OSTI)

    Balman, Soelen; Godon, Patrick; Sion, Edward M.; Ness, Jan-Uwe; Schlegel, Eric; Barrett, Paul E.; Szkody, Paula E-mail: patrick.godon@villanova.edu E-mail: juness@sciops.esa.int E-mail: barrett.paul@usno.navy.mil

    2011-11-10

    We present an analysis of X-ray and UV data obtained with the XMM-Newton Observatory of the long-period dwarf nova RU Peg. RU Peg contains a massive white dwarf (WD), possibly the hottest WD in a dwarf nova (DN), it has a low inclination, thus optimally exposing its X-ray emitting boundary layer (BL), and has an excellent trigonometric parallax distance. We modeled the X-ray data using XSPEC assuming a multi-temperature plasma emission model built from the MEKAL code (i.e., CEVMKL). We obtained a maximum temperature of 31.7 keV, based on the European Photon Imaging Camera MOS1, 2 and pn data, indicating that RU Peg has an X-ray spectrum harder than most DNe, except U Gem. This result is consistent with and indirectly confirms the large mass of the WD in RU Peg. The X-ray luminosity we computed corresponds to a BL luminosity for a mass accretion rate of 2 Multiplication-Sign 10{sup -11} M{sub sun} yr{sup -1} (assuming M{sub wd} = 1.3 M{sub sun}), in agreement with the expected quiescent accretion rate. The modeling of the O VIII emission line at 19 A as observed by the Reflection Grating Spectrometer implies a projected stellar rotational velocity v{sub rot}sin i = 695 km s{sup -1}, i.e., the line is emitted from material rotating at {approx}936-1245 km s{sup -1} (i {approx} 34 Degree-Sign -48 Degree-Sign) or about 1/6 of the Keplerian speed; this velocity is much larger than the rotation speed of the WD inferred from the Far Ultraviolet Spectroscopic Explorer spectrum. Cross-correletion analysis yielded an undelayed (time lag {approx} 0) component and a delayed component of 116 {+-} 17 s where the X-ray variations/fluctuations lagged the UV variations. This indicates that the UV fluctuations in the inner disk are propagated into the X-ray emitting region in about 116 s. The undelayed component may be related to irradiation effects.

  5. Fe-based long range ordered alloys

    DOE Patents [OSTI]

    Liu, Chain T; Inouye, Henry; Schaffhauser, Anthony C.

    1980-01-01

    Malleable long range ordered alloys having high critical ordering temperatures exist in the V(Co,Fe).sub.3 and V(Co,Fe,Ni).sub.3 system having the composition comprising by weight 22-23% V, 35-50% Fe, 0-22% Co and 19-40% Ni with an electron density no greater than 8.00. Excellent high temperature properties occur in alloys having compositions comprising by weight 22-23% V, 35-45% Fe, 0-10% Co, 25-35% Ni; 22-23% V, 28-33% Ni and the remainder Fe; and 22-23% V, 19-22% Ni, 19-22% Co and the remainder Fe. The alloys are fabricable by casting, deforming and annealing for sufficient time to provide ordered structure.

  6. Fe-based long range ordered alloys

    DOE Patents [OSTI]

    Liu, C.T.

    Malleable long range ordered alloys with high critical ordering temperatures exist in the V(Co,Fe)/sub 3/ and V(Co,Fe,Ni)/sub 3/ system. The composition comprising by weight 22 to 23% V, 35 to 50% Fe, 0 to 22% Co and 19 to 40% Ni with an electron density no greater than 8.00. Excellent high temperature properties occur in alloys having compositions comprising by weight 22 to 23% V, 35 to 45% Fe, 0 to 10% Co, 25 to 35% Ni; 22 to 23% V, 28 to 33% Ni and the remainder Fe; and 22 to 23% V, 19 to 22% Co and the remainder Fe. The alloys are fabricable by casting, deforming and annealing for sufficient time to provide ordered structure.

  7. Self-calibration of a W/Re thermocouple using a miniature Ru-C (1954 °C) eutectic cell

    SciTech Connect (OSTI)

    Ongrai, O.; Pearce, J. V.; Machin, G.; Sweeney, S. J.

    2013-09-11

    Previous successful investigations of miniature cobalt-carbon (Co-C, 1324 °C) and palladium-carbon (Pd-C, 1492 °C) high temperature fixed-point cells for thermocouple self-calibration have been reported [1-2]. In the present work, we describe a series of measurements of a miniature ruthenium-carbon (Ru-C) eutectic cell (melting point 1954 °C) to evaluate the repeatability and stability of a W/Re thermocouple (type C) by means of in-situ calibration. A miniature Ru-C eutectic fixed-point cell with outside diameter 14 mm and length 30 mm was fabricated to be used as a self-calibrating device. The performance of the miniature Ru-C cell and the type C thermocouple is presented, including characterization of the stability, repeatability, thermal environment influence, ITS-90 temperature realization and measurement uncertainty.

  8. Exotic magnetism on the quasi-FCC lattices of the d3 double perovskites La2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Baker, Peter J.; Bugaris, Dan; Yeon, Jeongho; Zur Loye, Hans-Conrad; Guidi, T.; Adroja, D. T.

    2014-01-01

    We find evidence for long-range and short-range ($\\zeta$~$=$~70~\\AA~at 4~K) incommensurate magnetic order on the quasi-face-centered-cubic (FCC) lattices of the monoclinic double perovskites La$_2$NaRuO$_6$ and La$_2$NaOsO$_6$ respectively. Incommensurate magnetic order on the FCC lattice has not been predicted by mean field theory, but may arise via a delicate balance of inequivalent nearest neighbour and next nearest neighbour exchange interactions. In the Ru system with long-range order, inelastic neutron scattering also reveals a spin gap $\\Delta$~$\\sim$~2.75~meV. Magnetic anisotropy is generally minimized in the more familiar octahedrally-coordinated $3d^3$ systems, so the large gap observed for La$_2$NaRuO$_6$ may result from the significantly enhanced value of spin-orbit coupling in this $4d^3$ material.

  9. Spontaneous orientation-tuning driven by the strain variation in self-assembled ZnO-SrRuO{sub 3} heteroepitaxy

    SciTech Connect (OSTI)

    Zhu, Yuanmin; Liu, Ruirui; Zhan, Qian; Chang, Wei Sea; Yu, Rong; Wei, Tzu-Chiao; He, Jr-Hau; Chu, Ying-Hao

    2015-11-09

    Heteroepitaxial ZnO and SrRuO{sub 3} were grown on SrTiO{sub 3} (111) substrates and formed a self-assembled wurtzite-perovskite nanostructure. Spontaneous orientation-tuning of the SrRuO{sub 3} pillars was observed, with the growth direction changing from [111]{sub SRO} to [011]{sub SRO} as the film thickness increased, which is attributed to a misfit strain transition from the biaxial strain imposed by the SrTiO{sub 3} substrate to the vertical strain provided by the ZnO matrix. The [011]-SrRuO{sub 3} and [0001]-ZnO combination presents a favorable matching in the nanocomposite films, resulting in higher charge carrier mobility. This vertically integrated configuration and regulation on the crystallographic orientations are expected to be employed in designing multi-functional nanocomposite systems for applications in electronic devices.

  10. Epitaxial YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}/Sr{sub 2}RuO{sub 4} heterostructures

    SciTech Connect (OSTI)

    Schlom, D.G.; Merritt, B.A.; Madhavan, S. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering] [and others

    1997-09-01

    The anisotropic oxide superconductors YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} and Sr{sub 2}RuO{sub 4} have been epitaxially combined in various ways (c-axis on c-axis, c-axis on a-axis, and a-axis on a-axis) though the use of appropriate substrates. Phase-pure a-axis oriented or c-axis oriented epitaxial Sr{sub 2}RuO{sub 4} films were grown by pulsed laser deposition. YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} films were then grown on both orientations of Sr{sub 2}RuO{sub 4} films and the resulting epitaxy was characterized.

  11. FE Blog | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Blog FE Blog RSS August 3, 2016 NETL researcher Kelly Rose, co-developer of one of the four NETL technologies chosen as finalists for the 2016 R&D 100 Awards Game-Changing NETL Technologies Named Finalists for Prestigious R&D 100 Awards Four technologies developed by researchers at the National Energy Technology Laboratory (NETL) have been named finalists for this year's R&D 100 Awards. The selected technologies reflect the laboratory's focus on science and technology innovations

  12. Santa Fe Community College selects new president

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Santa Fe Community College Selects New President Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: September 1, 2016 all issues All Issues » submit Santa Fe Community College selects new president Santa Fe Community College's new president will be Dr. Ana Margarita "Cha" Guzmán. August 1, 2012 dummy image Read our archives Contacts Editor Linda Anderman Email Community Programs Office Kurt Steinhaus Email Beginning September

  13. FE - Fossil Energy - Energy Conservation Plan

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Enclosure (1) Office of Fossil Energy Energy Conservation Plan The Office of Fossil Energy (FE) strongly supports the implementation of strategies to reduce energy consumption in the Headquarters buildings. FE engaged its employees by sending an office-wide email soliciting input for this plan; the ideas were then compiled into this document. The focus of this plan is on how FE employees can change their behavior to reduce energy consumption. This plan purposefully excludes measures that would

  14. High-pressure viscosity of liquid Fe and FeS revisited by falling...

    Office of Scientific and Technical Information (OSTI)

    High-pressure viscosity of liquid Fe and FeS revisited by falling sphere viscometry using ultrafast X-ray imaging Citation Details In-Document Search This content will become ...

  15. Equations of state in the Fe-FeSi system at high pressures and...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Equations of state in the Fe-FeSi system ... Country of Publication: United States Language: ENGLISH Word Cloud More Like This Full ...

  16. NNMCAB Board Minutes: January 2008 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the January 30, 2008 Board meeting at Santa Fe Community College Presentation DOE, Quarterly Progress Review and Budget Update on Environmental Programs at LANL, David Gregory

  17. NNMCAB Board Minutes: September 2005 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the September 28, 2005 Board meeting at Santa Fe Community College Presentation Risk Assessment Corporation, Risk Assessments, Helen Grogan Consideration and Action on Recommendations

  18. NNMCAB Board Minutes: September 2007 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the September 19, 2007 Board meeting at Santa Fe Community College Presentation DOE, Quarterly Performance Reports on Environmental Programs, George Rael

  19. NNMCAB Board Minutes: March 2008 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the March 26, 2008 Board meeting at Santa Fe Community College Presentations LANL, How Does LANL Conduce Risk Assessment, Rich Mirenda

  20. NNMCAB Board Minutes: November 2007 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the November 28, 2007 Board meeting at Santa Fe Community College Presentation LANL, LANL Responses to 17 National Academies of Sciences Recommendations Regarding Groundwater Monitoring, Huber

  1. fe0024271-utaustin | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fracture Diagnostics Using Low Frequency Electromagnetic Induction and Electrically Conductive Proppants Last Reviewed 12415 DE-FE0024271 Goal The project goal is to develop a...

  2. NNMCAB Board Minutes: January 2014 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the January 29, 2014 Board meeting at Lodge at Santa Fe Presentation DOE/LANL, Material Disposal Area G, Pete Maggiore, Jeff Mousseau

  3. NNMCAB Board Minutes: July 2006 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the July 26, 2006 Board meeting at Santa Fe Community College Consideration and Action on Recommendation 2006-05 and 2006-07

  4. NNMCAB Board Agenda: December 2014 Santa Fe

    Broader source: Energy.gov [DOE]

    Agenda for the December 10, 2014 Special Board meeting at Lodge at Santa Fe Presentation DOE, Transition EM Legacy Clean-up at Los Alamos, Jack Craig

  5. FE0001175_PTTC | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Department of Energy FE-Supported Research Looks to Coal as a Source for Rare Earth Elements FE-Supported Research Looks to Coal as a Source for Rare Earth Elements June 16, 2016 - 8:34am Addthis FE-Supported Research Looks to Coal as a Source for Rare Earth Elements The Energy Department's Office of Fossil Energy (FE) has a robust clean energy research and development (R&D) program dedicated to making coal both cleaner and more sustainable. You may have heard about some of the

  6. Microsoft Word - Fe-S_Clusters

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    April 2010 Figure 1. Top: overall ribbon and surface representation of the x-ray crystal structure of [FeFe]-hydrogenase HydA ΔEFG . Loop regions important for the cluster insertion process are colored green. Bottom: Ball and stick representation of the active site of HydA ΔEFG at which a [4Fe-4S] cluster is present. Coloring scheme: rust, iron; orange, sulfur; gray, carbon; red, oxygen; blue, nitrogen. Assembly and Evolution of Complex Fe-S Clusters as Revealed by X-ray Crystallography

  7. NNMCAB Board Minutes: May 2013 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the May 22, 2013 Board meeting at The Lodge at Santa Fe Presentation LANL, Update on Chromium Filed Work, Dave McInroy, Danny Katzman

  8. Fe-V redox flow batteries

    DOE Patents [OSTI]

    Li, Liyu; Kim, Soowhan; Yang, Zhenguo; Wang, Wei; Zhang, Jianlu; Chen, Baowei; Nie, Zimin; Xia, Guanguang

    2014-07-08

    A redox flow battery having a supporting solution that includes Cl.sup.- anions is characterized by an anolyte having V.sup.2+ and V.sup.3+ in the supporting solution, a catholyte having Fe.sup.2+ and Fe.sup.3+ in the supporting solution, and a membrane separating the anolyte and the catholyte. The anolyte and catholyte can have V cations and Fe cations, respectively, or the anolyte and catholyte can each contain both V and Fe cations in a mixture. Furthermore, the supporting solution can contain a mixture of SO.sub.4.sup.2- and Cl.sup.- anions.

  9. International science conferences in Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    International science conferences International science conferences in Santa Fe The conference are 2012 International Conference on Defects in Insulating Materials and Computer ...

  10. Quasi-elastic region of the /sup 56/Fe + /sup 56/Fe and /sup 56/Fe + /sup 238/U reactions

    SciTech Connect (OSTI)

    Weston-Dawkes, A.P.

    1986-01-01

    Projectile-like fragments (PLF's) were detected for the 15-MeV/uFe + Fe and Fe + U reactions. The mass, charge and energy of the PLF's were recorded. For the Fe + Fe reaction light-charged particles were also recorded in coincidence with PLF's. Products with kinetic energies corresponding to the first 100 MeV of energy loss were studied in detail for a variety of questions that remain concerning the quasi-elastic region. PLF energy spectra clearly show the presence of structures. These structures can be classified as either narrow or broad in kinetic energy width. By use of evaporation calculations, it was shown that broad structures were due to normal evaporation processes. Narrow structures with widths of 8 to 10 MeV could not be duplicated by evaporation calculations and their origin is still unexplained.

  11. InP:Fe Photoconducting device

    DOE Patents [OSTI]

    Hammond, Robert B.; Paulter, Nicholas G.; Wagner, Ronald S.

    1984-01-01

    A photoconducting device fabricated from Fe-doped, semi-insulating InP crystals exhibits an exponential decay transient with decay time inversely related to Fe concentration. Photoconductive gain as high as 5 is demonstrated in photoconducting devices with AuGe and AuSn contacts. Response times from 150 to 1000 picoseconds can be achieved.

  12. InP:Fe photoconducting device

    DOE Patents [OSTI]

    Hammond, R.B.; Paulter, N.G.; Wagner, R.S.

    A photoconducting device fabricated from Fe-doped, semi-insulating InP crystals exhibits an exponential decay transient with decay time inversely related to Fe concentration. Photoconductive gain as high as 5 is demonstrated in photoconducting devices with AuGe and AuSn contacts. Response times from 150 to 1000 picoseconds can be achieved.

  13. FE FY 2016 BUDGET REQUEST PRESENTATION | Department of Energy

    Energy Savers [EERE]

    PRESENTATION FE FY 2016 BUDGET REQUEST PRESENTATION FY16budgetrollout 2-2-15.pdf (967.91 KB) More Documents & Publications FE FY 2015 Budget Request Presentation FE FY 2017

  14. FE FY 2015 Budget Request Presentation | Department of Energy

    Energy Savers [EERE]

    5 Budget Request Presentation FE FY 2015 Budget Request Presentation fy15budgetrollout.pptx (4.07 MB) More Documents & Publications FE FY 2017 BUDGET REQUEST PRESENTATION FE FY ...

  15. A Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A series of mesoporous metalloporphyrin Fe-MOFs, namely PCN-600(M) (M Mn, Fe, Co, Ni, Cu), have been synthesized using the preassembled Fe3O(OOCCH3)6 building block....

  16. Controlled Anisotropic Growth of Co-Fe-P from Co-Fe-O Nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mendoza-Garcia, Adriana; Zhu, Huiyuan; Yu, Yongsheng; Li, Qing; Zhou, Lin; Su, Dong; Kramer, Matthew J.; Sun, Shouheng

    2015-06-26

    Presented here is a facile approach to bimetallic phosphides, Co-Fe-P, via high-temperature (300°C) reaction between Co-Fe-O nanoparticles and trioctylphosphine. The growth of Co-Fe-P from the Co-Fe-O is anisotropic. As a result, Co-Fe-P nanorods (from the polyhedral Co-Fe-O nanoparticles) and sea-urchin-like Co-Fe-P (from the cubic Co-Fe-O nanoparticles) are synthesized with both nanorod and the sea-urchin-arm dimensions controlled by Co/Fe ratios. The Co-Fe-P structure, especially the sea-urchin-like (Co0.54Fe0.46)2P, shows enhanced catalysis for oxygen evolution reaction in KOH with its catalytic efficiency surpassing Ir catalyst. Our synthesis is simple and may be readily extended to the preparation of other multimetallic phosphides for importantmore » catalysis and energy storage applications.« less

  17. Controlled Anisotropic Growth of Co-Fe-P from Co-Fe-O Nanoparticles

    SciTech Connect (OSTI)

    Mendoza-Garcia, Adriana; Zhu, Huiyuan; Yu, Yongsheng; Li, Qing; Zhou, Lin; Su, Dong; Kramer, Matthew J.; Sun, Shouheng

    2015-06-26

    Presented here is a facile approach to bimetallic phosphides, Co-Fe-P, via high-temperature (300C) reaction between Co-Fe-O nanoparticles and trioctylphosphine. The growth of Co-Fe-P from the Co-Fe-O is anisotropic. As a result, Co-Fe-P nanorods (from the polyhedral Co-Fe-O nanoparticles) and sea-urchin-like Co-Fe-P (from the cubic Co-Fe-O nanoparticles) are synthesized with both nanorod and the sea-urchin-arm dimensions controlled by Co/Fe ratios. The Co-Fe-P structure, especially the sea-urchin-like (Co0.54Fe0.46)2P, shows enhanced catalysis for oxygen evolution reaction in KOH with its catalytic efficiency surpassing Ir catalyst. Our synthesis is simple and may be readily extended to the preparation of other multimetallic phosphides for important catalysis and energy storage applications.

  18. Low-temperature growth and orientational control in RuO{sub 2} thin films by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Bai, G.R.; Wang, A.; Foster, C.M.; Vetrone, J.; Patel, J.; Wu, X.

    1996-08-01

    For growth temperatures in the range of 275 C to 425 C, highly conductive RuO{sub 2} thin films with either (110)- or (101)-textured orientations have been grown by metal-organic chemical vapor deposition (MOCVD) on both SiO{sub 2}/Si(001) and Pt/Ti/SiO{sub 2}/Si(001) substrates. Both the growth temperature and growth rate were used to control the type and degree of orientational texture of the RuO{sub 2} films. In the upper part of this growth temperature range ({approximately} 350 C) and at a low growth rate (< 30 {angstrom}/min.), the RuO{sub 2} films favored a (110)-textured. In contrast, at the lower part of this growth temperature range ({approximately} 300 C) and at a high growth rate (> 30 {angstrom}/min.), the RuO{sub 2} films favored a (101)-textured. In contrast, a higher growth temperatures (> 425 C) always produced randomly-oriented polycrystalline films. For either of these low-temperature growth processes, the films produced were crack-free, well-adhered to the substrates, and had smooth, specular surfaces. Atomic force microscopy showed that the films had a dense microstructure with an average grain size of 50--80 nm and a rms. surface roughness of {approximately} 3--10 nm. Four-probe electrical transport measurements showed that the films were highly conductive with resistivities of 34--40 {micro}{Omega}-cm ({at} 25 C).

  19. A Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs...

    Office of Scientific and Technical Information (OSTI)

    A Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs Citation Details In-Document Search Title: A Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs Authors: ...

  20. Isolation and microbial reduction of Fe(III) phyllosilicates...

    Office of Scientific and Technical Information (OSTI)

    Isolation and microbial reduction of Fe(III) phyllosilicates from subsurface sediments Citation Details In-Document Search Title: Isolation and microbial reduction of Fe(III) ...

  1. SEMI-ANNUAL REPORTS -- WENTWORTH GAS MARKETING LLC - FTA - FE...

    Broader source: Energy.gov (indexed) [DOE]

    - TEXAS LNG BROWNSVILLE LLC - FE DKT. 15-62-LNG - Order 3716 FTA Wentworth Gas Martketing LLC - FE Dkt. No. 14-63-CNG

  2. SF 6432-FE Fixed Price Contracts Outside the US

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    SANDIA CORPORATION SF 6432-FE (112015) SECTION II STANDARD TERMS AND CONDITIONS FOR FIXED ... FOR HIRE Control : SF 6432-FE Title: Standard Terms & Conditions for Fixed Price ...

  3. NNMCAB Board Minutes: September 2009 Santa Fe | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    - September 30, 2009 More Documents & Publications NNMCAB Board Minutes: May 2009 Santa Fe NNMCAB Board Minutes: January 2009 Santa Fe NNMCAB Board Minutes: March 2009 Santa...

  4. Anisotropic hot deformed magnets prepared from Zn-coated MRE-Fe-B ribbon powder (MRE?=?Nd?+?Y?+?Dy)

    SciTech Connect (OSTI)

    Tang, W; Zhou, L; Sun, K W; Dennis, K W; Kramer, M J; Anderson, I E; McCallum, R W

    2014-05-07

    Milled melt-spun ribbon flake of MRE-Fe-B coated with Zn coating using a vapor transport technique was found to have significant increase in coercivity without degrading the magnetization when the Zn thickness and heat treatment were optimized. Magnetic measurements show that 0.51?wt.?% Zn coating increases the coercivity about 1?kOe over the initial ribbon powder. After vacuum hot deformation (VHD), the VHD magnet with Zn coating of 0.5?wt.?% results in a nearly 3?kOe higher coercivity than an un-coated alloy magnet. An optimized VHD magnet with 0.5?wt.?% Zn coating obtains a coercivity of 11.2?kOe and (BH)max of 23.0 MGOe, respectively. SEM and TEM microstructures analysis demonstrates that the Zn coating on the surface of ribbon powder has diffused along the intergranular boundaries after the ribbon powder was annealed at 750?C for 30?min or was hot deformed at 700750?C.

  5. FE0023592 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    FE0023592 Breakthrough Hybrid CTL Process Integrating Advanced Technologies for Coal Gasification, NG Partial Oxidation, Warm Syngas Cleanup and Syngas-to-Jet Email Page email Print This Page print Performer: Research Triangle Institute fe0023592-image.jpg Block Flow Diagram of Hybrid Integrated CTL Process Website: Research Triangle Institute Award Number: FE0023592 Project Duration: 10/01/2014 - 03/31/2017 Total Award Value: $5,500,000.00 DOD Share: $3,981,705.00 DOE Share: $418,295.00

  6. Thickness-dependent metal-insulator transition in epitaxial SrRuO3 ultrathin films

    SciTech Connect (OSTI)

    Shen, Xuan; Qiu, Xiangbiao; Su, Dong; Zhou, Shengqiang; Li, Aidong; Wu, Di

    2015-01-06

    Transport characteristics of ultrathin SrRuO? films, deposited epitaxially on TiO?-terminated SrTiO? (001) single-crystal substrates, were studied as a function of film thickness. Evolution from a metallic to an insulating behavior is observed as the film thickness decreases from 20 to 4 unit cells. In films thicker than 4 unit cells, the transport behavior obeys the Drude low temperature conductivity with quantum corrections, which can be attributed to weak localization. Fitting the data with 2-dimensional localization model indicates that electron-phonon collisions are the main inelastic relaxation mechanism. In the film of 4 unit cells in thickness, the transport behavior follows variable range hopping model, indicating a strongly localized state. As a result, magnetoresistance measurements reveal a likely magnetic anisotropy with the magnetic easy axis along the out-of-plane direction.

  7. Analysis of the electrochemical characteristics of a direct methanol fuel cell based on a Pt-Ru/C anode catalyst

    SciTech Connect (OSTI)

    Arico, A.S.; Creti, P.; Mantegna, R.

    1996-12-31

    This paper deals with a vapour-feed direct methanol fuel cell (DMFC) based on a Nafion 117{reg_sign} solid polymer electrolyte. Pt-Ru/C and Pt/C catalysts were employed for methanol oxidation and oxygen reduction, respectively. Structure and surface chemistry of catalysts were investigated by X-ray powder diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Membrane/electrode assembly (M&E) was prepared by using a {open_quotes}paste process{close_quotes} method. Electrical power densities of about 150 mW cm{sup -2} were obtained at 95{degrees} C with Pt loadings of 0.8 and 0.5 mg cm{sup -2} at anode and cathode respectively.

  8. NNMCAB Board Agenda: January 2014 Santa Fe

    Broader source: Energy.gov [DOE]

    Agenda for the January 29, 2014 Board meeting at Lodge at Santa Fe Presentation DOE.LANL, MDA-G Post TRU Waste Retrieval Proposed Remedy; A Path to Long Term Stewardship, Pete Maggiore, Jeff Mousseau

  9. NNMCAB Board Minutes: March 2005 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the March 30, 2005 Board meeting at Santa Fe Community College Consideration and Action on Recommendation 2005-03 Consideration and Action on Recommendation 2005-04

  10. NNMCAB Board Minutes: December 2014 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the December 10, 2014 Special Board meeting at Lodge at Santa Fe Presentation DOE HQ, Transition of Environmental Management Clean-up at LANL, Jack Craig Presentation RCLC, Perspectives from the Regional Coalition of LANL Communities, Darien Cabral

  11. NNMCAB Board Minutes: July 2005 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the July 27, 2005 Board meeting at Santa Fe Community College Presentation LANL, Public Health Assessment for Los Alamos National Laboratory, Michael Brooks Presentation LANL, Well Drilling Techniques, Groundwater Program

  12. NNMCAB Board Minutes: March 2010 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the March 31, 2010 Board meeting at Lodge at Santa Fe Presentation DOE/LANL Los Alamos National Security Reorganization, George Rael, Michael Graham Presentation DOE, Inventory of Waste at Area G, George Henkel

  13. fe0024311-ttu | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Maximize Liquid Oil Production from Shale Oil and Gas Condensate Reservoirs by Cyclic Gas Injection Last Reviewed 5202016 DE-FE0024311 Goal The project goal is to evaluate the ...

  14. FE0023592 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    FE0023592 Project Duration: 10012014 - 03312017 Total Award Value: 5,500,000.00 DOD Share: 3,981,705.00 DOE Share: 418,295.00 Performer Share: 1,100,000.00 Technology ...

  15. fe0001547 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    1547 Recovery Act: CO2 Capture From Biofuels Production and Sequestration into the Mt. Simon Sandstone Reservoir Email Page email Print This Page print Performer: Archer Daniels Midland Corporation (ADM) fe0001547 ADM's Agricultural Processing and Biofuels Plant, Decatur, IL. Website: Archer Daniels Midland Corporation (ADM) Award Number: FE0001547 Project Duration: 11/16/2009 - 09/30/2017 Total Award Value: $207,942,199.00 DOE Share: $141,405,945.00 Performer Share: $66,536,254.00 Technology

  16. fe0024360-paulsson | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    fe0024360-paulsson Injection and Tracking of Micro-seismic emitters to Optimize Unconventional Oil and Gas (UOG) Development Last Reviewed 6/14/2016 DE-FE0024360 Goal The project goal is to develop fracture and fractureproppant mapping and monitoring technologies that will allow for both efficient and environmentally prudent development of UOG by developing and simultaneously deploying two novel technologies in an UOG well. The first technology, an acoustic micro emitter (AME) can be mixed with

  17. DNA analysis conference in Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DNA analysis conference in Santa Fe DNA analysis conference in Santa Fe Los Alamos National Laboratory is hosting a DNA sequence analysis and bioinformatics event, the 10th annual Sequencing, Finishing and Analysis in the Future (SFAF) workshop. May 27, 2015 DNA extracted from a soil sample is stored in a small vial of clear liquid. In general, living cells function by using the sequences of bases in their DNA as a blueprint for assembling proteins. A particularly important type of protein is

  18. Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Water Splitting | Stanford Synchrotron Radiation Lightsource Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting Thursday, April 30, 2015 Operando XAS showing structural changes at Fe dopants in Ni(OH)2/NiOOH host structure. Ni(OH)2 is oxidized into γ-NiOOH under OER operating conditions, inducing significant M-O bond contraction at both Ni and Fe sites. Theoretical modeling of site specific OER overpotentials using DFT+U reveals the origin of

  19. Transverse thermoelectric effect in La{sub 0.67}Sr{sub 0.33}MnO{sub 3}|SrRuO{sub 3} superlattices

    SciTech Connect (OSTI)

    Shiomi, Y.; Handa, Y.; Kikkawa, T.; Saitoh, E.

    2015-06-08

    Transverse thermoelectric effects in response to an out-of-plane heat current have been studied in an external magnetic field for ferromagnetic superlattices consisting of La{sub 0.67}Sr{sub 0.33}MnO{sub 3} and SrRuO{sub 3} layers. The superlattices were fabricated on SrTiO{sub 3} substrates by pulsed laser deposition. We found that the sign of the transverse thermoelectric voltage for the superlattices is opposite to that for La{sub 0.67}Sr{sub 0.33}MnO{sub 3} and SrRuO{sub 3} single layers at 200?K, implying an important role of spin Seebeck effects inside the superlattices. At 10?K, the magnetothermoelectric curves shift from the zero field due to an antiferromagnetic coupling between layers in the superlattices.

  20. Frustration by competing interactions in the highly-distorted double perovskites La2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Bugaris, Dan; Li, Ling; Yan, Jiaqiang; Dela Cruz, Clarina R; Zur Loye, Hans-Conrad; Nagler, Stephen E

    2013-01-01

    The usual classical behaviour of S = 3/2, B-site ordered double perovskites generally results in simple, commensurate magnetic ground states. In contrast, heat capacity and neutron powder diffraction measurements for the S = 3/2 systems La2NaB'O6 (B = Ru, Os) reveal an incommensurate magnetic ground state for La2NaRuO6 and a drastically suppressed ordered moment for La2NaOsO6. This behaviour is attributed to the large monoclinic structural distortions of these double perovskites. The distortions have the effect of weakening the nearest neighbour superexchange interactions, presumably to an energy scale that is comparable to the next nearest neighbour superexchange. The exotic ground states in these materials can then arise from a competition between these two types of antiferromagnetic interactions, providing a novel mechanism for achieving frustration in the double perovskite family.

  1. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-08-01

    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 Lu2Fe3Si5 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 (Tc=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 temperature was estimated from temperaturemore » 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 Tc, nor phonon softening were observed.« less

  2. Magnetoelasticity of Fe-Si single crystals

    SciTech Connect (OSTI)

    Xing, Q; Wu, D.; Lograsso, T. A.

    2010-04-20

    The tetragonal magnetostriction constant, (3/2){lambda}{sub 100}, of Fe-Si single crystals was measured and was found to be structure dependent. Similar to that of Fe-Ge single crystals, (3/2){lambda}{sub 100} is positive in the single phase A2 regime, becomes negative in the single phase D0{sub 3} regime, and changes from positive to negative between the two regimes. Short-range order in the A2 regime decreases the magnetostriction prior to the onset of long range order. In the single phase regions of both A2 and D0{sub 3}, thermal history does not show any obvious effect on the magnetostriction, contrary to that found for Fe-Ga alloys. However, in the regions of phase mixture involving A2, B2, and D0{sub 3} phases, quenching pushes the change in magnetostriction from positive to negative to higher Si contents.

  3. The mechanical properties of FeAl

    SciTech Connect (OSTI)

    Baker, I.; George, E.P.

    1996-12-31

    Only in the last few years has progress been made in obtaining reproducible mechanical properties data for FeAl. Two sets of observations are the foundation of this progress. The first is that the large vacancy concentrations that exist in FeAl at high temperature are easily retained at low temperature and that these strongly affect the low-temperature mechanical properties. The second is that RT ductility is adversely affected by water vapor. Purpose of this paper is not to present a comprehensive overview of the mechanical properties of FeAl but rather to highlight our understanding of key phenomena and to show how an understanding of the factors which control the yield strength and fracture behavior has followed the discovery of the above two effects. 87 refs, 9 figs.

  4. Influence of piezoelectric strain on the Raman spectra of BiFeO3 films deposited on PMN-PT substrates

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Himcinschi, Cameliu; Guo, Er -Jia; Talkenberger, Andreas; Dorr, Kathrin; Kortus, Jens

    2016-01-27

    In this study, BiFeO3 epitaxial thin films were deposited on piezoelectric 0.72Pb(Mg1/3Nb2/3)O3-0.28PbTiO3 (PMN-PT) substrates with a conductive buffer layer (La0.7Sr0.3MnO3 or SrRuO3) using pulsed laser deposition. The calibration of the strain values induced by the electric field applied on the piezoelectric PMN-PT substrates was realised using X-Ray diffraction measurements. The method of piezoelectrically induced strain allows to obtain a quantitative correlation between strain and the shift of the Raman-active phonons, ruling out the influence of extrinsic factors, such as growth conditions, crystalline quality of substrates, or film thickness. Using the Poisson number for BiFeO3 one can determine the volume changemore » induced by strain, and therefore the Gr neisen parameters for specific phonon modes.« less

  5. Magnetic interaction in oxygenated alpha Fe-phthalocyanines

    SciTech Connect (OSTI)

    Kuzmann, Ern?, E-mail: kuzmann@caesar.elte.hu; Homonnay, Zoltn; Horvth, Attila [Institute of Chemistry, Etvs Lornd University, P.O. Box 32, 1512 Budapest (Hungary); Pechousek, Jiri; Cuda, Jan; Machala, Libor; Zoppellaro, Giorgio; Zboril, Radek [Regional Centre of Advanced Technologies and Materials, Departments of Experimental Physics and Physical Chemistry, Faculty of Science Palacky University, 17. Listopadu 1192/12, 771 46 Olomouc (Czech Republic); Yin, Houping; Wei, Yen [Department of Chemistry, Drexel University, Philadelphia, PA 19104 (United States); Klencsr, Zoltn [Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, 1117 (Hungary); Kubuki, Shiro [Department of Chemistry, Graduate School of Science and Engineering, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachi-Oji, Tokyo 192-0397 (Japan); Nath, Amar [Department of Chemistry, University of North Carolina, Asheville, NC 28804 (United States)

    2014-10-27

    Alpha iron phthalocyanines (?-FePc) oxygenated at low temperatures were investigated with the help of {sup 57}Fe Mssbauer spectroscopy, magnetization measurements (SQUID) and X-ray diffractometry (XRD). Mssbauer spectroscopy revealed that upon oxygenation of ?-FePc, new species were formed which could be associated with Fe{sup III}Pc oxygen adducts. Unexpectedly, magnetically split spectrum of oxygenated ?-FePc was observed below 20 K. In-field Mssbauer spectra in a 5 T external magnetic field at 5K and magnetization measurements indicate antiferromagnetic coupling in oxygenated ?-FePc.

  6. FE Categorical Exclusions | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    FE Categorical Exclusions FE Categorical Exclusions RSS May 25, 2016 CX-200007 Categorical Exclusion Determination Cheniere Marketing, LLC CX(s) Applied: B5.7 Date: 05/25/2016 Location(s): Texas Office(s): Fossil Energy, Natural Gas Regulation May 18, 2016 CX-200008 Categorical Exclusion Determination Flint Hills Resources, LP CX(s) Applied: B5.7 Date: 05/18/2016 Location(s): Texas Office(s): Fossil Energy, Natural Gas Regulation January 28, 2016 CX-200006: Categorical Exclusion Determination

  7. fe0000663 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    0663 Recovery Act: Hydrogen Energy California Project: Commercial Demonstration of Advanced IGCC with Full Carbon Capture Email Page email Print This Page print Performer: Hydrogen Energy California LLC (HECA) FE0000663.jpg Website: Hydrogen Energy California LLC (HECA) Award Number: FE0000663 Project Duration: 10/1/2009 - 11/1/2018 Total Award Value: $4,028,136,691.001 DOE Share: $408,000,000.00 Performer Share: $3,620,136,691.00 Technology Area: Clean Coal Power Initiative (CCPI) Key

  8. fe0002650 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2650 Recovery Act: Texas Clean Energy Project Email Page email Print This Page print Performer: Summit Texas Clean Energy LLC FE0002650-1-.jpg Rendering of TCEP Facility Website: Summit Texas Clean Energy LLC Award Number: FE0002650 Project Duration: 02/01/2010 - 07/15/20171 Total Award Value: $1,726,628,229.002 DOE Share: $450,000,000.00 Performer Share: $1,276,628,229.00 Technology Area: Clean Coal Power Initiative (CCPI) Key Technology: Advanced Gasification, Advanced Turbines, Carbon Dioxide

  9. Membrane separation advances in FE hydrogen program

    SciTech Connect (OSTI)

    2007-12-31

    Since its inception in Fiscal Year 2003 the US Office of Fossil Energy (FE) Hydrogen from Coal Program has sponsored more than 60 projects and made advances in the science of separating out pure hydrogen from syngas produced through coal gasification. The Program is focusing on advanced hydrogen separation technologies, which include membranes, and combining the WGS reaction and hydrogen separation in a single operation known as process intensification. The article explains the technologies and describes some key FE membrane projects. More details are available from http://www.fossil.energy.gov. 1 fig.

  10. Pressure suppression of unconventional charge-density-wave state in PrRu4P12 studied by optical conductivity

    SciTech Connect (OSTI)

    Okamura H.; Carr G.; Ohta, N.; Takigawa, A.; Matsutori, I.; Shoji, K.; Miyata, K.; Matsunami, M.; Nanba, T.; Sugawara, H.; Sekine, C.; Shirotani, I.; Sato, H.; Moriwaki, T.; Ikemoto, Y.; Liu, Z.

    2012-05-09

    Optical conductivity [{delta}({omega})] of PrRu{sub 4}P{sub 12} has been studied under high pressure to 14 GPa, at low temperatures to 8 K, and at photon energies 12 meV-1.1 eV. The energy gap in {delta}({omega}) at ambient pressure, caused by a metal-insulator transition due to an unconventional charge-density-wave formation at 63 K, is gradually filled in with increasing pressure to 10 GPa. At 14 GPa and below 30 K, {delta}({omega}) exhibits a pronounced Drude-type component due to free carriers. This indicates that the initial insulating ground state at zero pressure has been turned into a metallic one at 14 GPa. This is consistent with a previous resistivity study under pressure, where the resistivity rapidly decreased with cooling below 30 K at 14 GPa. The evolution of electronic structure with pressure is discussed in terms of the hybridization between the 4f and conduction electrons.

  11. Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yi, Hee Taek; Gao, Bin; Xie, Wei; Cheong, Sang -Wook; Podzorov, Vitaly

    2014-10-13

    Reversible control of charge transport and magnetic properties without degradation is a key for device applications of transition metal oxides. Chemical doping during the growth of transition metal oxides can result in large changes in physical properties, but in most of the cases irreversibility is an inevitable constraint. We report a reversible control of charge transport, metal-insulator crossover and magnetism in field-effect devices based on ionically gated archetypal oxide system - SrRuO3. In these thin-film devices, the metal-insulator crossover temperature and the onset of magnetoresistance can be continuously and reversibly tuned in the range 90–250 K and 70–100 K, respectively,more » by application of a small gate voltage. We infer that a reversible diffusion of oxygen ions in the oxide lattice dominates the response of these materials to the gate electric field. These findings provide critical insights into both the understanding of ionically gated oxides and the development of novel applications.« less

  12. Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO2(110)

    SciTech Connect (OSTI)

    Mu, Rentao; Cantu Cantu, David; Glezakou, Vassiliki Alexandra; Lyubinetsky, Igor; Rousseau, Roger J.; Dohnalek, Zdenek

    2015-10-15

    Despite the importance of RuO2 in photocatalytic water splitting and catalysis in general, the interactions of water with even its most stable (110) surface are not well-understood. In this study we employ a combination of high-resolution scanning tunneling microscopy imaging with density functional theory based ab initio molecular dynamics, and we follow the formation and binding of linear water clusters on coordinatively unsaturated ruthenium rows. We find that clusters of all sizes (dimers, trimers, tetramers, extended chains) are stabilized by donating one proton per every two water molecules to the surface bridge bonded oxygen sites, in contrast with water monomers that do not show a significant propensity for dissociation. The clusters with odd number of water molecules are less stable than the clusters with even number, and are generally not observed under thermal equilibrium. For all clusters with even numbers, the dissociated dimers represent the fundamental building blocks with strong intra-dimer hydrogen bonds and only very weak inter-dimer interactions resulting in segmented water chains.

  13. Regulation of brain copper homeostasis by the brain barrier systems: Effects of Fe-overload and Fe-deficiency

    SciTech Connect (OSTI)

    Monnot, Andrew D.; Behl, Mamta; Ho, Sanna; Zheng, Wei

    2011-11-15

    Maintaining brain Cu homeostasis is vital for normal brain function. The role of systemic Fe deficiency (FeD) or overload (FeO) due to metabolic diseases or environmental insults in Cu homeostasis in the cerebrospinal fluid (CSF) and brain tissues remains unknown. This study was designed to investigate how blood-brain barrier (BBB) and blood-SCF barrier (BCB) regulated Cu transport and how FeO or FeD altered brain Cu homeostasis. Rats received an Fe-enriched or Fe-depleted diet for 4 weeks. FeD and FeO treatment resulted in a significant increase (+ 55%) and decrease (- 56%) in CSF Cu levels (p < 0.05), respectively; however, neither treatment had any effect on CSF Fe levels. The FeD, but not FeO, led to significant increases in Cu levels in brain parenchyma and the choroid plexus. In situ brain perfusion studies demonstrated that the rate of Cu transport into the brain parenchyma was significantly faster in FeD rats (+ 92%) and significantly slower (- 53%) in FeO rats than in controls. In vitro two chamber Transwell transepithelial transport studies using primary choroidal epithelial cells revealed a predominant efflux of Cu from the CSF to blood compartment by the BCB. Further ventriculo-cisternal perfusion studies showed that Cu clearance by the choroid plexus in FeD animals was significantly greater than control (p < 0.05). Taken together, our results demonstrate that both the BBB and BCB contribute to maintain a stable Cu homeostasis in the brain and CSF. Cu appears to enter the brain primarily via the BBB and is subsequently removed from the CSF by the BCB. FeD has a more profound effect on brain Cu levels than FeO. FeD increases Cu transport at the brain barriers and prompts Cu overload in the CNS. The BCB plays a key role in removing the excess Cu from the CSF.

  14. 90° magnetic coupling in a NiFe/FeMn/biased NiFe multilayer spin valve component investigated by polarized neutron reflectometry

    SciTech Connect (OSTI)

    Callori, S. J. Bertinshaw, J.; Cortie, D. L.; Cai, J. W. Zhu, T.; Le Brun, A. P.; Klose, F.

    2014-07-21

    We have observed 90° magnetic coupling in a NiFe/FeMn/biased NiFe multilayer system using polarized neutron reflectometry. Magnetometry results show magnetic switching for both the biased and free NiFe layers, the latter of which reverses at low applied fields. As these measurements are only capable of providing information about the total magnetization within a sample, polarized neutron reflectometry was used to investigate the reversal behavior of the NiFe layers individually. Both the non-spin-flip and spin-flip neutron reflectometry signals were tracked around the free NiFe layer hysteresis loop and were used to detail the evolution of the magnetization during reversal. At low magnetic fields near the free NiFe coercive field, a large spin-flip signal was observed, indicating magnetization aligned perpendicular to both the applied field and pinned layer.

  15. Hydrogen Storage Properties of New Hydrogen-Rich BH3NH3-Metal Hydride (TiH2, ZrH2, MgH2, and/or CaH2) Composite Systems

    SciTech Connect (OSTI)

    Choi, Young Joon; Xu, Yimin; Shaw, Wendy J.; Ronnebro, Ewa

    2012-04-19

    Ammonia borane (AB = NH3BH3) is one of the most attractive materials for chemical hydrogen storage due to its high hydrogen contents of 19.6 wt.%, however, impurity levels of borazine, ammonia and diborane in conjunction with foaming and exothermic hydrogen release calls for finding ways to mitigate the decomposition reactions. In this paper we present a solution by mixing AB with metal hydrides (TiH2, ZrH2, MgH2 and CaH2) which have endothermic hydrogen release in order to control the heat release and impurity levels from AB upon decomposition. The composite materials were prepared by mechanical ball milling, and their H2 release properties were characterized by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The formation of volatile products from decomposition side reactions, such as borazine (N3B3H6) was determined by mass spectrometry (MS). Sieverts type pressure-composition-temperature (PCT) gas-solid reaction instrument was adopted to observe the kinetics of the H2 release reactions of the combined systems and neat AB. In situ 11B MAS-NMR revealed a destabilized decomposition pathway. We found that by adding specific metal hydrides to AB we can eliminate the impurities and mitigate the heat release.

  16. Structural Insights into FeMo Cofactor Biosynthesis

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a catalytic component and a specific reductase, which, in the standard system, are referred to as the MoFe protein and the Fe protein. At the active site of the...

  17. Hydrocarbon Inhibition and HC Storage Modeling in Fe-Zeolite...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Inhibition and HC Storage Modeling in Fe-Zeolite Catalysts for HD Diesel Engines Hydrocarbon Inhibition and HC Storage Modeling in Fe-Zeolite Catalysts for HD Diesel Engines ...

  18. AgFe Management Ltd | Open Energy Information

    Open Energy Info (EERE)

    AgFe Management Ltd Jump to: navigation, search Name: AgFe Management Ltd Place: London, England, United Kingdom Zip: W11 1QF Product: London-based, Financial Asset Management and...

  19. Synergistic Catalysis between Pd and Fe in Gas Phase Hydrodeoxygenatio...

    Office of Scientific and Technical Information (OSTI)

    Synergistic Catalysis between Pd and Fe in Gas Phase Hydrodeoxygenation of m-Cresol Citation Details In-Document Search Title: Synergistic Catalysis between Pd and Fe in Gas Phase ...

  20. SEMI-ANNUAL REPORT - GULF LNG LIQUEFACTION COMPANY, LLC - FE...

    Energy Savers [EERE]

    GULF LNG LIQUEFACTION COMPANY, LLC - FE DKT. NO. 12-47-LNG - ORDER 3104 SEMI-ANNUAL REPORT - GULF LNG LIQUEFACTION COMPANY, LLC - FE DKT. NO. 12-47-LNG - ORDER 3104 PDF icon ...

  1. SEMI-ANNUAL REPORT - GULF LNG LIQUEFACTION COMPANY, LLC - FE...

    Broader source: Energy.gov (indexed) [DOE]

    More Documents & Publications SEMI-ANNUAL REPORTS FOR SOUTHERN LNG COMPANY - FE DKT. NO. 12-54-LNG - ORDER 3106 SEMI-ANNUAL REPORTS FOR GULF COAST LNG EXPORT, LLC - FE DKT. NO. ...

  2. NNMCAB Board Minutes: March 2009 Santa Fe | Department of Energy

    Office of Environmental Management (EM)

    09 Santa Fe NNMCAB Board Minutes: March 2009 Santa Fe At This Meeting: NNMCAB Written Reports Report on FY'11 EM Budget Report on Community Outreach Update from Liaisons (DOE,...

  3. Santa Fe, New Mexico: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    stub. You can help OpenEI by expanding it. Santa Fe is a city in Santa Fe County, New Mexico. It falls under New Mexico's 3rd congressional district.12 Registered Energy...

  4. Listing of DOE/FE Authorizations Issued in 2013 | Department...

    Broader source: Energy.gov (indexed) [DOE]

    FE10-111-LNG 012513 Sabine Pass Liquefaction, LLC Opinion and Order Denying Request for ... Order Granting Blanket Authority to Export Natural Gas to Canada 3215 FE12-170-LNG 0102...

  5. NNMCAB Board Minutes: May 2012 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the May 30, 2012 Board meeting at Lodge at Santa Fe Presentation NMED, RCRA The LANL Hazardous Waste Facility Permit and Consent Order, John Kieling Presentation DOE, State of the Laboratory, Ed Worth, Bruch Schappell Presentation DOE, 3706 TRU Waste Campaign Update, Lee Bishop

  6. NNMCAB Board Minutes: March 2006 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the March 29, 2006 Board meeting at Santa Fe Community College Presentation DOE/LANL, Progress and Alternatives for Closure of MDA-L and MDA-G in the Corrective Measures Evaluation, Jim Orban, Dave McInroy

  7. NNMCAB Board Minutes: November 2005 Santa Fe

    Broader source: Energy.gov [DOE]

    Minutes of the November 30, 2005 Board meeting at Santa Fe Community College Presentation EPA, Impacts of Well Construction Practices on Los Alamos National Laboratory Presentation LANL, Pathways Protection Program-Environmental Stewardship Division on Groundwater Monitoring Issues at LANL, Jean Dewart

  8. Ferromagnetism of Fe3Sn and alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sales, Brian C.; Saparov, Bayrammurad; McGuire, Michael A.; Singh, David J.; Parker, David S.

    2014-11-12

    Hexagonal Fe3Sn has many of the desirable properties for a new permanent magnet phase with a Curie temperature of 725 K, a saturation moment of 1.18 MA/m. and anisotropy energy, K1 of 1.8 MJ/m3. However, contrary to earlier experimental reports, we found both experimentally and theoretically that the easy magnetic axis lies in the hexagonal plane, which is undesirable for a permanent magnet material. One possibility for changing the easy axis direction is through alloying. We used first principles calculations to investigate the effect of elemental substitutions. The calculations showed that substitution on the Sn site has the potential tomore » switch the easy axis direction. Transition metal substitutions with Co or Mn do not have this effect. We attempted synthesis of a number of these alloys and found results in accord with the theoretical predictions for those that were formed. However, the alloys that could be readily made all showed an in-plane easy axis. The electronic structure of Fe3Sn is reported, as are some are magnetic and structural properties for the Fe3Sn2, and Fe5Sn3 compounds, which could be prepared as mm-sized single crystals.« less

  9. Santa Fe Chamber of Commerce Business Awards Gala

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Santa Fe Chamber of Commerce Business Awards Gala Santa Fe Chamber of Commerce Business Awards Gala WHEN: Jun 04, 2015 5:30 PM - 7:30 PM WHERE: Skylight 139 West San Francisco Street, Santa Fe CATEGORY: Community INTERNAL: Calendar Login Event Description An event to recognize some of Santa Fe's best and brightest businesses in the following categories: Business Excellence, Small Business of the Year, Family Friendly Business, Green Business, and Woman Owned Business. Come dressed to impress for

  10. FE FY 2017 BUDGET REQUEST PRESENTATION | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    FE FY 2017 BUDGET REQUEST PRESENTATION FE FY 2017 BUDGET REQUEST PRESENTATION FY 2017 budget presentation for the Office of Fossil Energy, including funding requests for programs under Fossil Energy Research and Development and Petroleum Reserves. FY17_Budget_Presentation.pdf (954.07 KB) More Documents & Publications FE FY 2015 Budget Request Presentation Fossil Energy FY 2015 Budget in Brief FE FY 2016 BUDGET REQUEST PRESENTATION

  11. 2011 Annual Planning Summary for Fossil Energy (FE)

    Broader source: Energy.gov [DOE]

    The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within Fossil Energy (FE).

  12. Dual role of Fe dopants in enhancing stability and charge transfer...

    Office of Scientific and Technical Information (OSTI)

    Dual role of Fe dopants in enhancing stability and charge transfer in ( Li 0.8 Fe 0.2 ) ... Title: Dual role of Fe dopants in enhancing stability and charge transfer in ( Li 0.8 Fe ...

  13. Corrosion performance of Fe-Cr-Al and Fe aluminide alloys in complex gas environments

    SciTech Connect (OSTI)

    Natesan, K.; Johnson, R.N.

    1995-05-01

    Alumina-forming structural alloys can offer superior resistance to corrosion in the presence of sulfur-containing environments, which are prevalent in coal-fired fossil energy systems. Further, Fe aluminides are being developed for use as structural materials and/or cladding alloys in these systems. Extensive development has been in progress on Fe{sub 3}Al-based alloys to improve their engineering ductility. In addition, surface coatings of Fe aluminide are being developed to impart corrosion resistance to structural alloys. This paper describes results from an ongoing program that is evaluating the corrosion performance of alumina-forming structural alloys, Fe-Al and Fe aluminide bulk alloys, and Fe aluminide coatings in environments typical of coal-gasification and combustion atmospheres. Experiments were conducted at 650-1000{degrees}C in simulated oxygen/sulfur gas mixtures. Other aspects of the program are corrosion evaluation of the aluminides in the presence of HCl-containing gases. Results are used to establish threshold Al levels in the alloys for development of protective alumina scales and to determine the modes of corrosion degradation that occur in the materials when they are exposed to S/Cl-containing gaseous environments.

  14. Multiferroicity and spiral magnetism in FeVO{sub 4} with quenched Fe orbital moments

    SciTech Connect (OSTI)

    Daoud-Aladine, A.; Chapon, L. C.; Kundys, B.; Martin, C.; Simon, C.; Radaelli, P. G.; Brown, P. J.

    2009-12-01

    FeVO{sub 4} has been studied by heat capacity, magnetic susceptibility, electric polarization and single-crystal neutron-diffraction experiments. The triclinic crystal structure is made of S-shaped clusters of six Fe{sup 3+} ions, linked by VO{sub 4}{sup 3-} groups. Two long-range magnetic ordering transitions occur at T{sub N1}=22 K and T{sub N2}=15 K. Both magnetic structures are incommensurate and below T{sub N2}, FeVO{sub 4} becomes weakly ferroelectric coincidentally with the loss of the collinearity of the magnetic structure in a very similar fashion than in the classical TbMnO{sub 3} multiferroic material. However we argue that the symmetry considerations and the mechanisms invoked to explain these properties in TbMnO{sub 3} do not straightforwardly apply to FeVO{sub 4}. First, the magnetic structures, even the collinear structure, are all acentric so that ferroelectricity in FeVO{sub 4} is not correlated with the fact magnetic ordering is breaking inversion symmetry. Regarding the mechanism, FeVO{sub 4} has quenched orbital moments that questions the exact role of the spin-orbit interactions.

  15. Superconductivity in the presence of disorder in skutterudite-related La3Co4Sn13 and La3Ru4Sn13 compounds: Electrical transport and magnetic studies

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Slebarski, A.; Maska, M. M.; Fijalkowski, M.; McElroy, C. A.; Maple, M. B.

    2015-06-25

    La3Co4Sn13 and La3Ru4Sn13 were categorized as BCS superconductors. In a plot of the critical field Hc2 vs T, La3Ru4Sn13 displays a second superconducting phase at the higher critical temperature Tc*, characteristic of inhomogeneous superconductors, while La3Co4Sn13 shows bulk superconductivity below Tc. We observe a decrease in critical temperatures with external pressure and magnetic field for both compounds. Additionally, for La3Ru4Sn13 we find that Tc*/dP>dTc/dP. The pressure dependences of Tc are interpreted according to the McMillan theory and understood to be a consequence of lattice stiffening. The investigation of the superconducting state of La3CoxRu4–xSn13 shows a Tc* that is larger thenmore » Tc for x < 4. Furthermore, this unique and unexpected observation is discussed as a result of the local disorder and/or the effect of chemical pressure when Ru atoms are partially replaced by smaller Co atoms.« less

  16. Comprehensive Fe-ligand vibration identification in {FeNO}6 Hemes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Jianfeng; Peng, Qian; Oliver, Allen G.; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Sage, J. Timothy; Scheidt, W. Robert

    2014-12-09

    Oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS) has been used to obtain all iron vibrations in two {FeNO}6 porphyrinate complexes, five-coordinate [Fe(OEP)(NO)]ClO4 and six-coordinate [Fe(OEP)(2-MeHIm)(NO)]ClO4. A new crystal structure was required for measurements of [Fe(OEP)(2-MeHIm)(NO)]ClO4, and the new structure is reported herein. Single crystals of both complexes were oriented to be either parallel or perpendicular to the porphyrin plane and/or axial imidazole ligand plane. Thus, the FeNO bending and stretching modes can now be unambiguously assigned; the pattern of shifts in frequency as a function of coordination number can also be determined. The pattern is quite distinct from those foundmore » for CO or {FeNO}7 heme species. This is the result of unchanging Fe–NNO bonding interactions in the {FeNO}6 species, in distinct contrast to the other diatomic ligand species. DFT calculations were also used to obtain detailed predictions of vibrational modes. Predictions were consistent with the intensity and character found in the experimental spectra. The NRVS data allow the assignment and observation of the challenging to obtain Fe–Im stretch in six-coordinate heme derivatives. Furthermore, NRVS data for this and related six-coordinate hemes with the diatomic ligands CO, NO, and O2 reveal a strong correlation between the Fe–Im stretch and Fe–NIm bond distance that is detailed for the first time.« less

  17. Interface characterization of epitaxial Fe/MgO/Fe magnetic tunnel junctions

    SciTech Connect (OSTI)

    Wang, Shouguo; Ward, R. C. C.; Zhang, Xiaoguang; Kohn, A.; Ma, Q. L.; Zhang, J.; Liu, H. F.; Han, Prof. X. F.

    2012-01-01

    Following predictions by first-principles theory of huge tunnel magnetoresistance (TMR) effect in epitaxial Fe/MgO/Fe magnetic tunnel junctions (MTJs), measured magnetoresistance (MR) ratio about 200% at room temperature (RT) have been reported in MgO-based epitaxial MTJs. Recently, MR ratio of about 600% has been reported at RT in MgO-based amorphous MTJs with core structure of CoFeB/MgO/CoFeB grown by magnetron sputtering with amorphous CoFeB layers. The sputtered CoFeB/MgO/CoFeB MTJs shows a great potential application in spintronic devices. Although epitaxial structure will probably not be used in devices, it remains an excellent model system to compare theoretical calculations with experimental results and to enhance our understanding of the spin dependent tunneling. Both theoretical calculations and experimental results clearly indicate that the interfacial structure plays a crucial role on coherent tunneling across single crystalMgO barrier, especially in epitaxial MgO-based MTJs grown by molecular beam epitaxy (MBE). Surface X-ray diffraction, Auger electron spectroscopy, X-ray absorption spectra, and X-ray magnetic circular dichroism have been used for interface characterization. However, no consistent viewpoint has been reached, and this is still an open issue. In this article, recent studies on the interface characterization in MgO-based epitaxial MTJs will be introduced, with a focus on research by X-ray photoelectron spectroscopy, high resolution transmission electron microscopy, and spin dependent tunneling spectroscopy.

  18. Fe-implanted 6H-SiC: Direct evidence of Fe{sub 3}Si nanoparticles observed by atom probe tomography and {sup 57}Fe Mssbauer spectroscopy

    SciTech Connect (OSTI)

    Diallo, M. L.; Fnidiki, A. Lard, R.; Cuvilly, F.; Blum, I.; Lechevallier, L.; Debelle, A.; Thom, L.; Viret, M.; Marteau, M.; Eyidi, D.; Declmy, A.

    2015-05-14

    In order to understand ferromagnetic ordering in SiC-based diluted magnetic semiconductors, Fe-implanted 6H-SiC subsequently annealed was studied by Atom Probe Tomography, {sup 57}Fe Mssbauer spectroscopy and SQUID magnetometry. Thanks to its 3D imaging capabilities at the atomic scale, Atom Probe Tomography appears as the most suitable technique to investigate the Fe distribution in the 6H-SiC host semiconductor and to evidence secondary phases. This study definitely evidences the formation of Fe{sub 3}Si nano-sized clusters after annealing. These clusters are unambiguously responsible for the main part of the magnetic properties observed in the annealed samples.

  19. Electronic and magnetic transitions in perovskite SrRu{sub 1-x}Ir{sub x}O{sub 3} thin films

    SciTech Connect (OSTI)

    Biswas, Abhijit; Lee, Yong Woo; Jeong, Yoon Hee

    2015-09-07

    We have investigated the electronic and magnetic properties of perovskite SrRu{sub 1−x}Ir{sub x}O{sub 3} (0.0≤ x ≤ 0.25) thin films grown by pulsed laser deposition on atomically flat (001) SrTiO{sub 3} substrates. SrRuO{sub 3} has the properties of a ferromagnetic metal (resistivity ρ ∼ 200 μΩ · cm at T = 300 K) with Curie temperature T{sub C} ∼ 150 K. Substituting Ir (5d{sup 5+}) for Ru (4d{sup 4+}) in SrRuO{sub 3}, films (0.0 ≤ x ≤ 0.20) showed fully metallic behavior and ferromagnetic ordering, although ρ increased and the ferromagnetic T{sub C} decreased. Films with x = 0.25 underwent the metal-to-insulator transition (T{sub MIT}∼75 K) in ρ, and spin-glass-like ordering (T{sub SG}∼45 K) with the elimination of ferromagnetic long-range ordering caused by the electron localization at the substitution sites. In ferromagnetic films (0.0 ≤ x ≤ 0.20), ρ increased near-linearly with T at T > T{sub C}, but in paramagnetic film (x = 0.25) ρ increased as T{sup 3/2} at T > T{sub MIT}. Moreover, observed spin-glass-like (T{sub SG}) ordering with the negative magnetoresistance at T < T{sub MIT} in film with x = 0.25 validates the hypothesis that (Anderson) localization favors glassy ordering at amply disorder limit. These observations provide a promising approach for future applications and of fundamental interest in 4d and 5d mixed perovskites.

  20. FE Petroleum Reserves News | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Petroleum Reserves News FE Petroleum Reserves News RSS April 9, 2015 Contracts Awarded to Repurchase Oil for the Strategic Petroleum Reserve The U. S. Department of Energy announced the award of contracts for delivery of crude oil to the Strategic Petroleum Reserve. BP Products North America, Inc., will deliver 2,197,500 barrels and Noble Americas will deliver 2,000,000 barrels to the Reserve's Bryan Mound site in Freeport, Texas. Deliveries are expected to be completed by July 31, 2015.

  1. fe0013565-UOregon | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrate Evolution in Response to Ongoing Environmental Shifts Last Reviewed 12/2/2015 DE-FE0013565 Goal The project goal is to create models that will be used to improve forecasts of slope stability and pockmark development, which could prevent disruptions of hydrate reserves and possible release of hydrates into the atmosphere. Performers University of Oregon, Eugene, OR 97403-5219 Background Natural gas hydrate reservoirs are dynamic systems that evolve gradually but can also decompose

  2. fe0013590-PSU | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Continuous, Regional Methane Emissions Estimates in Northern Pennsylvania Gas Fields Using Atmospheric Inversions Last Reviewed 6/13/2016 DE-FE0013590 Goal The goal of this project is to quantify fugitive and total emissions of methane from the Marcellus gas production region of north-central Pennsylvania, with an emphasis on detecting changes in emissions over time caused by changing gas production activity. Performers The Pennsylvania State University (Penn State), University Park, PA

  3. fe0013689-WVU | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Assessing Fugitive Methane Emissions Using Natural Gas Engines in Unconventional Resource Development Last Reviewed 6/14/2016 DE-FE0013689 Goal The project goal is to create an inventory of diesel engines, their use, and their emissions during unconventional well development. The first project objective is to analyze the benefits of operating these or similar engines on dual fuel or dedicated natural gas to determine regulated and non-regulated emissions and fuel cost reductions. The next

  4. fe0013902-groundmetrics | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Evaluation of Deep Subsurface Resistivity Imaging for Hydrofracture Monitoring Last Reviewed 6/14/2016 DE-FE0013902 Goal The goal of this project is to quantify how well an in-situ measurement of bulk electrical resistivity using the new method of Depth to Surface Electromagnetic (DSEM) imaging can be related to the changes in rock properties and fluid propagation that occur as a result of hydraulic fracturing. Performer GroundMetrics, Inc. (GMI), San Diego, CA, 92123 Collaborators Global

  5. fe0013919-UTAustin | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    METHANE HYDRATE PROJECTS Mechanisms for Methane Transport and Hydrate Accumulation in Coarse-Grained Reservoirs Last Reviewed 6/13/2016 DE-FE0013919 Goal The project goal is to evaluate whether the transport of methane, and the specific mechanism by which it is transported, are the primary controls on the development of persistent, massive hydrate accumulations in sediments below the seabed. The dissolved methane flux and time required to develop the accumulations observed at Walker Ridge Block

  6. fe0014144-Oceanit | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    EXPLORATION AND PRODUCTION TECHNOLOGIES "Nanite" for Better Well-Bore Integrity and Zonal Isolation Last Reviewed 6/14/2016 DE-FE0014144 Goal The project goal is to demonstrate how real-time sensing of Nanite(tm) can improve long-term wellbore integrity and zonal isolation in shale gas and applicable oil and gas operations. Nanite is a cementitious material that contains a proprietary formulation of functionalized nanomaterial additive to transform conventional cement into a smart

  7. fe0022898-usgs | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Alaska Natural Gas Hydrate Production Testing: Test Site Selection, Characterization, and Testing Operations Last Reviewed 5/25/2016 DE-FE0022898 Goal The primary goal of this project is to provide geologic and geophysical technical support to identify and characterize gas hydrate production test sites on the Alaska North Slope. Performer U.S. Geological Survey (USGS) - Denver, CO Background This Interagency Agreement is intended to support the U.S. Department of Energy (DOE) and its research

  8. fe0024271-utaustin | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fracture Diagnostics Using Low Frequency Electromagnetic Induction and Electrically Conductive Proppants Last Reviewed 5/4/16 DE-FE0024271 Goal The project goal is to develop a new Low Frequency Electromagnetic Induction method, which has the potential to estimate not only the propped length, height, and orientation of hydraulic fractures but also the vertical distribution of proppant within the fracture. The proposed low frequency electromagnetic induction tool can be used to detect far-field

  9. fe0024292-gti | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Resources - Field Labs Hydraulic Fracturing Test Site (HFTS) Last Reviewed 5/11/2016 DE-FE0024292 Goal This project is to conduct a field-based hydraulic fracturing research program for horizontal shale wells with the objectives of reducing and minimizing potential environmental impacts, demonstrating safe and reliable operations, and improving the efficiency of hydraulic fracturing. The research will advance our understanding of the hydraulic fracturing process in shale reservoirs, and thus,

  10. fe0024296-msu | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Resources Methods to Enhance Wellbore Cement Integrity with Microbially-Induced Calcite Precipitation (MICP) Last Reviewed 5/4/2016 DE-FE0024296 Goal The goal of this project is to develop improved methods for sealing compromised wellbore cement in leaking natural gas and oil wells, thereby reducing the risk of unwanted upward gas migration. Integrated laboratory testing, simulation modeling, and field testing will be conducted to achieve this goal. Performer Montana State University (MSU),

  11. fe0024297-WVU | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Resources - Field Laboratories Marcellus Shale Energy and Environment Laboratory (MSEEL) Last Reviewed May 2016 DE-FE0024297 Goal The goal of the Marcellus Shale Energy and Environment Laboratory (MSEEL) is to provide a long-term field site to develop and validate new knowledge and technology to improve recovery efficiency and minimize environmental implications of unconventional resource development. Performer West Virginia University, Northeast Natural Energy and The Ohio State University

  12. fe0024311-ttu | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Maximize Liquid Oil Production from Shale Oil and Gas Condensate Reservoirs by Cyclic Gas Injection Last Reviewed 5/20/2016 DE-FE0024311 Goal The project goal is to evaluate the oil recovery potential of cyclic gas injection. Detailed project objectives include: Studying the dominant mechanisms of gas injection in shale reservoirs (e.g., pressure maintenance or miscibility) Finding the most effective mode of gas injection in shale oil and gas condensate reservoirs (e.g., gas flooding or

  13. fe0024357-osu | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Resources - Field Labs Utica Shale Energy and Environment Laboratory (USEEL) Last Reviewed 5/27/2016 DE-FE0024357 Goal The goal of this project is to develop and maintain a field research facility in the heart of the Utica Shale play that will provide a platform for environmental and geotechnical studies before, during, and after unconventional oil and gas (UOG) development. Performers The Ohio State University (OSU), Columbus, OH West Virginia University, Morgantown, WV Environmental Friendly

  14. La Fonda on the Plaza --- Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    La Fonda on the Plaza --- Santa Fe March 8 to 11, 2015 Quantum and Dirac Materials for Energy Applications Conference Welcome to the Quantum and Dirac Materials for Energy Applications Conference (QDM-15). This conference follows the Competing Orders in Functional Materials and their Applications Workshop, which was held at Nordita in Stockholm, Sweden in June of 2013. The Quantum and Dirac Materials for Energy Applications Conference is hosted by the Institute for Materials Science (IMS) at Los

  15. FE0003616_PSU | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Stripper Well Consortium Last Reviewed 12/3/2015 DE-FE0003616 Goal The goal of the Stripper Well Consortium (SWC) [external site] is to enhance the ability of the domestic production industry to keep stripper wells producing at economic production rates in an environmentally safe manner, maximizing the recovery of domestic hydrocarbon resources. Performer The Pennsylvania State University (Energy Institute), University Park, PA 16823 Background The United States has more oil and gas wells than

  16. FE0005961_UIllinois | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    RVA: 3-D Visualization and Analysis Software to Support Management of Unconventional Oil and Gas Resources Last Reviewed 12/2/2015 DE-FE0005961 Goal This project will produce a state-of-the-art 3-D visualization and analysis software package targeted for improving development of oil and gas resources. The software [RVA (Reservoir Visualization and Analysis)] will display data, models, and reservoir simulation results and have the ability to jointly visualize and query data from geologic models

  17. FE00880_RBDMS | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Risk Based Data Management System (RBDMS) and Cost Effective Regulatory Approaches (CERA) Related to Hydraulic Fracturing and Geologic Sequestration of Carbon Dioxide (CO2) Last Reviewed 6/13/2016 DE-FE0000880 Goal The goal of this project is to enhance the RBDMS by adding new components relevant to environmental topics associated with hydraulic fracturing (HF), and by management of myriad data regarding oil and natural gas well histories, brine disposal, production, enhanced recovery,

  18. International science conferences in Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    International science conferences International science conferences in Santa Fe The conference are 2012 International Conference on Defects in Insulating Materials and Computer Simulation of Radiation Effects in Solids. June 22, 2012 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los

  19. The Office of Fossil Energy's (FE) Clean

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Office of Fossil Energy's (FE) Clean Coal Technology Demonstration Program (1986-1993) laid the foundation for effective technologies now in use that have helped significantly lower emissions of sulfur dioxide (SO 2 ), nitrogen oxides (NO x ) and airborne particulates (PM 10 ). The program forged cost-sharing partnerships between the U.S. Department of Energy, industry, universities and technology suppliers and users. The U.S. General Accounting Office said the program demonstrated "how the

  20. VERY LATE PHOTOMETRY OF SN 2011fe

    SciTech Connect (OSTI)

    Kerzendorf, W. E. [Department of Astronomy and Astrophysics, University of Toronto, 50 Saint George Street, Toronto, ON M5S 3H4 (Canada); Taubenberger, S.; Seitenzahl, I. R.; Ruiter, A. J., E-mail: wkerzendorf@gmail.com [Max-Planck-Institut fr Astrophysik, Karl-Schwarzschild-Strae 1, D-85748 Garching (Germany)

    2014-12-01

    The Type Ia supernova SN 2011fe is one of the closest supernovae of the past decades. Due to its proximity and low dust extinction, this object provides a very rare opportunity to study the extremely late time evolution (>900 days) of thermonuclear supernovae. In this Letter, we present our photometric data of SN 2011fe taken at an unprecedented late epoch of ?930 days with GMOS-N mounted on the Gemini North telescope (g=23.43 0.28, r=24.14 0.14, i=23.91 0.18, and z=23.90 0.17) to study the energy production and retention in the ejecta of SN 2011fe. Together with previous measurements by other groups, our result suggests that the optical supernova light curve can still be explained by the full thermalization of the decay positrons of {sup 56}Co. This is in spite of theoretical predicted effects (e.g., infrared catastrophe, positron escape, and dust) that advocate a substantial energy redistribution and/or loss via various processes that result in a more rapid dimming at these very late epochs.

  1. Incorporation of oxidized uranium into Fe (hydr)oxides during Fe(II) catalyzed remineralization

    SciTech Connect (OSTI)

    Nico, Peter S.; Stewart, Brandy D.; Fendorf, Scott

    2009-07-01

    The form of solid phase U after Fe(II) induced anaerobic remineralization of ferrihydrite in the presence of aqueous and absorbed U(VI) was investigated under both abiotic batch and biotic flow conditions. Experiments were conducted with synthetic ground waters containing 0.168 mM U(VI), 3.8 mM carbonate, and 3.0 mM Ca{sup 2+}. In spite of the high solubility of U(VI) under these conditions, appreciable removal of U(VI) from solution was observed in both the abiotic and biotic systems. The majority of the removed U was determined to be substituted as oxidized U (U(VI) or U(V)) into the octahedral position of the goethite and magnetite formed during ferrihydrite remineralization. It is estimated that between 3% and 6% of octahedral Fe(III) centers in the new Fe minerals were occupied by U(VI). This site specific substitution is distinct from the non-specific U co-precipitation processes in which uranyl compounds, e.g. uranyl hydroxide or carbonate, are entrapped with newly formed Fe oxides. The prevalence of site specific U incorporation under both abiotic and biotic conditions and the fact that the produced solids were shown to be resistant to both extraction (30 mM KHCO{sub 3}) and oxidation (air for 5 days) suggest the potential importance of sequestration in Fe oxides as a stable and immobile form of U in the environment.

  2. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    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 Lu2Fe3Si5 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 (Tc=6.1 K). Furthermore, 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. The value of Debye temperature was estimated from temperaturemore » dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. As a result, neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  3. Magnetic hardening of Ce1+xFe11–yCoyTi with ThMn12 structure by melt spinning

    SciTech Connect (OSTI)

    Zhou, Chen; Sun, Kewei; Pinkerton, Frederick E.; Kramer, M. J.

    2015-04-15

    A recent study on the intrinsic magnetic properties of CeFe11–yCoyTi has revealed that substituting one Co for Fe retains the favorable magnetocrystalline anisotropy Ha found in the ternary Fe end member, while enhancing the Curie temperature Tc and saturation magnetization 4πMs. These findings warrant further optimization around Co substitution y = 1 to try to exploit the hard magnetic properties of these Ce-based magnets. Both Ce and Co concentrations in Ce1+xFe11–yCoyTi have been optimized in the range of x = 0 – 0.2 and y = 0 –1.5. It was found that Co substitution effectively enhances all hard magnetic properties, although the values are still lower than those predicted from the intrinsic magnetic properties. Specifically, Tc increases from 210 °C to 285 – 350 °C; 4πM19 (magnetization at 19 kOe) from 8.9 kG to 10.5 – 11.5 kG, remanence Br from 3.1 kG to 4.1 – 4.5 kG, and most importantly, Hci from 1.1 kOe to 1.5 kOe. As a result, the room temperature energy product (BH)max has been increased by over 100% from 0.7 MGOe in Ce1.1Fe11Ti to 1.5 MGOe in Ce1.05Fe9.75Co1.25Ti. Microscopy analysis indicates that the addition of Co refines the grain size and promotes chemical homogeneity at the microscopic scale. As a result, the beneficial effect of Co on the microstructure contributes to the improved hard magnetic properties.

  4. Proteome of Geobacter sulfurreducens grown with Fe(III) oxide or Fe(III) citrate as the electron acceptor.

    SciTech Connect (OSTI)

    Ding, Y-H R.; Hixson, Kim K.; Aklujkar, Ma; Lipton, Mary S.; Smith, Richard D.; Lovley, Derek R.; Mester, Tunde

    2008-12-01

    e(III) oxides are the most abundant source of reducible Fe(III) by microorganisms in most soils and sediments, yet few studies on the physiology of Fe(III)-reducing microorganisms during growth on Fe(III) oxide have been conducted because of the technical difficulties in working with cell growth and harvest in the presence of Fe(III) oxides. Geobacter sulfurreducens is a representative of the Geobacter species that predominate in a variety of subsurface environments in which Fe(III) oxide is important. In order to better understand the physiology of Geobacter species during growth on Fe(III) oxide, the proteome of G. sulfurreducens grown on Fe(III) oxide was compared with the proteome of cells grown with soluble Fe(III) citrate. Two-dimensional polyacrylamide gel electrophoresis (2-D PAGE) revealed 19 proteins that were more abundant during growth on Fe(III) oxide than on soluble Fe(III). These included proteins related to protein synthesis, electron transfer and energy production, oxidative stress, protein folding, outer membrane proteins, nitrogen metabolism and hypothetical proteins. Further analysis of the proteome with the accurate mass and time (AMT) tag method revealed additional proteins associated with growth on Fe(III) oxide. These included the outer-membrane c-type cytochrome, OmcS and OmcG, which genetic studies have suggested are required for Fe(III) oxide reduction. Furthermore, several other cytochromes, as yet unstudied, were detected to be significantly up regulated during growth on Fe(III) oxide and other proteins of unknown function were more abundant during growth on Fe(III) oxide than on soluble Fe(III). PilA, the structural protein for pili, which is required for Fe(III) oxide reduction, and other pilin-associated proteins were also more abundant during growth on Fe(III) oxide. Confirmation of the differential expression of proteins known to be important in Fe(III) oxide reduction was observed, and an additional number of previously

  5. Interfacial electronic transport phenomena in single crystalline Fe-MgO-Fe thin barrier junctions

    SciTech Connect (OSTI)

    Gangineni, R. B.; Negulescu, B.; Baraduc, C.; Gaudin, G.

    2014-05-05

    Spin filtering effects in nano-pillars of Fe-MgO-Fe single crystalline magnetic tunnel junctions are explored with two different sample architectures and thin MgO barriers (thickness: 3–8 monolayers). The two architectures, with different growth and annealing conditions of the bottom electrode, allow tuning the quality of the bottom Fe/MgO interface. As a result, an interfacial resonance states (IRS) is observed or not depending on this interface quality. The IRS contribution, observed by spin polarized tunnel spectroscopy, is analyzed as a function of the MgO barrier thickness. Our experimental findings agree with theoretical predictions concerning the symmetry of the low energy (0.2 eV) interfacial resonance states: a mixture of Δ{sub 1}-like and Δ{sub 5}-like symmetries.

  6. On the transition rates of the Fe X and Fe XIV corona lines

    SciTech Connect (OSTI)

    Trabert, E

    2003-11-20

    Despite a considerable scatter of the theoretical predictions of the M1/E2 transition rate of the ''red iron line'' (FeX) in the solar corona, there is disagreement of all the results with the single measurement that used an electrostatic ion trap. Employing a heavy-ion storage ring for measuring the same transition in isoelectronic ions of Co, Ni, and Cu, the situation has been clarified, and a new data point for FeX can be determined by extrapolation. This result agrees with the basic atomic structure prediction for the line strength in combination with the experimental transition energy. For the ''green iron line'' (FeXIV), a recent measurement with an electron beam ion trap has resolved similar discrepancies.

  7. Stellar and laboratory XUV/EUV line ratios in Fe XVIII and Fe XIX

    SciTech Connect (OSTI)

    Traebert, E.; Beiersdorfer, P.; Clementson, J.

    2012-05-25

    A so-called XUV excess has been suspected with the relative fluxes of Fe XVIII and Fe XIX lines observed in the XUV and EUV ranges of the spectrum of the star Capella as observed by the Chandra spacecraft, even after correction for interstellar absorption. This excess becomes apparent in the comparison of the observations with simulations of stellar spectra obtained using collisional-radiative models that employ, for example, the Atomic Plasma Emission Code (APEC) or the Flexible Atomic Code (FAC). We have addressed this problem by laboratory studies using the Livermore electron beam ion trap (EBIT).

  8. Microsoft Word - Multiscale_Speciation bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    parameter in environmental risk assessment and remediation because it determines their transport, toxicology, and ultimate disposition. This tenet especially applies to uranium...

  9. Microsoft Word - MnO_Reduction bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    measured the resultant x-ray absorption spectra, and a sampling portal enabled acquisition of filter samples to be measured later by x-ray diffraction and Raman spectroscopy. ...

  10. Microsoft Word - Cohen-Goniometer bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    E. G. Kovaleva, A. C. Kruse, H. T. Lemke, G. Lin, A. Y. Lyubimov, A. Manglik, I. I. Mathews, S. E. McPhillips, S. Nelson, J. W. Peters, N. K. Sauter, C. A. Smith, J. Song, H. P....

  11. Microsoft Word - Brunger-SNARE-2015 bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    dopamine or serotonin) from brain cells in less than one-thousandth of a second, which ultimately could help unlock a new realm of drug research targeting brain disorders 1. ...

  12. Microsoft Word - Translocator_protein bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    November 2015 Translocator Protein Structure and Function Translocator protein (TSPO) is an ancient conserved protein whose functions in bacteria and higher eukaryotes are yet to...

  13. Microsoft Word - MappingMetals bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fluid catalytic cracking (FCC) is the refining process for converting large andor heavy molecules of oil feedstock into smaller and lighter hydrocarbons, such as gasoline....

  14. Microsoft Word - In-Situ_Zno bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nucleation and Growth of Electrodeposited ZnO Visualized by in-Situ X-ray Microscopy Electrodeposition (ED) of ZnO has been widely used to deposit transparent conducting films for optoelectronic applications. The film quality, and consequently the performance of the film, is highly dependent on both the nucleation and growth of ZnO. Current studies employ ex-situ experiments where the film is deposited, dried, and prepared for electron imaging. However, such techniques may introduce artefacts

  15. Microsoft Word - MnO_Reduction bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    May 2016 Figure 1. Schematic of flow-through system developed at SSRL. A reaction vessel with manganese oxides and media required for microbial experiments was kept anoxic with nitrogen gas and pH was measured using an environmental pH probe. A portion of the fluid was sampled using a peristaltic pump through anaerobic tubing to the beam line hutch where the x-ray beam sampled the Mn coordination environment, mineralogy, and redox state through a Kapton tape window on an x-ray flow-through cell.

  16. Microsoft Word - Nuclearpore_Architecture bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Overview of the composite structure of the NPC symmetric core. Structure of the Cell's DNA Gatekeeper The nuclear pore complex (NPC), a very large macromolecular machine embedded in the nuclear envelope, is the sole gateway for the bi- directional transport of macromolecules between the nucleus and cytoplasm 1,2 . The NPC is also involved in diverse cellular processes, including transcription, mRNA maturation, and genome organization. NPCs are composed of 34 different types of proteins

  17. Microsoft Word - MediaTechnology bh

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Clusters and Structural Grains in Magnetic Recording Media Historically, areal density increases in longitudinal hard disk drive media technology have been driven by...

  18. Ultra-high-performance core–shell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

    SciTech Connect (OSTI)

    Chen, Dan; Li, Yuexia; Liao, Shijun; Su, Dong; Song, Huiyu; Li, Yingwei; Yang, Lijun; Li, Can

    2015-08-03

    Core–shell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a core–shell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find that the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the core–shell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance core–shell catalysts for fuel cell applications.

  19. Ultra-high-performance core–shell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chen, Dan; Li, Yuexia; Liao, Shijun; Su, Dong; Song, Huiyu; Li, Yingwei; Yang, Lijun; Li, Can

    2015-08-03

    Core–shell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a core–shell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find thatmore » the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the core–shell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance core–shell catalysts for fuel cell applications.« less

  20. Structural characterisation of BaTiO{sub 3} thin films deposited on SrRuO{sub 3}/YSZ buffered silicon substrates and silicon microcantilevers

    SciTech Connect (OSTI)

    Colder, H.; Jorel, C. Mchin, L.; Domengs, B.; Marie, P.; Boisserie, M.; Guillon, S.; Nicu, L.; Galdi, A.

    2014-02-07

    We report on the progress towards an all epitaxial oxide layer technology on silicon substrates for epitaxial piezoelectric microelectromechanical systems. (101)-oriented epitaxial tetragonal BaTiO{sub 3} (BTO) thin films were deposited at two different oxygen pressures, 5.10{sup ?2} mbar and 5.10{sup ?3} mbar, on SrRuO{sub 3}/Yttria-stabilized zirconia (YSZ) buffered silicon substrates by pulsed laser deposition. The YSZ layer full (001) orientation allowed the further growth of a fully (110)-oriented conductive SrRuO{sub 3} electrode as shown by X-ray diffraction. The tetragonal structure of the BTO films, which is a prerequisite for the piezoelectric effect, was identified by Raman spectroscopy. In the BTO film deposited at 5.10{sup ?2} mbar strain was mostly localized inside the BTO grains whereas at 5.10{sup ?3} mbar, it was localized at the grain boundaries. The BTO/SRO/YSZ layers were finally deposited on Si microcantilevers at an O{sub 2} pressure of 5.10{sup ?3} mbar. The strain level was low enough to evaluate the BTO Young modulus. Transmission electron microscopy (TEM) was used to investigate the epitaxial quality of the layers and their epitaxial relationship on plain silicon wafers as well as on released microcantilevers, thanks to Focused-Ion-Beam TEM lamella preparation.

  1. Calorimetric, spectroscopic and structural investigations of phase polymorphism in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Part I

    SciTech Connect (OSTI)

    Dolega, Diana; Mikuli, Edward; Inaba, Akira; Gorska, Natalia; Holderna-Natkaniec, Krystyna; Nitek, Wojciech

    2013-01-15

    Four crystalline phases of the coordination compound [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3} are identified by adiabatic calorimetry. Three phase transitions, one at T{sub C3}(IV{yields}III)=30.7 K, the second at T{sub C2}(III{yields}II)=91.7 K (both accompanied by comparable entropy changes 3.0 and 3.1 J K{sup -1} mol{sup -1}, respectively) and the third at T{sub C1}(II{yields}I)=241.6 K (accompanied by an entropy change of 8.1 J K{sup -1} mol{sup -1}) were discovered. X-ray single crystal diffraction (at 293 K) demonstrates that phase I is a highly dynamic disordered cubic phase (Fm3{sup Macron }m, No. 225) with two types of BF{sub 4}{sup -} anions differing in a degree of disorder. In phase II (at 170 K) the structure remains cubic (Ia3{sup Macron }, No. 206), with two different types of cations and four different types of anions. Splitting of certain IR bands connected with NH{sub 3} ligands at the observed phase transitions suggests a lowering of the symmetry of the [Ru(NH{sub 3}){sub 6}]{sup 3+} complex cation. Both NH{sub 3} ligands and BF{sub 4}{sup -} anions perform fast reorientations ({tau}{sub R} Almost-Equal-To 10{sup -12} s), which are significantly slowed down below the phase transition at T{sub C3}. {sup 1}H NMR studies led to estimate the values of the activation energy of NH{sub 3} ligands reorientation in the phases II and I as equal to {approx}8 kJ mol{sup -1}. In phase I the whole hexammineruthenium(III) cations reorientation as a tumbling process can be noticed. The activation energy value of this motion is {approx}24 kJ mol{sup -1}. {sup 19}F NMR studies give the values of the activation energy of BF{sub 4}{sup -} anions reorientation as {approx}6 kJ mol{sup -1}. Above the phase transition temperature half of BF{sub 4}{sup -} anions perform a tumbling motion with E{sub a} Almost-Equal-To 8 kJ mol{sup -1}. - Graphical abstract: A series of complementary methods, such as Adiabatic Calorimetry, Differential Scanning Calorimetry, Fourier

  2. [?/Fe]ABUNDANCES OF FOUR OUTER M31 HALO STARS

    SciTech Connect (OSTI)

    Vargas, Luis C.; Geha, Marla; Tollerud, Erik J. [Department of Astronomy, Yale University, 260 Whitney Avenue, New Haven, CT 06511 (United States); Gilbert, Karoline M. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Kirby, Evan N. [California Institute of Technology, 1200 East California Boulevard, MC 249-17, Pasadena, CA 91125 (United States); Guhathakurta, Puragra, E-mail: luis.vargas@yale.edu [UCO/Lick Observatory and Department of Astronomy and Astrophysics, University of California, 1156 High Street, Santa Cruz, CA 95064 (United States)

    2014-12-10

    We present alpha element to iron abundance ratios, [?/Fe], for four stars in the outer stellar halo of the Andromeda Galaxy (M31). The stars were identified as high-likelihood field halo stars by Gilbert et al. and lie at projected distances between 70 and 140 kpc from M31's center. These are the first alpha abundances measured for a halo star in a galaxy beyond the Milky Way. The stars range in metallicity between [Fe/H] = 2.2 and [Fe/H] = 1.4. The sample's average [?/Fe] ratio is +0.20 0.20. The best-fit average value is elevated above solar, which is consistent with rapid chemical enrichment from Type II supernovae. The mean [?/Fe] ratio of our M31 outer halo sample agrees (within the uncertainties) with that of Milky Way inner/outer halo stars that have a comparable range of [Fe/H].

  3. FE Clean Coal News | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Clean Coal News FE Clean Coal News RSS June 3, 2016 U.S., Saudi Arabia Announce International Collaboration on Supercritical CO2 Tech Development The U. S. and the Kingdom of Saudi Arabia have announced the intention to establish an international consortium to promote the research, development, and demonstration (RD&D) of supercritical carbon dioxide (sCO2) power cycles. December 2, 2015 DOE Selects Projects To Enhance Its Research into Recovery of Rare Earth Elements from Coal and Coal

  4. fe0014055-CMU | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Measurements and Modeling to Quantify Emissions of Methane and VOCs from Shale Gas Operations Last Reviewed 6/13/2016 DE-FE0014055 Goal The goals of this project are to determine the leakage rates of methane and ozone-forming volatile organic carbons (VOCs) and the emission rates of air toxics from Marcellus Shale gas activities at a process level. Methane emissions in the Marcellus Shale region shall be differentiated between "newer" sources associated with shale gas development and

  5. fe0014066-battelle | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Development and Validation of an Acid Mine Drainage Treatment Process for Source Water Last Reviewed 12/11/2015 DE-FE00 14066 Goal The goal of this project is to research and optimize a Floatation Liquid-Liquid Extraction (FLLX) water treatment system to process and repurpose water of lesser quality, i.e., acid mine drainage (AMD water) for use in hydraulic fracturing (HF) operations and assess the feasibility of using the system byproducts for flowback water processing. The objectives of this

  6. fe0023495-usgs | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Natural Gas Hydrates in Permafrost and Marine Settings: Resources, Properties, and Environmental Issues Last Reviewed 5/27/2016 DE-FE0023495 Goal The objective of this DOE-USGS Interagency Agreement (IA) is to provide world-class expertise and research in support of the goals of the 2005 Energy Act for National Methane Hydrates R&D, the DOE-led U.S. interagency roadmap for gas hydrates research, and elements of the USGS mission related to energy resources, global climate, and geohazards.

  7. fe0024293-geglobal | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    nXis Well Integrity Inspection in Unconventional Wells Last Reviewed 6/13/2016 DE-FE0024293 Goal The goal of this project is to develop a novel well-integrity inspection system capable of providing enhanced information about the flaw structure and topology of conventional and unconventional gas-filled wells. This will be achieved by developing a novel combined X-ray/neutron backscatter imaging device, suitably sized for operation in well bores. Performers GE Global Inc., Niskayuna, NY Starfire

  8. fe0024314-swri | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Development and Field Testing Novel Natural Gas Surface Process Equipment for Replacement of Water as Primary Hydraulic Fracturing Fluid Last Reviewed 6/3/2016 DE-FE0024314 Goal The goal of this project is to develop and field test the use of readily available natural gas collected at the wellhead as a primary fracturing fluid. The work proposes to develop, validate, and demonstrate affordable non-water-based and non CO2-based stimulation technologies, which can be used instead of, or in tandem

  9. FE0005889_UTPermian | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Case Studies of the ROZ CO2 Flood and the Combined ROZ/MPZ CO2 Flood at the Goldsmith Landreth Unit, Ector County, Texas Last Reviewed 6/3/2016 DE-FE0005889 Goal The goal of the project is to assist in optimizing the technical and economic performance of a residual oil zone (ROZ) carbon dioxide (CO2) flood and transfer the knowledge to other operators. The objectives are to (1) characterize the main pay zone (MPZ) and ROZ within the ROZ pilot area, (2) conduct laboratory analyses and reservoir

  10. FE0005902-UTA | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Novel CO2 Foam Concepts and Injection Schemes for Improving CO2 Sweep Efficiency in Sandstone and Carbonate Hydrocarbon Formations Last Reviewed 6/12/2015 DE-FE0005902 Goal The goal of this project is to develop mobility control agents using surfactants injected with carbon dioxide (CO2) rather than with water for CO2 enhanced oil recovery (CO2-EOR) in heterogeneous carbonate and sandstone reservoirs. Objectives are to (1) reduce CO2 mobility in CO2 swept portions of the reservoir-but not at the

  11. FE0005917-UTA | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Use of Engineered Nanoparticle-stabilized CO2 Foams to Improve Volumetric Sweep of CO2 EOR Processes Last Reviewed 6/26/2014 DE-FE0005917 Goal The goal of this project is to develop a new carbon dioxide injection enhanced oil recovery (CO2-EOR) process using engineered nanoparticles with optimized surface coatings that has better volumetric sweep efficiency and a wider application range than conventional CO2-EOR processes. The objectives are to (1) identify the characteristics of the optimal

  12. FE0005958-Impact | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Improved Mobility Control in CO2 Enhanced Recovery Using SPI Gels Last Reviewed 12/8/2014 DE-FE0005958 Goal The goal of this project is to demonstrate the potential of using Silica Polymer Initiator-Carbon dioxide (SPI-CO2) gel systems for profile modifications in CO2 injection/ production wells. The objective is to advance SPI-CO2Enhanced Oil Recovery (EOR) gel technology by performing multiple small-scale field injectivity tests using both 'Huff & Puff' and conventional pattern flood

  13. FE0005979-NMIMT | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nanoparticle-stabilized CO2 Foam for CO2-EOR Application Last Reviewed 5/26/2015 DE-FE0005979 Goal The goal of this project is to develop and evaluate, through coreflood tests at reservoir conditions, a nanoparticle-stabilized carbon dioxide (CO2) foam system that can improve CO2 sweep efficiency in CO2 enhanced oil recovery (EOR) and minimize particle retention in the reservoir. Performer New Mexico Institute of Mining and Technology/Petroleum Recovery Research Center, Socorro, NM 87801-4681

  14. FE0006015-NITEC | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Full-featured, User Friendly CO2 EOR and Sequestration Planning Software Last Reviewed 12/30/2013 DE-FE0006015 Goal The goal of this project is to develop a full-featured, user friendly, carbon dioxide (CO2) enhanced oil recovery (EOR) and sequestration planning software system that will allow small- to mid-sized field operators to design and optimize CO2 EOR and sequestration operations in a short time frame. The objective is to develop a tool that includes all the significant physical and

  15. First endowed position created at Santa Fe Community College

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    First endowed position created at Santa Fe Community College Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: September 1, 2016 all issues All Issues » submit First endowed position created at Santa Fe Community College Early Childhood Center for Excellence director's position now funded. July 6, 2016 Santa Fe Community College's Early Childhood Center of Excellence Director Dr. Jennifer Duran-Sallee (left) gives a tour of the Kids

  16. Ru!fsa!!

    Office of Legacy Management (LM)

    ... l l more d e t a i l . , 1.1avc ,touched upon, is 1:e):f orn'.A on u s t e t i s t : i . c n l L>:isis t h a t i n c l u d e s a measuse of tlic sr:..:isln.ic da.i:a :;cat.::er. ...

  17. Melting and thermal expansion in the Fe-FeO system at high pressure

    SciTech Connect (OSTI)

    Seagle, C. T.; Heinz, D. L.; Campbell, A. J.; Prakapenka, V. B.; Wanless, S. T.

    2015-02-26

    Melting in the Fe–FeO system was investigated at pressures up to 93 GPa using synchrotron X-ray diffraction (XRD) and a laser heated diamond anvil cell (DAC). The criteria for melting were the disappearance of reflections associated with one of the end-member phases upon raising the temperature above the eutectic and the reappearance of those reflections on dropping the temperature below the eutectic. The Fe–FeO system is a simple eutectic at 50 GPa and remains eutectic to at least 93 GPa. The eutectic temperature was bound at several pressure points between 19 and 93 GPa, and in some cases the liquidus temperature was also determined. The eutectic temperature rises rapidly with pressure closely following the melting curve of pure Fe. A detailed phase diagram at 50 GPa is presented; the eutectic temperature is 2500 ± 150 K and the eutectic composition is bound between 7.6 ± 1.0 and 9.5 ± 1.0 wt.% O. The coefficient of thermal expansion of FeO is a strong function of volume and decreases with pressure according to a simple power law.

  18. Exponentially decaying magnetic coupling in sputtered thin film FeNi/Cu/FeCo trilayers

    SciTech Connect (OSTI)

    Wei, Yajun Akansel, Serkan; Thersleff, Thomas; Brucas, Rimantas; Lansaker, Pia; Leifer, Klaus; Svedlindh, Peter; Harward, Ian; Celinski, Zbigniew; Ranjbar, Mojtaba; Dumas, Randy K.; Jana, Somnath; Pogoryelov, Yevgen; Karis, Olof; Åkerman, Johan

    2015-01-26

    Magnetic coupling in trilayer films of FeNi/Cu/FeCo deposited on Si/SiO{sub 2} substrates have been studied. While the thicknesses of the FeNi and FeCo layers were kept constant at 100 Å, the thickness of the Cu spacer was varied from 5 to 50 Å. Both hysteresis loop and ferromagnetic resonance results indicate that all films are ferromagnetically coupled. Micromagnetic simulations well reproduce the ferromagnetic resonance mode positions measured by experiments, enabling the extraction of the coupling constants. Films with a thin Cu spacer are found to be strongly coupled, with an effective coupling constant of 3 erg/cm{sup 2} for the sample with a 5 Å Cu spacer. The strong coupling strength is qualitatively understood within the framework of a combined effect of Ruderman-Kittel-Kasuya-Yosida and pinhole coupling, which is evidenced by transmission electron microscopy analysis. The magnetic coupling constant surprisingly decreases exponentially with increasing Cu spacer thickness, without showing an oscillatory thickness dependence. This is partially connected to the substantial interfacial roughness that washes away the oscillation. The results have implications on the design of multilayers for spintronic applications.

  19. Fe Atomic Data for Non-equilibrium Ionization Plasmas Eriksen...

    Office of Scientific and Technical Information (OSTI)

    Fe Atomic Data for Non-equilibrium Ionization Plasmas Eriksen, Kristoffer A. Los Alamos National Laboratory; Fontes, Christopher J. Los Alamos National Laboratory; Colgan,...

  20. Microbial Lithotrophic Oxidation of Structural Fe(II) in Biotite...

    Office of Scientific and Technical Information (OSTI)

    of the growth yield of lithoautotrophic circumneutral-pH Fe(II)-oxidizing bacteria. ... Subject: 54 ENVIRONMENTAL SCIENCES; AQUIFERS; BACTERIA; BIOTITE; IRON; MICA; ...

  1. Thermal conductivity and diffusion-mediated localization in Fe1...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Thermal conductivity and diffusion-mediated localization in Fe1-xCrx alloys from first principles Citation Details In-Document Search Title: Thermal conductivity ...

  2. Electromagnetic absorption properties of graphene/Fe nanocomposites...

    Office of Scientific and Technical Information (OSTI)

    were prepared by a facile and green method. * 10 nm Fe nanoparticles were ... Country of input: International Atomic Energy Agency (IAEA) Country of Publication: ...

  3. Santa Fe Oversize/Overweight Permit Application | Open Energy...

    Open Energy Info (EERE)

    Reference LibraryAdd to library Legal Document- Permit ApplicationPermit Application: Santa Fe OversizeOverweight Permit ApplicationLegal Published NA Year Signed or Took...

  4. Engineering Multimetallic FePt-based nanowires for enhancing...

    Office of Scientific and Technical Information (OSTI)

    and methanol oxidation reactions Citation Details In-Document Search Title: Engineering Multimetallic FePt-based nanowires for enhancing oxygen reduction and methanol oxidation ...

  5. Phase coexistence in the Fe-Nd system

    SciTech Connect (OSTI)

    Cabral, F.A.O.; Gama, S. , Caixa Postal 6165, 13081 Campinas, Sao Paulo )

    1989-01-01

    The authors discuss phase coexistence in the Fe-Nd binary system investigated by metallography, x-ray diffractometry, electron microprobe analysis, and differential thermal analysis. The technique of diffusion couples also has been used. The Fe/sub 17/Nd/sub 2/ compound is peritectically formed at 1185{sup 0}C and the eutectic reaction is L {yields} Fe/sub 17/Nd/sub 2/ + Nd/sup */, occurring at 670{sup 0}C; the Fe/sub 2/Nd phase was not found. A double thermal arrest is observed at the eutectic temperature and its origin is not well understood yet.

  6. Nanoimprint-lithography Patterned Epitaxial Fe Nanowire Arrays...

    Office of Scientific and Technical Information (OSTI)

    epitaxial Fe nanowire arrays on MgO(001) substrates by nanoimprint lithography with a direct metallization of epitaxial materials through a metallic mask, which avoided the...

  7. Santa Fe New Mexican: For cybersecurity, in quantum encryption...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    For cybersecurity, in quantum encryption we trust Santa Fe New Mexican: For cybersecurity, in quantum encryption we trust Los Alamos physicists developed a quantum random number...

  8. Building operator certification offered in Santa Fe next year

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The coursework is provided by the Santa Fe Community College's Center of Excellence in Green Building and Energy Efficiency. January 1, 2013 dummy image Read our archives. Contacts ...

  9. Los Alamos National Security invests in Santa Fe Community College...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Los Alamos National Security invests in Santa Fe Community College Foundation The new center is an educational and training facility for alternative energy and green jobs. July 16, ...

  10. Spin and charge transport in double-junction Fe/MgO/GaAs/MgO/Fe heterostructures

    SciTech Connect (OSTI)

    Wolski, S. Szczepa?ski, T.; Dugaev, V. K.; Barna?, J.; Landgraf, B.; Slobodskyy, T.; Hansen, W.

    2015-01-28

    We present theoretical and experimental results on tunneling current in single Fe/MgO/GaAs and double Fe/MgO/GaAs/MgO/Fe tunnel junctions. The charge and spin currents are calculated as a function of external voltage for different sets of parameters characterizing the semiconducting GaAs layer. Transport characteristics of a single Fe/MgO/GaAs junction reveal typical diode as well as spin diode features. The results of numerical calculations are compared with current-voltage characteristics measured experimentally for double tunnel junction structures, and a satisfactory agreement of the theoretical and experimental results has been achieved.

  11. Local structure of Fe in Fe-doped misfit-layered calcium cobaltite: An X-ray absorption spectroscopy study

    SciTech Connect (OSTI)

    Prasoetsopha, Natkrita; Pinitsoontorn, Supree; Bootchanont, Atipong; Kidkhunthod, Pinit; Srepusharawoot, Pornjuk; Kamwanna, Teerasak; Amornkitbamrung, Vittaya; Kurosaki, Ken; Yamanaka, Shinsuke

    2013-08-15

    Polycrystalline Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?} ceramics (x=0, 0.01, 0.03, 0.05) were fabricated using a simple thermal hydro-decomposition method and a spark plasma sintering technique. Thermoelectric property measurements showed that increasing Fe concentration resulted in a decrease in electrical resistivity, thermopower and thermal conductivity, leading to an improvement in the dimensionless figure-of-merit, >35% for x=0.05 at 1073 K. An X-ray absorption spectroscopy technique was used to investigate the local structure of Fe ions in the Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?} structure for the first time. By fitting data from the extended X-ray absorption fine structure (EXAFS) spectra and analyzing the X-ray absorption near-edge structure (XANES) spectra incorporated with first principle simulation, it was shown that Fe was substituted for Co in the the Ca{sub 2}CoO{sub 3} (rocksalt, RS) layer rather than in the CoO{sub 2} layer. Variation in the thermoelectric properties as a function of Fe concentration was attributed to charge transfer between the CoO{sub 2} and the RS layers. The origin of the preferential Fe substitution site was investigated considering the ionic radii of Co and Fe and the total energy of the system. - Graphical abstract: The Fe K-edge XANES spectra of: (a) experimental result in comparison to the simulated spectra when Fe atoms were substituted in the RS layer; (b) with magnetic moment; (c) without magnetic moment, and in the CoO{sub 2} layer; (d) with magnetic moment and (e) without magnetic moment. Highlights: Synthesis, structural studies, and thermoelectric properties of Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?}. Direct evidence for the local structure of the Fe ions in the Ca{sub 3}Co{sub 4?x}Fe{sub x}O{sub 9+?} using XAS analysis. EXAFS and XANES analysis showed that Fe was likely to be situated in the RS layer structure. Changes in TE property with Fe content was due to charge transfer between the CoO{sub 2} and

  12. Photovoltaic properties of Aurivillius phase Bi{sub 5}FeTi{sub 3}O{sub 15} thin films grown by pulsed laser deposition

    SciTech Connect (OSTI)

    Kooriyattil, Sudheendran; Katiyar, Rajesh K.; Pavunny, Shojan P. E-mail: shojanpp@gmail.com; Morell, Gerardo; Katiyar, Ram S. E-mail: shojanpp@gmail.com

    2014-08-18

    We report a remarkable photovoltaic effect in pulsed laser deposited multiferroic aurivillius phase Bi{sub 5}FeTi{sub 3}O{sub 15} (BFTO) thin films sandwiched between ZnO:Al transparent conductive oxide top electrode and SrRuO{sub 3} bottom electrode fabricated on amorphous fused silica substrates. The structural and micro structural properties of these films were analysed by X-ray diffraction and atomic force microscopy techniques. The films were showing a photo sensitive ferroelectric behaviour with a notable apparent polarization in the range of 1015??C/cm{sup 2}. These films also exhibited a switchable photo-response and this parameter was observed to be sensitive to polarisation field and the polarization direction. The device shows a large ON/OFF photo current ratio with an open circuit voltage of 0.14?V. The photo response at zero bias of this BFTO based heterostructures showed rapid increase to a saturation value of 6??A at zero bias.

  13. Photoinduced reduction of surface states in Fe:ZnO

    SciTech Connect (OSTI)

    Knut, R. Palmgren, P.; Karis, O.; Lagerqvist, U.; Pohl, A.; Pal, P.; Svedlindh, P.

    2015-05-28

    We report on the electronic structure of nano-crystalline Fe:ZnO, which has recently been found to be an efficient photocatalyst. Using resonant photoemission spectroscopy, we determine the binding energy of Fe 3d states corresponding to different valencies and coordination of the Fe atoms. The photo-activity of ZnO reduces Fe from 3+ to 2+ in the surface region of the nano-crystalline material due to the formation of oxygen vacancies. Electronic states corresponding to low-spin Fe{sup 2+} are observed and attributed to crystal field modification at the surface. These states are potentially important for the photocatalytic sensitivity to visible light due to their location deep in the ZnO bandgap. X-ray absorption and x-ray photoemission spectroscopy suggest that Fe is only homogeneously distributed for concentrations up to 3%. Increased concentrations does not result in a higher concentration of Fe ions in the surface region. This is limiting the photocatalytic functionality of ZnO, where the most efficient Fe doping concentration has been shown to be 1%-4%.

  14. Local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6] probed with implanted muons

    SciTech Connect (OSTI)

    Lancaster, T.; Pratt, F. L.; Blundell, S. J.; Steele, Andrew J.; Baker, Peter J.; Wright, Jack D.; Fishman, Randy Scott; Miller, Joel S.

    2011-01-01

    We present a muon-spin relaxation study of local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6]. We observe magnetic order with TN = 33 K, although above 25 K the sublattice spins become less rigid and a degree of static magnetic disorder is observed. The comparison of measurements in applied magnetic field with simulations allows us to understand the origin of the muon response across the metamagnetic transition and to map out the phase diagram of the material. Applied hydrostatic pressures of up to 6 kbar lead to an increase in the local magnetic field along with a complex change in the internal magnetic field distribution.

  15. Dopant-Induced Nanoscale Electronic Inhomogeneities in Ca2-xSrxRuO4

    SciTech Connect (OSTI)

    Zhang, Jiandi; Ismail, #; Moore, R. G.; Wang, S. -C.; Ding, H.; Jin, Rongying; Mandrus, David; Plummer, E Ward

    2006-01-01

    Ca{sub 2-x}Sr{sub x}RuO{sub 4} single crystals with 0.1 {le} x {le} 2.0 have been studied systematically using scanning tunneling microscopy (STM) and spectroscopy, low-energy electron diffraction, and angle resolved photoelectron spectroscopy (ARPES). In contrast with the well-ordered lattice structure, the local density of states at the surface clearly shows a strong doping dependent nanoscale electronic inhomogeneity, regardless of the fact of isovalent substitution. Remarkably, the surface electronic roughness measured by STM and the inverse spectral weight of quasiparticle states determined by ARPES are found to vary with x in the same manner as the bulk in-plane residual resistivity, following the Nordheim rule. For the first time, the surface measurements - especially those with STM - are shown to be in good agreement with the bulk transport results, all clearly indicating a doping-induced electronic disorder in the system.

  16. Delocalized Molecular Orbitals of the [6Fe-6S] Cluster of the...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Delocalized Molecular Orbitals of the 6Fe-6S Cluster of the FeFe-Hydrogenase Hydrogenases catalyze the stoichiometrically simple (H2 2 H+ + 2 e-), but energetically difficult...

  17. F.E. Warren Air Force Base Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    F.E. Warren Air Force Base Wind Farm Jump to: navigation, search Name F.E. Warren Air Force Base Wind Farm Facility F.E. Warren Air Force Base Sector Wind energy Facility Type...

  18. Bulk amorphous steels based on Fe alloys

    DOE Patents [OSTI]

    Lu, ZhaoPing; Liu, Chain T.

    2006-05-30

    A bulk amorphous alloy has the approximate composition: Fe.sub.(100-a-b-c-d-e)Y.sub.aMn.sub.bT.sub.cM.sub.dX.sub.e wherein: T includes at least one of the group consisting of: Ni, Cu, Cr and Co; M includes at least one of the group consisting of W, Mo, Nb, Ta, Al and Ti; X includes at least one of the group consisting of Co, Ni and Cr; a is an atomic percentage, and a<5; b is an atomic percentage, and b.ltoreq.25; c is an atomic percentage, and c.ltoreq.25; d is an atomic percentage, and d.ltoreq.25; and e is an atomic percentage, and 5.ltoreq.e.ltoreq.30.

  19. Elucidating hydrogen oxidation/evolution kinetics in base and acid by enhanced activities at the optimized Pt shell thickness on the Ru core

    SciTech Connect (OSTI)

    Elbert, Katherine; Hu, Jue; Ma, Zhong; Zhang, Yu; Chen, Guangyu; An, Wei; Liu, Ping; Isaacs, Hugh S.; Adzic, Radoslav R.; Wang, Jia X.

    2015-10-05

    Hydrogen oxidation and evolution on Pt in acid are facile processes, while in alkaline electrolytes, they are 2 orders of magnitude slower. Thus, developing catalysts that are more active than Pt for these two reactions is important for advancing the performance of anion exchange membrane fuel cells and water electrolyzers. Herein, we detail a 4-fold enhancement of Pt mass activity that we achieved using single-crystalline Ru@Pt core–shell nanoparticles with two-monolayer-thick Pt shells, which doubles the activity on Pt–Ru alloy nanocatalysts. For Pt specific activity, the two- and one-monolayer-thick Pt shells exhibited enhancement factors of 3.1 and 2.3, respectively, compared to the Pt nanocatalysts in base, differing considerably from the values of 1 and 0.4, respectively, in acid. To explain such behavior and the orders of magnitude difference in activity on going from acid to base, we performed kinetic analyses of polarization curves over a wide range of potential from –250 to 250 mV using the dual-pathway kinetic equation. From acid to base, the activation free energies increase the most for the Volmer reaction, resulting in a switch of the rate-determining step from the Tafel to the Volmer reaction, and a shift to a weaker optimal hydrogen binding energy. Furthermore, the much higher activation barrier for the Volmer reaction in base than in acid is ascribed to one or both of the two catalyst-insensitive factors: slower transport of OH than H+ in water and a stronger O–H bond in water molecules (HO–H) than in hydrated protons (H2O–H+).

  20. Elucidating hydrogen oxidation/evolution kinetics in base and acid by enhanced activities at the optimized Pt shell thickness on the Ru core

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Elbert, Katherine; Hu, Jue; Ma, Zhong; Zhang, Yu; Chen, Guangyu; An, Wei; Liu, Ping; Isaacs, Hugh S.; Adzic, Radoslav R.; Wang, Jia X.

    2015-10-05

    Hydrogen oxidation and evolution on Pt in acid are facile processes, while in alkaline electrolytes, they are 2 orders of magnitude slower. Thus, developing catalysts that are more active than Pt for these two reactions is important for advancing the performance of anion exchange membrane fuel cells and water electrolyzers. Herein, we detail a 4-fold enhancement of Pt mass activity that we achieved using single-crystalline Ru@Pt core–shell nanoparticles with two-monolayer-thick Pt shells, which doubles the activity on Pt–Ru alloy nanocatalysts. For Pt specific activity, the two- and one-monolayer-thick Pt shells exhibited enhancement factors of 3.1 and 2.3, respectively, compared tomore » the Pt nanocatalysts in base, differing considerably from the values of 1 and 0.4, respectively, in acid. To explain such behavior and the orders of magnitude difference in activity on going from acid to base, we performed kinetic analyses of polarization curves over a wide range of potential from –250 to 250 mV using the dual-pathway kinetic equation. From acid to base, the activation free energies increase the most for the Volmer reaction, resulting in a switch of the rate-determining step from the Tafel to the Volmer reaction, and a shift to a weaker optimal hydrogen binding energy. Furthermore, the much higher activation barrier for the Volmer reaction in base than in acid is ascribed to one or both of the two catalyst-insensitive factors: slower transport of OH– than H+ in water and a stronger O–H bond in water molecules (HO–H) than in hydrated protons (H2O–H+).« less

  1. Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

    2015-06-12

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed intomore » the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.« less

  2. Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

    SciTech Connect (OSTI)

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

    2015-06-12

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed into the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.

  3. Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

    SciTech Connect (OSTI)

    Sode, Olaseni; Voth, Gregory A.

    2014-12-14

    Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A{sup 2?}, a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A{sup 2-} by closing a cavity that could otherwise fill with water near the proximal Fe of the active site.

  4. Thermodynamic Properties of α-Fe2O3 and Fe3O4 Nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Spencer, Elinor C.; Ross, Nancy L.; Olsen, Rebecca E.; Huang, Baiyu; Kolesnikov, Alexander I.; Woodfield, Brian F.

    2015-04-21

    Here we comprehansively assessed the thermodynamic properties of hydrated α-Fe2O3 (hematite) and Fe3O4 (magnetite) nanoparticles. In addition to 9 nm Fe3O4, three α-e2O3nanoparticles samples of different sizes (11, 14, and 25 nm) and bulk α-e2O3 have been evaluated by inelastic neutron scattering methods. The contribution of the two-level magnetic spin flip transition to the heat capacity of the α-e2O3 particles has been determined. The isochoric heat capacity of the water confined on the surface of these two types of iron oxide particles have been calculated from their INS spectra, and is affected by the chemical composition of the underlying particle.more » Furthermore, the heat capacity and dynamics of the particle hydration layers appear to be influenced by a complex array of factors including particle size, water coverage, and possibly the magnetic state of the particle itself.« less

  5. Stability of precipitate phases in Fe-rich Fe-Cr-Ni-Mo alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T

    2015-01-01

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the and phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. Two key findings resulted from this work. One is that the phase is stable at high temperature and transformed into the phase at lowmoretemperature. The other is that both the and phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.less

  6. Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

    SciTech Connect (OSTI)

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

    2015-06-12

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed into the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.

  7. In situ observation of defect annihilation in Kr ion-irradiated bulk Fe/amorphous-Fe 2 Zr nanocomposite alloy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yu, K. Y.; Fan, Z.; Chen, Y.; Song, M.; Liu, Y.; Wang, H.; Kirk, M. A.; Li, M.; Zhang, X.

    2014-08-26

    Enhanced irradiation tolerance in crystalline multilayers has received significant attention lately. However, little is known on the irradiation response of crystal/amorphous nanolayers. We report on in situ Kr ion irradiation studies of a bulk Fe96Zr4 nanocomposite alloy. Irradiation resulted in amorphization of Fe2Zr and formed crystal/amorphous nanolayers. α-Fe layers exhibited drastically lower defect density and size than those in large α-Fe grains. In situ video revealed that mobile dislocation loops in α-Fe layers were confined by the crystal/amorphous interfaces and kept migrating to annihilate other defects. This study provides new insights on the design of irradiation-tolerant crystal/amorphous nanocomposites.

  8. The Effects of Hydrocarbons on NOx Reduction over Fe-based SCR...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    and NOx reduction over a commercial Fe-zeolite SCR catalyst to understand catalyst ... Hydrocarbon Inhibition and HC Storage Modeling in Fe-Zeolite Catalysts for HD Diesel ...

  9. Magnetism in Na-filled Fe-based skutterudites

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; Ma, Yanming; Shi, Hongliang; Singh, David J.

    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. NaFe4Sb12 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 a material nearmore » an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form.« less

  10. Magnetism in Na-filled Fe-based skutterudites

    SciTech Connect (OSTI)

    Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; Ma, Yanming; Shi, Hongliang; Singh, David J.

    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. NaFe4Sb12 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 a material near an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form.

  11. FE Welcomes 2016 Mickey Leland Energy Fellowship Interns | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy FE Welcomes 2016 Mickey Leland Energy Fellowship Interns FE Welcomes 2016 Mickey Leland Energy Fellowship Interns June 14, 2016 - 9:25am Addthis 2016 Mickey Leland Energy Fellowship interns participating in a discussion during the June 13 kick-off event in Washington, D.C. 2016 Mickey Leland Energy Fellowship interns participating in a discussion during the June 13 kick-off event in Washington, D.C. The Office of Fossil Energy's (FE) Mickey Leland Energy Fellowship (MLEF) kicked off

  12. Accelerated decarburization of Fe-C metal alloys

    DOE Patents [OSTI]

    Pal, Uday B.; Sadoway, Donald R.

    1997-01-01

    A process for improving the rate of metal production and FeO utilization in a steelmaking process or a process combining iron-making and steelmaking in a single reactor that uses or generates Fe-C metal alloy droplets submerged in an FeO-containing slag. The process involves discharging a charge build-up (electron accumulation) in the slag at the slag-metal alloy interface by means of an electron conductor connected between the metal alloy droplets and a gas at a gas-slag interface, said gas having an oxygen partial pressure of at least about 0.01 atmosphere.

  13. Accelerated decarburization of Fe-C metal alloys

    DOE Patents [OSTI]

    Pal, U.B.; Sadoway, D.R.

    1997-05-27

    A process is described for improving the rate of metal production and FeO utilization in a steelmaking process or a process combining iron-making and steelmaking in a single reactor that uses or generates Fe-C metal alloy droplets submerged in an FeO-containing slag. The process involves discharging a charge build-up (electron accumulation) in the slag at the slag-metal alloy interface by means of an electron conductor connected between the metal alloy droplets and a gas at a gas-slag interface, said gas having an oxygen partial pressure of at least about 0.01 atmosphere. 2 figs.

  14. Itinerant magnetism in metallic CuFe2Ge2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shanavas, K. V.; Singh, David J.; He, Ruihua

    2015-03-25

    Theoretical calculations are performed to understand the electronic structure and magnetic properties of CuFe2Ge2. The band structure reveals large electron density N(EF) at the Fermi level suggesting a strong itinerant character of magnetism. The Fermi surface is dominated by two dimensional sheet like structures, with potentially strong nesting between them. The magnetic ground state appears to be ferromagnetic along a and antiferromagnetic in other directions. The results show that CuFe2Ge2 is an antiferromagnetic metal, with similarities to the Fe-based superconductors; such as magnetism with substantial itinerant character and coupling between magnetic order and electrons at the Fermi energy.

  15. Magnetic and structural properties of ferromagnetic Fe5PB2 and Fe5SiB2 and effects of Co and Mn substitutions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    McGuire, Michael A.; Parker, David S.

    2015-10-22

    Crystallographic and magnetic properties of Fe5PB2, Fe4CoPB2, Fe4MnPB2, Fe5SiB2, Fe4CoSiB2, and Fe4MnSiB2 are reported. All adopt the tetragonal Cr5B3 structure-type and are ferromagnetic at room temperature with easy axis of magnetization along the c-axis. The spin reorientation in Fe5SiB2 is observed as an anomaly in the magnetization near 170 K, and is suppressed by substitution of Co or Mn for Fe. The silicides are found to generally have larger magnetic moments than the phosphides, but the data suggests smaller magnetic anisotropy in the silicides. Cobalt substitution reduces the Curie temperatures by more than 100 K and ordered magnetic moments bymore » 16-20%, while manganese substitution has a much smaller effect. This suggests Mn moments align ferromagnetically with the Fe and that Co does not have an ordered moment in these structures. Anisotropic thermal expansion is observed in Fe5PB2 and Fe5SiB2, with negative thermal expansion seen along the c-axis of Fe5SiB2. First principles calculations of the magnetic properties of Fe5SiB2 and Fe4MnSiB2 are reported. The results, including the magnetic moment and anisotropy, and are in good agreement with experiment.« less

  16. Synthesis and properties of titanomagnetite (Fe3-xTixO4) nanoparticles: A tunable solid-state Fe(II/III) redox system

    SciTech Connect (OSTI)

    Pearce, Carolyn I.; Qafoku, Odeta; Liu, Juan; Arenholz, Elke; Heald, Steve M.; Kukkadapu, Ravi K.; Gorski, Christopher A.; Henderson, C. Michael B.; Rosso, Kevin M.

    2012-12-01

    Titanomagnetite (Fe3-xTixO4) nanoparticles were synthesized by room temperature aqueous precipitation, in which Ti(IV) replaces Fe(III) and is charge compensated by conversion of Fe(III) to Fe(II) in the unit cell. A comprehensive suite of tools was used to probe composition, structure, and magnetic properties down to site-occupancy level, emphasizing distribution and accessibility of Fe(II) as a function of x. Synthesis of nanoparticles in the range 0 ? x ? 0.6 was attempted; Ti, total Fe and Fe(II) content were verified by chemical analysis. TEM indicated homogeneous spherical 10 12 nm particles. ?-XRD and Mssbauer spectroscopy on anoxic aqueous suspensions verified the inverse spinel structure and Ti(IV) incorporation in the unit cell up to x ? 0.38, based on Fe(II)/Fe(III) ratio deduced from the unit cell edge and Mssbauer spectra. Nanoparticles with a higher value of x possessed a minor amorphous secondary Fe(II)/Ti(IV) phase. XANES/EXAFS indicated Ti(IV) incorporation in the octahedral sublattice (B-site) and proportional increases in Fe(II)/Fe(III) ratio. XA/XMCD indicate these increases arise from increasing B-site Fe(II), and that these charge-balancing equivalents segregate to those B-sites near particle surfaces. Dissolution studies showed that this segregation persists after release of Fe(II) into solution, in amounts systematically proportional to x and thus the Fe(II)/Fe(III) ratio. A mechanistic reaction model was developed entailing mobile B-site Fe(II) supplying a highly interactive surface phase that undergoes interfacial electron transfer with oxidants in solution, sustained by outward Fe(II) migration from particle interiors and concurrent inward migration of charge-balancing cationic vacancies in a ratio of 3:1.

  17. Interstitial loop transformations in FeCr

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; Xu, Haixuan

    2015-03-27

    Here, we improve the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) algorithm by integrating the Activation Relaxation Technique nouveau (ARTn), a powerful open-ended saddle-point search method, into the algorithm. We use it to investigate the reaction of 37-interstitial 1/2[1 1 1] and 1/2[View the MathML source] loops in FeCr at 10 at.% Cr. They transform into 1/2[1 1 1], 1/2[View the MathML source], [1 0 0] and [0 1 0] 74-interstitial clusters with an overall barrier of 0.85 eV. We find that Cr decoration locally inhibits the rotation of crowdions, which dictates the final loop orientation. Moreover, the final loop orientationmore » depends on the details of the Cr decoration. Generally, a region of a given orientation is favored if Cr near its interface with a region of another orientation is able to inhibit reorientation at this interface more than the Cr present at the other interfaces. Also, we find that substitutional Cr atoms can diffuse from energetically unfavorable to energetically favorable sites within the interlocked 37-interstitial loops conformation with barriers of less than 0.35 eV.« less

  18. ELECTRON-ION RECOMBINATION OF Fe XII FORMING Fe XI: LABORATORY MEASUREMENTS AND THEORETICAL CALCULATIONS

    SciTech Connect (OSTI)

    Novotny, O.; Hahn, M.; Lestinsky, M.; Savin, D. W.; Badnell, N. R.; Bernhardt, D.; Mueller, A.; Schippers, S.; Grieser, M.; Krantz, C.; Repnow, R.; Wolf, A.

    2012-07-01

    We have measured electron-ion recombination for Fe XII forming Fe XI using a merged-beam configuration at the heavy-ion storage ring TSR located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. The measured merged-beam recombination rate coefficient (MBRRC) for collision energies from 0 to 1500 eV is presented. This work uses a new method for determining the absolute MBRRC based on a comparison of the ion beam decay rate with and without the electron beam on. For energies below 75 eV, the spectrum is dominated by dielectronic recombination (DR) resonances associated with 3s {yields} 3p and 3p {yields} 3d core excitations. At higher energies, we observe contributions from 3 {yields} N' and 2 {yields} N' core excitation DR. We compare our experimental results to state-of-the-art multi-configuration Breit-Pauli (MCBP) calculations and find significant differences, both in resonance energies and strengths. We have extracted the DR contributions from the measured MBRRC data and transformed them into a plasma recombination rate coefficient (PRRC) for temperatures in the range of 10{sup 3}-10{sup 7} K. We show that the previously recommended DR data for Fe XII significantly underestimate the PRRC at temperatures relevant for both photoionized plasmas (PPs) and collisionally ionized plasmas (CPs). This is contrasted with our MCBP PRRC results, which agree with the experiment to within 30% at PP temperatures and even better at CP temperatures. We find this agreement despite the disagreement shown by the detailed comparison between our MCBP and experimental MBRRC results. Last, we present a simple parameterized form of the experimentally derived PRRC for easy use in astrophysical modeling codes.

  19. DE-FE0012829 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Test of a Nanoporous, Super-hydrophobic Membrane Contactor Process for Post-combustion CO2 Capture Project No.: DE-FE0012829 GTI is building a 1 MWe equivalent pilot-scale CO2...

  20. Interdiffusion in nanometric Fe/Ni multilayer films

    SciTech Connect (OSTI)

    Liu, JX; Barmak, K

    2015-03-01

    Fe (3.1 nm)/Ni (3.3 nm)](20) multilayer films were prepared by DC magnetron sputtering onto oxidized Si(100) substrates. The Fe and Ni layers were shown to both be face-centered cubic by x-ray diffraction. Interdiffusion of the Fe and Ni layers in the temperature range of 300-430 degrees C was studied by x-ray reflectivity. From the decay of the integral intensity of the superlattice peak, the activation energy and the pre-exponential term for the effective interdiffusion coefficient were determined as to 1.06 +/- 0.07 eV and 5 x 10(-10) cm(2)/s, respectively. The relevance of the measured interdiffusion coefficient to the laboratory timescale synthesis of L1(0) ordered FeNi as a rare-earth free permanent magnet is discussed. (C) 2015 American Vacuum Society.

  1. FE's Ultra-Deepwater Program focuses on spill prevention, safety...

    Energy Savers [EERE]

    Nearly everyone recognizes that prudent development of domestic oil and natural gas ... Managed by FE's Office of Oil and Natural Gas with the support of NETL, the UDW program's ...

  2. FE FY 2016 BUDGET REQUEST PRESENTATION | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    6budgetrollout 2-2-15.pdf More Documents & Publications FE FY 2015 Budget Request Presentation Fossil Energy FY 2013 Budget-in-Brief Fossil Energy FY 2015 Budget in Brief...

  3. SEAONE GULFPORT, LLC- FE DKT NO. 16-22-CGL

    Broader source: Energy.gov [DOE]

    The Office of Fossil Energy (FE) of the Department of Energy (DOE) gives notice of receipt of an application (Application), filed on September 18, 2015, by SeaOne Gulfport, LLC (SeaOne), requesting...

  4. FE Budget-in-Brief FY 2014 | Department of Energy

    Energy Savers [EERE]

    Fossil Energy Budget-in-Brief for FY 2014 (641.19 KB) More Documents & Publications Fossil Energy FY 2015 Budget in Brief Fossil Energy FY 2013 Budget-in-Brief FE FY 2017 BUDGET ...

  5. fe0013531-Oregon-State | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Assessing the Response of Methane Hydrates to Environmental Change at the Svalbad Continental Margin Last Reviewed 1242015 DE-FE0013531 Goal The project goal is to study the...

  6. Santa Fe Springs, California: Energy Resources | Open Energy...

    Open Energy Info (EERE)

    Hide Map This article is a stub. You can help OpenEI by expanding it. Santa Fe Springs is a city in Los Angeles County, California. It falls under California's...

  7. Santa Fe, Texas: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Hide Map This article is a stub. You can help OpenEI by expanding it. Santa Fe is a city in Galveston County, Texas. It falls under Texas's 22nd congressional...

  8. Eldorado at Santa Fe, New Mexico: Energy Resources | Open Energy...

    Open Energy Info (EERE)

    at Santa Fe, New Mexico: Energy Resources Jump to: navigation, search Equivalent URI DBpedia Coordinates 35.526365, -105.93424 Show Map Loading map... "minzoom":false,"mapping...

  9. Startup Funding Forum on October 18 in Santa Fe

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2015-Jan. 2016 all issues All Issues submit Startup Funding Forum on October 18 in Santa Fe Coronado Ventures Forum will present "Early-Stage Fundraising Options for Founders...

  10. Rancho Santa Fe, California: Energy Resources | Open Energy Informatio...

    Open Energy Info (EERE)

    Hide Map This article is a stub. You can help OpenEI by expanding it. Rancho Santa Fe is a census-designated place in San Diego County, California.1 Registered Energy...

  11. DE-FE0012862 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Novel Flow Sheet for Low Energy CO2 Capture Enabled by Biocatalyst Delivery System Project No.: DE-FE0012862 Akermin is conducting laboratory and integrated bench-scale pilot...

  12. BOSTON GAS COMPANY- FE DKT. 16-50-LNG

    Broader source: Energy.gov [DOE]

    Boston Gas Company (DOE/FE Dkt. No. 16-50-LNG) - The Office of Fossil Energy gives notice of receipt of an Application filed April 11, 2016 by Boston Gas Company d/b/a National Grid (Boston Gas),...

  13. Optical Absorption and Spectral Photoconductivity in α-(Fe1...

    Office of Scientific and Technical Information (OSTI)

    The onset of -Fe2O3 photoconductivity can be reduced by nearly 0.5 eV through addition of Cr. Authors: Chamberlin, Sara E. 1 ; Wang, Yong 1 ; Lopata, Kenneth A. 1 ; ...

  14. FE DOCKET NO. 11-59-LNG | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    DOCKET NO. 11-59-LNG FE DOCKET NO. 11-59-LNG ORDER NO. 3324 CONDITIONALLY GRANTING LONG-TERM MULTI-CONTRACT AUTHORIZATION TO EXPORT LIQUEFIED NATURAL GAS BY VESSEL FROM THE LAKE ...

  15. American LNG Marketing, LLC- FE Dkt. 16-33-LNG

    Office of Energy Efficiency and Renewable Energy (EERE)

    The Office of Fossil Energy (FE) of the Department of Energy (DOE) gives notice of receipt of an application (Application), filed on March 8, 2016, by American LNG Marketing, LLC, (American LNG) ...

  16. Electrochemical Model of the Fe/V Redox Flow Battery

    SciTech Connect (OSTI)

    Stephenson, David E.; Kim, Soowhan; Chen, Feng; Thomsen, Edwin C.; Viswanathan, Vilayanur V.; Wang, Wei; Sprenkle, Vincent L.

    2012-11-05

    This paper presents a mathematical model for the new Fe/V redox flow battery chemistry. The model is designed to be useful for stack development and cost analysis purposes.

  17. DE-FE0012926 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    An Advanced Catalytic Solvent for Lower Cost Post-Combustion CO2 Capture in a Coal-fired Power Plant Project No.: DE-FE0012926 The University of Kentucky is testing an advanced ...

  18. Santa Fe Community College offers new welding program

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Santa Fe Community College Offers Welding Program Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: September 1, 2016 all issues All Issues » submit Santa Fe Community College offers new welding program The new programs are financially supported by the LANS which anticipates an increased need for welders for construction programs scheduled during the next 15 years. January 1, 2013 dummy image Read our archives Contacts Editor Linda

  19. Voltage modulation of propagating spin waves in Fe

    SciTech Connect (OSTI)

    Nawaoka, Kohei; Shiota, Yoichi; Miwa, Shinji; Tamura, Eiiti; Tomita, Hiroyuki; Mizuochi, Norikazu; Shinjo, Teruya; Suzuki, Yoshishige

    2015-05-07

    The effect of a voltage application on propagating spin waves in single-crystalline 5?nm-Fe layer was investigated. Two micro-sized antennas were employed to excite and detect the propagating spin waves. The voltage effect was characterized using AC lock-in technique. As a result, the resonant field of the magnetostatic surface wave in the Fe was clearly modulated by the voltage application. The modulation is attributed to the voltage induced magnetic anisotropy change in ferromagnetic metals.

  20. Los Alamos National Security invests in Santa Fe Community College

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    invests in Santa Fe Community College Foundation July 16, 2009 College plans Sustainable Technology Center Los Alamos, New Mexico, July 16, 2009-Representatives from Los Alamos National Security, LLC and Los Alamos National Laboratory today are presenting a check for $100,000 to the Santa Fe Community College and its GROW Foundation for the college's planned Sustainable Technologies Center.The new center is an educational and training facility for alternative energy and green jobs that will

  1. Fe Atomic Data for Non-equilibrium Ionization Plasmas (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Fe Atomic Data for Non-equilibrium Ionization Plasmas Citation Details In-Document Search Title: Fe Atomic Data for Non-equilibrium Ionization Plasmas No abstract prepared. Authors: Eriksen, Kristoffer A. [1] ; Fontes, Christopher J. [1] ; Colgan, James P. [1] ; Zhang, Honglin [1] ; Hungerford, Aimee L. [1] ; Fryer, Christopher L. [1] ; Hughes, John P. [2] ; Smith, Randall K. [3] ; Badenes, Carles [4] + Show Author Affiliations Los Alamos National Laboratory Rutgers

  2. Demonstration of Security Benefits of Renewable Generation at FE Warren Air Force Base

    SciTech Connect (OSTI)

    Warwick, William M.; Myers, Kurt; Seifert, Gary

    2010-12-31

    Report detailing field demonstration of security benefits of renewable generation at FE Warren Air Force Base.

  3. Uranium(VI) reduction by nanoscale zero-valent iron in anoxic batch systems: The role of Fe(II) and Fe(III)

    SciTech Connect (OSTI)

    Yan, Sen; Chen, Yongheng; Xiang, Wu; Bao, Zhengyu; Liu, Chongxuan; Deng, Baolin

    2014-12-01

    The role of Fe(II) and Fe(III) on U(VI) reduction by nanoscale zerovalent iron (nanoFe0) was investigated using two iron chelators 1,10-phenanthroline and triethanolamine (TEA) under a CO2-free anoxic condition. The results showed U(VI) reduction was strongly inhibited by 1,10-phenanthroline and TEA in a pH range from 6.92 to 9.03. For instance, at pH 6.92 the observed U(VI) reduction rates decreased by 80.7% and 82.3% in the presence of 1,10-phenanthroline and TEA, respectively. The inhibition was attributed to the formation of stable complexes between 1,10-phenanthroline and Fe(II) or TEA and Fe(III). In the absence of iron chelators, U(VI) reduction can be enhanced by surface-bound Fe(II) on nanoFe0. Our results suggested that Fe(III) and Fe(II) probably acted as an electron shuttle to mediate the transfer of electrons from nanoFe0 to U(VI), therefore a combined system with Fe(II), Fe(III) and nanoFe0 can facilitate the U(VI) reductive immobilization in the contaminated groundwater.

  4. All-epitaxial Co{sub 2}FeSi/Ge/Co{sub 2}FeSi trilayers fabricated...

    Office of Scientific and Technical Information (OSTI)

    Ge and Cosub 2FeSi enable to promote the 2D epitaxial growth of Ge up to 5 nm at a ... Country of Publication: United States Language: English Subject: 36 MATERIALS SCIENCE; 71 ...

  5. Mssbauer investigations of hyperfine interactions features of {sup 57}Fe nuclei in BiFeO{sub 3} ferrite

    SciTech Connect (OSTI)

    Sobolev, Alexey, E-mail: salex12@rambler.ru; Presniakov, Igor, E-mail: salex12@rambler.ru; Rusakov, Vyacheslav, E-mail: salex12@rambler.ru; Matsnev, Mikhail; Gorchakov, Dmitry; Glazkova, Iana [Lomonosov Moscow State University, 119991, Moscow (Russian Federation); Belik, Alexey [International Center for Materials Nanoarchitectonics (MANA), National Institute for Material Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044 (Japan)

    2014-10-27

    New results of {sup 57}Fe Mssbauer studies on BiFeO{sub 3} powder sample performed at various temperatures above and below magnetic phase transitions point T{sub N} ? 640K are reported. We have performed self-consistent calculations of the lattice contributions to the EFG tensor, taking into account dipole moments of the O{sup 2?} and Bi{sup 3+} ions. Low-temperature {sup 57}Fe Mssbauer spectra recorded at T < T{sub N} were analyzed assuming an anharmonic cycloidal modulation of the Fe{sup 3+} magnetic moments. The cycloidal modulation of the iron spin was described with the elliptic Jacobi function sn[(4K(m)/?)x,m]. The good fit of the experimental spectra was obtained for the anharmonicity m = 0.44 0.04 (T = 4.9K) resulting from the easy-axis magnetic anisotropy.

  6. Evolution of competing magnetic order in the Jeff=1/2 insulating state of Sr2Ir1-xRuxO4

    SciTech Connect (OSTI)

    Calder, Stuart A.; Kim, Jong-Woo; Cao, Guixin; Cantoni, Claudia; May, Andrew F; Cao, Huibo B.; Aczel, Adam A.; Matsuda, Masaaki; Choi, Yongseong; Haskel, Daniel; Sales, B. C.; Mandrus, David; Lumsden, Mark D.; Christianson, Andrew D.

    2015-10-27

    We investigate the magnetic properties of the series Sr2Ir1-xRuxO4 with neutron, resonant x-ray and magnetization measurements. The results indicate an evolution and coexistence of magnetic structures via a spin flop transition from ab-plane to c-axis collinear order as the 5d Ir4+ ions are replaced with an increasing concentration of 4d Ru4+ ions. The magnetic structures within the ordered regime of the phase diagram (x<0.3) are reported. Despite the changes in magnetic structure no alteration of the Jeff=1/2 ground state is observed. This behavior of Sr2Ir1-xRuxO4 is consistent with electronic phase separation and diverges from a standard scenario of hole doping. The role of lattice alterations with doping on the magnetic and insulating behavior is considered. Our results presented here provide insight into the magnetic insulating states in strong spin-orbit coupled materials and the role perturbations play in altering the behavior.

  7. Tunneling magnetoresistance in Fe{sub 3}Si/MgO/Fe{sub 3}Si(001) magnetic tunnel junctions

    SciTech Connect (OSTI)

    Tao, L. L.; Liang, S. H.; Liu, D. P.; Wei, H. X.; Han, X. F.; Wang, Jian

    2014-04-28

    We present a theoretical study of the tunneling magnetoresistance (TMR) and spin-polarized transport in Fe{sub 3}Si/MgO/Fe{sub 3}Si(001) magnetic tunnel junction (MTJ). It is found that the spin-polarized conductance and bias-dependent TMR ratios are rather sensitive to the structure of Fe{sub 3}Si electrode. From the symmetry analysis of the band structures, we found that there is no spin-polarized Δ{sub 1} symmetry bands crossing the Fermi level for the cubic Fe{sub 3}Si. In contrast, the tetragonal Fe{sub 3}Si driven by in-plane strain reveals half-metal nature in terms of Δ{sub 1} state. The giant TMR ratios are predicted for both MTJs with cubic and tetragonal Fe{sub 3}Si electrodes under zero bias. However, the giant TMR ratio resulting from interface resonant transmission for the former decreases rapidly with the bias. For the latter, the giant TMR ratio can maintain up to larger bias due to coherent transmission through the majority-spin Δ{sub 1} channel.

  8. Microstructure evolution and magnetic properties of FeB/Pt multilayers and FeBPt composite films

    SciTech Connect (OSTI)

    Su, Hao; Schwarm, Samuel C.; Gupta, Subhadra; Martens, Richard L.

    2014-05-07

    Comparisons of microstructural evolution and magnetic properties were made of a FeB12/Pt10/[FeB1.2/Pt1]{sub 15}/Ta5 nm multilayered structure with a FeB12/Pt10/FeBPt33/Ta5 nm co-deposited structure. The Ta capping layer was used to protect the films from oxidation. Both these samples were sputtered in the same planetary deposition system onto thermally oxidized silicon substrates. They both represent layer-by-layer deposition, with the second type of deposition having atomically fine layers, more than an order of magnitude finer than the first type. The samples were annealed at a range of times, temperatures, and vacuum conditions. X-ray diffraction (XRD), transmission electron microscopy, and alternating gradient magnetometry were employed to characterize the structural and magnetic properties, respectively. Significant differences were observed between the two types of structures. A maximum coercivity of 8.9 kOe was seen for the atomically fine multilayer, about 10% more than that for the coarse multilayer. XRD analysis confirmed that both the coarse and fine multilayers were in the L1{sub 0} phase after annealing. Our results indicate that the co-deposited film, which is really composed of atomically fine multilayers, is superior to the coarse multilayered FeB/Pt for the formation of L1{sub 0}-phase FePt.

  9. Campbell penetration depth in Fe-based superconductors

    SciTech Connect (OSTI)

    Prommapan, Plegchart

    2011-08-15

    A 'true' critical current density, j{sub c}, as opposite to commonly measured relaxed persistent (Bean) current, j{sub B}, was extracted from the Campbell penetration depth, {lambda}{sub c}(T,H) measured in single crystals of LiFeAs, and optimally electron-doped Ba(Fe{sub 0.954}Ni{sub 0.046}){sub 2}As{sub 2} (FeNi122). In LiFeAs, the effective pinning potential is nonparabolic, which follows from the magnetic field - dependent Labusch parameter {alpha}. At the equilibrium (upon field - cooling), {alpha}(H) is non-monotonic, but it is monotonic at a finite gradient of the vortex density. This behavior leads to a faster magnetic relaxation at the lower fields and provides a natural dynamic explanation for the fishtail (second peak) effect. We also find the evidence for strong pinning at the lower fields.The inferred field dependence of the pinning potential is consistent with the evolution from strong pinning, through collective pinning, and eventually to a disordered vortex lattice. The value of j{sub c}(2 K) {approx_equal} 1.22 x 10{sup 6} A/cm{sup 2} provide an upper estimate of the current carrying capability of LiFeAs. Overall, vortex behavior of almost isotropic, fully-gapped LiFeAs is very similar to highly anisotropic d-wave cuprate superconductors, the similarity that requires further studies in order to understand unconventional superconductivity in cuprates and pnictides. In addition to LiFeAs, we also report the magnetic penetration depth in BaFe{sub 2}As{sub 2} based superconductors including irradiation of FeNi122. In unirradiated FeNi122, the maximum critical current value is, j{sub c}(2K) {approx_equal} 3.3 x 10{sup 6} A/cm{sup 2}. The magnetic-dependent feature was observed near the transition temperature in FeTe{sub 0.53}Se{sub 0.47} and irradiated FeNi122. Because of this feature, further studies are required in order to properly calibrate the Campbell penetration depth. Finally, we detected the crossing between the magnetic penetration depth and

  10. In-field {sup 57}Fe Mössbauer spectroscopy below spin-flop transition in powdered troilite (FeS) mineral

    SciTech Connect (OSTI)

    Cuda, Jan Tucek, Jiri; Filip, Jan; Malina, Ondrej; Krizek, Michal; Zboril, Radek

    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.

  11. Thermoelectric, electronic, optical and chemical bonding properties of Ba{sub 2}PrRuO{sub 6}: At temperature 7 K and 150 K

    SciTech Connect (OSTI)

    Reshak, A.H.; Khan, Wilayat

    2015-01-15

    Highlights: DFT-FPLAPW method used for calculating the electronic structure. The Fermi surface of BPRO (7 K and 150 K) is also calculated. The complex dielectric function has been calculated. Thermoelectric properties were also calculated using BoltzTraP code. Power factor shows that both compounds are good thermoelectric materials at 600 K. - Abstract: We present first principles calculations of the band structure, density of states, electronic charge density, Fermi surface and optical properties of Ba{sub 2}PrRuO{sub 6} single crystals at two different temperatures. The atomic positions were optimized by minimizing the forces acting on the atoms. We have employed the full potential linear augmented plane wave method within local density approximation, generalized gradient approximation and EngelVosko generalized gradient approximation to treat the exchange correlation potential. The calculation shows that the compound is superconductor with strong hybridization near the Fermi energy level. Fermi surface is composed of two sheets. The calculated electronic specific heat capacities indicate, very close agreement with the experimental one. The bonding features of the compounds are analyzed using the electronic charge density in the (1 0 0) and (010) crystallographic planes. The dispersion of the optical constants was calculated and discussed. The thermoelectric properties are also calculated using the BoltzTrap code.

  12. Microstructure of (110)-Oriented Epitaxial SrRuO3 Thin Films Grown on Off-Cut Single Crystal YSZ(100) Substrates

    SciTech Connect (OSTI)

    Zhu, Xinhua; Lee, Sung Kyun; Lee, Ho Nyung; Hesse, Dietrich

    2005-01-01

    The microstructure of (1 1 0){sup pc}-oriented epitaxial SrRuO{sub 3} (SRO) thin films grown by pulsed laser deposition on (1 0 0)YSZ (YSZ: yttria-stabilized zirconia) single crystal substrates with a miscut angle of 5{sup o} has been investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The films grow epitaxially with their pseudocubic (1 1 0) plane parallel to the (1 0 0) surface of the YSZ single crystal substrate, and with an in-plane orientation relationship of [{ovr 1} 1 1]{sub SRO}//[0 1 1]{sub YSZ}. Cross-sectional TEM investigations show that the films have a rough, facetted surface. Generally, four different azimuthal domains are present in (1 1 0)SRO films on (1 0 0)YSZ. Their number can be significantly reduced using annealed offcut YSZ substrates before SRO deposition, and this reduction effect is shown to be much stronger on [0 1 1]-miscut (1 0 0)YSZ than on [0 0 1]-miscut ones. Size and morphology of the azimuthal pseudocubic domains and their domain boundaries, as well as of anti-phase domains and their domain boundaries are studied by plan-view and cross-section TEM.

  13. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    SciTech Connect (OSTI)

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observation is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.

  14. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observationmore » is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.« less

  15. Effect of Ag addition to L1{sub 0} FePt and L1{sub 0} FePd films grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Tokuoka, Y.; Seto, Y.; Kato, T.; Iwata, S.

    2014-05-07

    L1{sub 0} ordered FePt-Ag (5?nm) and FePd-Ag (5?nm) films were grown on MgO (001) substrate at temperatures of 250400?C by using molecular beam epitaxy method, and their crystal and surface structures, perpendicular magnetic anisotropies and Curie temperatures were investigated. In the case of FePt-Ag, Ag addition with the amount of 1020 at.?% was effective to promote L1{sub 0} ordering and granular growth, resulting in the increase of the perpendicular magnetic anisotropy and coercivity of the FePt-Ag films. On the other hand, in the case of FePd-Ag, Ag addition changed the surface morphology from island to continuous film associated with the reductions of its coercivity and perpendicular anisotropy. The variations of lattice constants and Curie temperature with Ag addition were significantly different between FePt-Ag and FePd-Ag. For FePd-Ag, the c and a axes lattice spacings and Curie temperature gradually changed with increasing Ag content, while they unchanged for FePt-Ag. These results suggest the possibility of the formation of FePdAg alloy in FePd-Ag, while Ag segregation in FePt-Ag.

  16. Dual and Triple Ion-Beam Irradiations of Fe, Fe(Cr) and Fe(Cr)-ODS Final Report: IAEA SMoRE CRP

    SciTech Connect (OSTI)

    Fluss, M J; Hsiung, L L; Marian, J

    2011-11-20

    Structures of nanoparticles in Fe-16Cr-4.5Al-0.3Ti-2W-0.37Y2O3 (K3) and Fe-20Cr-4.5Al-0.34Ti-0.5Y2O3 (MA956) oxide dispersion strengthened (ODS) ferritic steels produced by mechanical alloying (MA) and followed by hot extrusion have been studied using high-resolution transmission electron microscopy (HRTEM) techniques to gain insight about the formation mechanism of nanoparticles in MA/ODS steels. The observations of Y-Al-O complex-oxide nanoparticles in both ODS steels imply that decomposition of Y2O3 in association with internal oxidation of Al occurred during mechanical alloying. While the majority of oxide nanoparticles formed in both steels is Y4Al2O9, a few oxide particles of YAlO3 are also occasionally observed. These results reveal that Ti (0.3 wt %) plays an insignificant role in forming oxide nanoparticles in the presence of Al (4.5 wt %). HRTEM observations of crystalline nanoparticles larger than {approx}2 nm and amorphous or disordered cluster domains smaller than {approx}2 nm provide an insight into the formation mechanism of oxide nanoparticle in MA/ODS steels, which we believe from our observations involves a solid-state amorphous precursor followed by recrystallization. Dual ion-beam irradiations using He{sup +} + Fe{sup +8} ions were employed to gain more detailed insight about the role of nanoparticles in suppressing radiation-induced swelling. This is elaborated through TEM examinations of cavity distributions in ion-irradiated Fe-14Cr and K3-ODS ferritic steels. HRTEM observations of helium-filled cavities (helium bubbles) preferably trapped at nanoscale oxide particles and clusters in ion-irradiated K3-ODS are presented. Finally, we describe the results from triple ion-beam irradiations using H{sup +} + He{sup +} + Fe{sup +8} ions to emulate fusion first wall radiation effects. Preliminary work is reported that confirms the existence of significant hydrogen synergistic effects described earlier by Tanaka et al., for Fe(Cr) and by Wakai et al

  17. Crystal structure, magnetism and transport properties of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}

    SciTech Connect (OSTI)

    Janka, Oliver; Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.; Kauzlarich, Susan M.

    2013-09-15

    Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} were obtained from a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a NiIn flux. The initial phase, CeRu{sub 2}Al{sub 2}B, does not recrystallize, instead, crystals of a new phase, Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}, could be isolated once the flux was removed. The title compound crystallizes in the tetragonal space group P4/nmm (No. 129) with a=1139.02(8), c=801.68(6) pm (c/a=0.70) in the Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} structure type. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 ? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. - Graphical abstract: Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}A{sub l4.1}B{sub 10} were obtained using a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a NiIn flux. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 ?? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. Display Omitted - Highlights: Flux synthesis of high quality single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} is presented along with the crystal structure, magnetic and transport properties. The compound is isostructural to Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} but is first of this structure type showing mixed occupancies of d-elements. This is an intermetallic phase with Ce in either the 4+ or an intermediate valence state. The fact that this structure with mixed occupied transition

  18. Unification of [FeFe]-hydrogenases into three structural and functional groups

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Poudel, Saroj; Tokmina-Lukaszewska, Monika; Colman, Daniel R.; Refai, Mohammed; Schut, Gerrit J.; King, Paul W.; Maness, Pin-Ching; Adams, Michael W. W.; Peters, John W.; Bothner, Brian; et al

    2016-05-27

    [FeFe]-hydrogenases (Hyd) are structurally diverse enzymes that catalyze the reversible oxidation of hydrogen (H2). Recent biochemical data demonstrate new functional roles for these enzymes, including those that function in electron bifurcation where an exergonic reaction is coupled with an endergonic reaction to drive the reversible oxidation/production of H2. To identify the structural determinants that underpin differences in enzyme functionality, a total of 714 homologous sequences of the catalytic subunit, HydA, were compiled. Bioinformatics approaches informed by biochemical data were then used to characterize differences in inferred quaternary structure, HydA active site protein environment, accessory iron-sulfur clusters in HydA, and regulatorymore » proteins encoded in HydA gene neighborhoods. HydA homologs were clustered into one of three classification groups, Group 1 (G1), Group 2 (G2), and Group 3 (G3). G1 enzymes were predicted to be monomeric while those in G2 and G3 were predicted to be multimeric and include HydB, HydC (G2/G3) and HydD (G3) subunits. Variation in the HydA active site and accessory iron-sulfur clusters did not vary by group type. Group-specific regulatory genes were identified in the gene neighborhoods of both G2 and G3 Hyd. Analyses of purified G2 and G3 enzymes by mass spectrometry strongly suggests that they are post-translationally modified by phosphorylation. In conclusion, these results suggest that bifurcation capability is dictated primarily by the presence of both HydB and HydC in Hyd complexes, rather than by variation in HydA.« less

  19. Mechanically-induced disorder in CaFe2As2: A 57Fe Mössbauer study

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ma, Xiaoming; Ran, Sheng; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-10-17

    57Fe Mössbauer spectroscopy was used to perform a microscopic study on the 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 themore » 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

  20. Microporous Separators for Fe/V Redox Flow Batteries

    SciTech Connect (OSTI)

    Wei, Xiaoliang; Li, Liyu; Luo, Qingtao; Nie, Zimin; Wang, Wei; Li, Bin; Xia, Guanguang; Miller, Eric; Chambers, Jeff; Yang, Zhenguo

    2012-06-28

    The Fe/V redox flow battery has demonstrated promising performance that is advantageous over other redox flow battery systems. The less oxidative nature of the Fe(III) species enables use of hydrocarbon - based ion exchange membranes or separators. Daramic(reg. sign) microporous polyethylene separators were tested on Fe/V flow cells using the sulphuric/chloric mixed acid - supporting electrolytes. Among them, Daramic(reg. sign) C exhibited good flow cell cycling performance with satisfactory repeatability over a broad temperature range of 5 - 50 degrees C. Energy efficiency (EE) of C remains above 67% at current densities of 50 - 80 cm{sup -2} in the temperature range from room temperature to 50 degrees C. The capacity decay problem could be circumvented through hydraulic pressure balancing by applying different pump rates to the positive and negative electrolytes. Stable capacity and energy were obtained over 40 cycles at room temperature and 40 degrees C. These results manifest that the extremely low-cost separators ($10/cm2) are applicable in the Fe/V flow battery system at an acceptable sacrifice of energy efficiency. This stands for a remarkable breakthrough in significant reduction of the capital cost of the Fe/V flow battery system, and is promising to promote its market penetration in grid stabilization and renewable integration.

  1. Cladding burst behavior of Fe-based alloys under LOCA

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Terrani, Kurt A.; Dryepondt, Sebastien N.; Pint, Bruce A.; Massey, Caleb P.

    2015-12-17

    Burst behavior of austenitic and ferritic Fe-based alloy tubes has been examined under a simulated large break loss of coolant accident. Specifically, type 304 stainless steel (304SS) and oxidation resistant FeCrAl tubes were studied alongside Zircaloy-2 and Zircaloy-4 that are considered reference fuel cladding materials. Following the burst test, characterization of the cladding materials was carried out to gain insights regarding the integral burst behavior. Given the widespread availability of a comprehensive set of thermo-mechanical data at elevated temperatures for 304SS, a modeling framework was implemented to simulate the various processes that affect burst behavior in this Fe-based alloy. Themore » most important conclusion is that cladding ballooning due to creep is negligible for Fe-based alloys. Thus, unlike Zr-based alloys, cladding cross-sectional area remains largely unchanged up to the point of burst. Furthermore, for a given rod internal pressure, the temperature onset of burst in Fe-based alloys appears to be simply a function of the alloy's ultimate tensile strength, particularly at high rod internal pressures.« less

  2. Cladding burst behavior of Fe-based alloys under LOCA

    SciTech Connect (OSTI)

    Terrani, Kurt A.; Dryepondt, Sebastien N.; Pint, Bruce A.; Massey, Caleb P.

    2015-12-17

    Burst behavior of austenitic and ferritic Fe-based alloy tubes has been examined under a simulated large break loss of coolant accident. Specifically, type 304 stainless steel (304SS) and oxidation resistant FeCrAl tubes were studied alongside Zircaloy-2 and Zircaloy-4 that are considered reference fuel cladding materials. Following the burst test, characterization of the cladding materials was carried out to gain insights regarding the integral burst behavior. Given the widespread availability of a comprehensive set of thermo-mechanical data at elevated temperatures for 304SS, a modeling framework was implemented to simulate the various processes that affect burst behavior in this Fe-based alloy. The most important conclusion is that cladding ballooning due to creep is negligible for Fe-based alloys. Thus, unlike Zr-based alloys, cladding cross-sectional area remains largely unchanged up to the point of burst. Furthermore, for a given rod internal pressure, the temperature onset of burst in Fe-based alloys appears to be simply a function of the alloy's ultimate tensile strength, particularly at high rod internal pressures.

  3. FeN foils by nitrogen ion-implantation

    SciTech Connect (OSTI)

    Jiang, Yanfeng; Wang, Jian-Ping; Al Mehedi, Md; Fu, Engang; Wang, Yongqiang

    2014-05-07

    Iron nitride samples in foil shape (free standing, 500 nm in thickness) were prepared by a nitrogen ion-implantation method. To facilitate phase transformation, the samples were bonded on the substrate followed by a post-annealing step. By using two different substrates, single crystal Si and GaAs, structural and magnetic properties of iron nitride foil samples prepared with different nitrogen ion fluences were characterized. α″-Fe{sub 16}N{sub 2} phase in iron nitride foil samples was obtained and confirmed by the proposed approach. A hard magnetic property with coercivity up to 780 Oe was achieved for the FeN foil samples bonded on Si substrate. The feasibility of using nitrogen ion implantation techniques to prepare FeN foil samples up to 500 nm thickness with a stable martensitic phase under high ion fluences has been demonstrated. A possible mechanism was proposed to explain this result. This proposed method could potentially be an alternative route to prepare rare-earth-free FeN bulk magnets by stacking and pressing multiple free-standing thick α″-Fe{sub 16}N{sub 2} foils together.

  4. Observation of inverse spin Hall effect in ferromagnetic FePt alloys using spin Seebeck effect

    SciTech Connect (OSTI)

    Seki, Takeshi Takanashi, Koki; Uchida, Ken-ichi; Kikkawa, Takashi; Qiu, Zhiyong; Saitoh, Eiji

    2015-08-31

    We experimentally observed the inverse spin Hall effect (ISHE) of ferromagnetic FePt alloys. Spin Seebeck effect due to the temperature gradient generated the spin current (J{sub s}) in the FePt|Y{sub 3}Fe{sub 5}O{sub 12} (YIG) structure, and J{sub s} was injected from YIG to FePt and converted to the charge current through ISHE of FePt. The significant difference in magnetization switching fields for FePt and YIG led to the clear separation of the voltage of ISHE from that of anomalous Nernst effect in FePt. We also investigated the effect of ordering of FePt crystal structure on the magnitude of ISHE voltage in FePt.

  5. Single-crystal epitaxial thin films of SrFeO{sub 2} with FeO{sub 2} 'infinite layers'

    SciTech Connect (OSTI)

    Inoue, Satoru; Kawai, Masanori; Shimakawa, Yuichi [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Mizumaki, Masaichiro; Kawamura, Naomi [Japan Synchrotron Radiation Research Institute/SPring-8, Sayo, Hyogo 679-5198 (Japan); Watanabe, Takashi; Tsujimoto, Yoshihiro; Kageyama, Hiroshi; Yoshimura, Kazuyoshi [Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo, Kyoto 606-8502 (Japan)

    2008-04-21

    Single-crystal thin films of SrFeO{sub 2}, which is an oxygen-deficient perovskite with ''infinite layers'' of Fe{sup 2+}O{sub 2}, were prepared by using CaH{sub 2} for low-temperature reduction of epitaxial SrFeO{sub 2.5} single-crystal films deposited on KTaO{sub 3} substrates. This reduction process, removing oxygen ions from the perovskite structure framework and causing rearrangements of oxygen ions, topotactically transforms the brownmillerite SrFeO{sub 2.5} to the c-axis oriented SrFeO{sub 2}.

  6. New Fe-56 Evaluation for the CIELO project

    SciTech Connect (OSTI)

    Nobre, G P; Herman, Micheal W; Brown, D A; Capote, R.; Leal, Luiz C; Plompen, A.; Danon, Y.; Qian, Jing; Ge, Zhigang; Liu, Tingjin; Lu, Hnalin; Ruan, Xichao

    2016-01-01

    The Collaborative International Evaluated Library Organisation (CIELO) aims to provide revised and updated evaluations for Pu-239, U-238,U-235, Fe-56, O-16, and H-1 through international collaboration. This work, which is part of the CIELO project, presents the initial results for the evaluation of the Fe-56 isotope, with neutron-incident energy ranging from 0 to 20 MeV. The Fe-56(n,p) cross sections were fitted to reproduce the ones from IRDFF dosimetry file. Our preliminary file provides good cross-section agreements for the main angle-integrated reactions, as well as a reasonable overall agreement for angular distributions and double-differential spectra, when compared to previous evaluations.

  7. Spin-Lattice Coupling and Superconductivity in Fe Pnictides

    SciTech Connect (OSTI)

    Egami, Takeshi; Singh, David J; Fine, Boris V; Subedi, Alaska P; Parshall, Daniel

    2010-01-01

    We consider strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides also exhibit this effect, reflected in particular on the dependence of the magnetic moment on the atomic volume of Fe defined by the positions of the nearest neighbor atoms. Through the phenomenological Landau theory, developed on the basis of the calculations by the density functional theory (DFT) and the experimental results, we quantify the strength of the spin-lattice interaction as it relates to the Stoner criterion for the onset of magnetism. We suggest that the coupling between electrons and phonons through the spin channel may be sufficiently strong to be an important part of the superconductivity mechanism in Fe pnictides.

  8. Electronic and magnetic properties of Si substituted Fe3Ge

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shanavas, Kavungal Veedu; McGuire, Michael A.; Parker, David S.

    2015-09-23

    Using first principles calculations we studied the effect of Si substitution in the hexagonal Fe3Ge. We find the low temperature magnetic anisotropy in this system to be planar and originating mostly from the spin-orbit coupling in Fe-d states. Reduction of the unitcell volume reduces the in-plane magnetic anisotropy, eventually turning it positive which reorients the magnetic moments to the axial direction. We find that substituting Ge with the smaller Si ions also reduces the anisotropy, potentially enhancing the region of stability of the axial magnetization, which is beneficial for magnetic applications. Thus our experimental measurements on samples of Fe3Ge1–xSix confirmmore » these predictions and show that substitution of about 6% of the Ge with Si increases by approximately 35 K the temperature range over which anisotropy is uniaxial.« less

  9. Bimetallic Fe-Ni Oxygen Carriers for Chemical Looping Combustion

    SciTech Connect (OSTI)

    Bhavsar, Saurabh; Veser, Goetz

    2013-11-06

    The relative abundance, low cost, and low toxicity of iron make Fe-based oxygen carriers of great interest for chemical looping combustion (CLC), an emerging technology for clean and efficient combustion of fossil and renewable fuels. However, Fe also shows much lower reactivity than other metals (such as Ni and Cu). Here, we demonstrate strong improvement of Fe-based carriers by alloying the metal phase with Ni. Through a combination of carrier synthesis and characterization with thermogravimetric and fixed-bed reactor studies, we demonstrate that the addition of Ni results in a significant enhancement in activity as well as an increase in selectivity for total oxidation. Furthermore, comparing alumina and ceria as support materials highlights the fact that reducible supports can result in a strong increase in oxygen carrier utilization.

  10. Spin-Lattice Coupling and Superconductivity in Fe Pnictides

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Egami, T.; Fine, B. V.; Parshall, D.; Subedi, A.; Singh, D. J.

    2010-01-01

    We consider strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides also exhibit this effect, reflected in particular on the dependence of the magnetic moment on the atomic volume of Fe defined by the positions of the nearest neighbor atoms. Through the phenomenological Landau theory, developed on the basis of the calculations by the density functional theory (DFT) and the experimental results, we quantify the strength of the spin-lattice interaction as it relates to the Stoner criterion for themore » onset of magnetism. We suggest that the coupling between electrons and phonons through the spin channel may be sufficiently strong to be an important part of the superconductivity mechanism in Fe pnictides.« less

  11. Constructing hierarchical interfaces: TiO2-supported PtFe-FeOx nanowires for room temperature CO oxidation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhu, Huiyuan; Wu, Zili; Dong, Su; Veith, Gabriel M.; Lu, Hanfeng; Zhang, Pengfei; Chai, Song -Hai; Dai, Sheng

    2015-08-05

    This is a report of a facile approach to constructing catalytic active hierarchical interfaces in one-dimensional (1D) nanostructure, exemplified by the synthesis of TiO2-supported PtFe–FeOx nanowires (NWs). The hierarchical interface, constituting atomic level interactions between PtFe and FeOx within each NW and the interactions between NWs and support (TiO2), enables CO oxidation with 100% conversion at room temperature. We identify the role of the two interfaces by probing the CO oxidation reaction with isotopic labeling experiments. Both the oxygen atoms (Os) in FeOx and TiO2 participate in the initial CO oxidation, facilitating the reaction through a redox pathway. Moreover, themore » intact 1D structure leads to the high stability of the catalyst. After 30 h in the reaction stream, the PtFe–FeOx/TiO2 catalyst exhibits no activity decay. These results provide a general approach and new insights into the construction of hierarchical interfaces for advanced catalysis.« less

  12. Structural and Electrochemical Characterization of Pure LiFePO 4 and Nanocomposite C- LiFePO 4 Cathodes for Lithium Ion Rechargeable Batteries

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kumar, Arun; Thomas, R.; Karan, N. K.; Saavedra-Arias, J. J.; Singh, M. K.; Majumder, S. B.; Tomar, M. S.; Katiyar, R. S.

    2009-01-01

    Pure limore » thium iron phosphate ( LiFePO 4 ) and carbon-coated LiFePO 4 (C- LiFePO 4 ) cathode materials were synthesized for Li-ion batteries. Structural and electrochemical properties of these materials were compared. X-ray diffraction revealed orthorhombic olivine structure. Micro-Raman scattering analysis indicates amorphous carbon, and TEM micrographs show carbon coating on LiFePO 4 particles. Ex situ Raman spectrum of C- LiFePO 4 at various stages of charging and discharging showed reversibility upon electrochemical cycling. The cyclic voltammograms of LiFePO 4 and C- LiFePO 4 showed only a pair of peaks corresponding to the anodic and cathodic reactions. The first discharge capacities were 63, 43, and 13 mAh/g for C/5, C/3, and C/2, respectively for LiFePO 4 where as in case of C- LiFePO 4 that were 163, 144, 118, and 70 mAh/g for C/5, C/3, C/2, and 1C, respectively. The capacity retention of pure LiFePO 4 was 69% after 25 cycles where as that of C- LiFePO 4 was around 97% after 50 cycles. These results indicate that the capacity and the rate capability improved significantly upon carbon coating.« less

  13. Structural and Electrochemical Characterization of PureLiFePO4and Nanocomposite C-LiFePO4Cathodes for Lithium Ion Rechargeable Batteries

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kumar, Arun; Thomas, R.; Karan, N. K.; Saavedra-Arias, J. J.; Singh, M. K.; Majumder, S. B.; Tomar, M. S.; Katiyar, R. S.

    2009-01-01

    Pure lithium iron phosphate (LiFePO4) and carbon-coatedLiFePO4(C-LiFePO4) cathode materials were synthesized for Li-ion batteries. Structural and electrochemical properties of these materials were compared. X-ray diffraction revealed orthorhombic olivine structure. Micro-Raman scattering analysis indicates amorphous carbon, and TEM micrographs show carbon coating onLiFePO4particles. Ex situ Raman spectrum of C-LiFePO4at various stages of charging and discharging showed reversibility upon electrochemical cycling. The cyclic voltammograms ofLiFePO4and C-LiFePO4showed only a pair of peaks corresponding to the anodic and cathodic reactions. The first discharge capacities were 63, 43, and 13?mAh/g for C/5, C/3, and C/2, respectively forLiFePO4where as in case of C-LiFePO4that were 163, 144,more118, and 70?mAh/g for C/5, C/3, C/2, and 1C, respectively. The capacity retention of pureLiFePO4was 69% after 25 cycles where as that of C-LiFePO4was around 97% after 50 cycles. These results indicate that the capacity and the rate capability improved significantly upon carbon coating.less

  14. Optimization of L1{sub 0} FePt/Fe{sub 45}Co{sub 55} thin films for rare earth free permanent magnet applications

    SciTech Connect (OSTI)

    Giannopoulos, G. Psycharis, V.; Niarchos, D.; Reichel, L.; Markou, A.; Panagiotopoulos, I.; Damm, C.; Fähler, S.; Khan, Imran; Hong, Jisang

    2015-06-14

    The magnetic properties of magnetron sputtered bilayers consisting of Fe{sub 45}Co{sub 55} ultrathin layers on top of L1{sub 0} FePt films epitaxially grown on MgO substrates are studied in view of their possible application as rare earth free permanent magnets. It is found that FePt layers induce a tetragonal distortion to the Fe-Co layers which leads to increased anisotropy. This allows to take advantage of the Fe-Co high magnetic moment with less significant loss of the coercivity compared to a typical hard/soft exchange spring system. A maximum energy product approaching 50 MGOe is obtained for a FePt(7 ML)/FeCo/(5 ML) sample. The results are in accordance with first-principles computational methods, which predict that even higher energy products are possible for micromagnetically optimized microstructures.

  15. SPECTROSCOPIC OBSERVATIONS OF Fe XVIII IN SOLAR ACTIVE REGIONS

    SciTech Connect (OSTI)

    Teriaca, Luca; Curdt, Werner; Warren, Harry P.

    2012-08-01

    The large uncertainties associated with measuring the amount of high temperature emission in solar active regions (ARs) represents a significant impediment to making progress on the coronal heating problem. Most current observations at temperatures of 3 MK and above are taken with broadband soft X-ray instruments. Such measurements have proven difficult to interpret unambiguously. Here, we present the first spectroscopic observations of the Fe XVIII 974.86 A emission line in an on-disk AR taken with the SUMER instrument on SOHO. Fe XVIII has a peak formation temperature of 7.1 MK and provides important constraints on the amount of impulsive heating in the corona. Detailed evaluation of the spectra and comparison of the SUMER data with soft X-ray images from the X-Ray Telescope on Hinode confirm that this line is unblended. We also compare the spectroscopic data with observations from the Atmospheric Imaging Assembly (AIA) 94 A channel on the Solar Dynamics Observatory. The AIA 94 A channel also contains Fe XVIII, but is blended with emission formed at lower temperatures. We find that it is possible to remove the contaminating blends and form relatively pure Fe XVIII images that are consistent with the spectroscopic observations from SUMER. The observed spectra also contain the Ca XIV 943.63 A line that, although a factor 2-6 weaker than the Fe XVIII 974.86 A line, allows us to probe the plasma around 3.5 MK. The observed ratio between the two lines indicates (isothermal approximation) that most of the plasma in the brighter Fe XVIII AR loops is at temperatures between 3.5 and 4 MK.

  16. Alternative Fuels Data Center: Santa Fe Metro Fleet Runs on Natural Gas

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Santa Fe Metro Fleet Runs on Natural Gas to someone by E-mail Share Alternative Fuels Data Center: Santa Fe Metro Fleet Runs on Natural Gas on Facebook Tweet about Alternative Fuels Data Center: Santa Fe Metro Fleet Runs on Natural Gas on Twitter Bookmark Alternative Fuels Data Center: Santa Fe Metro Fleet Runs on Natural Gas on Google Bookmark Alternative Fuels Data Center: Santa Fe Metro Fleet Runs on Natural Gas on Delicious Rank Alternative Fuels Data Center: Santa Fe Metro Fleet Runs on

  17. DE-FE0003060 | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DE-FE0003060 Global Assessment of Methane Gas Hydrates Last Reviewed 3/17/2015 DE-FE0003060 Goal The goal of this project is to develop a global assessment of methane gas hydrates that will facilitate informed decision-making regarding the potential development of gas hydrate resources between the scientific community and other stakeholders/decision makers. The Assessment will provide science-based information on the role of gas hydrates in natural climate change and the carbon cycle, their

  18. NNMCAB Board Agenda: July 2016 Santa Fe | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    July 2016 Santa Fe NNMCAB Board Agenda: July 2016 Santa Fe At This Meeting: Consideration and Action on Draft Recommendations Approved at Spring Chairs Meeting Presentation by Doug Hintz, DOE EM-LA, "Los Alamos Cleanup Lifecycle Cost Estimate" Presentation by David Rhodes, DOE EM-LA, "LLCC Draft Request for Proposal" Update by EM-LA Field Office Manager Doug Hintze Board Agenda - July 27, 2016 (122.95 KB) More Documents & Publications NNMCAB Board Agenda: May 2016

  19. La Fonda on the Plaza, Santa Fe, NM: June 1

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sequencing, Finishing, and Analysis in the Future (SFAF) La Fonda on the Plaza, Santa Fe, NM: June 1 st - 3 rd , 2016 Please join us for the 11 th annual "Sequencing, Finishing and Analysis in the Future" Meeting on Wednesday, June 1 st through June 3 rd in beautiful, historic Santa Fe, NM. The three-day SFAF conference will focus on Next Generation Sequencing technologies, applications, and their effect on the rapidly advancing field of Genomics. If you have any questions, or would

  20. Duo at Santa Fe's Monte del Sol Charter

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Duo at Santa Fe's Monte del Sol Charter School takes top award in 25th New Mexico Supercomputing Challenge April 21, 2015 Using nanotechnology robots to kill cancer cells LOS ALAMOS, N.M., April 21, 2015-Meghan Hill and Katelynn James of Santa Fe's Monte del Sol Charter Sol took the top prize in the 25 th New Mexico Supercomputing Challenge Tuesday at Los Alamos National Laboratory for their research project, "Using Concentrated Heat Systems to Shock the P53 Protein to Direct Cancer into

  1. Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 cathode

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ye, Zhuo; Zhao, Xin; Li, Shouding; Wu, Shunqing; Wu, Ping; Nguyen, Manh Cuong; Guo, Jianghuai; Mi, Jinxiao; Gong, Zhengliang; Zhu, Zi -Zhong; et al

    2016-07-14

    Sodium orthosilicates Na2MSiO4 (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 Na2FeSiO4. 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.

  2. The Pd/Fe Interface in the Epitaxial System Pd/Fe/GaAs(001)- 4 x 6

    SciTech Connect (OSTI)

    Budnik, P.S.; Gordon, R.A.; Crozier, E.D.

    2007-01-18

    Magnetic properties of thin magnetic films are strongly affected by the nature of the interface between magnetic and non-magnetic layers. In spintronic devices the extent to which spins are scattered at an interface depends upon interfacial roughness, alloying, and impurities. We present a polarization-dependent XAFS study of a 1Pd/9Fe/GaAs(001)-(4 x 6) structure grown in situ in the MBE facility at the PNC/XOR, APS. To increase the interfacial roughness, the 1ML Pd was grown on the 9 ML Fe without first sputtering and annealing the Fe. An estimate of interfacial roughness, evidence for formation of Pd islands, their height, and the amount of As floating to the Pd surface from the GaAs are given.

  3. Excitation Cross Section Measurement for n=3 to n=2 Line Emission in Fe17+ to Fe23+

    SciTech Connect (OSTI)

    Chen, H; Gu, M F; Beiersdorfer, P; Boyce, K R; Brown, G V; Kahn, S M; Kelley, R L; Kilbourne, C A; Porter, F S; Scofield, J H

    2006-02-08

    The authors report the measurement of electron impact excitation cross sections for the strong iron L-shell 3 {yields} 2 lines of Fe XVIII through Fe XXIV at the EBIT-I electron beam ion trap using a crystal spectrometer and a 6 x 6 pixel array microcalorimeter. The cross sections were determined by direct normalization to the well established cross section of radiative electron capture through a sophisticated model analysis which results in the excitation cross section for 48 lines at multiple electron energies. They also studied the electron density dependent nature of the emission lines, which is demonstrated by the effective excitation cross section of the 3d {yields} 2p transition in Fe XXI.

  4. Mechanistic insight into peroxydisulfate reactivity: Oxidation of the cis,cis-[Ru(bpy)2(OH2)]2O4+ "Blue Dimmer"

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hurst, James K.; Roemeling, Margo D.; Lymar, Sergei V.

    2015-04-10

    One-electron oxidation of the μ-oxo dimer (cis,cis-[RuIII(bpy)2(OH2)]2O4+, {3,3}) to {3,4} by S2O82- can be described by three concurrent reaction pathways corresponding to the three protic forms of {3,3}. Free energy correlations of the rate constants, transient species dynamics determined by pulse radiolysis, and medium and temperature dependencies of the alkaline pathway all suggest that the rate determining step in these reactions is a strongly non-adiabatic dissociative electron transfer within a precursor ion pair leading to the {3,4}|SO42-|SO4•- ion triple. As deduced from the SO4•- scavenging experiments with 2-propanol, the SO4•- radical then either oxidizes {3,4} to {4,4} within the ionmore » triple, effecting a net two-electron oxidation of {3,3}, or escapes in solution with ~25 % probability to react with additional {3,3} and {3,4}, that is, effecting sequential one-electron oxidations. The reaction model presented also invokes rapid {3,3} + {4,4} → 2{3,4} comproportionation, for which kcom ~5×107 M-1 s-1 was independently measured. The model provides an explanation for the observation that despite favorable energetics, no oxidation beyond the {3,4} state was detected. As a result, the indiscriminate nature of oxidation by SO4•- indicates that its fate must be quantitatively determined when using S2O82- as an oxidant« less

  5. Iron transformation pathways and redox micro-environments in seafloor sulfide-mineral deposits: Spatially resolved Fe XAS and δ57/54Fe observations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Toner, Brandy M.; Rouxel, Olivier J.; Santelli, Cara M.; Bach, Wolfgang; Edwards, Katrina J.

    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 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

  6. SEMI-ANNUAL REPORTS FOR TEXAS LNG - TEXAS LNG - FTA - FE DKT...

    Office of Environmental Management (EM)

    TEXAS LNG - TEXAS LNG - FTA - FE DKT. NO. 13-160-LNG - 3443 SEMI-ANNUAL REPORTS FOR TEXAS LNG - TEXAS LNG - FTA - FE DKT. NO. 13-160-LNG - 3443 October 2014 April 2015 More...

  7. SEMI-ANNUAL REPORTS FOR Cameron LNG, LLC - FE Dkt. No. 15-36...

    Energy Savers [EERE]

    Cameron LNG, LLC - FE Dkt. No. 15-36-LNG - ORDER 3680 SEMI-ANNUAL REPORTS FOR Cameron LNG, LLC - FE Dkt. No. 15-36-LNG - ORDER 3680 NO REPORTS RECEIVED More Documents &...

  8. Vast Energy Resource in Residual Oil Zones, FE Study Says | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Vast Energy Resource in Residual Oil Zones, FE Study Says Vast Energy Resource in Residual Oil Zones, FE Study Says July 20, 2012 - 1:00pm Addthis Washington, DC - Billions of ...

  9. Electric control of magnetism at the Fe/BaTiO3 interface (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electric control of magnetism at the FeBaTiO3 interface Citation Details In-Document Search Title: Electric control of magnetism at the FeBaTiO3 interface Interfacial ...

  10. SEMI-ANNUAL REPORTS FOR GOLDEN PASS PRODUCTS LLC - FE DKT. NO...

    Broader source: Energy.gov (indexed) [DOE]

    - GULF LNG LIQUEFACTION COMPANY, LLC - FE DKT. NO. 12-47-LNG - ORDER 3104 SEMI-ANNUAL REPORTS FOR SOUTHERN LNG COMPANY - FE DKT. NO. 12-54-LNG - ORDER 3106 Semi-annual Reports for...

  11. SEMI-ANNUAL REPORTS FOR AMERICAN LNG MARKETING LLC, FE DKT. 15...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    AMERICAN LNG MARKETING LLC, FE DKT. 15-19-LNG - ORDER 3656 SEMI-ANNUAL REPORTS FOR AMERICAN LNG MARKETING LLC, FE DKT. 15-19-LNG - ORDER 3656 PDF icon October 2015 More Documents & ...

  12. Accelerated Thermal Aging of Fe-Zeolite SCR Catalysts Using an...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Thermal Aging of Fe-Zeolite SCR Catalysts Using an Engine-Based Systems Approach Accelerated Thermal Aging of Fe-Zeolite SCR Catalysts Using an Engine-Based Systems Approach This ...

  13. Transport measurements of FeAs superconductors in the 150T single...

    Office of Scientific and Technical Information (OSTI)

    Transport measurements of FeAs superconductors in the 150T single-turn magnet Citation Details In-Document Search Title: Transport measurements of FeAs superconductors in the 150T ...

  14. Stress induced anisotropy in CoFeMn soft magnetic nanocomposites...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Stress induced anisotropy in CoFeMn soft magnetic nanocomposites Citation Details In-Document Search Title: Stress induced anisotropy in CoFeMn soft magnetic ...

  15. Uniform Corrosion of model FeCrAl Alloys in LWR Coolants (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Uniform Corrosion of model FeCrAl Alloys in LWR Coolants Citation Details In-Document Search Title: Uniform Corrosion of model FeCrAl Alloys in LWR Coolants Authors: ...

  16. Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized...

    Office of Scientific and Technical Information (OSTI)

    Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized by sputter deposition Title: Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized by sputter ...

  17. Persistent Fe moments in the normal state of the pressure-induced...

    Office of Scientific and Technical Information (OSTI)

    the normal state of the pressure-induced superconductor Ca0.67Sr0.33Fe2As2 Citation Details In-Document Search Title: Persistent Fe moments in the normal state of the ...

  18. SEMI-ANNUAL REPORTS FOR GASFIN DEVELOPMENT USA, LLC - FE DKT...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    GASFIN DEVELOPMENT USA, LLC - FE DKT. NO. 13-06-LNG - ORDER 3253 SEMI-ANNUAL REPORTS FOR GASFIN DEVELOPMENT USA, LLC - FE DKT. NO. 13-06-LNG - ORDER 3253 PDF icon April 2013 PDF ...

  19. Iron Pyrite Thin Films Synthesized from an Fe(acac)[subscript...

    Office of Scientific and Technical Information (OSTI)

    Iron Pyrite Thin Films Synthesized from an Fe(acac)subscript 3 Ink Citation Details In-Document Search Title: Iron Pyrite Thin Films Synthesized from an Fe(acac)subscript 3 Ink...

  20. Approaching isotropy in the vortex system of SmFeAs(O,F) at extreme...

    Office of Scientific and Technical Information (OSTI)

    vortex system of SmFeAs(O,F) at extreme magnetic fields Citation Details In-Document Search Title: Approaching isotropy in the vortex system of SmFeAs(O,F) at extreme magnetic ...

  1. Chemically Mediated Quantum Criticality in NbFe2 (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Chemically Mediated Quantum Criticality in NbFe2 Prev Next Title: Chemically Mediated Quantum Criticality in NbFe2 Authors: Alam, Aftab ; Johnson, D. D. Publication Date: ...

  2. Chemically Mediated Quantum Criticality in NbFe2 (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Chemically Mediated Quantum Criticality in NbFe2 Citation Details In-Document Search Title: Chemically Mediated Quantum Criticality in NbFe2 Authors: Alam, Aftab ; Johnson, D. D. ...

  3. Technology Implimentation Plan - ATF FeCrAl Cladding for LWR Application

    SciTech Connect (OSTI)

    Snead, Mary A.; Snead, Lance; Terrani, Kurt A.; Field, Kevin G.; Worrall, Andrew; Robb, Kevin R.; Yamamoto, Yukinori; Powers, Jeffrey J.; Dryepondt, Sebastien N.; Pint, Bruce A.; Hu, Xunxiang

    2015-06-01

    Technology implimentation plan for FeCrAl development under the FCRD Advanced Fuel program. The document describes the activities required to get FeCrAl clad ready for LTR testing

  4. SEMI ANNUAL REPORTS - CAMERON LNG, LLC - FE DKT. NO. 14-204-LNG...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    SEMI ANNUAL REPORTS - CAMERON LNG, LLC - FE DKT. NO. 14-204-LNG - ORDER NO. 3620 SEMI ANNUAL REPORTS - CAMERON LNG, LLC - FE DKT. NO. 14-204-LNG - ORDER NO. 3620 PDF icon October ...

  5. SEMI-ANNUAL REPORTS FOR FREEPORT McMoran - FE DKT. NO. 13-26...

    Energy Savers [EERE]

    McMoran - FE DKT. NO. 13-26-LNG - ORDER 3290 SEMI-ANNUAL REPORTS FOR FREEPORT McMoran - FE DKT. NO. 13-26-LNG - ORDER 3290 PDF icon October 2013 PDF icon April 2014 PDF icon ...

  6. SEMI-ANNUAL REPORTS FOR SOUTHERN LNG COMPANY - FE DKT. NO. 12...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    SOUTHERN LNG COMPANY - FE DKT. NO. 12-54-LNG - ORDER 3106 SEMI-ANNUAL REPORTS FOR SOUTHERN LNG COMPANY - FE DKT. NO. 12-54-LNG - ORDER 3106 PDF icon October 2012 PDF icon April ...

  7. SEMI-ANNUAL REPORTS FOR BARCA LNG - FTA - FE DKT. NO. 13-117...

    Energy Savers [EERE]

    BARCA LNG - FTA - FE DKT. NO. 13-117-LNG - ORDER 3365 SEMI-ANNUAL REPORTS FOR BARCA LNG - FTA - FE DKT. NO. 13-117-LNG - ORDER 3365 PDF icon October 2014 PDF icon April 2015 PDF ...

  8. SEMI-ANNUAL REPORTS FOR SEAONE PASCAGOULA, LLC - FE DKT. NO....

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    SEMI-ANNUAL REPORTS FOR SEAONE PASCAGOULA, LLC - FE DKT. NO. 14-83-LNG - ORDER 3555 SEMI-ANNUAL REPORTS FOR SEAONE PASCAGOULA, LLC - FE DKT. NO. 14-83-LNG - ORDER 3555 PDF icon ...

  9. SEMI-ANNUAL REPORTS FOR GOLDEN PASS PRODUCTS LLC - FE DKT. NO...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    GOLDEN PASS PRODUCTS LLC - FE DKT. NO. 12-88-LNG - ORDER 3147 SEMI-ANNUAL REPORTS FOR GOLDEN PASS PRODUCTS LLC - FE DKT. NO. 12-88-LNG - ORDER 3147 PDF icon April 2013 PDF icon ...

  10. SEMI-ANNUAL REPORTS FOR Cameron LNG, LLC - FE Dkt. No. 15-36...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Cameron LNG, LLC - FE Dkt. No. 15-36-LNG - ORDER 3680 SEMI-ANNUAL REPORTS FOR Cameron LNG, LLC - FE Dkt. No. 15-36-LNG - ORDER 3680 PDF icon October 2015 More Documents & ...

  11. SEMI-ANNUAL REPORTS FOR Louisiana LNG Energy LLC - FE DKT. NO...

    Energy Savers [EERE]

    Louisiana LNG Energy LLC - FE DKT. NO 14-19-LNG - ORDER 3482 SEMI-ANNUAL REPORTS FOR Louisiana LNG Energy LLC - FE DKT. NO 14-19-LNG - ORDER 3482 PDF icon October 2014 PDF icon ...

  12. SEMI-ANNUAL REPORTS FOR JORDAN COVE ENERGY FE DKT. NO. 12-32...

    Energy Savers [EERE]

    JORDAN COVE ENERGY FE DKT. NO. 12-32-LNG - ORDER 3413 SEMI-ANNUAL REPORTS FOR JORDAN COVE ENERGY FE DKT. NO. 12-32-LNG - ORDER 3413 PDF icon April 2014 PDF icon October 2014 PDF ...

  13. SEMI-ANNUAL REPORTS FOR TEXAS LNG - TEXAS LNG - FTA - FE DKT...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    TEXAS LNG - TEXAS LNG - FTA - FE DKT. NO. 13-160-LNG - 3443 SEMI-ANNUAL REPORTS FOR TEXAS LNG - TEXAS LNG - FTA - FE DKT. NO. 13-160-LNG - 3443 PDF icon October 2014 PDF icon April ...

  14. SEMI-ANNUAL REPORTS FOR - EOS LNG - FTA - FE DKT. NO. 13-115...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    - EOS LNG - FTA - FE DKT. NO. 13-115-LNG - Order 3364 SEMI-ANNUAL REPORTS FOR - EOS LNG - FTA - FE DKT. NO. 13-115-LNG - Order 3364 PDF icon October 2014 PDF icon April 2015 PDF ...

  15. SEMI-ANNUAL REPORT - G2 LNG LLC - FE DKT. NO. 15-44-LNG - ORDER...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    REPORT - G2 LNG LLC - FE DKT. NO. 15-44-LNG - ORDER 3682 SEMI-ANNUAL REPORT - G2 LNG LLC - FE DKT. NO. 15-44-LNG - ORDER 3682 PDF icon October 2015 More Documents & Publications ...

  16. SEMI-ANNUAL REPORTS FOR LAKE CHARLES EXPORTS, LLC - FE DKT. NO...

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    LAKE CHARLES EXPORTS, LLC - FE DKT. NO. 11-59-LNG - ORDER 3324 SEMI-ANNUAL REPORTS FOR LAKE CHARLES EXPORTS, LLC - FE DKT. NO. 11-59-LNG - ORDER 3324 PDF icon October 2013 PDF icon ...

  17. SEMI-ANNUAL REPORTS FOR MAIN PASS ENERGY HUB, LLC - FE DKT. NO...

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    MAIN PASS ENERGY HUB, LLC - FE DKT. NO. 12-114-LNG - ORDER 3220 SEMI-ANNUAL REPORTS FOR MAIN PASS ENERGY HUB, LLC - FE DKT. NO. 12-114-LNG - ORDER 3220 PDF icon April 2014 PDF icon ...

  18. SEMI-ANNUAL REPORTS FOR MAGNOLIA LNG, LLC - FE DKT. NO. 12-183...

    Broader source: Energy.gov (indexed) [DOE]

    More Documents & Publications SEMI-ANNUAL REPORT FOR SCT&E LNG LLC - FE DKT. NO. 14-89-LNG - ORDER NO. 3566 SEMI-ANNUAL REPORT - GULF LNG LIQUEFACTION COMPANY, LLC - FE DKT. NO. ...

  19. Electric control of magnetism at the Fe/BaTiO3 interface (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electric control of magnetism at the FeBaTiO3 interface Citation Details In-Document Search Title: Electric control of magnetism at the FeBaTiO3 interface You are accessing a ...

  20. Carbon-Supported bimetallic Pd-Fe catalysts for vapor-phasehydrodeoxy...

    Office of Scientific and Technical Information (OSTI)

    Carbon-Supported bimetallic Pd-Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol Citation Details In-Document Search Title: Carbon-Supported bimetallic Pd-Fe catalysts ...

  1. SEMI-ANNUAL REPORTS FOR SOUTHERN LNG COMPANY - FE DKT. NO. 12...

    Office of Environmental Management (EM)

    SOUTHERN LNG COMPANY - FE DKT. NO. 12-54-LNG - ORDER 3106 SEMI-ANNUAL REPORTS FOR SOUTHERN LNG COMPANY - FE DKT. NO. 12-54-LNG - ORDER 3106 October 2012 (757.34 KB) April 2013 ...

  2. SEMI-ANNUAL REPORTS FOR MAGNOLIA LNG, LLC - FE DKT. NO. 12-183...

    Office of Environmental Management (EM)

    MAGNOLIA LNG, LLC - FE DKT. NO. 12-183-LNG - ORDER 3245; 13-131-LNG ORDER 3406 SEMI-ANNUAL REPORTS FOR MAGNOLIA LNG, LLC - FE DKT. NO. 12-183-LNG - ORDER 3245; 13-131-LNG ORDER ...

  3. Dominion Cove Point LNG, LP - FE Dkt. No 11-128-LNG | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Dominion Cove Point LNG, LP - FE Dkt. No 11-128-LNG Dominion Cove Point LNG, LP - FE Dkt. No 11-128-LNG ORDER CONDITIONALLY GRANTING LONG-TERM MULTI-CONTRACT AUTHORIZATION TO ...

  4. QER- Comment of Sustainable Santa Fe Programs Manager

    Broader source: Energy.gov [DOE]

    At the City of Santa Fe we have had difficulty in getting energy usage data from the investor-owned utility to be able to track progress towards energy use and greenhouse gas reduction goals. It would be helpful if that information were required to be publicly available at the Zip code level. Thanks.

  5. Important role of the non-uniform Fe distribution for the ferromagnetism in group-IV-based ferromagnetic semiconductor GeFe

    SciTech Connect (OSTI)

    Wakabayashi, Yuki K.; Ohya, Shinobu; Ban, Yoshisuke; Tanaka, Masaaki [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2014-11-07

    We investigate the growth-temperature dependence of the properties of the group-IV-based ferromagnetic semiconductor Ge{sub 1?x}Fe{sub x} films (x?=?6.5% and 10.5%), and reveal the correlation of the magnetic properties with the lattice constant, Curie temperature (T{sub C}), non-uniformity of Fe atoms, stacking-fault defects, and Fe-atom locations. While T{sub C} strongly depends on the growth temperature, we find a universal relationship between T{sub C} and the lattice constant, which does not depend on the Fe content x. By using the spatially resolved transmission-electron diffractions combined with the energy-dispersive X-ray spectroscopy, we find that the density of the stacking-fault defects and the non-uniformity of the Fe concentration are correlated with T{sub C}. Meanwhile, by using the channeling Rutherford backscattering and particle-induced X-ray emission measurements, we clarify that about 15% of the Fe atoms exist on the tetrahedral interstitial sites in the Ge{sub 0.935}Fe{sub 0.065} lattice and that the substitutional Fe concentration is not correlated with T{sub C}. Considering these results, we conclude that the non-uniformity of the Fe concentration plays an important role in determining the ferromagnetic properties of GeFe.

  6. Thickness-dependent coherent phonon frequency in ultrathin FeSe...

    Office of Scientific and Technical Information (OSTI)

    important role in understanding unconventional superconductivity in Fe-based materials. ... Subject: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY MATSCI; ...

  7. Structural and Mssbauer spectroscopic study of Fe-Ni alloy nanoparticles

    SciTech Connect (OSTI)

    Kumar, Asheesh; Banerjee, S. Sudarsan, V.; Meena, S. S.

    2014-04-24

    Nano-crystalline Fe-Ni alloys have been synthesized in ethylene glycol medium. Based on XRD studies it is confirmed that, in these alloys Fe atoms are incorporated at Ni site to form Ni-Fe solid solutions. Mssbauer studies have established that for alloy particles having smaller size there is significant concentration of two different types of paramagnetic Fe species and their relative concentration decreased with increase in particle size.

  8. High strength-high conductivity Cu--Fe composites produced by powder compaction/mechanical reduction

    DOE Patents [OSTI]

    Verhoeven, John D.; Spitzig, William A.; Gibson, Edwin D.; Anderson, Iver E.

    1991-08-27

    A particulate mixture of Cu and Fe is compacted and mechanically reduced to form an "in-situ" Cu-Fe composite having high strength and high conductivity. Compaction and mechanical reduction of the particulate mixture are carried out at a temperature and time at temperature selected to avoid dissolution of Fe into the Cu matrix particulates to a harmful extent that substantially degrades the conductivity of the Cu-Fe composite.

  9. High strength-high conductivity Cu-Fe composites produced by powder compaction/mechanical reduction

    DOE Patents [OSTI]

    Verhoeven, J.D.; Spitzig, W.A.; Gibson, E.D.; Anderson, I.E.

    1991-08-27

    A particulate mixture of Cu and Fe is compacted and mechanically reduced to form an ''in-situ'' Cu-Fe composite having high strength and high conductivity. Compaction and mechanical reduction of the particulate mixture are carried out at a temperature and time at temperature selected to avoid dissolution of Fe into the Cu matrix particulates to a harmful extent that substantially degrades the conductivity of the Cu-Fe composite. 5 figures.

  10. The local structure and ferromagnetism in Fe-implanted SrTiO? single crystals

    SciTech Connect (OSTI)

    Lobacheva, O. Chavarha, M.; Yiu, Y. M.; Sham, T. K.; Goncharova, L. V.

    2014-07-07

    We report a connection between the local structure of low-level Fe impurities and vacancies as the cause of ferromagnetic behavior observed in strontium titanate single crystals (STO), which were implanted with Fe and Si ions at different doses then annealed in oxygen. The effects of Fe doping and post-implantation annealing of STO were studied by X-ray Absorption Near Edge Structure (XANES) spectroscopy and Superconducting Quantum Interference Device magnetometry. XANES spectra for Fe and Ti K- and L-edge reveal the changes in the local environment of Fe and Ti following the implantation and annealing steps. The annealing in oxygen atmosphere partially healed implantation damages and changed the oxidation state of the implanted iron from metallic Fe? to Fe?/Fe? oxide. The STO single crystals were weak ferromagnets prior to implantation. The maximum saturation moment was obtained after our highest implantation dose of 210? Fe atom/cm, which could be correlated with the metallic Fe? phases in addition to the presence of O/Ti vacancies. After recrystallization annealing, the ferromagnetic response disappears. Iron oxide phases with Fe? and Fe? corresponding to this regime were identified and confirmed by calculations using Real Space Multiple Scattering program (FEFF9).

  11. Importance of Doping and Frustration in Itinerant Fe-doped Cr2Al

    SciTech Connect (OSTI)

    Susner, Michael A; Parker, David S; Safa-Sefat, Athena

    2015-01-01

    We have performed an experimental and theoretical study comparing the effects of Fe-doping of Cr2Al, an antiferromagnet with a N el temperature of 670 K, with known results on Fe-doping of antiferromagnetic bcc Cr. (Cr1-xFex)2Al materials are found to exhibit a rapid suppression of antiferromagnetic order with the presence of Fe, decreasing TN to 170 K for x=0.10. Antiferromagnetic behavior disappears entirely at x 0.125 after which point increasing paramagnetic behavior is exhibited. This is unlike the effects of Fe doping of bcc antiferromagnetic Cr, in which TN gradually decreases followed by the appearance of a ferromagnetic state. Theoretical calculations explain that the Cr2Al-Fe suppression of magnetic order originates from two effects: the first is band narrowing caused by doping of additional electrons from Fe substitution that weakens itinerant magnetism; the second is magnetic frustration of the Cr itinerant moments in Fe-substituted Cr2Al. In pure-phase Cr2Al, the Cr moments have an antiparallel alignment; however, these are destroyed through Fe substitution and the preference of Fe for parallel alignment with Cr. This is unlike bulk Fe-doped Cr alloys in which the Fe anti-aligns with the Cr atoms, and speaks to the importance of the Al atoms in the magnetic structure of Cr2Al and Fe-doped Cr2Al.

  12. Importance of Doping and Frustration in Itinerant Fe-doped Cr2Al

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Susner, Michael A; Parker, David S; Safa-Sefat, Athena

    2015-01-01

    We have performed an experimental and theoretical study comparing the effects of Fe-doping of Cr2Al, an antiferromagnet with a N el temperature of 670 K, with known results on Fe-doping of antiferromagnetic bcc Cr. (Cr1-xFex)2Al materials are found to exhibit a rapid suppression of antiferromagnetic order with the presence of Fe, decreasing TN to 170 K for x=0.10. Antiferromagnetic behavior disappears entirely at x 0.125 after which point increasing paramagnetic behavior is exhibited. This is unlike the effects of Fe doping of bcc antiferromagnetic Cr, in which TN gradually decreases followed by the appearance of a ferromagnetic state. Theoretical calculationsmore » explain that the Cr2Al-Fe suppression of magnetic order originates from two effects: the first is band narrowing caused by doping of additional electrons from Fe substitution that weakens itinerant magnetism; the second is magnetic frustration of the Cr itinerant moments in Fe-substituted Cr2Al. In pure-phase Cr2Al, the Cr moments have an antiparallel alignment; however, these are destroyed through Fe substitution and the preference of Fe for parallel alignment with Cr. This is unlike bulk Fe-doped Cr alloys in which the Fe anti-aligns with the Cr atoms, and speaks to the importance of the Al atoms in the magnetic structure of Cr2Al and Fe-doped Cr2Al.« less

  13. Magnetic behaviour of the rare earth binary R-Fe alloys

    SciTech Connect (OSTI)

    Cabral, F.A.O.; Turtelli, R.S.; Gama, S.; Machado, F.L.A. )

    1989-09-01

    Thermomagnetic analysis and coercive field measurements in rare-earth-rich alloys of the systems Fe-Ce, Fe-Pr and Fe-Nd suggest the presence of two different magnetically hard phases in all these systems. These phases can be metastable and their magnetic properties are strongly affected by heat-treatments at 600{sup 0}C.

  14. A synthesis of LiFePO{sub 4} starting from FePO{sub 4} under reducing atmosphere

    SciTech Connect (OSTI)

    Prosini, Pier Paolo; Cento, Cinzia; Masci, Amedeo; Carewska, Maria; Gislon, Paola

    2014-06-19

    A fast and easy way to produce LiFePO{sub 4} starting from FePO{sub 4}, used as iron and phosphorus source, is proposed. 5% hydrogen is employed as a reducing agent and various compounds containing lithium as lithiation agents. The selected lithiation agents included: LiCl, CH{sub 3}COOLi, LiOH, Li{sub 2}S, LiH, and Li{sub 2}CO{sub 3}. Solid state synthesis is used for the LiFePO{sub 4} preparation and the so obtained materials are structurally characterized by XRD. The materials are used to fabricate composite electrode and their specific capacity is evaluated by low rate galvanostatic charge/discharge cycles (C/10 rate). Among the various lithium salts, the acetate give rise to the LiFePO{sub 4} with the best electrochemical performance. The morphology of this material is further investigated by SEM microscopy and the specific capacity is evaluated as a function of the discharge rate and the cycle number.

  15. Molecular Dynamics Study of Fe(II) Adsorption, Electron Exchange, and Mobility at Goethite (alpha-FeOOH) Surfaces

    SciTech Connect (OSTI)

    Zarzycki, Piotr P.; Kerisit, Sebastien N.; Rosso, Kevin M.

    2015-02-12

    We present classical molecular simulations of the adsorption free energy profiles for the aqueous Fe(II) ion approaching key low index crystal faces of goethite at neutral surface charge conditions. Calculated profiles show minima corresponding to stable outer- and inner-sphere adsorbed structures. We analyzed the energetics and kinetics of most possible interfacial electron transfer reactions, as well as analyzing the same for subsurface migration pathways of injected electrons through calculating the Marcus free energy surfaces. We conclude that inner-sphere Fe(II)-complex formation is required for the interfacial electron transfer to occur, but the energetic cost of moving from the outer-sphere to inner-sphere geometry may prevent electron injection at some faces. We also show that some surfaces, especially (101), (100) and (001), are more energetically prone toward reduction than others. We demonstrate that subsurface charge migration in directions parallel to the surface, which run along the iron chains, is more energetically plausible than conduction through the resistive crystal bulk phase. Collectively this leads to the conclusion that Fe(II)-catalyzed recrystallization of goethite most likely proceeds by short path length electron migration through specific goethite surfaces along specific directions, until capture at Fe sites structurally susceptible to reduction and release.

  16. Ultra-thin L1{sub 0}-FePt for perpendicular anisotropy L1{sub 0}-FePt/Ag/[Co/Pd]{sub 30} pseudo spin valves

    SciTech Connect (OSTI)

    Ho, Pin; Chow, Gan Moog; Chen, Jing-Sheng, E-mail: msecj@nus.edu.sg [Department of Materials Science and Engineering, National University of Singapore, Singapore 117576 (Singapore); Han, Guchang [Data Storage Institute, Agency of Science, Technology and Research (A-STAR), Singapore 117608 (Singapore); He, Kaihua [School of Mathematics and Physics, China University of Geosciences, Wuhan 430074 (China)

    2014-05-07

    Perpendicular anisotropy L1{sub 0}-FePt/Ag/[Co/Pd]{sub 30} pseudo spin valves (PSVs) with ultra-thin L1{sub 0}-FePt alloy free layer possessing high anisotropy and thermal stability have been fabricated and studied. The thickness of the L1{sub 0}-FePt layer was varied between 2 and 4?nm. The PSV became increasingly decoupled with reduced L1{sub 0}-FePt thickness due to the larger difference between the coercivity of the L1{sub 0}-FePt and [Co/Pd]{sub 30} films. The PSV with an ultra-thin L1{sub 0}-FePt free layer of 2?nm displayed a high K{sub u} of 2.21??10{sup 7}?ergs/cm{sup 3}, high thermal stability of 84 and a largest giant magnetoresistance of 0.54%.

  17. Evolution of stable and metastable phases and coercivity in rare-earth-rich alloys of the Fe-Nd and Fe-Pr systems

    SciTech Connect (OSTI)

    Cabral, F.A.O. ); Gama, S. )

    1990-09-01

    The authors have studied eutectic alloys of the Fe-Nd and Fe-Pr systems regarding their magnetic behavior in the as-cast state and heat-treated at 600 C for different periods. In both systems the initial precipitation of a metastable phase is observed. This phase transforms into Fe{sub 17}Nd{sub 2} and this finally into a second phase with Fe{sub 17}Nd{sub 5} stoichiometry that is stable. For the Fe-Pr system the precipitation of two metastable phases that transform into the stable Fe{sub 17}Pr{sub 2} is observed. The authors have also measured the influence of these transformations on the coercivity of these alloys.

  18. Engineering of high performance supercapacitor electrode based on Fe-Ni/Fe{sub 2}O{sub 3}-NiO core/shell hybrid nanostructures

    SciTech Connect (OSTI)

    Singh, Ashutosh K. E-mail: aksingh@bose.res.in; Mandal, Kalyan

    2015-03-14

    The present work reports on fabrication and supercapacitor applications of a core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures (HNs) electrode. The core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures have been fabricated through a two step method (nanowire fabrication and their controlled oxidation). The 1D hybrid nanostructure consists of highly porous shell layer (redox active materials NiO and Fe{sub 2}O{sub 3}) and the conductive core (FeNi nanowire). Thus, the highly porous shell layer allows facile electrolyte diffusion as well as faster redox reaction kinetics; whereas the conductive FeNi nanowire core provides the proficient express way for electrons to travel to the current collector, which helps in the superior electrochemical performance. The core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures electrode based supercapacitor shows very good electrochemical performances in terms of high specific capacitance nearly 1415?F g{sup ?1} at a current density of 2.5?A g{sup ?1}, excellent cycling stability and rate capability. The high quality electrochemical performance of core/shell hybrid nanostructures electrode shows its potential as an alternative electrode for forthcoming supercapacitor devices.

  19. Assembly and Evolution of Complex Fe-S Clusters as Revealed by X-ray

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Crystallography Assembly and Evolution of Complex Fe-S Clusters as Revealed by X-ray Crystallography Complex Fe-S cluster-containing enzymes are ubiquitous in nature where they are involved in a number of fundamental reactions for life including carbon dioxide fixation, nitrogen fixation, and hydrogen metabolism. One of the more complex and unusual biological clusters is found in the [FeFe]-hydrogenase. The active-site H-cluster in these enzymes has a [4Fe-4S] subcluster bridged via a

  20. Metal insulator transition and magnetotransport anomalies in perovskite SrIr{sub 0.5}Ru{sub 0.5}O{sub 3} thin films

    SciTech Connect (OSTI)

    Biswas, Abhijit; Lee, Yong Woo; Kim, Sang Woo; Jeong, Yoon Hee

    2015-03-21

    We investigated the nature of transport and magnetic properties in SrIr{sub 0.5}Ru{sub 0.5}O{sub 3} (SIRO), which has characteristics intermediate between a correlated non-Fermi liquid state and an itinerant Fermi liquid state, by growing perovskite thin films on various substrates (e.g., SrTiO{sub 3} (001), (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}TaAlO{sub 6}){sub 0.7} (001), and LaAlO{sub 3} (001)). We observed systematic variation of underlying substrate dependent metal-to-insulator transition temperatures (T{sub MIT} ∼ 80 K on SrTiO{sub 3}, ∼90 K on (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}TaAlO{sub 6}){sub 0.7}, and ∼100 K on LaAlO{sub 3}) in resistivity. At temperature 300 K ≥ T ≥ T{sub MIT}, SIRO is metallic and its resistivity follows a T{sup 3/2} power law, whereas insulating nature at T < T{sub MIT} is due to the localization effect. Magnetoresistance (MR) measurement of SIRO on SrTiO{sub 3} (001) shows negative MR at T < 25 K and positive MR at T > 25 K, with negative MR ∝ B{sup 1/2} and positive MR ∝ B{sup 2}; consistent with the localized-to-normal transport crossover dynamics. Furthermore, observed spin glass like behavior of SIRO on SrTiO{sub 3} (001) at T < 25 K in the localized regime validates the hypothesis that (Anderson) localization favors glassy ordering. These remarkable features provide a promising approach for future applications and of fundamental interest in oxide thin films.