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  1. Super Wi-Fi is Super for Energy Too | Department of Energy

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

    Wi-Fi is Super for Energy Too Super Wi-Fi is Super for Energy Too September 24, 2010 - 11:45am Addthis Super Wi-Fi is Super for Energy Too Nick Sinai U.S. Deputy Chief Technology Officer, White House Office of Science and Technology Policy What does this mean for me? By integrating broadband into the emerging Smart Grid, consumers will have revolutionized communication with their utility -- they will have detailed information on their energy use that will help inform them how they can save on

  2. CRAD, NNSA - Conduct of Engineering (CE) | Department of Energy

    Office of Environmental Management (EM)

    Conduct of Engineering (CE) CRAD, NNSA - Conduct of Engineering (CE) CRAD for Conduct of Engineering (CE). Criteria Review and Approach Documents (CRADs) that can be used to...

  3. Photoelectron spectra of CeO{sup −} and Ce(OH){sub 2}{sup −}

    SciTech Connect (OSTI)

    Ray, Manisha; Felton, Jeremy A.; Kafader, Jared O.; Topolski, Josey E.; Jarrold, Caroline Chick

    2015-02-14

    The photoelectron spectrum of CeO{sup −} exhibits what appears to be a single predominant electronic transition over an energy range in which numerous close-lying electronic states of CeO neutral are well known. The photoelectron spectrum of Ce(OH){sub 2}{sup −}, a molecule in which the Ce atom shares the same formal oxidation state as the Ce atom in CeO{sup −}, also exhibits what appears to be a single transition. From the spectra, the adiabatic electron affinities of CeO and Ce(OH){sub 2} are determined to be 0.936 ± 0.007 eV and 0.69 ± 0.03 eV, respectively. From the electron affinity of CeO, the CeO{sup −} bond dissociation energy was determined to be 7.7 eV, 0.5 eV lower than the neutral bond dissociation energy. The ground state orbital occupancies of both CeO{sup −} and Ce(OH){sub 2}{sup −} are calculated to have 4f 6s{sup 2} Ce{sup +} superconfigurations, with open-shell states having 4f5d6s superconfiguration predicted to be over 1 eV higher in energy. Low-intensity transitions observed at higher electron binding energies in the spectrum of CeO{sup −} are tentatively assigned to the {sup 1}Σ{sup +} (Ω = 0) state of CeO with the Ce{sup +2}⍰6s{sup 2} superconfiguration.

  4. FI L

    Office of Legacy Management (LM)

    ... LOCATION Vega Dam Road Road to Oil Shale Corp. Route 65-330 Intersection -1 mile east of ... Green River Formation, a series of dark colored oil shales, marlstones, and sandstones. ...

  5. Hybridized Nature of Pseudogap in Kondo Insulators CeRhSb and CeRhAs

    SciTech Connect (OSTI)

    Kumigashira, H.; Takahashi, T.; Yoshii, S.; Kasaya, M.

    2001-08-06

    We studied the electronic structure of Kondo insulators CeRhSb and CeRhAs using high-resolution photoemission spectroscopy. We found that the 4f -derived density of states shows a depletion (pseudogap) at E{sub F} in contrast to metallic Kondo materials. It was found that the size of the f pseudogap is smaller than that of conduction electrons (c pseudogap) while both scale well with the Kondo temperature. The present results indicate that the hybridization between 4f and conduction electrons near E{sub F} is essential for the Kondo gap in the Ce-based compounds.

  6. Utility: Order (2016-CE-42007) | Department of Energy

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

    CE-42007) Utility: Order (2016-CE-42007) January 5, 2016 DOE ordered Utility Refrigerator to pay a $8,000 civil penalty after finding Utility had failed to certify that certain models of commercial refrigerator equipment comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Utility. Utility: Order (2016-CE-42007) (22.13 KB) More Documents & Publications Utility: Proposed Penalty (2016-CE-42007) Bu

  7. RPI: Order (2015-CE-42065) | Department of Energy

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

    Order (2015-CE-42065) RPI: Order (2015-CE-42065) November 6, 2015 DOE ordered RPI Industries, Inc. to pay a $8,000 civil penalty after finding RPI had failed to certify that certain models of commercial refrigeration equipment comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and RPI. RPI: Order (2015-CE-42065) (21.12 KB) More Documents & Publications RPI: Proposed Penalty (2015-CE-42065) Wolverine

  8. SpArcFiRe: Scalable automated detection of spiral galaxy arm segments

    SciTech Connect (OSTI)

    Davis, Darren R.; Hayes, Wayne B. E-mail: whayes@uci.edu

    2014-08-01

    Given an approximately centered image of a spiral galaxy, we describe an entirely automated method that finds, centers, and sizes the galaxy (possibly masking nearby stars and other objects if necessary in order to isolate the galaxy itself) and then automatically extracts structural information about the spiral arms. For each arm segment found, we list the pixels in that segment, allowing image analysis on a per-arm-segment basis. We also perform a least-squares fit of a logarithmic spiral arc to the pixels in that segment, giving per-arc parameters, such as the pitch angle, arm segment length, location, etc. The algorithm takes about one minute per galaxies, and can easily be scaled using parallelism. We have run it on all ?644,000 Sloan objects that are larger than 40 pixels across and classified as 'galaxies'. We find a very good correlation between our quantitative description of a spiral structure and the qualitative description provided by Galaxy Zoo humans. Our objective, quantitative measures of structure demonstrate the difficulty in defining exactly what constitutes a spiral 'arm', leading us to prefer the term 'arm segment'. We find that pitch angle often varies significantly segment-to-segment in a single spiral galaxy, making it difficult to define the pitch angle for a single galaxy. We demonstrate how our new database of arm segments can be queried to find galaxies satisfying specific quantitative visual criteria. For example, even though our code does not explicitly find rings, a good surrogate is to look for galaxies having one long, low-pitch-angle armwhich is how our code views ring galaxies. SpArcFiRe is available at http://sparcfire.ics.uci.edu.

  9. Role of Ce4+ in the scintillation mechanism of codoped Gd3Ga3Al2O12:Ce

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

    Wu, Yuntao; Meng, Fang; Li, Qi; Koschan, Merry; Melcher, Charles L.

    2014-10-17

    To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce4+, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce4+ is still lacking. The aim of this work is to clarify the role of Ce4+ in scintillators by studying Ca2+ codoped Gd3Ga3Al2O12∶Ce (GGAG∶Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca2+codoping content and the Ce4+ fraction is seen. The energy-levelmore »diagrams of Ce3+ and Ce4+ in the Gd3Ga3Al2O12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d1 state of Ce4+ in the forbidden gap in comparison to that of Ce3+. Underlying reasons for the decay-time acceleration resulting from Ca2+ codoping are revealed, and the physical processes of the Ce4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.« less

  10. Role of Ce4+ in the scintillation mechanism of codoped Gd3Ga3Al2O12:Ce

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

    Wu, Yuntao; Meng, Fang; Li, Qi; Koschan, Merry; Melcher, Charles L.

    2014-10-17

    To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce4+, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce4+ is still lacking. The aim of this work is to clarify the role of Ce4+ in scintillators by studying Ca2+ codoped Gd3Ga3Al2O12∶Ce (GGAG∶Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca2+codoping content and the Ce4+ fraction is seen. The energy-levelmore » diagrams of Ce3+ and Ce4+ in the Gd3Ga3Al2O12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d1 state of Ce4+ in the forbidden gap in comparison to that of Ce3+. Underlying reasons for the decay-time acceleration resulting from Ca2+ codoping are revealed, and the physical processes of the Ce4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.« less

  11. Herbeau: Order (2015-CE-28005) | Department of Energy

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

    Order (2015-CE-28005) Herbeau: Order (2015-CE-28005) March 9, 2016 DOE ordered Herbeau Creations of America, Inc. to pay a $8,000 civil penalty after finding Herbeau had failed to certify that certain models of faucets and showerheads comply with the applicable water conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Herbeau. Herbeau: Order (2015-CE-28005) (16.61 KB) More Documents & Publications Herbeau: Proposed Penalty

  12. Crane: Order (2016-CE-52001) | Department of Energy

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

    Order (2016-CE-52001) Crane: Order (2016-CE-52001) January 21, 2016 DOE ordered Crane Merchandising Systems, Inc. to pay a $16,000 civil penalty after finding Crane had failed to certify that certain models of refrigerated bottled or canned beverage vending machines comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Crane. Crane: Order (2016-CE-52001) (23.16 KB) More Documents & Publications

  13. Atosa: Order (2015-CE-42037) | Department of Energy

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

    Order (2015-CE-42037) Atosa: Order (2015-CE-42037) August 31, 2015 DOE ordered Atosa Catering Equipment, Inc. to pay a $8,000 civil penalty after finding Atosa had failed to certify that certain models of self-contained commercial refrigeration equipment with doors comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Atosa. Atosa: Order (2015-CE-42037) (26.71 KB) More Documents & Publications

  14. Temspec: Order (2016-CE-43002) | Department of Energy

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

    Order (2016-CE-43002) Temspec: Order (2016-CE-43002) March 21, 2016 DOE ordered Temspec Incorporated to pay a $8,000 civil penalty after finding Temspec had failed to certify that certain models of single package vertical air conditioning and heating equipment comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Temspec. Temspec: Order (2016-CE-43002) (92.11 KB) More Documents & Publications

  15. PQL: Order (2013-CE-27001) | Department of Energy

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

    PQL: Order (2013-CE-27001) PQL: Order (2013-CE-27001) August 7, 2015 DOE ordered P.Q.L, Inc. to pay a $12,500 civil penalty after finding PQL had failed to certify that certain models of medium base compact fluorescent lamps comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and PQL. PQL: Order (2013-CE-27001) (17.34 KB) More Documents & Publications PQL: Proposed Penalty (2013-CE-27001) PQL: Order

  16. Evidence of dynamical spin shielding in Ce from spin-resolved...

    Office of Scientific and Technical Information (OSTI)

    Evidence of dynamical spin shielding in Ce from spin-resolved photoelectron spectroscopy Citation Details In-Document Search Title: Evidence of dynamical spin shielding in Ce from ...

  17. Maxlite: Order (2010-CE-2701) | Department of Energy

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

    Maxlite: Order (2010-CE-2701) Maxlite: Order (2010-CE-2701) In the Matter of Maxlite, SK America, Inc. (general service flourescent lamps), DOE Case Number 2010-CE-2701, Adopting Order and Compromise Agreement. Order adopting accompanying Compromise Agreement. DOE found that Maxlite failed to submit compliance certifications for its products under 10 C.F.R. Section 430.62, and here assesses a civil penalty of $5,000 (if paid within 30 days) or of $10,000 (if paid between 31-60 days). Maxlite

  18. Processing of transparent polycrystalline AlON:Ce3+ scintillators

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

    Chen, Ching -Fong; Yang, Pin; King, Graham; Tegtmeier, Eric L.

    2015-10-23

    A new polycrystalline ceramic scintillator is reported for potential use in radiation detection and medical imaging applications. The goal was to develop cerium-activated aluminum oxynitride (AlON:Ce3+) ceramics, which can be produced using ceramic processes in comparison to the high-cost, low-yield single-crystal growth technique. A phase pure AlON:Ce3+ powder with cubic symmetry was successfully synthesized at high temperature under a reducing atmosphere to convert Ce4+ to Ce3+ in the solid solution. We explored two different activator concentrations (0.5 and 1.0 mol%). Fully dense and transparent AlON:Ce3+ ceramics were produced by a liquid-phase-assisted pressureless sintering. The crystal field splitting around the Ce3+more » activator in the AlON was comparable to the splitting induced by Br₋ and the Cl₋ ligands, which produced an emission spectrum perfectly matching the maximum quantum efficiency range of the photomultiplier tube for radiation detection. Both optical excitation and radiation ionizations in AlON:Ce3+ were demonstrated. Lastly, challenges and mechanisms related to the radioluminescence efficiency are discussed.« less

  19. Almo: Order (2012-CE-1416) | Department of Energy

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

    PDF icon 2012-CE-1416AlmoOrder More Documents & Publications Almo: Proposed Penalty (2012-CE-1416) International Refrigeration: Order (2012-CE-1510) Commercial Display Systems: ...

  20. School Air: Proposed Penalty (2016-CE-43004) | Department of...

    Energy Savers [EERE]

    School Air: Proposed Penalty (2016-CE-43004) (15.74 KB) More Documents & Publications School Air: Order (2016-CE-43004) Temspec: Proposed Penalty (2016-CE-43002) Crane: Proposed ...

  1. Atosa: Proposed Penalty (2015-CE-42037) | Department of Energy

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

    Atosa: Proposed Penalty (2015-CE-42037) (15.43 KB) More Documents & Publications Atosa: Order (2015-CE-42037) Utility: Proposed Penalty (2016-CE-42007) Crane: Proposed Penalty ...

  2. RPI: Proposed Penalty (2015-CE-42065) | Department of Energy

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

    RPI: Proposed Penalty (2015-CE-42065) (16.14 KB) More Documents & Publications RPI: Order (2015-CE-42065) Utility: Proposed Penalty (2016-CE-42007) Crane: Proposed Penalty ...

  3. Paragon Sales: Order (2012-CE-1417) | Department of Energy

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

    Order (2012-CE-1417) July 30, 2012 DOE ordered Paragon Sales Co., Inc., to pay a 6,000 civil penalty after finding Paragon Sales had failed to certify that certain models of...

  4. Danby Products: Order (2012-CE-1415) | Department of Energy

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

    Order (2012-CE-1415) August 9, 2012 DOE ordered Danby Products to pay a 9,900 civil penalty after finding Danby had failed to certify that certain models of refrigerators...

  5. Temspec: Proposed Penalty (2016-CE-43002) | Department of Energy

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

    Proposed Penalty (2016-CE-43002) Temspec: Proposed Penalty (2016-CE-43002) February 5, 2016 DOE alleged in a Notice of Proposed Civil Penalty that Temspec Incorporated failed to certify various basic models of single package vertical air conditioning and heating equipment as compliant with the applicable energy conservation standards. DOE regulations require a manufacturer (which includes importers) to submit reports certifying that its products have been tested and meet the applicable energy

  6. Utility: Proposed Penalty (2016-CE-42007) | Department of Energy

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

    Proposed Penalty (2016-CE-42007) Utility: Proposed Penalty (2016-CE-42007) November 30, 2015 DOE alleged in a Notice of Proposed Civil Penalty that Utility Refrigerator failed to certify certain commercial refrigerator equipment as compliant with the applicable energy conservation standards. DOE regulations require a manufacturer (which includes importers) to submit reports certifying that its products have been tested and meet the applicable energy conservation standards. This civil penalty

  7. Fujitsu: Order (2015-CE-16014) | Department of Energy

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

    Fujitsu: Order (2015-CE-16014) Fujitsu: Order (2015-CE-16014) October 27, 2015 DOE ordered Fujitsu General America, Inc. to pay a $8,000 civil penalty after finding Fujitsu had failed to certify that certain models of central air conditioners and heat pumps comply with the applicable energy conservation standards prior to distributing them in commerce. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Fujitsu. DOE regulations require a manufacturer (which

  8. Lochinvar: Order (2016-CE-24001) | Department of Energy

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

    Lochinvar: Order (2016-CE-24001) Lochinvar: Order (2016-CE-24001) November 2, 2015 DOE ordered Lochinvar, LLC, to pay a $8,000 civil penalty after finding Lochinvar had failed to certify that certain models of pool heaters comply with the applicable energy conservation standard. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Lochinvar. DOE regulations require a manufacturer (which includes importers) to submit reports certifying that its products have

  9. Comparison of the high-pressure behavior of the cerium oxides Ce2O3 and CeO2

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

    Lipp, M. J.; Jeffries, J. R.; Cynn, H.; Park Klepeis, J. -H.; Evans, W. J.; Mortensen, D. R.; Seidler, G. T.; Xiao, Y.; Chow, P.

    2016-02-09

    We studied the high-pressure behavior of Ce2O3 using angle-dispersive x-ray diffraction to 70 GPa and compared with that of CeO2. Up to the highest pressure Ce2O3 remains in the hexagonal phase (space group 164, P ¯32/m1) typical for the lanthanide sesquioxides. We did not observe a theoretically predicted phase instability for 30 GPa. The isothermal bulk modulus and its pressure derivative for the quasihydrostatic case are B0 = 111 ± 2 GPa, B'0 = 4.7 ± 0.3, and for the case without pressure-transmitting medium B0 = 104 ±4 GPa, B'0 = 6.5 ± 0.4. Starting from ambient-pressure magnetic susceptibility measurementsmore » for both oxides in highly purified form,we find that the Ce atom in Ce2O3 behaves like a trivalent Ce3+ ion (2.57μB per Ce atom) in contrast to previously published data. Since x-ray emission spectroscopy of the Lγ (4d3/2 → 2p1/2) transition is sensitive to the 4f -electron occupancy, we also followed the high-pressure dependence of this line for both oxides up to 50 GPa. We observed no change of the respective line shape, indicating that the 4f -electron configuration is stable for both materials. We posit from this data that the 4f electrons do not drive the volume collapse of CeO2 from the high-symmetry, low-pressure fluorite structure to the lower-symmetry orthorhombic phase.« less

  10. Effects of CeO2 Support Facets on VOx/CeO2 Catalysts in Oxidative Dehydrogenation of Methanol

    SciTech Connect (OSTI)

    Li, Yan; Wei, Zhehao; Gao, Feng; Kovarik, Libor; Peden, Charles HF; Wang, Yong

    2014-05-13

    CeO2 supports with dominating facets, i.e., low index (100), (110) and (111) facets, are prepared. The facet effects on the structure and catalytic performance of supported vanadium oxide catalysts are investigated using oxidative dehydrogenation of methanol as a model reaction. In the presence of mixed facets, Infrared and Raman characterizations demonstrate that surface vanadia species preferentially deposit on CeO2 (100) facets, presumably because of its higher surface energy. At the same surface vanadium densities, VOx species on (100) facets show better dispersion, followed by (110) and (111) facets. The VOx species on CeO2 nanorods with (110) and (100) facets display higher activity and lower apparent activation energies compared to that on CeO2 nanopolyhedras with dominating (111) facets and CeO2 nanocubes with dominating (100) facets. The higher activity for VOx/CeO2(110) might be related to the more abundant oxygen vacancies present on the (110) facets, evidenced from Raman spectroscopic measurements.

  11. Homoleptic Ce(III) and Ce(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State

    SciTech Connect (OSTI)

    Bogart, Justin A.; Lewis, Andrew J.; Medling, Scott A.; Piro, Nicholas A.; Carroll, Patrick J.; Booth, Corwin H.; Schelter, Eric J.

    2014-06-25

    Electrochemical experiments performed on the complex Ce-IV[2-((BuNO)-Bu-t)py](4), where [2-((BuNO)-Bu-t)py](-) = N-tert-butyl-N-2-pyridylnitroxide, indicate a 2.51 V stabilization of the 4+ oxidation state of Ce compared to [(Bu4N)-Bu-n](2)[Ce(NO3)(6)] in acetonitrile and a 2.95 V stabilization compared to the standard potential for the ion under aqueous conditions. Density functional theory calculations suggest that this preference for the higher oxidation state is a result of the tetrakis(nitroxide) ligand framework at the Ce cation, which allows for effective electron donation into, and partial covalent overlap with, vacant 4f orbitals with delta symmetry. The results speak to the behavior of CeO2 and related solid solutions in oxygen uptake and transport applications, in particular an inherent local character of bonding that stabilizes the 4+ oxidation state. The results indicate a cerium(IV) complex that has been stabilized to an unprecedented degree through tuning of its ligand-field environment.

  12. Effect of Sodium on the Catalytic Properties of VOx/CeO2 Catalysts...

    Office of Scientific and Technical Information (OSTI)

    addition greatly alters the nature of the active sites by V-O-Ce bond cleavage and V-O-Na bond formation, leading to significantly reduced activity of the VOxCeO2 catalysts. ...

  13. Investigation of the physical properties of the tetragonal CeMAl4Si2...

    Office of Scientific and Technical Information (OSTI)

    the tetragonal CeMAl4Si2 (M Rh, Ir, Pt) compounds Prev Next Title: Investigation of the physical properties of the tetragonal CeMAl4Si2 (M Rh, Ir, Pt) compounds The ...

  14. Evaluation of production samples of the scintillators LaBr3:Ce andLaCl3:Ce

    SciTech Connect (OSTI)

    Choong, Woon-Seng; Derenzo, Stephen E.; Moses, William W.

    2005-09-15

    We report on the evaluation of the performance of two recently developed scintillator materials, LaCl{sub 3}:Ce and LaBr{sub 3}:Ce, at the task of gamma ray spectroscopy. Their performance is compared to a standard scintillator used for gamma ray spectroscopy--a 25 mm diameter 25 mm tall cylinder of NaI:Tl. We measure the pulse height, energy resolution, and full-energy efficiency of production LaBr{sub 3}:Ce and LaCl{sub 3}:Ce scintillation crystals of different sizes and geometries for a variety of gamma-ray energies. Using production rather than specially selected crystals will establish whether immediate large-scale use is feasible. The crystal is excited by gamma rays from one of six isotopic sources ({sup 125}I, {sup 241}Am, {sup 57}Co, {sup 22}Na, {sup 137}Cs, and {sup 60}Co) placed 15 cm away from the scintillator. Our measurements show that both LaCl{sub 3} and LaBr{sub 3} outperform NaI:Tl in almost all cases. They outperform NaI:Tl at all energies for the photopeak fraction and counting rate measurements, and for energy resolution at higher energies (above 200 keV for LaCl{sub 3} and 75 keV for LaBr{sub 3}). The performance of production crystals is excellent and these scintillators should be considered for immediate use in systems where stopping power and energy resolution are crucial.

  15. Angle Resolved Thermal Conductivity of CeCoIn5 along the Nodal...

    Office of Scientific and Technical Information (OSTI)

    Angle Resolved Thermal Conductivity of CeCoIn5 along the Nodal Direction Citation Details In-Document Search Title: Angle Resolved Thermal Conductivity of CeCoIn5 along the Nodal ...

  16. NMR studies of field induced magnetism in CeCoIn5 (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: NMR studies of field induced magnetism in CeCoIn5 Citation Details In-Document Search Title: NMR studies of field induced magnetism in CeCoIn5 You are accessing ...

  17. Neutron scattering of CeNi at the SNS-ORNL: A preliminary report

    SciTech Connect (OSTI)

    Mirmelstein, A. [Russian Federal Nuclear Center VNIITF, Snezhinsk, Russia; Podlesnyak, Andrey A [ORNL; Kolesnikov, Alexander I [ORNL; Saporov, B. [Oak Ridge National Laboratory (ORNL); Sefat, A.S. [Oak Ridge National Laboratory (ORNL); Tobin, J. G. [Lawrence Livermore National Laboratory (LLNL)

    2014-01-01

    This is a preliminary report of a neutron scattering experiment used to investigate 4f electron behavior in Ce.

  18. METAL MEDIA FILTERS, AG-1 SECTION FI

    SciTech Connect (OSTI)

    Adamson, D.

    2012-05-23

    One application of metal media filters is in various nuclear air cleaning processes including applications for protecting workers, the public and the environment from hazardous and radioactive particles. To support this application the development of the ASME AG-1 FI Standard on Metal Media has been under way for more than ten years. Development of the proposed section has required resolving several difficult issues associated with operating conditions (media velocity, pressure drop, etc.), qualification testing, and quality acceptance testing. Performance characteristics of metal media are dramatically different than the glass fiber media with respect to parameters like differential pressures, operating temperatures, media strength, etc. These differences make existing data for a glass fiber media inadequate for qualifying a metal media filter for AG-1. In the past much work has been conducted on metal media filters at facilities such as Lawrence Livermore National Laboratory (LLNL) and Savannah River National Laboratory (SRNL) to qualify the media as High Efficiency Particulate Air (HEPA) Filters. Particle retention testing has been conducted at Oak Ridge Filter Test Facility and at Air Techniques International (ATI) to prove that the metal media meets or exceeds the 99.97% particle retention required for a HEPA Filter. Even with his testing, data was lacking to complete an AG-1 FI Standard on metal media. With funding secured by Mississippi State University (MSU) from National Nuclear Security Administration (NNSA), a research test stand is being designed and fabricated at MSU's Institute for Clean Energy Technology (ICET) Facility to obtain qualification data on metal media. This in turn will support required data needed for the FI Standard. The paper will discuss in detail how the test stand at MSU will obtain the necessary data to complete the FI Standard.

  19. Thermoelectric Couple Demonstration of (In, Ce)-based Skutterudite

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

    Powered Vehicle | Department of Energy Presentation given at the 16th Directions in Engine-Efficiency and Emissions Research (DEER) Conference in Detroit, MI, September 27-30, 2010. deer10_schock.pdf (2.44 MB) More Documents & Publications Thermoelectric Conversion of Waste Materials for Automotive Energy Recovery | Department of Energy

    Presents recent accomplishments and couple test results with these (In, Ce)-based skutterudite TE materials and potential impacts TE power system

  20. CRAD, NNSA- Feedback and Improvement Programs (F&I)

    Broader source: Energy.gov [DOE]

    CRAD for Feedback and Improvement Programs (F&I). Criteria Review and Approach Documents (CRADs) that can be used to conduct a well-organized and thorough assessment of elements of safety and health programs.

  1. Goodman Manufacturing: Order (2012-CE-1509) | Department of Energy

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

    2-CE-1509) Goodman Manufacturing: Order (2012-CE-1509) August 7, 2012 DOE ordered Goodman Manufacturing Company L.P. to pay an 8,000 civil penalty after finding Goodman...

  2. LADWP- Feed-in Tariff (FiT) Program

    Office of Energy Efficiency and Renewable Energy (EERE)

    LADWP is providing a Feed-in Tariff (FiT) program to support the development of renewable energy projects in its territory. All technologies eligible for compliance with the state's renewables po...

  3. Preparation and thermochromic properties of Ce-doped VO{sub 2} films

    SciTech Connect (OSTI)

    Song, Linwei; Zhang, Yubo; Huang, Wanxia; Shi, Qiwu; Li, Danxia; Zhang, Yang; Xu, Yuanjie

    2013-06-01

    Graphical abstract: This effect of doping concentration on the phase transition temperature of VO{sub 2} films demonstrates that the phase transition temperature is decreasing along with the increase of the Ce dopant concentrations. After doping Ce, the transition temperature of VO{sub 2} film changes appreciably. Highlights: ► Ce-doped VO{sub 2} films were prepared on muscovite substrate by inorganic sol–gel method for the first time. ► The cerium existing in the VO{sub 2} films in the form of Ce{sup 4+} and Ce{sup 3+} was substituted for part of V atoms in the lattice. ► Ce doping could remarkably reduce the particle size of the Ce-doped films compared with undoped films. ► The phase transition temperature of Ce-doped VO{sub 2} films decreased appreciably with maintaining high-quality phase transition. - Abstract: Mixture of cerium (III) nitrate hexahydrate and vanadium pentaoxide powder were used as precursor to prepare Ce-doped VO{sub 2} films on the muscovite substrate by inorganic sol–gel method. SEM, XRD and XPS were used to investigate the morphologies and structures of VO{sub 2} films. The results show that the VO{sub 2} films grow on the muscovite substrate with preferred orientated (0 1 1) plane and the Ce exists in the form of Ce{sup 4+} and Ce{sup 3+} replacing part of V atoms in the lattice. The infrared transmittance change was measured from room temperature to the temperature above the metal–insulator transition. The films have excellent thermochromic performance. The metal–insulator transition temperature of VO{sub 2} films changes appreciably with Ce doped, which decreases by 4.5 °C per 1 at.% doping. Furthermore, Ce doping could remarkably reduce the particle size of VO{sub 2} films.

  4. CE Geothermal | Open Energy Information

    Open Energy Info (EERE)

    Geothermal Jump to: navigation, search Name: CE Geothermal Place: California Sector: Geothermal energy Product: CE Geothermal previously owned the assets of Western States...

  5. On the heat capacity of Ce{sub 3}Al

    SciTech Connect (OSTI)

    Singh, Durgesh Samatham, S. Shanmukharao Venkateshwarlu, D. Gangrade, Mohan Ganesan, V.

    2014-04-24

    Electrical resistivity and heat capacity measurements on Cerium based dense Kondo compound Ce{sub 3}Al have been reported. Clear signatures of first order structural transition at 108K, followed by a Kondo minimum and coherence are clearly seen in resistivity. The structural transition is robust and is not affected by magnetic fields. Heat capacity measurements reveal an anomalous enhancement in the heavy fermion character upon magnetic fields. Vollhardt invariance in specific heat C(T.H) curves have been observed at T=3.7K and at H ≈ 6T.

  6. Thermoelectric Couple Demonstration of (In, Ce)-based Skutterudite...

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

    Presents recent accomplishments and couple test results with these (In, Ce)-based skutterudite TE materials and potential impacts TE power system performance in military and ...

  7. Magnetic properties and photoabsorption of the Mn-doped CeO{sub 2} nanorods

    SciTech Connect (OSTI)

    Xia, Chuanhui; Science College of Chongqing Jiaotong University, Chongqing 400074 ; Hu, Chenguo; Chen, Peng; Wan, Buyong; He, Xiaoshan; Tian, Yongshu; Chongqing Communication College, Chongqing 400035

    2010-07-15

    Mn-doped CeO{sub 2} nanorods have been prepared from CeO{sub 2} particles through a facile composite-hydroxide-mediated (CHM) approach. The analysis from X-ray photoelectron spectroscopy indicates that the manganese doped in CeO{sub 2} exists as Mn{sup 2+}. The magnetic measurement of the Mn-doped CeO{sub 2} nanorods exhibits an enhanced ferromagnetic property at room temperature with a remanence magnetization (Mr) of 1.36 x 10{sup -3} emu/g and coercivity (Hc) of 22 Oe. Comparative UV-visible spectra reveal the shift of the absorption peak of the CeO{sub 2} from ultraviolet region to visible light region after being doped with Mn. The room temperature ferromagnetic properties and light absorption of the Mn-doped CeO{sub 2} nanorods would have potential applications in photocatalysis and building of photovoltaic devices.

  8. Proactive Design of n-Type (In, Ce) Filled Skutterudites Enabling...

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

    More Documents & Publications Proactive Design of n-Type (In, Ce) Filled Skutterudites Enabling High-Temperature Waste Heat Recovery Thermoelectric Couple Demonstration of (In, ...

  9. DE-EM-0001971 WIPP M&O F-i PART I - THE SCHEDULE SECTION F

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

    F-i PART I - THE SCHEDULE SECTION F DELIVERIES OR PERFORMANCE Table of Content F.1 PERIOD OF PERFORMANCE ......

  10. Ethanol Steam Reforming on Co/CeO2: The Effect of ZnO Promoter

    SciTech Connect (OSTI)

    Davidson, Stephen; Sun, Junming; Wang, Yong

    2013-12-02

    A series of ZnO promoted Co/CeO2 catalysts were synthesized and characterized using XRD, TEM, H2-TPR, CO chemisorption, O2-TPO, IR-Py, and CO2-TPD. The effects of ZnO on the catalytic performances of Co/CeO2 were studied in ethanol steam reforming. It was found that the addition of ZnO facilitated the oxidation of Co0 via enhanced oxygen mobility of the CeO2 support which decreased the activity of Co/CeO2 in C–C bond cleavage of ethanol. 3 wt% ZnO promoted Co/CeO2 exhibited minimum CO and CH4 selectivity and maximum CO2 selectivity. This resulted from the combined effects of the following factors with increasing ZnO loading: (1) enhanced oxygen mobility of CeO2 facilitated the oxidation of CHx and CO to form CO2; (2) increased ZnO coverage on CeO2 surface reduced the interaction between CHx/CO and Co/CeO2; and (3) suppressed CO adsorption on Co0 reduced CO oxidation rate to form CO2. In addition, the addition of ZnO also modified the surface acidity and basicity of CeO2, which consequently affected the C2–C4 product distributions.

  11. Center for Excitonics (CE) | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Center for Excitonics (CE) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Center for Excitonics (CE) Print Text Size: A A A FeedbackShare Page CE Header Director Marc Baldo Lead Institution Massachusetts Institute of Technology Year Established 2009 Mission To supersede traditional electronics with devices that use excitonics to mediate the flow of energy. Research

  12. Luminescence properties of LaF{sub 3}:Ce nanoparticles encapsulated by oleic acid

    SciTech Connect (OSTI)

    Kim, Jaewoo; Lee, Jun-Hyung; An, Hyejin; Lee, Jungkuk; Park, Seong-Hee; Seo, Young-Soo; Miller, William H.

    2014-09-15

    Highlights: In-situ hydrophobization of water dispersible LaF{sub 3}:Ce nanoparticles was achieved. Oleic acid surface modification of the nanoparticles was verified by IR spectra. Quantum yields of LaF{sub 3}:Ce and OA-LaF{sub 3}:Ce nanoparticles were evaluated. Quantum yields of LaF{sub 3}:Ce are strongly dependent on OA surface modification. - Abstract: Cerium ions doped lanthanum fluoride (LaF{sub 3}:Ce) nanopowder as well as LaF{sub 3}:Ce nanopowder whose surfaces was modified by oleic acid (OA) were synthesized by using an in-situ hydrothermal process under the various doping concentrations. Based on the XRD spectra and TEM images, it was confirmed that the crystalline structured hexagonal LaF{sub 3}:Ce nanopowder was synthesized. Oleic acid was efficient for conversion of the water dispersible LaF{sub 3}:Ce nanoparticles to hydrophobic ones. Surface modification was verified by FTIR absorption spectrum as well as TEM images, showing no agglomeration between 5 and 10 nm scaled particles. Photoluminescence based on 5d ? 4f electronic transition of cerium ions excited at ?{sub ex} ?256 nm for both neat and OA encapsulated LaF{sub 3}:Ce nanoparticles decreases as the cerium concentration increases, while the quantum yields of OA encapsulated nanoparticles were much lower than the neat particles due to low photon transmittance of OA at the range longer than ?350 nm.

  13. The influence of nano-architectured CeOx supports in RhPd/CeO₂ for the catalytic ethanol steam reforming reaction

    SciTech Connect (OSTI)

    Divins, N. J.; Senanayake, S. D.; Casanovas, A.; Xu, W.; Trovarelli, A.; Llorca, J.

    2015-01-19

    The ethanol steam reforming (ESR) reaction has been tested over RhPd supported on polycrystalline ceria in comparison to structured supports composed of nanoshaped CeO₂ cubes and CeO₂ rods tailored towards the production of hydrogen. At 650-700 K the hydrogen yield follows the trend RhPd/CeO₂-cubes > RhPd/CeO₂ -rods > RhPd/CeO₂- polycrystalline, whereas at temperatures higher than 800 K the catalytic performance of all samples is similar and close to the thermodynamic equilibrium. The improved performance of RhPd/CeO₂-cubes and RhPd/CeO₂ -rods for ESR at low temperature is mainly ascribed to higher water-gas shift activity and a strong interaction between the bimetallic - oxide support interaction. STEM analysis shows the existence of RhPd alloyed nanoparticles in all samples, with no apparent relationship between ESR performance and RhPd particle size. X-ray diffraction under operating conditions shows metal reorganization on {100} and {110} ceria crystallographic planes during catalyst activation and ESR, but not on {111} ceria crystallographic planes. The RhPd reconstructing and tuned activation over ceria nanocubes and nanorods is considered the main reason for better catalytic activity with respect to conventional catalysts based on polycrystalline ceria

  14. The influence of nano-architectured CeOx supports in RhPd/CeO₂ for the catalytic ethanol steam reforming reaction

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

    Divins, N. J.; Senanayake, S. D.; Casanovas, A.; Xu, W.; Trovarelli, A.; Llorca, J.

    2015-01-19

    The ethanol steam reforming (ESR) reaction has been tested over RhPd supported on polycrystalline ceria in comparison to structured supports composed of nanoshaped CeO₂ cubes and CeO₂ rods tailored towards the production of hydrogen. At 650-700 K the hydrogen yield follows the trend RhPd/CeO₂-cubes > RhPd/CeO₂ -rods > RhPd/CeO₂- polycrystalline, whereas at temperatures higher than 800 K the catalytic performance of all samples is similar and close to the thermodynamic equilibrium. The improved performance of RhPd/CeO₂-cubes and RhPd/CeO₂ -rods for ESR at low temperature is mainly ascribed to higher water-gas shift activity and a strong interaction between the bimetallic -more » oxide support interaction. STEM analysis shows the existence of RhPd alloyed nanoparticles in all samples, with no apparent relationship between ESR performance and RhPd particle size. X-ray diffraction under operating conditions shows metal reorganization on {100} and {110} ceria crystallographic planes during catalyst activation and ESR, but not on {111} ceria crystallographic planes. The RhPd reconstructing and tuned activation over ceria nanocubes and nanorods is considered the main reason for better catalytic activity with respect to conventional catalysts based on polycrystalline ceria« less

  15. Ternary ceramic alloys of Zr-Ce-Hf oxides

    DOE Patents [OSTI]

    Becher, P.F.; Funkenbusch, E.F.

    1990-11-20

    A ternary ceramic alloy is described which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce[sub x]Hf[sub y]Zr[sub 1[minus]x[minus]y]O[sub 2], is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites. 1 fig.

  16. Ternary ceramic alloys of ZR-CE-HF oxides

    DOE Patents [OSTI]

    Becher, Paul F.; Funkenbusch, Eric F.

    1990-01-01

    A ternary ceramic alloy which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce.sub.x Hf.sub.y Zn.sub.1-x-y O.sub.2, is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites.

  17. Thermal Variation of Ce Valence in Mixed ValenceKondo Lattice Systems CeT2(Si1-xGex)2 with T= Mn and Ni

    SciTech Connect (OSTI)

    Liang,G.; Croft, M.

    2008-01-01

    The results on the thermal variation of Ce L3-valence in CeT2(Si1-xGex)2 series with 0{le}x{le}1 and T=Mn and Ni are reported. It is observed that for both series, the Ce valence increases with decreasing temperature and has little thermal variation for samples in the nearly trivalent regime. The magnitude of this thermal variation in the T=Mn series is much greater than in the T=Ni series. The results are explained by the degenerate Anderson model and correlated with the specific heat data.

  18. The Y-12 Times, a newsletter for employees and friends of the...

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

    ... Common items include machinery, hardware and electrical equipment; offi ce furni- ture and fi ling cabinets; laboratory equipment and trucks. Y-12's auctions bring in a variety of ...

  19. Preparation and properties of ce-doped TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Yan, Ningning; Zhu, Zhongqi; Zhang, Jin; Zhao, Zongyan; Liu, Qingju

    2012-08-15

    Highlights: ? The cerium ion doped TiO{sub 2} (Ce-TiO{sub 2}) powders were prepared and characterized. ? The spectrum absorption region of Ce-TiO{sub 2} is red-shifted to visible light. ? The recombination of photo-generated electron-hole pairs of Ce-TiO{sub 2} is inhibited. ? The photocatalytic activity was effected by Ce ion content and greatly improved. -- Abstract: TiO{sub 2} nanoparticles doped with different content of Ce ion were prepared by solgel method. The samples were characterized by XRD, XPS, TEM, UVVis, and PL, the photocatalytic activity was evaluated by photocatalytic degradation of methylene blue (MB) under the irradiation of fluorescent lamp. The results indicate that Ce ion is incorporated into the lattice of TiO{sub 2}, which can restrain the increase of grain size, broaden the absorption region to visible light, and inhibit the recombination of the photo-generated electron and hole pairs. Moreover, the photocatalytic activity of Ce-TiO{sub 2} in MB degradation is evidently enhanced. The MB degradation rate of the sample with Ce:Ti = 0.33% (molar ratio) in 8 h is 90.03%, which is much higher than that of P25 (68.19%).

  20. Ethanol Steam Reforming on Co/CeO2: The Effect of ZnO Promoter...

    Office of Scientific and Technical Information (OSTI)

    Ethanol Steam Reforming on CoCeO2: The Effect of ZnO Promoter Citation Details In-Document Search Title: Ethanol Steam Reforming on CoCeO2: The Effect of ZnO Promoter A series of ...

  1. Manitowoc Foodservice: Order (2012-CE-5309) | Department of Energy

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

    Order (2012-CE-5309) July 20, 2012 DOE ordered Manitowoc Foodservice to pay an 6,000 civil penalty after finding Manitowoc Foodservice had failed to certify that Manitowoc...

  2. Electrolux: Order (2012-CE-1901) | Department of Energy

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

    Order (2012-CE-1901) July 27, 2012 DOE ordered Electrolux North America to pay a 6,500 civil penalty after finding Electrolux had failed to certify that certain dishwashers comply...

  3. Haier: Order (2011-CE-2104) | Department of Energy

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

    Haier: Order (2011-CE-2104) June 12, 2012 DOE ordered Haier to pay an 20,000 civil penalty after finding Haier had failed to certify that Haier residential clothes...

  4. Systemair: Order (2016-CE-43003) | Department of Energy

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

    Systemair: Order (2016-CE-43003) Systemair: Order (2016-CE-43003) February 23, 2016 DOE ordered Systemair, Inc., to pay a $8,000 civil penalty after finding Systemair had failed to certify that its single package vertical air conditioning and heating equipment comply with the applicable energy conservation standards. The Order adopted a Compromise Agreement, which reflected settlement terms between DOE and Systemair. DOE regulations require a manufacturer (which includes importers) to submit

  5. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl4Si2 and CeIrAl4Si2

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

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl4Si2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions TN1 and TN2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition TN2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl4Si2 and CeIrAl4Si2 were determined to be 1.14(2) and 1.41(3) μB/Ce, respectively, and are parallel to the crystallographic c-axis inmore » agreement with magnetic susceptibility measurements.« less

  6. High Curie temperature of Ce-Fe-Si compounds with ThMn12 structure

    SciTech Connect (OSTI)

    Zhou, C; Pinkerton, FE; Herbst, JF

    2015-01-15

    We report the discovery of ternary CeFe(12-x)Si(x)compounds possessing the ThMn12 structure. The samples were prepared by melt spinning followed by annealing. In contrast to other known Ce Fe-based binary and ternary compounds, CeFe12-xSix compounds exhibit exceptionally high Curie temperatures whose values increase with added Si substitution. The highest T. = 583 K in CeFe10Si2 rivals that of the well-established Nd2Fe14B compound. We ascribe the T-c behavior to a combination of Si-induced 3d band structure changes and partial Ce3+ stabilization. (C) 2014 Published by Elsevier Ltd.

  7. CO Oxidation at the Interface of Au Nanoclusters and the Stepped-CeO2(111) Surface

    SciTech Connect (OSTI)

    Kim H. Y.; Henkelman, G.

    2013-01-14

    To reveal the richer chemistry of CO oxidation by CeO2 supported Au Nanoclusters NCs)/Nanoparticles, we design a Au12 supported on a stepped-CeO2 model (Au/CeO2-step) and study various kinds of CO oxidation mechanisms at the interface of the Au/CeO2-step: oxygen spillover from the CeO2 to the Au NCs;2 CO oxidation by the O2 bound to the Au-Ce3+ interface;3 and CO oxidation by the Mars-van Krevelen (M-vK) mechanism.4 DFT+U calculations show that lattice oxygen at the CeO2 step edge oxidizes CO bound to Au NCs by the M-vK mechanism. CO2 desorption determines the rate of CO oxidation and the vacancy formation energy (Evac) is a reactivity descriptor for CO oxidation. The maximum Evac that insures spontaneous CO2 production is higher for the Au/CeO2-step than the Au/CeO2-surface suggesting that the CeO2-step is a better supporting material than the CeO2-surface for CO oxidation by the Au/CeO2. Our results also suggest that for CO oxidation by Au NCs supported on nano- or meso-structured CeO2, which is the case of industrial catalysts, the M-vK mechanism accounts for a large portion of the total activity.

  8. Determination of the Surface Structure of CeO2(111) by Low-Energy...

    Office of Scientific and Technical Information (OSTI)

    Title: Determination of the Surface Structure of CeO2(111) by Low-Energy Electron Diffraction. Abstract not provided. Authors: McCarty, Kevin F. ; Siegel, David A ; El Gabaly ...

  9. Magnetic Hardening of CeFe11Ti and the Effect of TiC Addition...

    Office of Scientific and Technical Information (OSTI)

    Magnetic Hardening of CeFe11Ti and the Effect of TiC Addition Citation ... Publication Date: 2015-04-01 OSTI Identifier: 1221660 Report Number(s): IS-J 8423 Journal ID: ISSN ...

  10. Magnitude of the magnetic exchange interaction in the heavy-fermion antiferromagnet CeRhIn?

    SciTech Connect (OSTI)

    Das, Pinaki [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Lin, S. -Z. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Ghimire, N.? J. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Huang, K. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of California, San Diego, La Jolla, CA (United States); Ronning, F. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Bauer, E.? D. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Thompson, J.? D. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Batista, C.? D. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Ehlers, G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Janoschek, M. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

    2014-12-01

    We have used high-resolution neutron spectroscopy experiments to determine the complete spin wave spectrum of the heavy-fermion antiferromagnet CeRhIn?. The spin wave dispersion can be quantitatively reproduced with a simple frustrated J??J? model that also naturally explains the magnetic spin-spiral ground state of CeRhIn? and yields a dominant in-plane nearest-neighbor magnetic exchange constant J?=0.74(3)??meV. Our results pave the way to a quantitative understanding of the rich low-temperature phase diagram of the prominent CeTIn? (T = Co, Rh, Ir) class of heavy-fermion materials.

  11. Processing of transparent polycrystalline AlON:Ce3+ scintillators

    SciTech Connect (OSTI)

    Chen, Ching -Fong; Yang, Pin; King, Graham; Tegtmeier, Eric L.

    2015-10-23

    A new polycrystalline ceramic scintillator is reported for potential use in radiation detection and medical imaging applications. The goal was to develop cerium-activated aluminum oxynitride (AlON:Ce3+) ceramics, which can be produced using ceramic processes in comparison to the high-cost, low-yield single-crystal growth technique. A phase pure AlON:Ce3+ powder with cubic symmetry was successfully synthesized at high temperature under a reducing atmosphere to convert Ce4+ to Ce3+ in the solid solution. We explored two different activator concentrations (0.5 and 1.0 mol%). Fully dense and transparent AlON:Ce3+ ceramics were produced by a liquid-phase-assisted pressureless sintering. The crystal field splitting around the Ce3+ activator in the AlON was comparable to the splitting induced by Br₋ and the Cl₋ ligands, which produced an emission spectrum perfectly matching the maximum quantum efficiency range of the photomultiplier tube for radiation detection. Both optical excitation and radiation ionizations in AlON:Ce3+ were demonstrated. Lastly, challenges and mechanisms related to the radioluminescence efficiency are discussed.

  12. Pressure tuning of competing magnetic interactions in intermetallic CeFe2

    SciTech Connect (OSTI)

    Wang, Jiyang; Feng, Yejun; Jaramillo, R.; van Wezel, Jasper; Canfield, Paul C.; Rosenbaum, T.F.

    2012-07-20

    We use high-pressure magnetic x-ray diffraction and numerical simulation to determine the low-temperature magnetic phase diagram of stoichiometric CeFe2. Near 1.5 GPa we find a transition from ferromagnetism to antiferromagnetism, accompanied by a rhombohedral distortion of the cubic Laves crystal lattice. By comparing pressure and chemical substitution we find that the phase transition is controlled by a shift of magnetic frustration from the Ce-Ce to the Fe-Fe sublattice. Notably the dominant Ce-Fe magnetic interaction, which sets the temperature scale for the onset of long-range order, remains satisfied throughout the phase diagram but does not determine the magnetic ground state. Our results illustrate the complexity of a system with multiple competing magnetic energy scales and lead to a general model for magnetism in cubic Laves phase intermetallic compounds.

  13. ASKO Appliances: Order (2012-CE-19/2004) | Department of Energy

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

    (2012-CE-192004) July 20, 2012 DOE ordered ASKO Appliances, Inc. to pay a 36,500 civil penalty after finding ASKO had failed to certify that certain models of residential...

  14. Chemical stability and Ce doping of LiMgAlF6 neutron scintillator

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

    Du, M. H.

    2014-11-13

    We perform density functional calculations to investigate LiMgAlF6 as a potential neutron scintillator material. The calculations of enthalpy of formation and phase diagram show that single-phase LiMgAlF6 can be grown but it should be more difficult than growing LiCaAlF6 and LiSrAlF6. Moreover, the formation energy calculations for substitutional Ce show that the concentration of Ce on the Al site is negligible but a high concentration (>1 at.%) of Ce on the Mg site is attainable provided that the Fermi level is more than 5 eV lower than the conduction band minimum. Acceptor doping should promote Ce incorporation in LiMgAlF6.

  15. Switching of the Spin-Density-Wave in CeCoIn5 probed by Thermal...

    Office of Scientific and Technical Information (OSTI)

    Switching of the Spin-Density-Wave in CeCoIn5 probed by Thermal Conductivity Citation ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  16. Switching of the Spin-Density-Wave in CeCoIn5 probed by Thermal...

    Office of Scientific and Technical Information (OSTI)

    Title: Switching of the Spin-Density-Wave in CeCoIn5 probed by Thermal Conductivity Authors: Kim, Duk Young 1 ; Lin, Shizeng 1 ; Weickert, Franziska 2 ; Bauer, Eric Dietzgen ...

  17. NMR studies of field induced magnetism in CeCoIn5 (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: NMR studies of field induced magnetism in CeCoIn5 Citation Details In-Document Search Title: ... Publication Date: 2009-01-01 OSTI Identifier: 972060 Report ...

  18. Hyperfine field and magnetic structure in the B phase of CeCoIn5...

    Office of Scientific and Technical Information (OSTI)

    We re-analyze Nuclear Magnetic Resonance (NMR) spectra observed at low temperatures and high magnetic fields in the field-induced B-phase of CeCoInsub 5. The NMR spectra are ...

  19. f-electron correlations in nonmagnetic Ce studied by means of...

    Office of Scientific and Technical Information (OSTI)

    f-electron correlations in nonmagnetic Ce studied by means of spin-resolved resonant photoemission Citation Details In-Document Search Title: f-electron correlations in nonmagnetic ...

  20. Results for aliovalent doping of CeBr{sub 3} with Ca{sup 2+}

    SciTech Connect (OSTI)

    Guss, Paul; Foster, Michael E.; Wong, Bryan M.; Patrick Doty, F.; Shah, Kanai; Squillante, Michael R.; Shirwadkar, Urmila; Hawrami, Rastgo; Tower, Joshua; Yuan, Ding

    2014-01-21

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr{sub 3}) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca{sup 2+}) was used as a dopant to strengthen CeBr{sub 3} without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca{sup 2+} dopant were grown, i.e., 1.9% of the CeBr{sub 3} molecules were replaced by CaBr{sub 2} molecules, to match our target replacement of 1 out of 54 cerium atoms be replaced by a calcium atom. Precisely the mixture was composed of 2.26 g of CaBr{sub 2} added to 222.14 g of CeBr{sub 3}. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca{sup 2+}-doped CeBr{sub 3} exhibited little or no change in the peak fluorescence emission for 371?nm optical excitation for CeBr{sub 3}. The structural, electronic, and optical properties of CeBr{sub 3} crystals were studied using the density functional theory within the generalized gradient approximation. Calculated lattice parameters are in agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr{sub 3}, including the dielectric function, were calculated.

  1. Structure and scintillation yield of Ce-doped AlGa substituted yttrium garnet

    SciTech Connect (OSTI)

    Sidletskiy, Oleg; Kononets, Valerii; Lebbou, Kheirreddine; Neicheva, Svetlana; Voloshina, Olesya; Bondar, Valerii; Baumer, Vyacheslav; Belikov, Konstantin; Gektin, Alexander; Grinyov, Boris; Joubert, Marie-France

    2012-11-15

    Highlights: ? Range of Y{sub 3}(Al{sub 1?x}Ga{sub x}){sub 5}O{sub 12}:Ce solid solution crystals are grown from melt by the Czochralski method. ? Light yield of mixed crystals reaches 130% of the YAG:Ce value at x ? 0.4. ? ?1% of antisite defects is formed in YGG:Ce, but no evidence of this is obtained for the rest of crystals. -- Abstract: Structure and scintillation yield of Y{sub 3}(Al{sub 1?x}Ga{sub x}){sub 5}O{sub 12}:Ce solid solution crystals are studied. Crystals are grown from melt by the Czochralski method. Distribution of host cations in crystal lattice is determined. Quantity of antisite defects in crystals is evaluated using XRD and atomic emission spectroscopy data. Trend of light output at Al/Ga substitution in Y{sub 3}(Al{sub 1?x}Ga{sub x}){sub 5}O{sub 12}:Ce is determined for the first time. Light output in mixed crystals reaches 130% comparative to Ce-doped yttriumaluminum garnet. Luminescence properties at Al/Ga substitution are evaluated.

  2. Structure and magnetic properties of LnMnSbO ( Ln=La and Ce)

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

    Zhang, Qiang; Kumar, C. M. N.; Tian, Wei; Dennis, Kevin W.; Goldman, Alan I.; Vaknin, David

    2016-03-11

    Here, a neutron powder diffraction (NPD) study of LnMnSbO (Ln = La or Ce) reveals differences between the magnetic ground state of the two compounds due to the strong Ce-Mn coupling compared to La-Mn. The two compounds adopt the P4/nmm space group down to 2 K, and whereas magnetization measurements do not show obvious anomaly at high temperatures, NPD reveals a C-type antiferromagnetic (AFM) order below TN = 255K for LaMnSbO and 240 K for CeMnSbO. While the magnetic structure of LaMnSbO is preserved to base temperature, a sharp transition at TSR = 4.5K is observed in CeMnSbO due tomore » a spin-reorientation (SR) transition of the Mn2+ magnetic moments from pointing along the c axis to the ab plane. The SR transition in CeMnSbO is accompanied by a simultaneous long-range AFM ordering of the Ce moments, which indicates that the Mn SR transition is driven by the Ce-Mn coupling. The ordered moments are found to be somewhat smaller than those expected for Mn2+ (S = 5/2) in insulators, but large enough to suggest that these compounds belong to the class of local-moment antiferromagnets. The lower TN found in these two compounds compared to the As-based counterparts (TN = 317 for LaMnAsO, TN = 347K for CeMnAsO) indicates that the Mn-Pn (Pn=As or Sb) hybridization that mediates the superexchange Mn-Pn-Mn coupling is weaker for the Sb-based compounds.« less

  3. Mitsubishi Electric: Consent Decree (2011-CE-01/0202) | Department of

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

    Energy Mitsubishi Electric: Consent Decree (2011-CE-01/0202) Mitsubishi Electric: Consent Decree (2011-CE-01/0202) May 7, 2010 In this consent degree, the Air-Conditioning, Heating and Refrigeration Institute (AHRI) agrees to pay $5,000 on behalf of Mitsubishi Electric & Electronics, USA, Inc. Mitsubishi Electric agreed that the required certification reports were not filed with DOE; however, Mitsubishi had an agreement with AHRI for AHRI to submit those reports on Mitsubishi's behalf.

  4. A comparison of the structure and localized magnetism in Ce{sub 2}PdGa{sub 12} with the heavy fermion CePdGa{sub 6}

    SciTech Connect (OSTI)

    Macaluso, Robin T. [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Millican, Jasmine N. [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States); Nakatsuji, Satoru [Department of Physics, Kyoto University, Kyoto, Japan 606-8502 (Japan); Lee, Han-Oh [Department of Physics, University of California, Davis, CA 95616 (United States); Carter, B. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Moreno, Nelson O. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Fisk, Zachary [Department of Physics, University of California, Davis, CA 95616 (United States); Chan, Julia Y. [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States)]. E-mail: jchan@lsu.edu

    2005-11-15

    Single crystals of Ce{sub 2}PdGa{sub 12} have been synthesized in Ga flux and characterized by X-ray diffraction. This compound crystallizes in the tetragonal P4/nbm space group, Z=2 with lattice parameters of a=6.1040(2)A and c=15.5490(6)A. It shows strongly anisotropic magnetism and orders antiferromagnetically at T{sub N}{approx}11K. A field-induced metamagnetic transition to the ferromagnetic state is observed below T{sub N}. Structure-property relationships with the related heavy-fermion antiferromagnet CePdGa{sub 6} are discussed.

  5. Luminescence properties and electronic structure of Ce{sup 3+}-doped gadolinium aluminum garnet

    SciTech Connect (OSTI)

    Dotsenko, V.P.; Berezovskaya, I.V.; Voloshinovskii, A.S.; Zadneprovski, B.I.; Efryushina, N.P.

    2015-04-15

    Highlights: • The luminescence properties of Ce{sup 3+} ions in (Y, Gd){sub 3}Al{sub 5}O{sub 12} are analyzed. • The Gd{sup 3+} → Y{sup 3+} substitution leads to increasing of Ce{sup 3+} noncubic crystal field splitting parameter. • The excitation spectra for the Ce{sup 3+} emission in GdAG contain bands at 6.67, 7.75, and 9.76 eV. • These features are due to the Ce{sup 3+}-bound exciton formation and O 2p → Al 3s, 3p transitions. • Contributions from Al atoms to the conduction-band density of states are quite essential. - Abstract: Yttrium-gadolinium aluminum garnets (YGdAG) doped with Ce{sup 3+} ions have been prepared by co-precipitation method. The luminescent properties of Ce{sup 3+} ions in Gd{sub 3(1−x)}Ce{sub 3x}Al{sub 5}O{sub 12} (x = 0.01) have been studied upon excitation in the 2–20 eV region. The substitution of Gd{sup 3+} for Y{sup 3+} in the garnet structure results in broadening the emission band and shifting its maximum towards the longer wavelengths. It was found that in addition to the 4f → 5d excitation bands of Ce{sup 3+} ions, the excitation spectra for the Ce{sup 3+} emission contain bands at 6.67, 7.75, and 9.76 eV. These bands are attributed to the Ce{sup 3+}-bound exciton formation and O 2p → Al 3s, 3p transitions, respectively. Although gadolinium states dominate near the bottom of the conduction band of Gd{sub 3}Al{sub 5}O{sub 12}, contributions from Al{sub tetr} and Al{sub oct} atoms to the conduction-band density of states are evaluated as quite essential.

  6. Structure and Reactivity of Alkyl Ethers Adsorbed on CeO2(111) Model Catalysts

    SciTech Connect (OSTI)

    F Calaza; T Chen; D Mullins; S Overbury

    2011-12-31

    The effect of surface hydroxyls on the adsorption of ether on ceria was explored. Adsorption of dimethyl ether (DME) and diethyl ether (DEE) on oxidized and reduced CeO{sub 2}(111) films was studied and compared with Ru(0001) using RAIRS and sXPS within a UHV environment. On Ru(0001) the ethers adsorb weakly with the molecular plane close to parallel to the surface plane. On the ceria films, the adsorption of the ethers was stronger than on the metal surface, presumably due to stronger interaction of the ether oxygen lone pair electrons with a cerium cation. This interaction causes the ethers to tilt away from the surface plane compared to the Ru(0001) surface. No pronounced differences were found between oxidized (CeO{sub 2}) and reduced (CeOx) films. The adsorption of the ethers was found to be perturbed by the presence of OH groups on hydroxylated CeOx. In the case of DEE, the geometry of adsorption resembles that found on Ru, and in the case of dimethyl ether DME is in between that one found on clean CeOx and the metal surface. Decomposition of the DEE was observed on the OH/CeOx surface following high DEE exposure at 300 K and higher temperatures. Ethoxides and acetates were identified as adsorbed species on the surface by means of RAIRS and ethoxides and formates by s-XPS. No decomposition of dimethyl ether was observed on the OH/CeOx at these higher temperatures, implying that the dissociation of the C-O bond from ethers requires the presence of {beta}-hydrogen.

  7. Structure and Reactivity of Alkyl Ethers Adsorbed on CeO(2)(111) Model Catalysts

    SciTech Connect (OSTI)

    Calaza, Florencia C; Chen, Tsung-Liang; Mullins, David R; Overbury, Steven {Steve} H

    2011-01-01

    The effect of surface hydroxyls on the adsorption of ether on ceria was explored. Adsorption of dimethyl ether (DME) and diethyl ether (DEE) on oxidized and reduced CeO{sub 2}(111) films was studied and compared with Ru(0001) using RAIRS and sXPS within a UHV environment. On Ru(0001) the ethers adsorb weakly with the molecular plane close to parallel to the surface plane. On the ceria films, the adsorption of the ethers was stronger than on the metal surface, presumably due to stronger interaction of the ether oxygen lone pair electrons with a cerium cation. This interaction causes the ethers to tilt away from the surface plane compared to the Ru(0001) surface. No pronounced differences were found between oxidized (CeO{sub 2}) and reduced (CeOx) films. The adsorption of the ethers was found to be perturbed by the presence of OH groups on hydroxylated CeOx. In the case of DEE, the geometry of adsorption resembles that found on Ru, and in the case of dimethyl ether DME is in between that one found on clean CeOx and the metal surface. Decomposition of the DEE was observed on the OH/CeOx surface following high DEE exposure at 300 K and higher temperatures. Ethoxides and acetates were identified as adsorbed species on the surface by means of RAIRS and ethoxides and formates by s-XPS. No decomposition of dimethyl ether was observed on the OH/CeOx at these higher temperatures, implying that the dissociation of the C-O bond from ethers requires the presence of {beta}-hydrogen.

  8. Extreme Climate Event Trends: The Data Mining and Evaluation of the A1FI Scenario for 2000???2100

    SciTech Connect (OSTI)

    Erickson III, David J; Ganguly, Auroop R; Steinhaeuser, Karsten J K; Branstetter, Marcia L; Oglesby, Robert; Hoffman, Forrest M; Buja, Lawrence

    2008-01-01

    The authors discuss the implications and resulting alterations of the hydrologic cycle as Earth climate evolves from 2000-2100. Climate simulations based on the assumptions implicit in the A1F1 scenario for the period 2000-2100 using CCSM3 are analyzed. In particular, we will assess the changes in the surface latent and sensible heat energy budget, the Indian regional water budgets including trends in the timing and duration of the Indian monsoon and the resulting impacts on mean river flow and hydroelectric power generation potential. These analyses will also be examined within the context of heat index, droughts, floods and related estimates of societal robustness and resiliency. We will interpret these new A1F1 results within the context of the previous climate simulations based on the SRES A2 and B1 scenarios forced with land cover and atmospheric CO2. Analyses of historical records in the context of the Indian Monsoon Rainfall (IMR) have suggested an evolving relation of IMR with natural climate variability caused by El Nino events. We will report on the combined effects of natural climate variability and global warming on IMR and assess the trend of extreme rain and temperature events in a warming environment.

  9. Ionic liquid-assisted sonochemical preparation of CeO2 nanoparticles for CO oxidation

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

    Alammar, Tarek; Noei, Heshmat; Wang, Yuemin; Grünert, Wolfgang; Mudring, Anja -Verena

    2014-10-10

    CeO2 nanoparticles were synthesized via a one-step ultrasound synthesis in different kinds of ionic liquids based on bis(trifluoromethanesulfonylamide, [Tf2N]–, in combination with various cations including 1-butyl-3-methylimidazolium ([C4mim]+), 1-ethyl-2,3-dimethylimidazolium ([Edimim]+), butyl-pyridinium([Py4]+), 1-butyl-1-methyl-pyrrolidinium ([Pyrr14]+), and 2-hydroxyethyl-trimethylammonium ([N1112OH]+). Depending on synthetic parameters, such as ionic liquid, Ce(IV) precursor, heating method, and precipitator, formed ceria exhibits different morphologies, varying from nanospheres, nanorods, nanoribbons, and nanoflowers. The morphology, crystallinity, and chemical composition of the obtained materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and N2 adsorption. The structural and electronic propertiesmore » of the as-prepared CeO2 samples were probed by CO adsorption using IR spectroscopy under ultrahigh vacuum conditions. The catalytic activities of CeO2 nanoparticles were investigated in the oxidation of CO. CeO2 nanospheres obtained sonochemically in [C4mim][Tf2N] exhibit the best performance for low-temperature CO oxidation. As a result, the superior catalytic performance of this material can be related to its mesoporous structure, small particle size, large surface area, and high number of surface oxygen vacancy sites.« less

  10. Proactive Design of n-Type (In, Ce) Filled Skutterudites Enabling High-Temperature Waste Heat Recovery

    Broader source: Energy.gov [DOE]

    Thermoelectric and structural properties of n-type (In, Ce) filled skutterudites including power factors and ZT as a function of temperature are presented

  11. (U) Analysis of shock-initiated PBX-9501 through porous CeO2

    SciTech Connect (OSTI)

    Fredenburg, David A.; Dattelbaum, Dana Mcgraw; Dennis-Koller, Darcie

    2015-07-24

    The attenuation properties of an impact initiated PBX-9501 explosive through several thicknesses of CeO2 powder is investigated. The CeO2 is at an initial porous density of 4.0 g/cm3 , roughly 55 % of theoretical maximum density. Measurements of the input (into the powder) and propagated (through the powder) wave profiles are measured using optical velocimetry. Results show a reduction of the average wave speed, CX, and peak steady-state material velocity, uP , with increasing powder thickness from 1.5 - 5.0 mm.

  12. La-Ce and Sm-Nd systematics of siliceous sedimentary rocks: A clue to marine environment in their deposition

    SciTech Connect (OSTI)

    Hiroshi Shimizu; Masayo Amano; Akimasa Masuda )

    1991-04-01

    La-Ce isotopic data, together with Sm-Nd isotopic data, were determined on siliceous sedimentary rocks (cherts) in order to elucidate the rare earth element (REE) character of their sources and the nature of their depositional environments. The cherts studied are a late Archean chert from the Gorge Creek Group in the Pilbara block of Western Australia, Triassic cherts from central Japan, and Cretaceous and Paleogene deep-sea cherts from the central Pacific and the Caribbean Sea. The Archean chert from the Gorge Creek Group shows chondritic Ce and Nd isotope ratios at its sedimentation age which indicate that its sources had a time-integrated chondritic REE pattern. Triassic cherts from Japan have initial Ce and Nd isotope ratios that show a direct derivation from their continental source. On the other hand, for Cretaceous and Paleogene deep-sea cherts having negative Ce anomalies in their REE patterns, two different sources for Ce and Nd are revealed from their initial Ce and Nd isotope data: Ce from long-term light-REE-depleted oceanic volcanic rocks and Nd from light-REE-enriched continental rocks. The reverse nature observed for deep-sea cherts is considered to be a reflection of their depositional environment far from a continent. These results confirm that the La-Ce isotope system is highly useful in determining the nature and cause of Ce anomalies observed in marine sedimentary rocks such as chert.

  13. Thermodynamic and Transport Properties of YTe3, LaTe3 and CeTe3

    SciTech Connect (OSTI)

    Ru, N.

    2011-08-19

    Measurements of heat capacity, susceptibility, and electrical resistivity are presented for single crystals of the charge density wave compounds YTe{sub 3}, LaTe{sub 3}, and CeTe{sub 3}. The materials are metallic to low temperatures, but have a small density of states due to the charge density wave gapping large portions of the Fermi surface. CeTe{sub 3} is found to be a weak Kondo lattice, with an antiferromagnetic ground state and T{sub N} = 2.8 K. The electrical resistivity of all three compounds is highly anisotropic, confirming the weak dispersion perpendicular to Te planes predicted by band structure calculations.

  14. Structural and spectroscopic properties of pure and doped LiCe(PO{sub 3}){sub 4}

    SciTech Connect (OSTI)

    Abdelhedi, M.; Horchani-Naifer, K.; Dammak, M.; Ferid, M.

    2015-10-15

    Graphical abstract: Emission and excitation and spectra of Eu{sup 3+} doped LiCe(PO{sub 3}){sub 4} host lattice with 1, 2, 3 and 4 mol%. - Highlights: • Europium–doped LiCe(PO{sub 3}){sub 4} were prepared by flux method. • It was analyzed by infrared and Raman spectroscopy, and luminescence spectroscopy. • LiCe(PO{sub 3}){sub 4} doped with Eu{sup 3+} ions as luminophore host materials to produce an intense red. - Abstract: Single crystals of LiCe(PO{sub 3}){sub 4} polyphosphate have been synthesized by the flux method and its structural and luminescence properties have been investigated. This compound crystallizes in the space group C2/c with unit cell dimensions a = 16.52(7) Å, b = 7.09(4) Å, c = 9.83 (4)Å, β = 126.29(4)°, Z = 8 and V = 927.84(3) Å{sup 3}. The obtained polytetraphosphate exhibits very small crystals and the dopant Eu{sup 3+} ions were successfully incorporated into the sites of Ce{sup 3+} ions of the host lattice. The spectroscopy properties confirm the potentiality of present LiCe(PO{sub 3}){sub 4} doped with Eu{sup 3+} ions as luminophore host materials to produce an intense red luminescence at 628 nm corresponding to {sup 5}D{sub 0} → {sup 7}F{sub 2} emission level and have significant importance in the development of emission optical systems.

  15. Mechanism of Methane Chemical Looping Combustion with Hematite Promoted with CeO2

    SciTech Connect (OSTI)

    Miller, Duane D.; Siriwardane, Ranjani

    2013-08-01

    Chemical looping combustion (CLC) is a promising technology for fossil fuel combustion that produces sequestration-ready CO{sub 2} stream, reducing the energy penalty of CO{sub 2} separation from flue gases. An effective oxygen carrier for CLC will readily react with the fuel gas and will be reoxidized upon contact with oxygen. This study investigated the development of a CeO{sub 2}-promoted Fe{sub 2}O{sub 3}?hematite oxygen carrier suitable for the methane CLC process. Composition of CeO{sub 2} is between 5 and 25 wt % and is lower than what is generally used for supports in Fe{sub 2}O{sub 3} carrier preparations. The incorporation of CeO{sub 2} to the natural ore hematite strongly modifies the reduction behavior in comparison to that of CeO{sub 2} and hematite alone. Temperature-programmed reaction studies revealed that the addition of even 5 wt % CeO{sub 2} enhances the reaction capacity of the Fe{sub 2}O{sub 3} oxygen carrier by promoting the decomposition and partial oxidation of methane. Fixed-bed reactor data showed that the 5 wt % cerium oxides with 95 wt % iron oxide produce 2 times as much carbon dioxide in comparison to the sum of carbon dioxide produced when the oxides were tested separately. This effect is likely due to the reaction of CeO{sub 2} with methane forming intermediates, which are reactive for extracting oxygen from Fe{sub 2}O{sub 3} at a considerably faster rate than the rate of the direct reaction of Fe{sub 2}O{sub 3} with methane. These studies reveal that 5 wt % CeO{sub 2}/Fe{sub 2}O{sub 3} gives stable conversions over 15 reduction/oxidation cycles. Lab-scale reactor studies (pulsed mode) suggest the methane reacts initially with CeO{sub 2} lattice oxygen to form partial oxidation products (CO + H{sub 2}), which continue to react with oxygen from neighboring Fe{sub 2}O{sub 3}, leading to its complete oxidation to form CO{sub 2}. The reduced cerium oxide promotes the methane decomposition reaction to form C + H{sub 2}, which continue to

  16. Structural and photoluminescence properties of Ce, Dy, Er-doped ZnO nanoparticles

    SciTech Connect (OSTI)

    Jayachandraiah, C.; Kumar, K. Siva; Krishnaiah, G.

    2015-06-24

    Undoped ZnO and rare earth elements (Ce, Dy and Er with 2 at. %) doped nanoparticles were synthesized by wet chemical co-precipitation method at 90°C with Polyvinylpyrrolidone (PVP) as capping agent. The structural, morphological, compositional and photoluminescence studies were performed with X-ray diffraction (XRD), Transmission electron microscopy (TEM), Energy dispersive spectroscopy (EDS), FTIR spectroscopy and Photoluminescence (PL) respectively. XRD results revealed hexagonal wurtzite structure with average particle size around 18 nm - 14 nm and are compatible with TEM results. EDS confirm the incorporation of Ce, Dy and Er elements into the host ZnO matrix and is validated by FTIR analysis. PL studies showed a broad intensive emission peak at 558 nm in all the samples. The intensity for Er- doped ZnO found maximum with additional Er shoulder peaks at 516nm and 538 nm. No Ce, Dy emission centers were found in spectra.

  17. Optical properties of the Ce and La ditelluride charge density wave compounds

    SciTech Connect (OSTI)

    Lavagnini, M.; Sacchetti, A.; Degiorgi, L.; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab. /Stanford U., Appl. Phys. Dept.

    2010-02-15

    The La and Ce di-tellurides LaTe{sub 2} and CeTe{sub 2} are deep in the charge-density-wave (CDW) ground state even at 300 K. We have collected their electrodynamic response over a broad spectral range from the far infrared up to the ultraviolet. We establish the energy scale of the single particle excitation across the CDW gap. Moreover, we find that the CDW collective state gaps a very large portion of the Fermi surface. Similarly to the related rare earth tri-tellurides, we envisage that interactions and Umklapp processes play a role in the onset of the CDW broken symmetry ground state.

  18. Interplay of structural, optical and magnetic properties in Gd doped CeO{sub 2}

    SciTech Connect (OSTI)

    Soni, S.; Dalela, S.; Kumar, Sudish; Meena, R. S.; Vats, V. S.

    2015-06-24

    In this research wok systematic investigation on the synthesis, characterization, optical and magnetic properties of Ce{sub 1-x}Gd{sub x}O{sub 2} (where x=0.02, 0.04, 0.06, and 0.10) synthesized using the Solid-state method. Structural, Optical and Magnetic properties of the samples were investigated by X-ray diffraction (XRD), UV-VIS-NIR spectroscopy and VSM. Fluorite structure is confirmed from the XRD measurement on Gd doped CeO{sub 2} samples. Magnetic studies showed that the Gd doped polycrystalline samples display room temperature ferromagnetism and the ferromagnetic ordering strengthens with the Gd concentration.

  19. {ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds

    SciTech Connect (OSTI)

    Han, J.; Alouani, M.; Cox, D.; Han, J.; Cox, D.; Alouani, M.

    1997-02-01

    We have calculated the band-f hybridizations for Ce{sub x}La{sub 1-x}M{sub 3} compounds (x=1 and x{r_arrow}0; M=Pb,In,Sn,Pd) within the local density approximation and fed this into a noncrossing approximation for the Anderson impurity model applied to both dilute and concentrated limits. Our calculations produce crystalline electric field splittings and Kondo temperatures with trends in good agreement with experiment and demonstrate the need for detailed electronic structure information on hybridization to describe the diverse behaviors of these Ce compounds. {copyright} {ital 1997} {ital The American Physical Society}

  20. Comparative Study on Redox Properties of Nanosized CeO2 and CuO/Ce2 Under CO/O2

    SciTech Connect (OSTI)

    Martinez-Arias,A.; Gamarra, D.; Fernandez-Garcia, M.; Wang, X.; Hanson, J.; Rodriguez, J.

    2006-01-01

    Nanosized CeO{sub 2} and CuO/CeO{sub 2} samples, active for CO-PROX or related processes were comparatively examined by O{sub 2} probe electron paramagnetic resonance and in situ Raman and X-ray diffraction techniques. Their behavior toward CO reduction, as well as the oxygen-handling properties of the CO-reduced samples, was explored. An appreciable reduction of the ceria bulk was detected on treatment under CO at 473 K. On the basis of the analysis of the evolution of different oxygen-derived species (superoxide, peroxide, O-) on low-temperature (77-300 K) oxygen chemisorption on the CO-reduced samples, a general picture of the redox properties of the samples is presented. Results demonstrate that the presence of copper promotes completion of the redox cycle under CO/O{sub 2} by favoring both ceria reduction and oxidation. This can be relevant to explaining the remarkable oxidation activity and synergetic effects observed for catalysts combining CuO and CeO{sub 2}.

  1. Fundamental Understanding of the Interaction of Acid Gases with CeO2 : From Surface Science to Practical Catalysis

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

    Tumuluri, Uma; Rother, Gernot; Wu, Zili

    2016-03-21

    Acid gases including CO2, SO2, and NOx are ubiquitous in large-scale energy applications including heterogeneous catalysis. The adverse environmental and health effects of these acid gases have resulted in high interest in the research and development of technologies to remove or convert these acid gases. The main challenge for the development of these technologies is to develop catalysts that are highly efficient, stable, and cost-effective, and many catalysts have been reported in this regard. CeO2 and CeO2-based catalysts have gained prominence in the removal and conversion of CO2, SO2, and NOx because of their structural robustness and redox and acid–basemore » properties. In this article, we provide a brief overview of the application of CeO2 and CeO2-based catalysts for the removal of CO2, SO2, and NOx gases with an emphasis on the fundamental understanding of the interactions of these acid gases with CeO2. The studies summarized in this review range from surface science using single crystals and thin films with precise crystallographic planes to practical catalysis applications of nanocrystalline and polycrystalline CeO2 materials with defects and dopants. After an introduction to the properties of CeO2 surfaces, their catalytic properties for conversions of different acid gases are reviewed and discussed. Lastly, we find that the surface atomic structure, oxygen vacancies, and surface acid–base properties of CeO2 play vital roles in the surface chemistry and structure evolution during the interactions of acid gases with CeO2 and CeO2-based catalysts.« less

  2. A Comparative Study of the Water Gas Shift Reaction Over Platinum Catalysts Supported on CeO2, TiO2 and Ce-Modified TiO2

    SciTech Connect (OSTI)

    Gonzalez, I.; Navarro, R; Wen, W; Marinkovic, N; Rodriguez, J; Rosa, F; Fierro, J

    2010-01-01

    WGS reaction has been investigated on catalysts based on platinum supported over CeO{sub 2}, TiO{sub 2} and Ce-modified TiO{sub 2}. XPS and XANES analyses performed on calcined catalysts revealed a close contact between Pt precursors and cerium species on CeO{sub 2} and Ce-modified TiO{sub 2} supports. TPR results corroborate the intimate contact between Pt and cerium entities in the Pt/Ce-TiO{sub 2} catalyst that facilitates the reducibility of the support at low temperatures while the Ce-O-Ti surface interactions established in the Ce-modified TiO{sub 2} support decreases the reduction of TiO{sub 2} at high temperature. The changes in the support reducibility leads to significant differences in the WGS activity of the studied catalysts. Pt supported on Ce-modified TiO{sub 2} support exhibits better activity than those corresponding to individual CeO{sub 2} and TiO{sub 2}-supported catalysts. Additionally, the Ce-TiO{sub 2}-supported catalyst displays better stability at reaction temperatures higher than 573 K that observed on pure TiO{sub 2}-supported counterpart. Activity measurements, when coupled with the physicochemical characterization of catalysts suggest that the modifications in the surface reducibility of the support play an essential role in the enhancement of activity and stability observed when Pt is supported on the Ce-modified TiO{sub 2} substrate.

  3. Magnetic properties of Ce{sup 3+} in Pb{sub 1{minus}x}Ce{sub x}Se: Kondo and crystal-field effect

    SciTech Connect (OSTI)

    Gratens, X.; Charar, S.; Averous, M.; Isber, S.; Deportes, J.; Golacki, Z.

    1997-10-01

    Electron paramagnetic resonance (EPR) experiments were performed on a Pb{sub 1{minus}x}Ce{sub x}Se crystal at liquid-helium temperatures and show very clearly that the doublet {Gamma}{sub 7} is the ground state for cerium ions. The cubic symmetry is shown and the effective Land{acute e} factor for the Ce{sup 3+} is determined to be 1.354{plus_minus}0.003. An orbital reduction factor is introduced to explain the g experimental value. High-field magnetization results are in good agreement with the EPR results. The nominal Ce composition in PbSe deduced from saturation of the magnetization, x=0.0405{plus_minus}0.0003, is very closed to the value determined by microprobe analysis (x=0.04). At 1.5 K, an antiferromagnetic interaction between the nearest-neighbor cerium atoms is found, J{sub ex}/k{sub B}={minus}0.715thinspK. The low-field magnetic-susceptibility results show that the magnetic moment of cerium impurities is strongly temperature dependent, explained by the presence of the crystal-field effect and the Kondo effect. {copyright} {ital 1997} {ital The American Physical Society}

  4. 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.

  5. The synthesis and optical property of solid-state-prepared YAG:Ce phosphor by a spray-drying method

    SciTech Connect (OSTI)

    Lee, H.-M.; Cheng, C.-C.; Huang, C.-Y.

    2009-05-06

    Ce{sup 3+}-activated yttrium aluminum garnet (Y{sub 3}Al{sub 5}O{sub 12}:Ce, YAG:Ce) powder as luminescent phosphor was synthesized by the solid-state reaction method. The phase identification, microstructure and photoluminescent properties of the products were investigated by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), absorption spectrum and photoluminescence (PL) analysis. Spherical phosphor particle is considered better than irregular-shaped particle to improve PL property and application, so this phosphor was granulated into a sphere-like shape by a spray-drying device. After calcinating at 1500 deg. C for 0, 4, and 8 h, the product was identified as YAG and CeO{sub 2} phases. The CeO{sub 2} phase content is decreased by increasing the calcination time or decreasing the Ce{sup 3+} doping content. The product showed higher emission intensity resulted from more Ce{sup 3+} content and larger grain size. The product with CeO{sub 2} was found to have lower emission intensity. This paper presents the crystal structures of Rietveld refinement results of powder XRD data.

  6. (U) Equation of State and Compaction Modeling for CeO2

    SciTech Connect (OSTI)

    Fredenburg, David A.; Chisolm, Eric D.

    2014-10-20

    Recent efforts have focused on developing a solid-liquid and three-phase equation of state (EOS) for CeO2, while parallel experimental efforts have focused on obtaining high-fidelity Hugoniot measurements on CeO2 in the porous state. The current work examines the robustness of two CeO2 SESAME equations of state, a solid-liquid EOS, 96170, and a three-phase EOS, 96171, by validating the EOS against a suite of high-pressure shock compression experiments on initially porous CeO2. At lower pressures compaction is considered by incorporating a two-term exponential form of the P-compaction model, using three separate definitions for ?(P). Simulations are executed spanning the partially compacted and fully compacted EOS regimes over the pressure range 0.5 - 109 GPa. Comparison of calculated Hugoniot results with those obtained experimentally indicate good agreement for all definitions of ?(P) with both the solid-liquid and three-phase EOS in the low-pressure compaction regime. At higher pressures the three-phase EOS does a better job at predicting the measured Hugoniot response, though at the highest pressures EOS 96171 predicts a less compliant response than is observed experimentally. Measured material velocity profiles of the shock-wave after it has transmitted through the powder are also compared with those simulated using with solid-liquid and three-phase EOS. Profiles lend insight into limits of the current experimental design, as well as the threshold conditions for the shock-induced phase transition in CeO2.

  7. Photocatalytic degradation mechanisms of self-assembled rose-flower-like CeO{sub 2} hierarchical nanostructures

    SciTech Connect (OSTI)

    Sabari Arul, N.; Department of Nanoscience and Technology, Bharathiar University, Coimbatore-641 046 ; Mangalaraj, D.; Whan Kim, Tae

    2013-06-03

    Hierarchical rose-flower-like CeO{sub 2} nanostructures were formed by using solvothermal and thermal annealing processes. The CeCO{sub 3}OH thin film was transformed into CeO{sub 2} roses due to thermal annealing. CeO{sub 2} nanostructured roses exhibited excellent photocatalytic activity with a degradation rate of 65% for the azo dye acid orange 7 (AO7) under ultraviolet illumination. The fitting of the absorbance maximum versus time showed that the degradation of AO7 obeyed pseudo-first-order reaction kinetics. The enhancement of the photocatalytic activity for the CeO{sub 2} roses was attributed to the high adsorptivity resulting from the surface active sites and special 4f electron configuration.

  8. Charge dynamics of Ce-based compounds: Connection between the mixed valent and Kondo-insulator states

    SciTech Connect (OSTI)

    Bucher, B. [Laboratorium fuer Festkoerperphysik, Eidgenoessische Technische Hochschule Zuerich, 8093 Zuerich (Switzerland)] [Laboratorium fuer Festkoerperphysik, Eidgenoessische Technische Hochschule Zuerich, 8093 Zuerich (Switzerland); Schlesinger, Z. [IBM, Thomas J. Watson Research Center, Yorktown Heights, New York 10958 (United States)] [IBM, Thomas J. Watson Research Center, Yorktown Heights, New York 10958 (United States); Mandrus, D.; Fisk, Z.; Sarrao, J. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); DiTusa, J.F.; Oglesby, C.; Aeppli, G.; Bucher, E. [AT& T Bell Laboratories, Murray Hill, New Jersey 07974 (United States)] [AT& T Bell Laboratories, Murray Hill, New Jersey 07974 (United States)

    1996-02-01

    The reflectivities of the mixed-valent compounds CeSn{sub 3} and CePd{sub 3} have been measured to obtain the optical conductivity as a function of temperature. Both compounds show a renormalization of the low-energy Drude conductivity at low temperatures. In addition, for the low-carrier-density compound CePd{sub 3}, but not for high-carrier-density CeSn{sub 3}, substantial spectral weight lost from the conductivity below 1000 cm{sup {minus}1} reappears in the frequency range 2000{endash}10000 cm{sup {minus}1}, indicating that CePd{sub 3} can be considered a lightly doped Kondo insulator. {copyright} {ital 1996 The American Physical Society.}

  9. Synthesis of Transient Climate Evolution of the last 21-kyr (SynTraCE-21)

    SciTech Connect (OSTI)

    Zhengyu Liu

    2011-05-06

    Climate evolution in the last 21,000 years provides critical observations for testing state-of-the-art climate models on the simulation of climate evolution and abrupt climate changes. Proxy evidences and new modeling activities have led to rapid advances in our understanding of climate change for this past time period. This funding helps to support the first international SynTraCE-21k workshop at Mount Hood, Oregon from 10-13 October, 2010.

  10. Momentum-resolved photoemission of the Kondo peak in an ordered Ce-containing alloy

    SciTech Connect (OSTI)

    Garnier, M.; Purdie, D.; Breuer, K.; Hengsberger, M.; Baer, Y.

    1997-11-01

    A comparison of uv-photoemission spectra recorded from the surface alloys Pt(111)({radical}(3){times}{radical}(3))R30{degree}Ce and Pt(111)(2{times}2)La allows the contribution from the 4f electrons to be seen easily. The valence-band structure of these two surfaces is very similar, and the most obvious 4f contribution in high-resolution photoemission spectra of the Ce-containing alloy is the tail of the Kondo peak cut at E{sub F}. Within the limits of our measurement, no dispersion of this feature in the occupied regime is detected. The Kondo peak displays a marked intensity dependence on the emission angle, suggesting that hybridization is present in only a limited part of reciprocal space. The temperature dependence of this near-E{sub F} feature supports this interpretation. {copyright} {ital 1997} {ital The American Physical Society}

  11. Magnitude of the magnetic exchange interaction in the heavy-fermion antiferromagnet CeRhIn5

    SciTech Connect (OSTI)

    Das, Pinaki; Lin, S. -Z.; Ghimire, N. J.; Huang, K.; Ronning, F.; Bauer, E. D.; Thompson, J. D.; Batista, C. D.; Ehlers, G.; Janoschek, M.

    2014-12-08

    We have used high-resolution neutron spectroscopy experiments to determine the complete spin wave spectrum of the heavy-fermion antiferromagnet CeRhIn?. The spin wave dispersion can be quantitatively reproduced with a simple frustrated J?-J? model that also naturally explains the magnetic spin-spiral ground state of CeRhIn? and yields a dominant in-plane nearest-neighbor magnetic exchange constant J?=0.74(3) meV. Our results lead the way to a quantitative understanding of the rich low-temperature phase diagram of the prominent CeTIn? (T = Co, Rh, Ir) class of heavy-fermion materials.

  12. Magnitude of the magnetic exchange interaction in the heavy-fermion antiferromagnet CeRhIn5

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

    Das, Pinaki; Lin, S. -Z.; Ghimire, N. J.; Huang, K.; Ronning, F.; Bauer, E. D.; Thompson, J. D.; Batista, C. D.; Ehlers, G.; Janoschek, M.

    2014-12-08

    We have used high-resolution neutron spectroscopy experiments to determine the complete spin wave spectrum of the heavy-fermion antiferromagnet CeRhIn₅. The spin wave dispersion can be quantitatively reproduced with a simple frustrated J₁-J₂ model that also naturally explains the magnetic spin-spiral ground state of CeRhIn₅ and yields a dominant in-plane nearest-neighbor magnetic exchange constant J₀=0.74(3) meV. Our results lead the way to a quantitative understanding of the rich low-temperature phase diagram of the prominent CeTIn₅ (T = Co, Rh, Ir) class of heavy-fermion materials.

  13. Preparation of new morphological ZnO and Ce-doped ZnO

    SciTech Connect (OSTI)

    Chelouche, A.; Djouadi, D.; Aksas, A.

    2013-12-16

    ZnO micro-tori and cerium doped hexangulars ZnO have been prepared by the sol-gel method under methanol hypercritical conditions of temperature and pressure. X-ray diffraction (XRD) measurement has revealed the high crystalline quality and the nanometric size of the samples. Scanning electron microscopy (SEM) has shown that the ZnO powder has a torus-like shape while that of ZnO:Ce has a hexangular-like shape, either standing free or inserted into the cores of ZnO tori. Transmission electron microscopy (TEM) has revealed that the ZnO particles have sizes between 25 and 30 nm while Ce-doped ZnO grains have diameters ranging from 75 nm to 100 nm. Photoluminescence spectra at room temperature of the samples have revealed that the introduction of cerium in ZnO reduces the emission intensity lines, particularly the ZnO red and green ones.

  14. Adsorption and Reaction of C1-C3 Alcohols over CeOx(111) Thin Films

    SciTech Connect (OSTI)

    D Mullins; S Senanayake; T Chen

    2011-12-31

    This study reports the interaction of methanol, ethanol, 1-propanol, and 2-propanol with well-ordered CeO{sub 2}(111) thin film surfaces. All of the alcohols adsorb at low temperature by forming alkoxy and hydroxyl species on the surface. On fully oxidized CeO{sub 2}(111), recombination occurs between some of the alkoxys and hydroxyls, resulting in alcohol desorption near 220 K. At the same temperature, some of the surface hydroxyls disproportionate to produce water and the loss of lattice O. The remaining alkoxys react above 550 K. The primary alcohols favor dehydrogenation products (aldehydes). There is a net loss of O from the system, resulting in a reduction of the ceria. The secondary alcohol, 2-propanol, undergoes primarily dehydration, producing propene with no net change in the cerium oxidation state. Reduced CeO{sub x}(111) competes with the gaseous products for available O. Little or no water is produced. The reaction selectivity for the C{sub 2} and C{sub 3} alcohols shifts toward favoring dehydration products. The loss of O from the alcohols leads to oxidation of the reduced ceria. Compared with the oxidized surface, the alkene desorption shifts to lower temperature, whereas the aldehyde desorption shifts to higher temperature. This indicates that, on the reduced surface, it is easier to break the C-O bond but more difficult to break the O-substrate bond.

  15. Mesoporous MnCeOx solid solutions for low temperature and selective oxidation of hydrocarbons

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

    Zhang, Pengfei; Lu, Hanfeng; Zhou, Ying; Zhang, Li; Wu, Zili; Yang, Shize; Shi, Hongliang; Zhu, Qiulian; Chen, Yinfei; Dai, Sheng

    2015-10-15

    The development of noble-metal-free heterogeneous catalysts that can realize the aerobic oxidation of C–H bonds at low temperature is a profound challenge in the catalysis community. Here we report the synthesis of a mesoporous Mn0.5Ce0.5Ox solid solution that is highly active for the selective oxidation of hydrocarbons under mild conditions (100–120 °C). Notably, the catalytic performance achieved in the oxidation of cyclohexane to cyclohexanone/cyclohexanol (100 °C, conversion: 17.7%) is superior to those by the state-of-art commercial catalysts (140–160 °C, conversion: 3-5%). Finally, the high activity can be attributed to the formation of a Mn0.5Ce0.5Ox solid solution with an ultrahigh manganesemore » doping concentration in the CeO2 cubic fluorite lattice, leading to maximum active surface oxygens for the activation of C–H bonds and highly reducible Mn4+ ions for the rapid migration of oxygen vacancies from the bulk to the surface.« less

  16. Momentum-space structure of quasielastic spin fluctuations in Ce3Pd20Si6

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

    Portnichenko, P. Y.; Cameron, A. S.; Surmach, M. A.; Deen, Pascale P.; Paschen, S.; Prokofiev, A.; Mignot, Jean-Michel; Strydom, A. M.; Telling, Mark T. F.; Podlesnyak, Andrey A.; et al

    2015-01-01

    Surrounded by heavy-fermion metals, Ce3Pd20Si6 is one of the heaviest-electron systems known to date. Here we used high-resolution neutron spectroscopy to observe low-energy magnetic scattering from a single crystal of this compound in the paramagnetic state. We investigated its temperature dependence and distribution in momentum space, which was not accessible in earlier measurements on polycrystalline samples. At low temperatures, a quasielastic magnetic response with a half-width Γ ≈ 0.1 meV persists with varying intensity all over the Brillouin zone. It forms a broad hump centered at the (111) scattering vector, surrounded by minima of intensity at (002), (220), and equivalentmore » wave vectors. The momentum-space structure distinguishes this signal from a simple crystal-field excitation at 0.31 meV, suggested previously, and rather lets us ascribe it to short-range dynamical correlations between the neighboring Ce ions, mediated by the itinerant heavy f electrons via the Ruderman-Kittel-Kasuya-Yosida mechanism. With increasing temperature, the energy width of the signal follows the conventional T1/2 law, Γ(T)=Γ0+A√T. Lastly, the momentum-space symmetry of the quasielastic response suggests that it stems from the simple-cubic Ce sublattice occupying the 8c Wyckoff site, whereas the crystallographically inequivalent 4a site remains magnetically silent in this material.« less

  17. 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

  18. General Restaurant Equipment: Order (2016-CE-53010) | Department of Energy

    Office of Environmental Management (EM)

    Department of Energy General Compression Looks at Energy Storage from a Different Angle General Compression Looks at Energy Storage from a Different Angle February 3, 2011 - 3:36pm Addthis Image of the General Compression CAES system | courtesy of General Compression, Inc. Image of the General Compression CAES system | courtesy of General Compression, Inc. April Saylor April Saylor Former Digital Outreach Strategist, Office of Public Affairs Earlier this week, we told you about a new company

  19. Westinghouse Lighting: Notice of Allowance (2010-CE-09/1001)

    Broader source: Energy.gov [DOE]

    DOE issued a Notice of Allowance to Westinghouse Lighting Corporation allowing Westinghouse Lighting to resume distribution of various lamp products after Westinghouse Lighting provided new test data performed according to DOE regulations.

  20. Westinghouse Lighting: Notice of Allowance (2010-CE-09/1001)

    Broader source: Energy.gov [DOE]

    DOE issued a Notice of Allowance to Westinghouse Lighting Corporation allowing Westinghouse Lighting to resume distribution of product code 0521000 after Westinghouse Lighting provided new test data performed according to DOE regulations.

  1. Duracold Refrigeration: Order (2016-CE-53012) | Department of Energy

    Office of Environmental Management (EM)

    Durability Working Group Durability Working Group The Durability Working Group meets twice per year to exchange information, create synergies, and collaboratively develop both an understanding of and tools for studying degradation mechanisms of polymer electrolyte fuel cell stacks. Its members include principal investigators and supporting personnel from U.S. Department of Energy (DOE)-funded durability projects. More information on DOE durability activities can be found in the Fuel Cell

  2. Sunpentown: Order (2012-CE-1505) | Department of Energy

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

    August 2, 2012 DOE ordered Sunpentown International Inc. to pay a 12,160 civil penalty after finding Sunpentown had failed to certify that certain models of room air...

  3. Effect of oxygen vacancy on half metallicity in Ni-doped CeO{sub 2} diluted magnetic semiconductor

    SciTech Connect (OSTI)

    Saini, Hardev S. Saini, G. S. S.; Singh, Mukhtiyar; Kashyap, Manish K.

    2015-05-15

    The electronic and magnetic properties of Ni-doped CeO{sub 2} diluted amgentic semiconductor (DMS) including the effect of oxygen vacancy (V{sub o}) with doping concentration, x = 0.125 have been calculated using FPLAPW method based on Density Functional Theory (DFT) as implemented in WIEN2k. In the present supercell approach, the XC potential was constructed using GGA+U formalism in which Coulomb correction is applied to standard GGA functional within the parameterization of Perdew-Burke-Ernzerhof (PBE). We have found that the ground state properties of bulk CeO{sub 2} compound have been modified significantly due to the substitution of Ni-dopant at the cation (Ce) site with/without V{sub O} and realized that the ferromagnetism in CeO{sub 2} remarkably depends on the V{sub o} concentrations. The presence of V{sub o}, in Ni-doped CeO{sub 2}, can leads to strong ferromagnetic coupling between the nearest neighboring Ni-ions and induces a HMF in this compound. Such ferromagnetic exchange coupling is mainly attributed to spin splitting of Ni-d states, via electrons trapped in V{sub o}. The HMF characteristics of Ni-doped CeO{sub 2} including V{sub o} makes it an ideal material for spintronic devices.

  4. Soft chemistry synthesis of high-crystalline orthogermanate CeGeO{sub 4}: A new photocatalyst

    SciTech Connect (OSTI)

    Xing Jun; Yang Chen; Li Weikun; Gong Xueqing; Yang Huagui

    2013-01-15

    A new orthogermanate phase of CeGeO{sub 4} was studied and the corresponding nanocrystals have been successfully synthesized via a facile hydrothermal method without adding any capping agent. The pH value of the solution and the reaction time were also further investigated, respectively. The as-prepared CeGeO{sub 4} nanocrystals with a uniform size of 15 nm have been characterized by using XRD/TEM/TGA/UV-vis techniques, and their electronic structures and band gap were calculated based on a plane wave density function theory (DFT). The promising photocatalytic properties of CeGeO{sub 4} have been confirmed through monitoring reactive oxidative species generated in photocatalytic reactions of terephthalic acid as a fluorescence probe. - Graphical Abstract: A novel photocatalyst CeGeO{sub 4} was prepared. Highlights: Black-Right-Pointing-Pointer CeGeO{sub 4} as a novel photocatalyst was successfully synthesized by a hydrothermal method. Black-Right-Pointing-Pointer Electronic structure and band gap were calculated based on DFT. Black-Right-Pointing-Pointer CeGeO{sub 4} exhibited a promising photocatalytic performance.

  5. Investigation of chemical composition and crystal structure in sintered Ce{sub 15}Nd{sub 15}Fe{sub bal}B{sub 1} magnet

    SciTech Connect (OSTI)

    Huang, Shu-lin; Feng, Hai-bo; Zhu, Ming-gang; Li, An-hua; Li, Wei; Zhang, Yue

    2014-10-15

    The substitution of cerium, a more abundant rare-earth element, for sintered Nd-Fe-B magnets has drawn intense interest. In the present work, nominal composition of Ce{sub 15}Nd{sub 15}Fe{sub bal}B{sub 1} (wt. %), with cerium constitutes increased to 50% of the total rare-earth content, was used. And Ce-free Nd{sub 30}Fe{sub bal}B{sub 1} (wt. %) was prepared by the same preparation process as comparison. The microstructure of the sintered magnets has been investigated by means of X-ray diffraction and transmission electron microscope. The results show that there are three kinds of RE-rich phases in the same magnet, i.e., fcc-(Ce,Nd)O{sub x} (a=0.547nm), hcp-(Ce,Nd){sub 2}O{sub 3} (a=0.386nm, c=0.604nm) and bcc-(Ce,Nd){sub 2}O{sub 3} (a=1.113nm). Ors of (140)(Ce,Nd){sub 2}Fe{sub 14}B// (1-21)bcc-(Ce,Nd){sub 2}O{sub 3}(∼3°), [001](Ce,Nd){sub 2}Fe{sub 14}B// [-214]bcc-(Ce,Nd){sub 2}O{sub 3}; (01-1)(Ce,Nd){sub 2}Fe{sub 14}B// (101)fcc- (Ce,Nd)O{sub x}(∼2°), [101](Ce,Nd){sub 2}Fe14B// [12-1]fcc-(Ce,Nd)O{sub x} were found through selected area electron diffraction (SAED) analysis. According to the analysis, it can be concluded that cerium has partly substituted for neodymium by occupying the corresponding atom sites in the Ce{sub 15}Nd{sub 15}Fe{sub bal}B{sub 1} magnet, without changing the crystal configuration.

  6. NUCLEAR REGULATOR%'-C~fiMls6N REGION I

    Office of Legacy Management (LM)

    jNrTED ST&ye I ) r P, NUCLEAR REGULATOR%'-CfiMls6N REGION I 63I PIIRK AVENUE ... Repcr; Number 43-X6691-01 U.S. NUCLEAR ZGULATORY COMMISSION 3FFiCE OF IXS? ...

  7. High thermoelectric performance of In, Yb, Ce multiple filled CoSb{sub 3} based skutterudite compounds

    SciTech Connect (OSTI)

    Ballikaya, Sedat; Department of Physics, University of Michigan, Ann Arbor, MI, 48109 ; Uzar, Neslihan; Yildirim, Saffettin; Salvador, James R.; Uher, Ctirad

    2012-09-15

    Filling voids with rare earth atoms is an effective way to lowering thermal conductivity which necessarily enhances thermoelectric properties of skutterudite compounds. Yb atom is one of the most effective species among the rare earth atoms for filling the voids in the skutterudite structure due to a large atomic mass, radius and it is intermediate valence state. In this work, we aim to find the best filling partners for Yb using different combinations of Ce and In as well as to optimize actual filling fraction in order to achieve high values of ZT. The traditional method of synthesis relying on melting-annealing and followed by spark plasma sintering was used to prepare all samples. The thermoelectric properties of four samples of Yb{sub 0.2}In{sub 0.2}Co{sub 4}Sb{sub 12}, Yb{sub 0.2}Ce{sub 0.15}Co{sub 4}Sb{sub 12}, Yb{sub 0.2}Ce{sub 0.15}In{sub 0.2}Co{sub 4}Sb{sub 12}, and Yb{sub 0.3}Ce{sub 0.15}In{sub 0.2}Co{sub 4}Sb{sub 12} (nominal) were examined based on the Seebeck coefficient, electrical conductivity, thermal conductivity, and Hall coefficient. Hall coefficient and Seebeck coefficient signs confirm that all samples are n-type skutterudite compounds. Carrier density increases with the increasing Yb+Ce content. A high power factor value of 57.7 {mu}W/K{sup 2}/cm for Yb{sub 0.2}Ce{sub 0.15}Co{sub 4}Sb{sub 12} and a lower thermal conductivity value of 2.82 W/m/K for Yb{sub 0.2}Ce{sub 0.15}In{sub 0.2}Co{sub 4}Sb{sub 12} indicate that small quantities of Ce with In may be a good partner to Yb to reduce the thermal conductivity further and thus enhance the thermoelectric performance of skutterudites. The highest ZT value of 1.43 was achieved for Yb{sub 0.2}Ce{sub 0.15}In{sub 0.2}Co{sub 4}Sb{sub 12} triple-filled skutterudite at 800 K. - Graphical abstract: Thermoelectric figure of merit of Yb{sub x}In{sub y}Ce{sub z}Co{sub 4}Sb{sub 12} (0{<=}x,y,z{<=}0.18 actual) compounds versus temperature. Highlights: Black-Right-Pointing-Pointer TE properties of Yb,In,Ce

  8. Analysis of FEL-based CeC amplification at high gain limit

    SciTech Connect (OSTI)

    Wang, G.; Litvinenko, V.; Jing, Y.

    2015-05-03

    An analysis of Coherent electron Cooling (CeC) amplifier based on 1D Free Electron Laser (FEL) theory was previously performed with exact solution of the dispersion relation, assuming electrons having Lorentzian energy distribution. At high gain limit, the asymptotic behavior of the FEL amplifier can be better understood by Taylor expanding the exact solution of the dispersion relation with respect to the detuning parameter. In this work, we make quadratic expansion of the dispersion relation for Lorentzian energy distribution and investigate how longitudinal space charge and electrons’ energy spread affect the FEL amplification process.

  9. Optical properties of {gamma}- and {alpha}-Ce by spectroscopic ellipsometry

    SciTech Connect (OSTI)

    Joo Yull, Rhee

    1992-07-20

    A rotating analyzer type ellipsometer with an ultra high vacuum sample chamber was built. The dielectric functions of {gamma}- and {alpha}-Ce were measured in the energy range from 1.5 to 5.4 eV to investigate the role of the 4f electron in the isostructural phase transition. {gamma}- and {alpha}-Ce were made by evaporation of Ce on sapphire substrates at room temperature and 25 K. All measurements were performed inside a UHV chamber at pressures lower than l {times} 10{sup {minus}10}Torr. The measured dielectric functions showed a thickness dependence. The thicker sample has the smaller optical conductivities. Both overlayer thickness and void fraction increase as sample thickness increases. Repeating cooling-heating-cooling or heating-cooling-heating cycles causes the sample surface to become rougher but the relative volume fractions of both phases and the void fraction in the bulk remain unchanged. The optical conductivity increases upon entering the a-phase but the number of electrons per atom, N{sub eff}/N{sub A}, contributing to the optical conductivity does not change. The valence electrons lose oscillator strength in the above energy range due to volume collapse. This reduces N{sub eff}/NA but the increased 4f-sd valence band hybridization exactly compensates the reduced oscillator strength. Therefore the net effects of the {gamma}{yields}{alpha} isostructural phase transition are an increase of optical conductivity and constancy of N{sub eff}/N{sub A}.

  10. High-pressure, transport, and thermodynamic properties of CeTe3

    SciTech Connect (OSTI)

    Zocco, D.A.

    2010-02-24

    We have performed high-pressure, electrical resistivity, and specific heat measurements on CeTe3 single crystals. Two magnetic phases with nonparallel magnetic easy axes were detected in electrical resistivity and specific heat at low temperatures. We also observed the emergence of an additional phase at high pressures and low temperatures and a possible structural phase transition detected at room temperature and at 45 kbar, which can possibly be related with the lowering of the charge-density wave transition temperature known for this compound.

  11. Surface-structure sensitivity of CeO2 nanocrystals in photocatalysis and enhancing the reactivity with nanogold

    SciTech Connect (OSTI)

    Lei, Wanying; Zhang, Tingting; Gu, Lin; Liu, Ping; Rodriguez, José A.; Liu, Gang; Liu, Minghua

    2015-06-19

    Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this research, using aberration-corrected scanning transmission electron microscopy (STEM), the atomic surface structures of well-defined one-dimensional (1D) CeO2 nanorods (NRs) and 3D nanocubes (NCs) are directly visualized at subangstrom resolution. CeO2 NCs predominantly expose the {100} facet, with {110} and {111} as minor cutoff facets at the respective edges and corners. Notably, the outermost surface layer of the {100} facet is nearly O-terminated. Neither surface relaxations nor reconstructions on {100} are observed, indicating unusual polarity compensation, which is primarily mediated by near-surface oxygen vacancies. The surface of CeO2 NRs is highly stepped, with the enclosed {110} facet exposing Ce cations and O anions on terraces. On the basis of STEM profile-view imaging and electronic structure analysis, the photoreactivity of CeO2 nanocrystals toward aqueous methyl orange degradation under UV is revealed to be surface-structure-sensitive, following the order: {110} >> {100}. The underlying surface-structure sensitivity can be attributed to the variation in low-coordinate surface cerium cations between {110} and {100} facets. To further enhance light absorption, Au nanoparticles (NPs) are deposited on CeO2 NRs to form Au/CeO2 plasmonic nanocomposites, which dramatically promotes the photoreactivity that is Au particle size- and excitation light wavelength-dependent. The mechanisms responsible for the enhancement of photocatalytic activity are discussed, highlighting the crucial role of photoexcited charge carrier transfer.

  12. Surface-structure sensitivity of CeO2 nanocrystals in photocatalysis and enhancing the reactivity with nanogold

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

    Lei, Wanying; Zhang, Tingting; Gu, Lin; Liu, Ping; Rodriguez, José A.; Liu, Gang; Liu, Minghua

    2015-06-19

    Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this research, using aberration-corrected scanning transmission electron microscopy (STEM), the atomic surface structures of well-defined one-dimensional (1D) CeO2 nanorods (NRs) and 3D nanocubes (NCs) are directly visualized at subangstrom resolution. CeO2 NCs predominantly expose the {100} facet, with {110} and {111} as minor cutoff facets at the respective edges and corners. Notably, the outermost surface layer of the {100} facet is nearly O-terminated. Neither surface relaxations nor reconstructions on {100} are observed, indicating unusual polarity compensation, which is primarily mediated by near-surface oxygen vacancies. The surface of CeO2 NRs ismore » highly stepped, with the enclosed {110} facet exposing Ce cations and O anions on terraces. On the basis of STEM profile-view imaging and electronic structure analysis, the photoreactivity of CeO2 nanocrystals toward aqueous methyl orange degradation under UV is revealed to be surface-structure-sensitive, following the order: {110} >> {100}. The underlying surface-structure sensitivity can be attributed to the variation in low-coordinate surface cerium cations between {110} and {100} facets. To further enhance light absorption, Au nanoparticles (NPs) are deposited on CeO2 NRs to form Au/CeO2 plasmonic nanocomposites, which dramatically promotes the photoreactivity that is Au particle size- and excitation light wavelength-dependent. The mechanisms responsible for the enhancement of photocatalytic activity are discussed, highlighting the crucial role of photoexcited charge carrier transfer.« less

  13. Hydrogenation of CO2 to methanol on CeOx/Cu(111) and ZnO/Cu(111) catalysts: Role of the metal-oxide interface and importance of Ce3+ sites

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

    Sanjaya D. Senanayake; Ramirez, Pedro J.; Waluyo, Iradwikanari; Kundu, Shankhamala; Mudiyanselage, Kumudu; Liu, Zongyuan; Liu, Zhi; Axnanda, Stephanus; Stacchiola, Dario J.; Evans, Jaime; et al

    2016-01-06

    The role of the interface between a metal and oxide (CeOx–Cu and ZnO–Cu) is critical to the production of methanol through the hydrogenation of CO2 (CO2 + 3H2 → CH3OH + H2O). The deposition of nanoparticles of CeOx or ZnO on Cu(111), θoxi < 0.3 monolayer, produces highly active catalysts for methanol synthesis. The catalytic activity of these systems increases in the sequence: Cu(111) < ZnO/Cu(111) < CeOx/Cu(111). The apparent activation energy for the CO2 → CH3OH conversion decreases from 25 kcal/mol on Cu(111) to 16 kcal/mol on ZnO/Cu(111) and 13 kcal/mol on CeOx/Cu(111). The surface chemistry of the highlymore » active CeOx–Cu(111) interface was investigated using ambient pressure X-ray photoemission spectroscopy (AP-XPS) and infrared reflection absorption spectroscopy (AP-IRRAS). Both techniques point to the formation of formates (HCOO–) and carboxylates (CO2δ–) during the reaction. Our results show an active state of the catalyst rich in Ce3+ sites which stabilize a CO2δ– species that is an essential intermediate for the production of methanol. Furthermore, the inverse oxide/metal configuration favors strong metal–oxide interactions and makes possible reaction channels not seen in conventional metal/oxide catalysts.« less

  14. Theoretical Study of Trimethylacetic Acid Adsorption on CeO 2 (111) Surface

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

    Wang, Weina; Thevuthasan, S.; Wang, Wenliang; Yang, Ping

    2016-01-11

    We investigated trimethylacetic acid (TMAA) adsorption on stoichiometric and oxygen-deficient CeO2(111) surfaces using density functional theory that accounts for the on-site Coulomb interaction via a Hubbard term (DFT+U) and long-range dispersion correction. Both the molecular state and dissociative state (TMAA → TMA– + H+) were identified on stoichiometric and oxygen-deficient CeO2(111) surfaces. For the stoichiometric surface, two thermodynamically favorable configurations with adsorption energies of the order of -30 kcal/mol are identified; one is a molecule adsorption state, and the other one is a dissociative state. For the oxygen-deficient surface, dissociative states are more favorable than molecular states. Moreover, the mostmore » favorable configuration is the dissociative adsorption of TMAA with the adsorption energy of the order of -77 kcal/mol. The dissociated TMA moiety takes the position of oxygen vacancy, forming three Ce–O bonds. The signature vibrational frequencies for these thermodynamically stable structures are reported as well as their electronic structures. The effects of long-range dispersion interactions are found to be negligible for geometries but important for adsorption energies.« less

  15. Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO{sub 2} nanoparticles

    SciTech Connect (OSTI)

    Raubach, Cristiane W. Polastro, Lisnias; Ferrer, Mateus M.; Perrin, Andre; Perrin, Christiane; Albuquerque, Anderson R.; Buzolin, Prescila G. C.; Sambrano, Julio R.; Santana, Yuri B. V. de; Varela, Jos A.; Longo, Elson

    2014-06-07

    Herein, we report a theoretical and experimental study on the photocatalytic activity of CeO{sub 2} ZnS, and ZnS decorated CeO{sub 2} nanoparticles prepared by a microwave-assisted solvothermal method. Theoretical models were established to analyze electron transitions primarily at the interface between CeO{sub 2} and ZnS. As observed, the particle morphology strongly influenced the photocatalytic degradation of organic dye Rhodamine B. A model was proposed to rationalize the photocatalytic behavior of the prepared decorated systems taking into account different extrinsic and intrinsic defect distributions, including order-disorder effects at interfacial and intra-facial regions, and vacancy concentration.

  16. Pulse studies to decipher the role of surface morphology in CuO/CeO₂ nanocatalysts for the water gas shift reaction

    SciTech Connect (OSTI)

    Rodriguez, Jose A.; Zhao, Fuzhen; Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Si, Rui; Johnston-Peck, Aaron C.; Martinez-Arias, Arturo; Hanson, Jonathan C.; Senanayake, Sanjaya D.

    2015-01-23

    The water-gas shift reaction (WGS, CO + H₂O → CO₂) was studied over CuO/CeO₂ catalysts with two different ceria particle morphohologies, in the form of nanospheres (ns) and nanocubes (nc). To understand the strong dependence of the WGS reaction activity on the ceria nanoshapes, pulses of CO (without and with water vapor) were employed during in situ X-ray diffraction (XRD) and X-ray absoprtion near edge structure (XANES) measurements done to characterize the catalysts. The results showed that CuO/CeO₂ (ns) exhibited a substantially better activity than CuO/CeO₂ (nc). The higher activity was associated with the unique properties of CuO/CeO₂ (ns), such as the easier reduction of highly dispersed CuO to metallic Cu, the stability of metallic Cu and a larger concentration Ce³⁺ in CeO₂ (ns).

  17. Pulse studies to decipher the role of surface morphology in CuO/CeO₂ nanocatalysts for the water gas shift reaction

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

    Rodriguez, Jose A.; Zhao, Fuzhen; Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Si, Rui; Johnston-Peck, Aaron C.; Martinez-Arias, Arturo; Hanson, Jonathan C.; Senanayake, Sanjaya D.

    2015-01-23

    The water-gas shift reaction (WGS, CO + H₂O → CO₂) was studied over CuO/CeO₂ catalysts with two different ceria particle morphohologies, in the form of nanospheres (ns) and nanocubes (nc). To understand the strong dependence of the WGS reaction activity on the ceria nanoshapes, pulses of CO (without and with water vapor) were employed during in situ X-ray diffraction (XRD) and X-ray absoprtion near edge structure (XANES) measurements done to characterize the catalysts. The results showed that CuO/CeO₂ (ns) exhibited a substantially better activity than CuO/CeO₂ (nc). The higher activity was associated with the unique properties of CuO/CeO₂ (ns), suchmore » as the easier reduction of highly dispersed CuO to metallic Cu, the stability of metallic Cu and a larger concentration Ce³⁺ in CeO₂ (ns).« less

  18. High thermal stability of La2O3 and CeO2-stabilized tetragonal ZrO2

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

    Wang, Shichao; Xie, Hong; Lin, Yuyuan; Poeppelmeier, Kenneth R.; Li, Tao; Winans, Randall E.; Cui, Yanran; Ribeiro, Fabio H.; Canlas, Christian P.; Elam, Jeffrey W.; et al

    2016-02-15

    Catalyst support materials of tetragonal ZrO2, stabilized by either La2O3 (La2O3-ZrO2) or CeO2 (CeO2-ZrO2), were synthesized under hydrothermal conditions at 200 °C with NH4OH or tetramethylammonium hydroxide as the mineralizer. From In Situ synchrotron powder X-ray diffraction and small-angle X-ray scattering measurements, the calcined La2O3-ZrO2 and CeO2-ZrO2 supports were nonporous nanocrystallites that exhibited rectangular shapes with thermal stability up to 1000 °C in air. These supports had an average size of ~10 nm and a surface area of 59-97 m2/g. The catalysts Pt/La2O3-ZrO2 and Pt/CeO2-ZrO2 were prepared by using atomic layer deposition with varying Pt loadings from 6.3-12.4 wt %.more » Mono-dispersed Pt nanoparticles of ~3 nm were obtained for these catalysts. As a result, the incorporation of La2O3 and CeO2 into the t-ZrO2 structure did not affect the nature of the active sites for the Pt/ZrO2 catalysts for the water-gas-shift (WGS) reaction.« less

  19. Structure and magnetic properties of Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H-polytype in the Ba-Ce-Mn-O system

    SciTech Connect (OSTI)

    Macias, Mario A.; Mentre, Olivier; Cuello, Gabriel J.; Gauthier, Gilles H.

    2013-02-15

    Based on the peculiar magnetic properties that are observed in pseudo one-dimensional manganites, we decided to synthesize the new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} compound. The preparation was performed by solid state reaction in air at about 1350 Degree-Sign C, for which we found that the compound crystallizes in a hexagonal symmetry with space group P6{sub 3}/mmc (No-194) and cell parameters a=b=5.7861(2) A and c=23.902(1) A. The structural description was correlated with neutron diffraction and bond valence calculations, confirming the presence of Ce{sup 4+} and Mn{sup 4+} segregated in the different crystallographic positions. Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} displays evidence for strong AFM couplings already set at room temperature. The main arrangement of Mn{sup 4+} in magnetically isolated tetramers of face-sharing octahedra is responsible for a metamagnetic-like transition around 50 K. - Graphical abstract: The new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} polytype shows strong AFM couplings in magnetically isolated [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers of face-sharing octahedral, resulting in a metamagnetic-like transition around 50 K. Highlights: Black-Right-Pointing-Pointer Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H polytype, has been prepared in the Ba-Ce-Mn-O system. Black-Right-Pointing-Pointer The compound crystallizes in the P6{sub 3}/mmc space group with (cchhh){sub 2} stacking sequence. Black-Right-Pointing-Pointer [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers are separated by [CeO{sub 6}] octahedra in the structure. Black-Right-Pointing-Pointer Instead of robust AFM ordering, a metamagnetic-like transition is found around 50 K.

  20. Temperature Dependence of the Kondo Resonance and Its Satellites in CeCu{sub 2}Si{sub 2}

    SciTech Connect (OSTI)

    Reinert, F.; Ehm, D.; Schmidt, S.; Nicolay, G.; Huefner, S.; Kroha, J.; Trovarelli, O.; Geibel, C.

    2001-09-03

    We present high-resolution photoemission spectroscopy studies on the Kondo resonance of the strongly correlated Ce system CeCu{sub 2}Si {sub 2} . By exploiting the thermal broadening of the Fermi edge we analyze position, spectral weight, and temperature dependence of the low-energy 4f spectral features, whose major weight lies above the Fermi level E{sub F} . We also present theoretical predictions based on the single-impurity Anderson model using an extended noncrossing approximation, including all spin-orbit and crystal field splittings of the 4f states. The excellent agreement between theory and experiment provides strong evidence that the spectral properties of CeCu{sub 2}Si {sub 2} can be described by single-impurity Kondo physics down to T{approx}5 K .

  1. Electronic structure of the heavy-fermion caged compound Ce?Pd??X? (X = Si, Ge) studied by density functional theory and photoelectron spectroscopy

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

    Yamaoka, Hitoshi; Jarrige, Ignace; Schwier, Eike F.; Arita, Masashi; Shimada, Kenya; Tsujii, Naohito; Jiang, Jian; Hayashi, Hirokazu; Iwasawa, Hideaki; Namatame, Hirofumi; et al

    2015-03-30

    The electronic structure of Ce?Pd??X? (X = Si, Ge) has been studied using detailed density functional theory (DFT) calculations and high-resolution photoelectron spectroscopy (PES) measurements. The orbital decomposition of the electronic structure by DFT calculations indicates that Ce atoms at the (8c) site surrounded by 16 Pd atoms have a more localized nature and a tendency to be magnetic. Ce atoms in the (4a) site surrounded by 12 Pd and 6 X atoms, on the other, show only a negligible magnetic moment. In the photoemission valence-band spectra we observe a strong f? (Ce??) component with a small fraction of fmore(Ce?) component. The spectral weight of f component near the Fermi level Ce?Pd??Si? is stronger than that for Ce?Pd??Ge? at the 4d-4f resonance, suggesting stronger c-f hybridization in the former. This may hint to the origin of the large electronic specific coefficient of Ce?Pd??Si? compared to Ce?Pd??Ge?.less

  2. Selectivity loss of Pt/CeO{sub 2} PROX catalysts at low CO concentrations: mechanism and active site study.

    SciTech Connect (OSTI)

    Polster, C. S.; Zhang, R.; Cyb, M. T.; Miller, J. T.; Baertsch, C. D.

    2010-07-01

    CO and H{sub 2} oxidation were studied over a series of Pt/CeO{sub 2} catalysts with differing Pt loadings and dispersions. Kinetic rate analysis confirms the presence of dual Langmuir-Hinshelwood (L-H) and Mars and van Krevelen (M-vK) pathways and is used to explain the loss in CO oxidation selectivity at low CO concentrations. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) shows the strong CO coverage dependence on both CO and O{sub 2} concentrations and explains the transition from L-H to M-vK reaction character. Redox site measurements are performed on Pt/CeO{sub 2} catalysts by anaerobic titrations under conditions where the M-vK pathway dominates the reaction rate. Similar redox site densities per interfacial Pt atom suggest that interfacial Pt-O-Ce sites are responsible for M-vK redox activity.

  3. The effect of Ce{sup 4+} incorporation on structural, morphological and photocatalytic characters of ZnO nanoparticles

    SciTech Connect (OSTI)

    Kannadasan, N.; Shanmugam, N. Cholan, S.; Sathishkumar, K.; Viruthagiri, G.; Poonguzhali, R.

    2014-11-15

    We report a simple chemical precipitation method for the preparation of undoped and cerium doped ZnO nanocrystals. The concentration of cerium in the products can be controlled in the range of 0.0250.125 mol. The structure and chemical compositions of the products were characterized by X-ray diffraction, X-ray photoelectron spectroscopy; energy dispersive spectrum and Fourier transform infrared spectroscopy. The results demonstrate that Ce{sup 4+} ions were successfully incorporated into the lattice position of Zn{sup 2+} ions in ZnO. The morphology of the products was analyzed by field emission scanning electron microscopy and confirmed by high resolution transmission electron microscope analysis. The optical properties of the products were studied by ultravioletvisible and room temperature photoluminescence measurements. The photoluminescence emission spectra of Ce-doped ZnO showed enhanced visible emissions as a result of 5d ? 4f transition of cerium. In particular, a novel photocatalytic activity of the products was assessed using methylene blue. The obtained result reveals that Ce-doped products show higher reduction efficiency for methylene blue than the undoped ZnO. - Highlights: Nanocrystals of ZnO and ZnO:Ce{sup 4+} were grown. XPS results confirmed the incorporated cerium in tetravalence. PL emission exhibited 5d ? 4f transition on cerium doping. Doped ZnO decolorizes MB faster than undoped ZnO.

  4. Investigation of the physical properties of the tetragonal CeMAl4Si2 (M = Rh, Ir, Pt) compounds

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

    Ghimire, N. J.; Ronning, F.; Williams, D. J.; Scott, B. L.; Luo, Yongkang; Thompson, J. D.; Bauer, E. D.

    2014-12-15

    The synthesis, crystal structure and physical properties studied by means of x-ray diffraction, magnetic, thermal and transport measurements of CeMAl4Si2 (M = Rh, Ir, Pt) are reported, along with the electronic structure calculations for LaMAl4Si2 (M = Rh, Ir, Pt). These materials adopt a tetragonal crystal structure (space group P4/mmm) comprised of BaAl4 blocks, separated by MAl2 units, stacked along the c-axis. Both CeRhAl4Si2 and CeIrAl4Si2 order antiferromagnetically below TN1 = 14 and 16 K, respectively, and undergo a second antiferromagnetic transitition at lower temperature (TN2 = 9 and 14 K, respectively). CePtAl4Si2 orders ferromagnetically below TC = 3 Kmore » with an ordered moment of μsat = 0.8 μB for a magnetic field applied perpendicular to the c-axis. Electronic structure calculations reveal quasi-2D character of the Fermi surface.« less

  5. Theoretical studies of Ir5Th and Ir5Ce nanoscale precipitates in Ir

    SciTech Connect (OSTI)

    Morris, James R; Averill, Frank; Cooper, Valentino R

    2014-01-01

    Experimentally, it is known that very small amounts of thorium and/or cerium added to iridium metal form a precipitate, Ir5Th / Ir5Ce, which improves the high temperature mechanical properties of the resulting alloys. We demonstrate that there are low-energy configurations for nano-scale precipitates of these phases in Ir, and that these coherent arrangements may assist in producing improved mechanical properties. One precipitate/matrix orientation gives a particularly low interfacial energy, and a low lattice misfit. Nanolayer precipitates with this orientation are found to be likely to form, with little driving force to coarsen. The predicted morphology of the precipitates and their orientation with the matrix phase provide a potential experiment that could be used to test these predictions.

  6. The effect of Au and Ni doping on the heavy fermion state of the Kondo lattice antiferromagnet CePtZn

    SciTech Connect (OSTI)

    Dhar, S. K.; Aoki, Y.; Suemitsu, B.; Miyazaki, R.; Provino, A.; Manfrinetti, P.

    2014-05-07

    We have probed the effect of doping CePtZn with Au and Ni and also investigated in detail the magnetic behavior of the iso-structural CeAuZn. A magnetic ground state is observed in both CePt{sub 0.9}Au{sub 0.1}Zn and CePt{sub 0.9}Ni{sub 0.1}Zn with T{sub N}?=?2.1 and 1.1?K and the coefficient of the linear term of electronic heat capacity ??=?0.34 and 0.9?J/mol K{sup 2}, respectively. The corresponding values for CePtZn are 1.7?K and 0.6?J/mol K{sup 2}. The altered values of T{sub N} and ? show that the electronic correlations in CePtZn are affected by doping with Au and Ni. CeAuZn orders magnetically near 1.7?K and its electrical resistivity shows a normal metallic behavior. Together with a ? of 0.022?J/mol K{sup 2} the data indicate a weak 4f-conduction electron hybridization in CeAuZn characteristic of normal trivalent cerium based systems.

  7. Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites

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

    Thompson, Daniel R.; Liu, Chang; Ellison, Nicole D.; Salvador, James R.; Meyer, Martin S.; Haddad, Daad B.; Wang, Hsin; Cai, W.

    2014-12-28

    Thermoelectric (TE) technology for use in automotive waste heat recovery is being advanced by General Motors with support from the US Department of Energy. Skutterudites are a very promising material for this application of TE technology due to their superior mechanical properties and good TE performance. Double-filled YbxBayCo4Sb12 with ZT values around 1.1 at 750K are the best performing n-type skutterudites produced on a large scale using an economically viable approach of melt spinning (MS) in conjunction with spark plasma sintering (SPS). Another economical production method on the tons scale, the melt quench annealing (MQA) technique, has been recently claimedmore » by Treibacher Industrie AG, further information is available [G. Rogl et al., Acta Mater. 76, 434-448 (2014)]. A possible hurdle to commercial implementation of these materials is the use of rare earths as the fillers to reduce thermal conductivity and improve the electrical transport properties. It will be shown herein that skutterudites double-filled with Ca and Ce, both of which are lower-cost fillers, display markedly different TE properties depending on whether they are produced by MQA or MS + SPS synthesis techniques. Finally, Ca and Ce double-filled skutterudites prepared by MS + SPS have TE properties that are superior to the same compositions prepared by MQA and that are comparable to the best performing Yb and Ba filled materials. Furthermore, the results of this study suggest that the unusually poor transport properties of MQA Ca-filled skutterudites can be ascribed to deleterious secondary phases, which is contrary to reports in the literature attempting to explain these irregularities via band structure features.« less

  8. Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites

    SciTech Connect (OSTI)

    Thompson, Daniel R.; Liu, Chang; Ellison, Nicole D.; Salvador, James R.; Meyer, Martin S.; Haddad, Daad B.; Wang, Hsin; Cai, W.

    2014-12-28

    Thermoelectric (TE) technology for use in automotive waste heat recovery is being advanced by General Motors with support from the US Department of Energy. Skutterudites are a very promising material for this application of TE technology due to their superior mechanical properties and good TE performance. Double-filled Yb{sub x}Ba{sub y}Co{sub 4}Sb{sub 12} with ZT values around 1.1 at 750?K are the best performing n-type skutterudites produced on a large scale using an economically viable approach of melt spinning (MS) in conjunction with spark plasma sintering (SPS). Another economical production method on the tons scale, the melt quench annealing (MQA) technique, has been recently claimed by Treibacher Industrie AG, further information is available [G. Rogl et al., Acta Mater. 76, 434448 (2014)]. A possible hurdle to commercial implementation of these materials is the use of rare earths as the fillers to reduce thermal conductivity and improve the electrical transport properties. It will be shown herein that skutterudites double-filled with Ca and Ce, both of which are lower-cost fillers, display markedly different TE properties depending on whether they are produced by MQA or MS + SPS synthesis techniques. Ca and Ce double-filled skutterudites prepared by MS + SPS have TE properties that are superior to the same compositions prepared by MQA and that are comparable to the best performing Yb and Ba filled materials. Furthermore, the results of this study suggest that the unusually poor transport properties of MQA Ca-filled skutterudites can be ascribed to deleterious secondary phases, which is contrary to reports in the literature attempting to explain these irregularities via band structure features.

  9. Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites

    SciTech Connect (OSTI)

    Thompson, Daniel R.; Liu, Chang; Ellison, Nicole D.; Salvador, James R.; Meyer, Martin S.; Haddad, Daad B.; Wang, Hsin; Cai, W.

    2014-12-28

    Thermoelectric (TE) technology for use in automotive waste heat recovery is being advanced by General Motors with support from the US Department of Energy. Skutterudites are a very promising material for this application of TE technology due to their superior mechanical properties and good TE performance. Double-filled YbxBayCo4Sb12 with ZT values around 1.1 at 750K are the best performing n-type skutterudites produced on a large scale using an economically viable approach of melt spinning (MS) in conjunction with spark plasma sintering (SPS). Another economical production method on the tons scale, the melt quench annealing (MQA) technique, has been recently claimed by Treibacher Industrie AG, further information is available [G. Rogl et al., Acta Mater. 76, 434-448 (2014)]. A possible hurdle to commercial implementation of these materials is the use of rare earths as the fillers to reduce thermal conductivity and improve the electrical transport properties. It will be shown herein that skutterudites double-filled with Ca and Ce, both of which are lower-cost fillers, display markedly different TE properties depending on whether they are produced by MQA or MS + SPS synthesis techniques. Finally, Ca and Ce double-filled skutterudites prepared by MS + SPS have TE properties that are superior to the same compositions prepared by MQA and that are comparable to the best performing Yb and Ba filled materials. Furthermore, the results of this study suggest that the unusually poor transport properties of MQA Ca-filled skutterudites can be ascribed to deleterious secondary phases, which is contrary to reports in the literature attempting to explain these irregularities via band structure features.

  10. Superior performance of Ni-W-Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants

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

    Rodriguez, Jose A.; Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Johnson-Peck, Aaron C.; Zhao, Fuzhen; Michorczyk, Piotr; Kubacka, Anna; Stach, Eric A.; Fernandez-Garica, Marcos; et al

    2014-11-26

    The ethanol steam reforming (ESR) reaction was studied over a series of Ni-W-Ce oxide catalysts. The structures of the catalysts were characterized using in-situ techniques including X-ray diffraction, Pair Distribution Function, X-ray absorption fine structure and transmission electron microscopy; while possible surface intermediates for the ESR reaction were investigated by Diffuse Reflectance Infrared Fourier Transform Spectroscopy. In these materials, all the W and part of the Ni were incorporated into the CeO? lattice, with the remaining Ni forming highly dispersed nano NiO (moreThe Ni-W-Ce systeme exhibited a much larger lattice strain than those seen for Ni-Ce and W-Ce. Synergistic effects between Ni and W inside ceria produced a substantial amount of defects and O vacancies that led to high catalytic activity, selectivity and stability (i.e. resistance to coke formation) during ethanol steam reforming.less

  11. Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2 (R = La, Ce, Pr, Nd)

    SciTech Connect (OSTI)

    Thompson, Corey; Tan, Xiaoyan; Kovnir, Kirill; Garlea, Vasile O; Shatruk, Michael

    2014-01-01

    Four rare-earth cobalt arsenides, RCo2As2 (R = La, Ce, Pr, Nd), were obtained by reactions of constituent elements in molten Bi. The use of Bi flux also allowed the growth of representative single crystals. All compounds are isostructural and belong to the ThCr2Si2 structure type (space group I4/mmm). The formation of Co vacancies is observed in all structures, while the structures of La- and Ce-containing compounds also show incorporation of minor Bi defects next to the R crystallographic site. Correspondingly, the general formula of these materials can be written as R1 xBixCo2 As2, with x/ = 0.03/0.1, 0.05/0.15, 0/0.2, and 0/0.3 for R = La, Ce, Pr, and Nd, respectively. All compounds exhibit high-temperature ferromagnetic ordering of Co magnetic moments in the range of 150-200 K. Electronic band structure calculations revealed a high peak in the density of states at the Fermi level, thus supporting the itinerant nature of magnetism in the Co sublattice. The magnetic ordering in the lanthanide sublattice takes place at lower temperatures, with the R moments aligning antiparallel to the Co moments to give a ferrimagnetic ground state. The measurements on oriented single crystals demonstrated significant magnetic anisotropy in the ferrimagnetic state, with the preferred moment alignment along the c axis of the tetragonal lattice. Neutron powder diffraction failed to reveal the structure of magnetically ordered states, but confirmed the presence of Co vacancies. X-ray absorption near-edge structure spectroscopy on Ce1.95Bi0.05Co1.85As2 showed the average oxidation state of Ce to be +3.06. Solid state NMR spectroscopy revealed a substantially reduced hyperfine field on the Co atoms in the vicinity of Bi defects.

  12. Transport properties of Ce{sub 2}Ni{sub 2}Sn and Ce{sub 2}Pd{sub 2.05}Sn{sub 0.95} Kondo lattice systems

    SciTech Connect (OSTI)

    Pinto, R.P.; Amado, M.M.; Braga, M.E.; de Azevedo, M.M.; Sousa, J.B.; Chevalier, B.; Etourneau, J.

    1997-04-01

    We report experimental data on thermoelectric power S, electrical resistivity {rho}, and the magnetoresistivity of the antiferromagnet Kondo stannides Ce{sub 2}Ni{sub 2}Sn (T{sub N}=4.7 K) and Ce{sub 2}Pd{sub 2.05}Sn{sub 0.95} (T{sub N}=4.7 K). The essential features of the S(T) curves resemble those of heavy fermion systems such as CeCu{sub 2}Si{sub 2}: a broad and positive maximum at intermediate temperatures, followed by a sharper negative minimum at lower temperatures. S values are is considerably smaller in Ce{sub 2}Pd{sub 2.05}Sn{sub 0.95} than in Ce{sub 2}Ni{sub 2}Sn. The positive peak originates from the incoherent Kondo scattering by the excited crystal field levels of the Ce ion ground state. The negative peak might be related to the shape of the density of states associated with the Abrikosov{endash}Suhl resonance. The change of sign in S(T) between its minimum and maximum at T{sup {asterisk}} can be assigned to the fact that the Fermi level sinks below the upper band at T{gt}T{sup {asterisk}}. This behavior and the maximum observed in the {rho}(T) curve at this temperature can be discussed in terms of the electron polaron model, although one must also take into account the crystal field effect. The role played by the crystal field effect, which is more important in Ce{sub 2}Pd{sub 2.05}Sn{sub 0.95}, is analyzed for this compound, providing the magnitude of the crystal field splitting. Magnetoresistivity was also measured in both compounds. The results are consistent with the important role of the Kondo effect at low temperatures and suggest the splitting of the double degenerate bands at T{gt}T{sup {asterisk}}. {copyright} {ital 1997 American Institute of Physics.}

  13. CE: Proposed Penalty (2013-SE-1429)

    Broader source: Energy.gov [DOE]

    DOE alleged in a Notice of Proposed Civil Penalty that CE North America, LLC, privately labeled and distributed noncompliant freezers in the U.S.

  14. CE: Compromise Agreement (2013-SE-1429)

    Broader source: Energy.gov [DOE]

    DOE and CE North America entered into a Compromise Agreement to resolve a case involving the distribution in commerce of noncompliant freezers.

  15. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl4Si2 and CeIrAl4Si2

    SciTech Connect (OSTI)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl4Si2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions TN1 and TN2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition TN2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl4Si2 and CeIrAl4Si2 were determined to be 1.14(2) and 1.41(3) ?B/Ce, respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.

  16. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl4Si2 and CeIrAl4Si2

    SciTech Connect (OSTI)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl4Si2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions TN1 and TN2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition TN2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl4Si2 and CeIrAl4Si2 were determined to be 1.14(2) and 1.41(3) μB/Ce, respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.

  17. Reverse micelles directed synthesis of TiO{sub 2}-CeO{sub 2} mixed oxides and investigation of their crystal structure and morphology

    SciTech Connect (OSTI)

    Matejova, Lenka; Vales, Vaclav; Fajgar, Radek; Matej, Zdenek; Holy, Vaclav; Solcova, Olga

    2013-02-15

    The synthesis of TiO{sub 2}-CeO{sub 2} mixed oxides based on the sol-gel process controlled within reverse micelles of non-ionic surfactant Triton X-114 in cyclohexane is reported. The crystallization, phase composition, trends in nanoparticles growth and porous structure properties are studied as a function of Ti:Ce molar composition and annealing temperature by in-situ X-ray diffraction, Raman spectroscopy and physisorption. The brannerite-type CeTi{sub 2}O{sub 6} crystallizes as a single crystalline phase at Ti:Ce molar composition of 70:30 and in the mixture with cubic CeO{sub 2} and anatase TiO{sub 2} for composition 50:50. At Ti:Ce molar ratios 90:10 and 30:70 the mixtures of TiO{sub 2} anatase, rutile and cubic CeO{sub 2} appear. In these mixtures TiO{sub 2} rutile is formed at higher temperatures than conventionally. Additionally, the amount of a present amorphous phase in individual mixtures was estimated from diffraction data. The porous structure morphology depends both on molar composition and annealing temperature. This is correlated with the presence of carbon impurities of different character. - Graphical abstract: The phase composition of Ti90--Ce10 and Ti50--Ce50 oxide mixtures as a function of annealing temperature. The amount of the amorphous phase was estimated and attributed to TiO{sub 2}. Highlights: Black-Right-Pointing-Pointer Ti/Ce oxides were prepared using reverse micelles of Triton X-114. Black-Right-Pointing-Pointer Crystallization of TiO{sub 2}, CeO{sub 2} or CeTi{sub 2}O{sub 6} depends on Ti:Ce molar ratio. Black-Right-Pointing-Pointer Amorphous phase attributed to TiO{sub 2} was identified. Black-Right-Pointing-Pointer Metal oxides surface area is influenced by the character of present carbon impurities.

  18. Ionic liquid-assisted sonochemical preparation of CeO2 nanoparticles for CO oxidation

    SciTech Connect (OSTI)

    Alammar, Tarek; Noei, Heshmat; Wang, Yuemin; Grünert, Wolfgang; Mudring, Anja -Verena

    2014-10-10

    CeO2 nanoparticles were synthesized via a one-step ultrasound synthesis in different kinds of ionic liquids based on bis(trifluoromethanesulfonylamide, [Tf2N], in combination with various cations including 1-butyl-3-methylimidazolium ([C4mim]+), 1-ethyl-2,3-dimethylimidazolium ([Edimim]+), butyl-pyridinium([Py4]+), 1-butyl-1-methyl-pyrrolidinium ([Pyrr14]+), and 2-hydroxyethyl-trimethylammonium ([N1112OH]+). Depending on synthetic parameters, such as ionic liquid, Ce(IV) precursor, heating method, and precipitator, formed ceria exhibits different morphologies, varying from nanospheres, nanorods, nanoribbons, and nanoflowers. The morphology, crystallinity, and chemical composition of the obtained materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and N2 adsorption. The structural and electronic properties of the as-prepared CeO2 samples were probed by CO adsorption using IR spectroscopy under ultrahigh vacuum conditions. The catalytic activities of CeO2 nanoparticles were investigated in the oxidation of CO. CeO2 nanospheres obtained sonochemically in [C4mim][Tf2N] exhibit the best performance for low-temperature CO oxidation. As a result, the superior catalytic performance of this material can be related to its mesoporous structure, small particle size, large surface area, and high number of surface oxygen vacancy sites.

  19. Effect of Oxygen Defects on the Catalytic Performance of VOx/CeO2 Catalysts for Oxidative Dehydrogenation of Methanol

    SciTech Connect (OSTI)

    Li, Yan; Wei, Zhehao; Gao, Feng; Kovarik, Libor; Baylon, Rebecca A.; Peden, Charles HF; Wang, Yong

    2015-05-01

    In this work, CeO2 nanocubes with controlled particle size and dominating (100) facets are synthesized as supports for VOx catalysts. Combined TEM, SEM, XRD, and Raman study reveals that the oxygen vacancy density of CeO2 supports can be tuned by tailoring the particle sizes without altering the dominating facets, where smaller particle sizes result in larger oxygen vacancy densities. At the same vanadium coverage, the VOx catalysts supported on small-sized CeO2 supports with higher oxygen defect densities exhibit promoted redox property and lower activation energy for methoxyl group decomposition, as evidenced by H2-TPR and methanol TPD study. These results further confirm that the presence of oxygen vacancies plays an important role in promoting the activity of VOx species in methanol oxidation. We gratefully acknowledge financial support from the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Part of this work was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for the DOE by Battelle.

  20. GET FiT Plus: De-risking clean energy business models in a developing country context

    SciTech Connect (OSTI)

    2011-04-15

    GET Fit was first conceived in January 2010 when the United Nations Secretary General's Advisory Group on Energy and Climate Change (AGECC) invited Deutsche Bank Climate Change Advisors (DBCCA) to present new concepts to drive renewable energy investment in developing regions. DBCCA responded with the Global Energy Transfer Feed-in Tariffs Program (GET FiT), a proposal to support both renewable energy scale up and energy access through the creation of new international public-private partnerships. The concept was inspired by the theory that feed-in tariffs could serve as an effective policy structure for both public and private investment and knowledge transfer from the developed world. The original GET FiT concept was designed with input from over 160 individuals from the renewable energy, financial and international development communities. The original GET FiT report was issued in April 2010. This report reflects continued engagement of stakeholders around the world. GET FiT plus is an effort to capture the key outcomes of the GET FiT consultation process and use them to catalyze ongoing dialogue and debate about the future of international support for renewable energy in developing regions. These outcomes have been translated into key research priorities. These priorities, as well as some short issue briefs are part of this report.

  1. F&I Contacts | Department of Energy

    Energy Savers [EERE]

    Mark Gordy 301-337-6001 mark.gordy@hq.doe.gov Michael Kohut 301-337-6004 michael.kohut@hq.doe.gov Gayle Smith 301-337-6002 gayle.smith@hq.doe.gov CAIS Administrators Ruth Ann Smith ...

  2. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    SciTech Connect (OSTI)

    Aghamohammadi, Sogand; Haghighi, Mohammad; Charghand, Mojtaba

    2014-02-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH{sub 3}-TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH{sub 3}-TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive

  3. SESAME 96170, a solid-liquid equation of state for CeO2

    SciTech Connect (OSTI)

    Chisolm, Eric D.

    2014-05-02

    I describe an equation of state (EOS) for the low-pressure solid phase and liquid phase of cerium (IV) oxide, CeO2. The models and parameters used to calculate the EOS are presented in detail, and I compare with data for the full-density crystal. Hugoniot data are available only for high-porosity powders, and I discuss difficulties in comparing with such data. I have constructed SESAME 96170, an EOS for cerium (IV) oxide that includes the ambient solid and liquid phases. The EOS extends over the full standard SESAME range, but should not be used at low temperatures and high densities because of the lack of a high-pressure solid phase. I have described the models used to compute the three terms of the EOS (cold curve, nuclear, and thermal electronic), and I have given the parameters used in the models. They were determined by comparison with experimental data at P = 1 atm, including the constant-pressure specific heat, coefficient of thermal expansion, and melting and boiling points. The EOS compares well with data in its intended range of validity, but the presence of high-frequency optical modes in its phonon spectrum limits the agreement of our models with thermal data. The next step is to construct a multiphase EOS that includes the low- and high-pressure solid phases and the liquid. The DAC data from Duclos will most strongly constrain the parameters of the high-pressure solid. A remaining issue is the comparison of the crystal-density EOS with experimental Hugoniot data, which are taken at much lower initial data because the samples are porous powders. A satisfactory means of modeling porosity, allowing comparison of theory and experiment, has not yet been produced.

  4. Crystal structure and thermal expansion of a CsCe2Cl7 scintillator

    SciTech Connect (OSTI)

    Zhuravleva, M.; Lindsey, A.; Chakoumakos, B. C.; Custelcean, R.; Meilleur, F.; Hughes, R. W.; Kriven, W. M.; Melcher, C. L.

    2015-04-06

    Here we used single-crystal X-ray diffraction data to determine crystal structure of CsCe2Cl7. It crystallizes in a P1121/b space group with a = 19.352(1) Å, b = 19.352(1) Å, c = 14.838(1) Å, γ = 119.87(2) ° , and V = 4818.6(5) Å3. Differential scanning calorimetry measurements combined with the structural evolution of CsCe2Cl7 via X-ray diffractometry over a temperature range from room temperature to the melting point indicates no obvious intermediate solid-solid phase transitions. The anisotropy in the average linear coefficient of thermal expansion of the a axis (21.3 10-6/ °C) with respect to the b and c axes (27.0 10-6/ °C) was determined through lattice parameter refinement of the temperature dependent diffraction patterns. Lastly, these findings suggest that the reported cracking behavior during melt growth of CsCe2Cl7 bulk crystals using conventional Bridgman and Czochralski techniques may be largely attributed to the anisotropy in thermal expansion.

  5. 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.

  6. Superior performance of Ni-W-Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants

    SciTech Connect (OSTI)

    Rodriguez, Jose A.; Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Johnson-Peck, Aaron C.; Zhao, Fuzhen; Michorczyk, Piotr; Kubacka, Anna; Stach, Eric A.; Fernandez-Garica, Marcos; Senanayake, Sanjaya D.

    2014-11-26

    The ethanol steam reforming (ESR) reaction was studied over a series of Ni-W-Ce oxide catalysts. The structures of the catalysts were characterized using in-situ techniques including X-ray diffraction, Pair Distribution Function, X-ray absorption fine structure and transmission electron microscopy; while possible surface intermediates for the ESR reaction were investigated by Diffuse Reflectance Infrared Fourier Transform Spectroscopy. In these materials, all the W and part of the Ni were incorporated into the CeO? lattice, with the remaining Ni forming highly dispersed nano NiO (< 2 nm) outside the Ni-W-Ce oxide structure. The nano NiO was reduced to Ni under ESR conditions. The Ni-W-Ce systeme exhibited a much larger lattice strain than those seen for Ni-Ce and W-Ce. Synergistic effects between Ni and W inside ceria produced a substantial amount of defects and O vacancies that led to high catalytic activity, selectivity and stability (i.e. resistance to coke formation) during ethanol steam reforming.

  7. Superior performance of Ni–W–Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants

    SciTech Connect (OSTI)

    Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Johnson-Peck, Aaron C.; Zhao, Fuzhen; Michorczyk, Piotr; Kubacka, Anna; Stach, Eric A.; Fernández-García, Marcos; Senanayake, Sanjaya D.; Rodriguez, José A.

    2014-11-26

    In this study, the ethanol steam reforming (ESR) reaction was examined over a series of Ni-W-Ce oxide catalysts. The structures of the catalysts were characterized using in-situ techniques including X-ray diffraction, Pair Distribution Function, X-ray absorption fine structure and transmission electron microscopy; while possible surface intermediates for the ESR reaction were investigated by Diffuse Reflectance Infrared Fourier Transform Spectroscopy. In these materials, all the W and part of the Ni were incorporated into the CeO₂ lattice, with the remaining Ni forming highly dispersed nano NiO (< 2 nm) outside the Ni-W-Ce oxide structure. The nano NiO was reduced to Ni under ESR conditions. The Ni-W-Ce systeme exhibited a much larger lattice strain than those seen for Ni-Ce and W-Ce. Synergistic effects between Ni and W inside ceria produced a substantial amount of defects and O vacancies that led to high catalytic activity, selectivity and stability (i.e. resistance to coke formation) during ethanol steam reforming.

  8. Superior performance of Ni–W–Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants

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

    Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Johnson-Peck, Aaron C.; Zhao, Fuzhen; Michorczyk, Piotr; Kubacka, Anna; Stach, Eric A.; Fernández-García, Marcos; Senanayake, Sanjaya D.; et al

    2014-11-26

    In this study, the ethanol steam reforming (ESR) reaction was examined over a series of Ni-W-Ce oxide catalysts. The structures of the catalysts were characterized using in-situ techniques including X-ray diffraction, Pair Distribution Function, X-ray absorption fine structure and transmission electron microscopy; while possible surface intermediates for the ESR reaction were investigated by Diffuse Reflectance Infrared Fourier Transform Spectroscopy. In these materials, all the W and part of the Ni were incorporated into the CeO₂ lattice, with the remaining Ni forming highly dispersed nano NiO (< 2 nm) outside the Ni-W-Ce oxide structure. The nano NiO was reduced to Nimore » under ESR conditions. The Ni-W-Ce systeme exhibited a much larger lattice strain than those seen for Ni-Ce and W-Ce. Synergistic effects between Ni and W inside ceria produced a substantial amount of defects and O vacancies that led to high catalytic activity, selectivity and stability (i.e. resistance to coke formation) during ethanol steam reforming.« less

  9. Structural characterization of the CeO{sub 2}/Gd{sub 2}O{sub 3} mixed system by synchrotron X-ray diffraction

    SciTech Connect (OSTI)

    Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper

    2012-06-15

    The structural determination of the CeO{sub 2}/Gd{sub 2}O{sub 3} mixed system is a non-trivial problem because of the close resemblance between the ionic sizes of Ce{sup 4+} and Gd{sup 3+} and between the crystal structures of CeO{sub 2} and Gd{sub 2}O{sub 3}. (Ce{sub 1-x}Gd{sub x})O{sub 2-x/2} powder samples with x ranging between 0 and 1 have been synthesized by coprecipitation of mixed oxalates and subsequent thermal decomposition in air at 1200 Degree-Sign C followed by slow cooling. Synchrotron powder X-ray diffraction data were collected and refined by the Rietveld method. Lattice parameters do not follow Vegard's law and no peak splitting has been observed for any composition, meaning that no biphasic regions exist over the whole compositional range. The same hybrid structural model - a proper mixture of the structures of the two pure oxides - was used for the refinements, allowing to account for the data observed. - graphical abstract: Substituting Ce{sup 4+} by Gd{sup 3+}, a gradual transition from the F structure (typical of CeO{sub 2}) to the C structure (typical of Gd{sub 2}O{sub 3}) takes place. The lattice parameters do not follow Vegard's law. Highlights: Black-Right-Pointing-Pointer A structural study of Ce-Gd mixed oxides has been performed. Black-Right-Pointing-Pointer In (Ce{sub 1-x}Gd{sub x})O{sub 2-x/2} a solid solution forms for 0{<=}x{<=}0.3. Black-Right-Pointing-Pointer For x>0.3 a gradual transition from the C to the F structure is observed. Black-Right-Pointing-Pointer Lattice parameters do not follow Vegard's law.

  10. Crystalline Electric Field as a Probe for Long-Range Antiferromagnetic Order and Superconducting State of CeFeAsO1-xFx

    SciTech Connect (OSTI)

    Chi, Songxue; Adroja, D. T.; GUIDI, T.; Bewley, Robert I.; Li, Shiliang; Zhao, Jun; Lynn, J. W.; Brown, C. M.; Qiu, Y.; Chen, G. F,; Luo, J. L.; Wang, N. L.; Dai, Pengcheng

    2008-01-01

    We use inelastic neutron scattering to study the crystalline electric field (CEF) excitations of Ce{sup 3+} in CeFeAsO{sub 1-x}F{sub x} (x=0, 0.16). For nonsuperconducting CeFeAsO, the Ce CEF levels have three magnetic doublets in the paramagnetic state, but these doublets split into six singlets when the Fe ions order antiferromagnetically. For superconducting CeFeAsO{sub 0.84}F{sub 0.16} (T{sub c} = 41 K), where the static antiferromagnetic order is suppressed, the Ce CEF levels have three magnetic doublets at {h_bar}{sub {omega}} = 0, 18.7, 58.4 meV at all temperatures. Careful measurements of the intrinsic linewidth {Lambda} and the peak position of the 18.7 meV mode reveal a clear anomaly at T{sub c}, consistent with a strong enhancement of local magnetic susceptibility {chi}{double_prime}({h_bar}{sub {omega}}) below T{sub c}. These results suggest that CEF excitations in the rare-earth oxypnictides can be used as a probe of spin dynamics in the nearby FeAs planes.

  11. Synthesis of mesoporous Bi{sub 2}O{sub 3}/CeO{sub 2} microsphere for photocatalytic degradation of Orange II dye

    SciTech Connect (OSTI)

    Hsieh, Shu-Han; Manivel, Arumugam; Lee, Gang-Juan; Wu, Jerry J.

    2013-10-15

    Graphical abstract: - Highlights: • Bi{sub 2}O{sub 3}/CeO{sub 2} microspheres were successfully synthesized by a hydrothermal procedure. • Bi{sub 2}O{sub 3}/CeO{sub 2} microspheres were used to remove wastewater pollutant containing azo dye. • The activity of Bi{sub 2}O{sub 3}/CeO{sub 2} is synergically enhanced compared to its pristine forms. - Abstract: We report on the visible-light responsive porous assembly of Bi{sub 2}O{sub 3}/CeO{sub 2} microspheres, which were synthesized via a simple hydrothermal reaction between Bi(NO{sub 3}){sub 3}·5H{sub 2}O and Ce(NO{sub 3}){sub 3}·6H{sub 2}O in the presence of ethylene glycol and ethanol. Systematic structural (X-ray diffraction (XRD)), morphological (field emission scanning electron microscopy (FE-SEM) and transmission electron microscopic (TEM)), BET surface area and diffuse reflectance spectral (DRS) analyses were carried out to characterize the formed product. The effects of experimental parameters on the microstructural and morphological behavior of Bi{sub 2}O{sub 3}/CeO{sub 2} composites were discussed. The semiconductor material as obtained was evaluated as a heterogeneous photocatalyst for the photolytic degradation of an azo dye in water and the degradation was found to follow pseudo-first-order rate kinetics. The study compares the rate constants of the new hybrid catalyst to a pristine Bi{sub 2}O{sub 3} and CeO{sub 2}, which has excellent catalytic properties under visible light irradiation for the degradation of Orange II dye.

  12. Hierarchical Heterogeneity at the CeO x –TiO 2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures

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

    Luo, Si; Nguyen-Phan, Thuy-Duong; Johnston-Peck, Aaron C.; Barrio, Laura; Sallis, Shawn; Arena, Dario A.; Kundu, Shankhamala; Xu, Wenqian; Piper, Louis F. J.; Stach, Eric A.; et al

    2015-01-13

    Mixed oxide interfaces are critical for delivering active components of demanding catalytic processes such as the photo-catalytic splitting of water. We have studied CeOxTiO₂ catalysts with low ceria loadings of 1 wt%, 3 wt% and 6 wt% that were prepared with wet impregnation methods to favor a strong interaction between CeOx and TiO₂. In these materials the interfaces between CeOx-TiO₂ have been sequentially loaded (1%, 3% and 6%), with and without Pt (0.5 wt%). The structure and properties of the catalysts were characterized using several X-ray and electron based techniques including XRD, XPS, UPS, NEXAFS, UV-Vis and HR-STEM/STEM-EELS, to unravelmore » the local morphology, bulk structure, surface states and electronic structure. The combination of all these techniques allow us to analyze in a systematic way the complete structural and electronic properties that prevail at the CeOx-TiO₂ interface. Fluorite structured nano crystallites of ceria on anatase-structured titania were identified by both XRD and NEXAFS. A sequential increasing of the CeOx loading led to the formation of clusters, then plates and finally nano particles in a hierarchical manner on the TiO₂ support. The electronic structures of these catalysts indicate that the interaction between TiO₂ and CeO₂ is closely related to the local morphology of nanostructured CeO₂. Ce³⁺ cations were detected at the surface of CeO₂ and at the interface of the two oxides. In addition, the titania is perturbed by the interaction with ceria and also with Pt. The photocatalytic activity for the splitting of H₂O using UV light was measured for these materials and correlated with our understanding of the electronic and structural properties. Optimal catalytic performance and photo response results were found for the 1 wt% CeOx-TiO₂ catalyst where low dimensional geometry of the ceria provided ideal electronic and geometrical properties. The structural and electronic properties of the interface

  13. Hierarchical heterogeneity at the CeOx-TiO? interface: Electronic and geometric structural influence on the photocatalytic activity of oxide on oxide nanostructures

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

    None

    2015-01-13

    Mixed oxide interfaces are critical for delivering active components of demanding catalytic processes such as the photo-catalytic splitting of water. We have studied CeOxTiO? catalysts with low ceria loadings of 1 wt%, 3 wt% and 6 wt% that were prepared with wet impregnation methods to favor a strong interaction between CeOx and TiO?. In these materials the interfaces between CeOx-TiO? have been sequentially loaded (1%, 3% and 6%), with and without Pt (0.5 wt%). The structure and properties of the catalysts were characterized using several X-ray and electron based techniques including XRD, XPS, UPS, NEXAFS, UV-Vis and HR-STEM/STEM-EELS, to unravelmorethe local morphology, bulk structure, surface states and electronic structure. The combination of all these techniques allow us to analyze in a systematic way the complete structural and electronic properties that prevail at the CeOx-TiO? interface. Fluorite structured nano crystallites of ceria on anatase-structured titania were identified by both XRD and NEXAFS. A sequential increasing of the CeOx loading led to the formation of clusters, then plates and finally nano particles in a hierarchical manner on the TiO? support. The electronic structures of these catalysts indicate that the interaction between TiO? and CeO? is closely related to the local morphology of nanostructured CeO?. Ce? cations were detected at the surface of CeO? and at the interface of the two oxides. In addition, the titania is perturbed by the interaction with ceria and also with Pt. The photocatalytic activity for the splitting of H?O using UV light was measured for these materials and correlated with our understanding of the electronic and structural properties. Optimal catalytic performance and photo response results were found for the 1 wt% CeOx-TiO? catalyst where low dimensional geometry of the ceria provided ideal electronic and geometrical properties. The structural and electronic properties of the interface were critical for the

  14. Response of LaBr{sub 3}(Ce) scintillators to 2.5 MeV fusion neutrons

    SciTech Connect (OSTI)

    Cazzaniga, C.; Nocente, M.; Gorini, G.; Istituto di Fisica del Plasma, Associazione EURATOM-ENEA-CNR, Via Roberto Cozzi 53, Milano 20125 ; Tardocchi, M.; Croci, G.; Giacomelli, L.; Angelone, M.; Pillon, M.; Villari, S.; Weller, A.; Petrizzi, L.; Collaboration: ASDEX Upgrade Team; JET-EFDA Contributors

    2013-12-15

    Measurements of the response of LaBr{sub 3}(Ce) to 2.5 MeV neutrons have been carried out at the Frascati Neutron Generator and at tokamak facilities with deuterium plasmas. The observed spectrum has been interpreted by means of a Monte Carlo model. It is found that the main contributor to the measured response is neutron inelastic scattering on {sup 79}Br, {sup 81}Br, and {sup 139}La. An extrapolation of the count rate response to 14 MeV neutrons from deuterium-tritium plasmas is also presented. The results are of relevance for the design of ?-ray diagnostics of fusion burning plasmas.

  15. Effect of magnetic fields on the Kondo insulator CeRhSb: Magnetoresistance and high-field heat capacity measurements

    SciTech Connect (OSTI)

    Malik, S.K.; Menon, L.; Pecharsky, V.K.; Gschneidner, K.A. Jr.

    1997-05-01

    The compound CeRhSb is a mixed valent Ce-based compound which shows a gap in the electronic density of states at low temperatures. The gap manifests by a rise in electrical resistivity{emdash}below about 8 K from which the gap energy is estimated to be about 4 K. We have carried out heat capacity measurements on this compound in various applied fields up to 9.85 T. The magnetic contribution to the heat capacity, {Delta}C, is found to have a maximum in {Delta}C/T vs T at 10 K, below which {Delta}C/T is linear with T. This is attributed to the fact that below this temperature, in the gapped state, the electronic density of states decreases linearly with decreasing temperature. On application of a magnetic field, the electronic specific heat coefficient {gamma} in the gapped state increases by {approximately}4mJ/molK{sup 2}. The maximum in {Delta}C/T vs T is observed in all fields, which shifts to lower temperatures {approximately}1K at 5.32 T and raises again at 9.85 T to about the same values as at H=0T. This suggests that the gap exists for all fields up to 9.85 T. Above 10 K, in the mixed-valent state, {Delta}C/T vs T decreases with increasing temperature in zero field. There is hardly any effect of application of field in the mixed-valent state. We have also carried out magnetoresistance measurements on CeRhSb up to fields of 5.5 T at 2, 4.5, 10, 20, and 30 K. The magnetoresistance in CeRhSb is positive at temperatures of 4.5 K and above, in applied fields up to 5.5 T. At 5.5 T, the magnetoresistance is maximum at 4.5 K (6{percent}) and decreases with increasing temperature. The observation of the maximum is consistent with the observation of a maximum in {Delta}C/T vs T and is due to a change in the density of states. At a temperature of 2 K, a negative magnetoresistance is observed for magnetic fields greater than {approximately}3.5T which suggests reduction in the gap. {copyright} {ital 1997} {ital The American Physical Society}

  16. Palmetto Clean Energy (PaCE) Program

    Office of Energy Efficiency and Renewable Energy (EERE)

    PaCE funding comes from the customers of participating utilities who voluntarily choose to support the program through an additional charge on their monthly utility bills. Of the $4, $3.50 goes t...

  17. Fabrication and microstructure of cerium doped lutetium aluminum garnet (Ce:LuAG) transparent ceramics by solid-state reaction method

    SciTech Connect (OSTI)

    Li, Junlang; Xu, Jian; Shi, Ying; Qi, Hongfang; Xie, Jianjun; Lei, Fang

    2014-07-01

    Highlights: We fabricate Ce doped lutetium aluminum garnet ceramics by solid-state method. The raw materials include Lu{sub 2}O{sub 3} nanopowders synthesized by co-precipitation method. The density of the transparent ceramics reach 99.7% of the theoretical value. The optical transmittance of the bulk ceramic at 550 nm was 57.48%. Some scattering centers decrease the optical characteristic of the ceramic. - Abstract: Polycrystalline Ce{sup 3+} doped lutetium aluminum garnet (Ce:LuAG) transparent ceramics fabricated by one step solid-state reaction method using synthetic nano-sized Lu{sub 2}O{sub 3}, commercial ?-Al{sub 2}O{sub 3} and CeO{sub 2} powders were investigated in this paper. The green compacts shaped by the mixed powders were successfully densified into Ce:LuAG transparent ceramics after vacuum sintering at 1750 C for 10 h. The in-line optical transmittance of the Ce:LuAG ceramic made by home-made Lu{sub 2}O{sub 3} powders could reach 57.48% at 550 nm, which was higher than that of the ceramic made by commercial Lu{sub 2}O{sub 3} powders (22.96%). The microstructure observation showed that light scattering centers caused by micro-pores, aluminum segregation and refraction index inhomogeneities induced the decrease of optical transparency of the Ce:LuAG ceramics, which should be removed and optimized in the future work.

  18. Water Dissociation on CeO2(100) and CeO2(111) Thin Films

    SciTech Connect (OSTI)

    Mullins, David R; Albrecht, Peter M; Chen, Tsung-Liang; Calaza, Florencia C; Biegalski, Micahel; Christen, Hans; Overbury, Steven {Steve} H

    2012-01-01

    This study reports and compares the adsorption and dissociation of water on oxidized and reduced CeO{sub 2}(100) and CeO{sub 2}(111) thin films. Water adsorbs dissociatively on both surfaces. On fully oxidized CeO{sub 2}(100) the resulting surface hydroxyls are relatively stable and recombine and desorb as water over a range from 200 to 600 K. The hydroxyls are much less stable on oxidized CeO{sub 2}(111), recombining and desorbing between 200 and 300 K. Water produces 30% more hydroxyls on reduced CeO{sub 1.7}(100) than on oxidized CeO{sub 2}(100). The hydroxyl concentration increases by 160% on reduced CeO{sub 1.7}(111) compared to oxidized CeO{sub 2}(111). On reduced CeO{sub 1.7}(100) most of the hydroxyls still recombine and desorb as water between 200 and 750 K. Most of the hydroxyls on reduced CeO{sub 1.7}(111) react to produce H{sub 2} at 560 K, leaving O on the surface. A relatively small amount of H{sub 2} is produced from reduced CeO{sub 1.7}(100) between 450 and 730 K. The differences in the adsorption and reaction of water on CeO{sub X}(100) and CeO{sub X}(111) are attributed to different adsorption sites on the two surfaces. The adsorption site on CeO{sub 2}(100) is a bridging site between two Ce cations. This adsorption site does not change when the ceria is reduced. The adsorption site on CeO{sub 2}(111) is atop a single Ce cation, and the proton is transferred to a surface O in a site between three Ce cations. When the CeO{sub X}(111) is reduced, vacancy sites are produced which allows the water to adsorb and dissociate on the 3-fold Ce cation sites.

  19. Rapid Microwave Preparation of Highly Efficient Ce[superscript 3+]-Substituted Garnet Phosphors for Solid State White Lighting

    SciTech Connect (OSTI)

    Birkel, Alexander; Denault, Kristin A.; George, Nathan C.; Doll, Courtney E.; Hry, Bathylle; Mikhailovsky, Alexander A.; Birkel, Christina S.; Hong, Byung-Chul; Seshadri, Ram (UCSB); (Mitsubishi)

    2012-04-30

    Ce{sup 3+}-substituted aluminum garnet compounds of yttrium (Y{sub 3}Al{sub 5}O{sub 12}) and lutetium (Lu{sub 3}Al{sub 5}O{sub 12}) - both important compounds in the generation of (In,Ga)N-based solid state white lighting - have been prepared using a simple microwave heating technique involving the use of a microwave susceptor to provide the initial heat source. Carbon used as the susceptor additionally creates a reducing atmosphere around the sample that helps stabilize the desired luminescent compound. High quality, phase-pure materials are prepared within a fraction of the time and using a fraction of the energy required in a conventional ceramic preparation; the microwave technique allows for a reduction of about 95% in preparation time, making it possible to obtain phase pure, Ce{sup 3+}-substituted garnet compounds in under 20 min of reaction time. It is estimated that the overall reduction in energy compared with ceramic routes as practiced in the lab is close to 99%. Conventionally prepared material is compared with material prepared using microwave heating in terms of structure, morphology, and optical properties, including quantum yield and thermal quenching of luminescence. Finally, the microwave-prepared compounds have been incorporated into light-emitting diode 'caps' to test their performance characteristics in a real device, in terms of their photon efficiency and color coordinates.

  20. Effect of Doping on Surface Reactivity and Conduction Mechanism in Sm-doped CeO2 Thin Films

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

    Yang, Nan; Belianinov, Alex; Strelcov, Evgheni; Tebano, Antonello; Daniele, Di Castro; Schlueter, Christoph; Lee, Tien-Lin; Baddorf, Arthur P.; Wisinger, Nina; Jesse, Stephen; et al

    2014-11-21

    Scanning probe microscopy measurements show irreversible surface electrochemistry in Sm-doped CeO2 thin films, which depends on humidity, temperature and doping concentration. A systematic study by electrochemical strain microscopy (ESM) in samples with two different Sm content and in several working conditions allows disclosing the microscopic mechanism underlying the difference in water adsorption and splitting with subsequent proton liberation. We measure the behavior of the hysteresis loops by changing temperature and humidity, both in standard ESM configuration and using the first order reversal curve (FORC) method. Complementing our study with spectroscopic measurements by hard x-ray photoemission spectroscopy we find that watermore » incorporation is favored until the doping with Sm is too high to allow the presence of Ce3+. The influence of doping on the surface reactivity and conduction mechanism clearly emerges from all of our experimental results. We find that at lower Sm concentration proton conduction is prevalent, featured by lower activation energy and higher mobility. Defect concentrations determine the type of the prevalent charge carrier in a doping dependent manner.« less

  1. Generation and reactivity of putative support systems, Ce-Al neutral binary oxide nanoclusters: CO oxidation and CH bond activation

    SciTech Connect (OSTI)

    Wang, Zhe-Chen; Yin, Shi; Bernstein, Elliot R.

    2013-11-21

    Both ceria (CeO{sub 2}) and alumina (Al{sub 2}O{sub 3}) are very important catalyst support materials. Neutral binary oxide nanoclusters (NBONCs), Ce{sub x}Al{sub y}O{sub z}, are generated and detected in the gas phase and their reactivity with carbon monoxide (CO) and butane (C{sub 4}H{sub 10}) is studied. The very active species CeAlO{sub 4}{sup } can react with CO and butane via O atom transfer (OAT) and H atom transfer (HAT), respectively. Other Ce{sub x}Al{sub y}O{sub z} NBONCs do not show reactivities toward CO and C{sub 4}H{sub 10}. The structures, as well as the reactivities, of Ce{sub x}Al{sub y}O{sub z} NBONCs are studied theoretically employing density functional theory (DFT) calculations. The ground state CeAlO{sub 4}{sup } NBONC possesses a kite-shaped structure with an O{sub t}CeO{sub b}O{sub b}AlO{sub t} configuration (O{sub t}, terminal oxygen; O{sub b}, bridging oxygen). An unpaired electron is localized on the O{sub t} atom of the AlO{sub t} moiety rather than the CeO{sub t} moiety: this O{sub t} centered radical moiety plays a very important role for the reactivity of the CeAlO{sub 4}{sup } NBONC. The reactivities of Ce{sub 2}O{sub 4}, CeAlO{sub 4}{sup }, and Al{sub 2}O{sub 4} toward CO are compared, emphasizing the importance of a spin-localized terminal oxygen for these reactions. Intramolecular charge distributions do not appear to play a role in the reactivities of these neutral clusters, but could be important for charged isoelectronic BONCs. DFT studies show that the reaction of CeAlO{sub 4}{sup } with C{sub 4}H{sub 10} to form the CeAlO{sub 4}HC{sub 4}H{sub 9}{sup } encounter complex is barrierless. While HAT processes have been previously characterized for cationic and anionic oxide clusters, the reported study is the first observation of a HAT process supported by a ground state neutral oxide cluster. Mechanisms for catalytic oxidation of CO over surfaces of Al{sub x}O{sub y}/M{sub m}O{sub n} or M{sub m}O{sub n}/Al{sub x}O{sub y

  2. Electronic and optical properties of layered RE{sub 2}Ti{sub 2}O{sub 7} (RE = Ce and Pr) from first principles

    SciTech Connect (OSTI)

    Sayede, A.; Khenata, R.; Chahed, A.; Benhelal, O.

    2013-05-07

    We have studied the structural and electronic properties of Ce{sub 2}Ti{sub 2}O{sub 7} (CeTO) and Pr{sub 2}Ti{sub 2}O{sub 7} (PrTO) by first-principles density functional theory calculations. The computed structural parameters are in fairly good agreement with the available experimental findings. Band structure calculations using the GGA+U approach predict an insulating ground state for the herein studied compounds. The insulating band gaps of 2.00 eV and 2.83 eV are found for CeTO and PrTO, respectively. The analysis of the density of states reveals that the strongly localized RE 4f levels act as charge-trapping sites, predicting a lower photocatalytic activity for CeTO. We have also calculated the optical properties for both CeTO and PrTO. Based on these properties, it is predicted that these titanates are insensitive to ultra-violet radiation, while they are more sensitive to frequencies of the radiation in visible and early UV regions.

  3. Chemical Reduction of Nd1.85Ce0.15CuO4??Powders in Supercritical Sodium Ammonia Solutions

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

    Dias, Yasmin; Wang, Hui; Zhou, Haiqing; Lin, Feng; Lan, Yucheng

    2015-01-01

    Nd1.85Ce0.15CuO4??powders are chemically reduced in supercritical sodium ammonia solutions from room temperature to 350C. The crystallographic structure of the reduced powders is investigated from Rietveld refinement of X-ray powder diffraction. The atomic positions are maintained constant within experimental errors while temperature factors of all atoms increase significantly after the chemical treatments, especially of Nd/Ce atoms. The ammonothermally reduced Nd1.85Ce0.15CuO4??powders show diamagnetic below 24?K which is contributed to the lower oxygen content and higher temperature factors of atoms in the treated compound. The ammonothermal method paves a new way to reduce oxides in supercritical solutions near room temperature.

  4. Chemical Reduction of Nd 1.85 Ce 0.15 CuO 4− δ Powders in Supercritical Sodium Ammonia Solutions

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

    Dias, Yasmin; Wang, Hui; Zhou, Haiqing; Lin, Feng; Lan, Yucheng

    2015-01-01

    Nd 1.85 Ce 0.15 CuO 4− δ powders are chemically reduced in supercritical sodium ammonia solutions from room temperature to 350°C. The crystallographic structure of the reduced powders is investigated from Rietveld refinement of X-ray powder diffraction. The atomic positions are maintained constant within experimental errors while temperature factors of all atoms increase significantly after the chemical treatments, especially of Nd/Ce atoms. The ammonothermally reduced Nd 1.85 Ce 0.15 CuO 4− δ powders show diamagnetic below 24 K which is contributed to the lower oxygen content and higher temperature factors of atoms in the treated compound.more » The ammonothermal method paves a new way to reduce oxides in supercritical solutions near room temperature.« less

  5. Reactivity of pulverized coals during combustion catalyzed by CeO{sub 2} and Fe{sub 2}O{sub 3}

    SciTech Connect (OSTI)

    Gong, Xuzhong; Guo, Zhancheng; Wang, Zhi

    2010-02-15

    Effects of CeO{sub 2} and Fe{sub 2}O{sub 3} on combustion reactivity of several fuels, including three ranks of coals, graphite and anthracite chars, were investigated using thermo-gravimetric analyzer. The results indicated that the combustion reactivity of all the samples except lignite was improved with CeO{sub 2} or Fe{sub 2}O{sub 3} addition. It was interesting to note that the ignition temperatures of anthracite were decreased by 50 C and 53 C, respectively, with CeO{sub 2} and Fe{sub 2}O{sub 3} addition and that its combustion rates were increased to 15.4%/min and 12.2%/min. Ignition temperatures of lignite with CeO{sub 2} and Fe{sub 2}O{sub 3} addition were 250 C and 226 C, and the combustion rates were 12.8% and 19.3%/min, respectively. When compared with those of lignite without catalysts, no obvious catalytic effects of the two catalysts on its combustion reactivity were revealed. The results from the combustion of the three rank pulverized coals catalyzed by CeO{sub 2} and Fe{sub 2}O{sub 3} indicated significant effects of the two catalysts on fixed carbon combustion. And it was found that the higher the fuel rank, the better the catalytic effect. The results of combustion from two kinds of anthracite chars showed obvious effects of anthracite pyrolysis catalyzed by CeO{sub 2} and Fe{sub 2}O{sub 3} on its combustion reactivity. (author)

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    Office of Legacy Management (LM)

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  7. 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

  8. 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

  9. High Catalytic Activity of Au/CeOx/TiO2(110) Controlled by the Nature of the Mixed Metal Oxide at the Nanometer Level

    SciTech Connect (OSTI)

    Park, J.; Graciani, J; Evans, J; Stacchiola, D; Ma, S; Liu, P; Nambu, A; Sanz, J; Hrbek, J; et. al.

    2009-01-01

    Mixed-metal oxides play a very important role in many areas of chemistry, physics, materials science, and geochemistry. Recently, there has been a strong interest in understanding phenomena associated with the deposition of oxide nanoparticles on the surface of a second (host) oxide. Here, scanning tunneling microscopy, photoemission, and density-functional calculations are used to study the behavior of ceria nanoparticles deposited on a TiO2(110) surface. The titania substrate imposes nontypical coordination modes on the ceria nanoparticles. In the CeOx/TiO2(110) systems, the Ce cations adopt an structural geometry and an oxidation state (+3) that are quite different from those seen in bulk ceria or for ceria nanoparticles deposited on metal substrates. The increase in the stability of the Ce3+ oxidation state leads to an enhancement in the chemical and catalytic activity of the ceria nanoparticles. The codeposition of ceria and gold nanoparticles on a TiO2(110) substrate generates catalysts with an extremely high activity for the production of hydrogen through the water-gas shift reaction (H2O + CO ? H2 + CO2) or for the oxidation of carbon monoxide (2CO + O2 ? 2CO2). The enhanced stability of the Ce3+ state is an example of structural promotion in catalysis described here on the atomic level. The exploration of mixed-metal oxides at the nanometer level may open avenues for optimizing catalysts through stabilization of unconventional surface structures with special chemical activity.

  10. Coadsorbed species explain the mechanism of methanol temperature-desorption on CeO2(111)

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

    Sutton, Jonathan E.; Steven H. Overbury; Beste, Ariana

    2016-03-24

    Here, we have used density functional theory calculations to investigate the temperature-programmed desorption (TPD) of methanol from CeO2(111). For the first time, low-temperature water formation and high-temperature methanol desorption are explained by our calculations. High coverages of methanol, which correspond to experimental conditions, are required to properly describe these features of the TPD spectrum. We identify a mechanism for the low-temperature formation of water involving the dissociation of two methanol molecules on the same surface O atom and filling of the resulting surface vacancy with one of the methoxy products. After water desorption, methoxy groups are stabilized on the surfacemore » and react at higher temperatures to form methanol and formaldehyde by a disproportionation mechanism. Alternatively, the stabilized methoxy groups undergo sequential C–H scission reactions to produce formaldehyde. Calculated energy requirements and methanol/formaldehyde selectivity agree with the experimental data.« less

  11. Response of Cs2LiYCl6:Ce (CLYC) to High Energy Protons

    SciTech Connect (OSTI)

    Coupland, Daniel David Schechtman; Stonehill, Laura Catherine; Goett, John Jerome III

    2015-11-23

    Cs2LiYCl6:Ce (CLYC) is a promising new inorganic scintillator for gamma and neutron detection. As a gamma-ray detector, it exhibits bright light output and better resolution and proportionality of response than traditional gamma-ray scintillators such as NaI. It is also highly sensitive to thermal neutrons through capture on 6Li, and recent experiments have demonstrated sensitivity to fast neutrons through interactions with 35Cl. The response of CLYC to other forms of radiation has not been reported. We have performed the first measurements of the response of CLYC to several-hundred MeV protons. We have collected digitized waveforms from proton events, and compare to those produced by gammas and thermal neutrons. Finally, we discuss the potential for pulse shape discrimination between them.

  12. Mechanistic Insights of Ethanol Steam Reforming over Ni–CeO x (111): The Importance of Hydroxyl Groups for Suppressing Coke Formation

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

    Liu, Zongyuan; Duchoň, Tomáš; Wang, Huanru; Peterson, Erik W.; Zhou, Yinghui; Luo, Si; Zhou, Jing; Matolín, Vladimir; Stacchiola, Dario J.; Rodriguez, José A.; et al

    2015-07-30

    We have studied the reaction of ethanol and water over Ni–CeO2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on Ni–CeO2-x(111) at varying Ce³⁺ concentrations (CeO1.8–2.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria. Ni⁰ is themore » active phase leading to both the C–C and C–H cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni₃C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metal–support interaction between nickel and ceria that facilitates oxygen transfer.« less

  13. Mechanistic insights of ethanol steam reforming over Ni-CeOx(111): The importance of hydroxyl groups for suppressing coke formation

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

    Liu, Zongyuan; Senanayake, Sanjaya D.; Duchon, Tomas; Wang, Huanru; Peterson, Erik W.; Zhou, Yinghui; Luo, Si; Zhou, Jing; Matolin, Vladimir; Stacchiola, Dario J.; et al

    2015-07-10

    We have studied the reaction of ethanol and water over NiCeO2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on NiCeO2-x(111) at varying Ce? concentrations (CeO1.82.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria. Ni? is themoreactive phase leading to both the CC and CH cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni?C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metalsupport interaction between nickel and ceria that facilitates oxygen transfer.less

  14. Mechanistic Insights of Ethanol Steam Reforming over Ni–CeO x (111): The Importance of Hydroxyl Groups for Suppressing Coke Formation

    SciTech Connect (OSTI)

    Liu, Zongyuan; Duchoň, Tomáš; Wang, Huanru; Peterson, Erik W.; Zhou, Yinghui; Luo, Si; Zhou, Jing; Matolín, Vladimir; Stacchiola, Dario J.; Rodriguez, José A.; Senanayake, Sanjaya D.

    2015-07-30

    We have studied the reaction of ethanol and water over Ni–CeO2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on Ni–CeO2-x(111) at varying Ce³⁺ concentrations (CeO1.8–2.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria. Ni⁰ is the active phase leading to both the C–C and C–H cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni₃C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metal–support interaction between nickel and ceria that facilitates oxygen transfer.

  15. Magnetic properties of CeFe11-xCoxTi with ThMn12 structure

    SciTech Connect (OSTI)

    Zhou, C; Pinkerton, FE; Herbst, JF

    2014-05-07

    A series of novel alloys CeFe11-xCoxTi (0 <= x <= 11) with ThMn12 structure has been successfully prepared by melt-spinning. The Curie temperature T-c increases with Co content x, reaching a maximum of 689 degrees C at x = 9 and declining to 664 degrees C at complete Co filling (x = 11). The room temperature saturation magnetization 4 pi M-s and magnetocrystalline anisotropy H-a have been estimated by fitting the first quadrant demagnetization curve with the Stoner-Wohlfarth model. 4 pi M-s first increases with increasing Co up to x = 3, then decrease. H-a has a complex dependence on Co content, which is indicative of a change in the easy magnetization direction from axis to plane and back as the Co content increases. (C) 2014 AIP Publishing LLC.

  16. Investigation of the hydrothermal crystallisation of the perovskite solid solution NaCe{sub 1?x}La{sub x}Ti{sub 2}O{sub 6} and its defect chemistry

    SciTech Connect (OSTI)

    Harunsani, Mohammad H.; Woodward, David I.; Peel, Martin D.; Ashbrook, Sharon E.; Walton, Richard I.

    2013-11-15

    Perovskites of nominal composition NaCe{sub 1?x}La{sub x}Ti{sub 2}O{sub 6} (0?x?1) crystallise directly under hydrothermal conditions at 240 C. Raman spectroscopy shows distortion from the ideal cubic structure and Rietveld analysis of powder X-ray and neutron diffraction reveals that the materials represent a continuous series in rhombohedral space group R3-bar c. Ce L{sub III}-edge X-ray absorption near edge structure spectroscopy shows that while the majority of cerium is present as Ce{sup 3+} there is evidence for Ce{sup 4+}. The paramagnetic Ce{sup 3+} affects the chemical shift and line width of {sup 23}Na MAS NMR spectra, which also show with no evidence for A-site ordering. {sup 2}H MAS NMR of samples prepared in D{sub 2}O shows the inclusion of deuterium, which IR spectroscopy shows is most likely to be as D{sub 2}O. The deuterium content is highest for the cerium-rich materials, consistent with oxidation of some cerium to Ce{sup 4+} to provide charge balance of A-site water. - Graphical abstract: A multi-element A-site perovskite crystallises directly from aqueous, basic solutions at 240 C; while the paramagnetic effect of Ce{sup 3+} on the {sup 23}Na NMR shows a homogeneous solid-solution, the incorporation of A-site water is also found from {sup 2}H NMR and IR, with oxidation of some cerium to charge balance proved by XANES spectroscopy. Display Omitted - Highlights: Direct hydrothermal synthesis allows crystallisation of a perovskite solid-solution. XANES spectroscopy shows some oxidation of Ce{sup 3+} to Ce{sup 4+}. The paramagnetism of Ce{sup 3+} shifts and broadens the {sup 23}Na solid-state NMR. The perovskite materials incorporate water as an A-site defect.

  17. 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.

  18. Synthesis and crystal structure of two new cerium rhodium oxides: Ce{sub 2/3-x}Rh{sup 3+}{sub 2}O{sub 4} (x{approx}0.12) with Ce mixed valency and Ce{sup 4+}Rh{sup 3+}{sub 2}O{sub 5}

    SciTech Connect (OSTI)

    Mizoguchi, Hiroshi; Zakharov, L.N.; Bhuvanesh, N.S.P.; Sleight, A.W.; Subramanian, M.A.

    2011-06-15

    The new compounds Ce{sub 2/3-x}Rh{sub 2}O{sub 4} (x{approx}0.11-0.14) and CeRh{sub 2}O{sub 5} have been prepared. Their structures were determined from single crystal X-ray diffraction data. Electrical and magnetic properties were also evaluated. Based on the structural analysis and physical properties, oxidation states for CeRh{sub 2}O{sub 5} can be assigned as Ce{sup 4+}Rh{sup 3+}{sub 2}O{sub 5}. A small variation in x was detected for Ce{sub 2/3-x}Rh{sub 2}O{sub 4} indicating a formula ranging from Ce{sup 3.64+}{sub 0.55}Rh{sup 3+}{sub 2}O{sub 4} to Ce{sup 3.81+}{sub 0.525}Rh{sup 3+}{sub 2}O{sub 4}. - Graphical abstract: The new compounds Ce{sub 2/3-x}Rh{sub 2}O{sub 4} (x{approx}0.11-0.14) and CeRh{sub 2}O{sub 5} have been prepared and their structures were determined from single crystal X-ray diffraction data. Electrical and magnetic properties were also evaluated. Highlights: > The new compounds CeRh{sub 2}O{sub 5} and Ce{sub 2/3-x}Rh{sub 2}O{sub 4} (x{approx}0.11-0.14) have been prepared. > Their structures were determined from single crystal X-ray diffraction data. > Valence picture is Ce{sup 4+}Rh{sup 3+}{sub 2}O{sub 5} and Ce{sup 3.64+}{sub 0.55}Rh{sup 3+}{sub 2}O{sub 4} to Ce{sup 3.81+}{sub 0.525}Rh{sup 3+}{sub 2}O{sub 4}.

  19. Lattice Disorder And Size-Induced Kondo Behavior in CeAl(2) And CePt(2+X)

    SciTech Connect (OSTI)

    Han, S.-W.; Booth, C.H.; Bauer, E.D.; Huang, P.H.; Chen, Y.Y.; Lawrence, J.M.; /LBL, Berkeley /Chonbuk Natl. U. /Los Alamos /Taiwan, Inst. Phys. /UC, Irvine

    2007-07-19

    When the particle size of CeAl{sub 2} and CePt{sub 2+x} samples is reduced to the nanometer scale, antiferromagnetism is suppressed and Kondo behavior dominates. We find that the Kondo temperature T{sub K} can either decrease (CeAl{sub 2}) or increase (CePt{sub 2+x}) in the nanoparticles relative to the bulk. Extended x-ray absorption fine-structure data show that the Ce-Al and Ce-Pt environments are significantly distorted in the nanoparticles. While such distortions should strongly affect magnetic and electronic properties, we find they cannot explain the observed changes in T{sub K}. Changes in the conduction density of states or other parameters must, therefore, play a significant role.

  20. Lattice disorder and size-induced Kondo behavior in CeAl2 andCePt2+x

    SciTech Connect (OSTI)

    Han, S.-W.; Booth, C.H.; Bauer, E.D.; Huang P.H.; Chen, Y.Y.; Lawrence, J.M.

    2006-03-14

    When the particle size of CeAl{sub 2} and CePt{sub 2+x} samples is reduced to the nanometer scale, antiferromagnetism is suppressed and Kondo behavior dominates. We find that the Kondo temperature T{sub K} can either decrease (CeAl{sub 2}) or increase (CePt{sub 2+x}) in the nanoparticles relative to the bulk. Extended x-ray absorption fine-structure data show that the Ce-Al and Ce-Pt environments are significantly distorted in the nanoparticles. While such distortions should strongly affect magnetic and electronic properties, we find they cannot explain the observed changes in T{sub K}. Changes in the conduction density of states or other parameters must, therefore, play a significant role.

  1. Spin reorientation and Ce-Mn coupling in antiferromagnetic oxypnictide CeMnAsO

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

    Zhang, Qiang; Tian, Wei; Peterson, Spencer G.; Dennis, Kevin W.; Vaknin, David

    2015-02-18

    Structure and magnetic properties of high-quality polycrystlline CeMnAsO, a parent compound of the “1111”-type oxypnictides, have been investigated using neutron powder diffraction and magnetization measurements. We find that CeMnAsO undergoes a C-type antiferromagnetic order with Mn2+(S = 5/2) moments pointing along the c axis below a relatively high Néel temperature of TN = 347(1) K. Below TSR = 35 K, two simultaneous transitions occur where the Mn moments reorient from the c axis to the ab plane preserving the C-type magnetic order, and Ce moments undergo long-range AFM ordering with antiparallel moments pointing in the ab plane. Another transition tomore » a noncollinear magnetic structure occurs below 7 K. The ordered moments of Mn and Ce at 2 K are 3.32(4) μB and 0.81(4)μB, respectively. We find that CeMnAsO primarily falls into the category of a local-moment antiferromagnetic insulator in which the nearest-neighbor interaction (J1) is dominant with J2 < J1/2 in the context of J1 – J2 – Jc model. The spin reorientation transition driven by the coupling between Ce and the transition metal seems to be common to Mn, Fe, and Cr ions, but not to Co and Ni ions in the isostructural oxypnictides. As a result, a schematic illustration of magnetic structures in Mn and Ce sublattices in CeMnAsO is presented.« less

  2. Crystal Chemistry and Luminescence of Ce3+ -Doped Lu2CaMg2(Si,Ge)3O12 and Its Use in LED Based Lighting

    SciTech Connect (OSTI)

    Setlur,A.; Heward, W.; Gao, Y.; Srivastava, A.; Chandron, R.; Shankar, M.

    2006-01-01

    In this paper, we describe the formation and luminescence of a new garnet phosphor for light emitting diode (LED) based lighting, Lu{sub 2}CaMg{sub 2}(Si,Ge){sub 3}O{sub 12}:Ce{sup 3+}.The regions for garnet phase formation are initially described with respect to larger rare earth substitution and show reasonable correlation to previous crystal chemistry studies for the garnet parent structure. While the pure silicate phosphor also has apatite second phases, a significant amount of Ce{sup 3+} enters the garnet phase, giving Ce{sup 3+} luminescence that is significantly redder when compared to typical Al{sup 3+} garnet phosphors with quantum efficiencies comparable to commercial Ce{sup 3+} garnet phosphors. Potential reasons for the emission red shift and the high quantum efficiency are discussed. Finally, the performance of these new phosphors is tested within LED based lamps. Lamps using these phosphors can reach color temperatures required for general illumination lighting and also have comparable phosphor conversion efficiencies when compared to lamps using typical garnet phosphors.

  3. UV absorption properties of ceria-modified compositions within the fluorite-type solid solution CeO{sub 2}-Y{sub 6}WO{sub 12}

    SciTech Connect (OSTI)

    Chevire, Francois; Munoz, Francisco; Baker, Charles F.; Tessier, Franck . E-mail: Franck.Tessier@univ-rennes1.fr; Larcher, Olivier; Boujday, Souhir; Colbeau-Justin, Christophe; Marchand, Roger

    2006-10-15

    A new fluorite-type solid solution domain has been evidenced in the system (1-x) CeO{sub 2}-x/7 Y{sub 6}WO{sub 12}{open_square}{sub 2} using the amorphous citrate route. All the studied phases (0{<=}x{<=}1) crystallize in a cubic-type symmetry. Diffuse reflectance spectra reveal a strong optical absorption between 380 and 400 nm. All substituted compositions spectral selectivities are estimated suitable for application as inorganic UV absorbers. The non linear variation observed in the optical gap values between Y{sub 6}WO{sub 12} and CeO{sub 2} is attributed to the presence of the cerium 4f-block band. Additionally, Time Resolved Microwave Conductivity (TRMC) experiment and phenol photodegradation analyses carried out on the Ce{sub 0.81}Y{sub 0.16}W{sub 0.03}O{sub 1.95}{open_square}{sub 0.05} (x=0.19) composition do not indicate any photocalatytic activity for this material. - Graphical abstract: Diffuse reflectance spectra of the Ce-Y-W-O samples calcined at 1000 deg. C.

  4. Water–gas shift reaction over gold nanoparticles dispersed on nanostructured CeOx–TiO2(110) surfaces: Effects of high ceria coverage

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

    Grinter, D. C.; Park, J. B.; Agnoli, S.; Evans, J.; Hrbek, J.; Stacchiola, D. J.; Senanayake, S. D.; Rodriguez, J. A.

    2016-08-01

    We used scanning tunnelling microscopy to study the morphology of an overlayer of ceria in contact with a TiO2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 × 2) relationship to the underlying TiO2(110)-(1 × 1). For the other half of the surface, it comprised CeOx nanoparticles and reconstructed TiOx supported on TiO2(110)-(1 × 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film and TiO2(110)-(1 × 1) areas,more » which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeOx/TiO2(110) model system proved to be a good catalyst for the water–gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO2(110) and Au/CeO2(111) systems. Finally, for Au/CeOx/TiO2(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce3 + formed during WGS reaction conditions.« less

  5. Resolution of the discrepancy between the variation of the physical properties of Ce1-xYbxCoIn5 single crystals and thin films with Yb composition

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

    Jang, S.; White, B. D.; Lum, I. K.; Kim, H.; Tanatar, M. A.; Straszheim, W. E.; Prozorov, R.; Keiber, T.; Bridges, F.; Shu, L.; et al

    2014-11-18

    The extraordinary electronic phenomena including an Yb valence transition, a change in Fermi surface topology, and suppression of the heavy fermion quantum critical field at a nominal concentration x≈0.2 have been found in the Ce1-xYbxCoIn5 system. These phenomena have no discernable effect on the unconventional superconductivity and normal-state non-Fermi liquid behaviour that occur over a broad range of x up to ~0.8. However, the variation of the coherence temperature T* and the superconducting critical temperature Tc with nominal Yb concentration x for bulk single crystals is much weaker than that of thin films. To determine whether differences in the actualmore » Yb concentration of bulk single crystals and thin film samples might be responsible for these discrepancies, we employed Vegard’s law and the spectroscopically determined values of the valences of Ce and Yb as a function of x to determine the actual composition xact of bulk single crystals. This analysis is supported by energy-dispersive X-ray spectroscopy, wavelength-dispersive X-ray spectroscopy, and transmission X-ray absorption edge spectroscopy measurements. The actual composition xact is found to be about one-third of the nominal concentration x up to x~0.5, and resolves the discrepancy between the variation of the physical properties of Ce1-xYbxCoIn5 single crystals and thin films with Yb concentration.« less

  6. Low temperature specific heat of the Kondo-semimetal CeNiSn in zero and applied magnetic fields

    SciTech Connect (OSTI)

    Brueckl, A.; Neumaier, K.; Einzel, D.; Andres, K.; Flaschin, S.; Kalvius, G.M.; Nakamoto, G.; Takabatake, T.

    1999-06-01

    The specific heat of several CeNiSn single crystals of various purity has been measured in the temperature range from 25 mK to 5 K and in magnetic fields from zero to 7 Tesla. At very low temperatures (below {approximately} 200 mK) the specific heat is found to vary linearly with temperature (C = {gamma}T), the coefficient {gamma} decreasing with increasing purity. Above 200 mK, the specific heat is well described as the sum of a linear and a quadratic term. An applied magnetic field affects mostly the linear term, which first slightly decreases, then strongly increases with field. In magnetic fields, a nuclear hyperfine specific heat contribution is superimposed, which is due mostly to the bare Zeeman-splitting of the {sup 115}Sn, {sup 117}Sn, {sup 119}Sn nuclei (all with spin I = 1/2 and with abundances of 0.35, 7.61, and 8.58% respectively) in the externally applied field. The results on the specific heat at very low temperatures in applied fields fit into the model of an enhanced (heavy-fermion type) density of states which is modified by coherent antiferromagnetic fluctuations into a V-shaped density of states at the Fermi energy.

  7. International Refrigeration: Order (2012-CE-1510) | Department...

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

    International Refrigeration: Order (2012-CE-1510) International Refrigeration: Order (2012-CE-1510) July 20, 2012 DOE ordered International Refrigeration Products to pay an 8,000 ...

  8. Substitution effect on the magnetic and transport properties of CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}

    SciTech Connect (OSTI)

    Kim, Soo-Whan; Lee, Kyujoon; Jung, Myung-Hwa; Adroja, D. T.; Demmel, F.; Taylor, J. W.

    2014-08-21

    We report the results of Mn substitution for Ni in CeNi{sub 0.8}Bi{sub 2} (i.e., CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}). All the samples have an antiferromagnetic ordered state below T{sub N} = 5.0 K due to localized 4f-magnetic moment on the Ce ions. Besides this antiferromagnetic ordering caused by Ce, the magnetic and transport properties are abruptly changed with increasing Mn contents at the boundary composition of x = 0.4. The magnetic state is changed into a ferromagnetic state around 200 K for x > 0.4, where the electrical resistivity is strongly suppressed to become simple metallic. These results of ferromagnetism and metallicity can be explained by the double exchange mechanism, rather than the simple picture of Doniach phase diagram. The mixed valence states of Ni and Mn ions are confirmed by X-ray photoelectron spectroscopy. For x ≤ 0.4, the initial Ni{sup 3+} state gradually changes to the Ni{sup 2+} state with increasing x up to 0.4. On further increase of x > 0.4, the Ni{sup 2+} state is replaced by the Mn{sup 2+} state, which gradually changes to the final Mn{sup 3+} state. We also present an inelastic neutron scattering (INS) measurements on CeNi{sub 0.8}Bi{sub 2} (i.e., x = 0) between 1.2 and 12 K. The high energy INS study reveals the presence of two well-defined crystal electric field (CEF) excitations near 9 meV and 19 meV at 1.2 K and 6 K, while the low energy INS study reveals the presence of quasielastic scattering above 4 K. We will discuss our INS results of CeNi{sub 0.8}Bi{sub 2} based on the CEF model.

  9. DE-EM-0001971 WIPP M&O F-i PART I - THE SCHEDULE SECTION F DELIVERIES OR PERFORMANCE

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

    F-i PART I - THE SCHEDULE SECTION F DELIVERIES OR PERFORMANCE Table of Content F.1 PERIOD OF PERFORMANCE ............................................................................ 1 F.2 PRINCIPAL PLACE OF PERFORMANCE .......................................................... 1 F.3 STOP-WORK ORDER (FAR 52.242-15) (AUG 1989)(ALTERNATE I) (APR 1984) ................................................................................................................... 1 DE-EM-0001971 WIPP M&O F-1

  10. High Activity of Ce1-xNixO2-y for H2 Production through Ethanol Steam Reforming: Tuning Catalytic Performance through Metal-Oxide Interactions

    SciTech Connect (OSTI)

    G Zhou; L Barrio; S Agnoli; S Senanayake; J Evans; A Kubacka; M Estrella; J Hanson; A Martinez-Arias; et al.

    2011-12-31

    The importance of the oxide: Ce{sub 0.8}Ni{sub 0.2}O{sub 2-y} is an excellent catalyst for ethanol steam reforming. Metal-oxide interactions perturb the electronic properties of the small particles of metallic nickel present in the catalyst under the reaction conditions and thus suppress any methanation activity. The nickel embedded in ceria induces the formation of O vacancies, which facilitate cleavage of the OH bonds in ethanol and water.

  11. Electrochemical Study on the Electrodeposition of U, Nd, Ce, La and Y on a Liquid Cadmium Cathode in a LiCl-KCl Eutectic Salt

    SciTech Connect (OSTI)

    Sung Bin Park; Jong Hyeon Lee; Sung Chan Hwang; Young Ho Kang; Joon Bo Shim; Han Soo Lee; Eung Ho Kim; Seong Won Park

    2007-07-01

    Electro-depositions of U, Nd, Ce, La and Y on a liquid cadmium cathode in a LiCl-KCl eutectic salt were studied by using an electrolytic cell. For the LiCl-KCl-UCl{sub 3}- NdCl{sub 3}-CeCl{sub 3}-LaCl{sub 3}-YCl{sub 3}/Cd system, cyclic voltammograms and polarization curves were measured and the electrochemical properties of the system were discussed. From the results of the electro-depositions of U and rare earth metals on the LCC, separation factors and recovery ratios of U and REs were obtained and co-electro-depositions of U and REs were investigated. (authors)

  12. CE Solar | Open Energy Information

    Open Energy Info (EERE)

    Czech Republic Zip: 686 01 Product: Czech PV system integrator primarily building plants for Energy 21 in the Czech Republic. References: CE Solar1 This article is a stub....

  13. Lu.sub.1-xI.sub.3:Ce.sub.x--a scintillator for gamma ray spectroscopy and time-of-flight PET

    DOE Patents [OSTI]

    Shah, Kanai S.

    2007-02-06

    The present invention concerns very fast scintillator materials comprising lutetium iodide doped with Cerium (Lu.sub.1-xI.sub.3:Ce.sub.x; LuI.sub.3:Ce). The LuI.sub.3 scintillator material has surprisingly good characteristics including high light output, high gamma ray stopping efficiency, fast response, low cost, good proportionality, and minimal afterglow that the material is useful for gamma ray spectroscopy, medical imaging, nuclear and high energy physics research, diffraction, non-destructive testing, nuclear treaty verification and safeguards, and geological exploration. The timing resolution of the scintillators of the present invention provide compositions capable of resolving the position of an annihilation event within a portion of a human body cross-section.

  14. Investigation of the physical properties of the tetragonal CeMAl4Si2...

    Office of Scientific and Technical Information (OSTI)

    You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This ... The synthesis, crystal structure and physical properties studied by means of x-ray ...

  15. Powder preparation and UV absorption properties of selected compositions in the CeO{sub 2}-Y{sub 2}O{sub 3} system

    SciTech Connect (OSTI)

    Tessier, Franck Chevire, Francois; Munoz, Francisco; Merdrignac-Conanec, Odile; Marchand, Roger; Bouchard, Michel; Colbeau-Justin, Christophe

    2008-05-15

    Several approaches have been investigated to prepare fluorite-type compositions within the (1-x) CeO{sub 2}-xYO{sub 1.5} system. The optical properties of the resulting modified-ceria materials have been characterized in order to evaluate their potential abilities as inorganic UV absorbers. Diffuse reflectance analyses reveal a strong optical absorption between 390 and 400 nm for all substituted compositions and the spectral selectivities are estimated suitable for the targeted application. Additionally, time resolved microwave conductivity (TRMC) and phenol photodegradation analyses do not indicate any photocalatytic activity for these compositions. Aqueous colloidal suspensions of the Ce{sub 0.7}Y{sub 0.3}O{sub 1.85} UV absorber have been carried out. - Graphical abstract: Comparison between diffuse reflectance spectra of ceria (x=0) and yttrium modified ceria (x=0.3)

  16. Electronic structure of the heavy-fermion caged compound Ce3Pd20X6(X=Si,Ge) studied by density functional theory and photoelectron spectroscopy

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

    Yamaoka, Hitoshi; Schwier, Eike F.; Arita, Masashi; Shimada, Kenya; Tsujii, Naohito; Jarrige, Ignace; Jiang, Jian; Hayashi, Hirokazu; Iwasawa, Hideaki; Namatame, Hirofumi; et al

    2015-03-30

    The electronic structure of Ce₃Pd₂₀X₆ (X = Si, Ge) has been studied using detailed density functional theory (DFT) calculations and high-resolution photoelectron spectroscopy (PES) measurements. The orbital decomposition of the electronic structure by DFT calculations indicates that Ce atoms at the (8c) site surrounded by 16 Pd atoms have a more localized nature and a tendency to be magnetic. Ce atoms in the (4a) site surrounded by 12 Pd and 6 X atoms, on the other, show only a negligible magnetic moment. In the photoemission valence-band spectra we observe a strong f⁰ (Ce⁴⁺) component with a small fraction of f¹more » (Ce³⁺) component. The spectral weight of f¹ component near the Fermi level Ce₃Pd₂₀Si₆ is stronger than that for Ce₃Pd₂₀Ge₆ at the 4d-4f resonance, suggesting stronger c-f hybridization in the former. This may hint to the origin of the large electronic specific coefficient of Ce₃Pd₂₀Si₆ compared to Ce₃Pd₂₀Ge₆.« less

  17. Commissioning of the 112 MHz SRF Gun and 500 MHz bunching cavities for the CeC PoP Linac

    SciTech Connect (OSTI)

    Belomestnykh, S.; Ben-Zvi, I.; Brutus, J. C.; Litvinenko, V.; McIntosh, P.; Moss, A.; Narayan, G.; Orfin, P.; Pinayev, I.; Rao, T.; Skaritka, J.; Smith, K.; Than, R.; Tuozzolo, J.; Wang, E.; Wheelhouse, A.; Wu, Q.; Xiao, B.; Xin, T.; Xu, W.; Zaltsman, A.

    2015-05-03

    The Coherent electron Cooling Proof-of-Principle (CeC PoP) experiment at BNL includes a short electron linac. During Phase 1, a 112 MHz superconducting RF photo-emission gun and two 500 MHz normal conducting bunching cavities were installed and are under commissioning. The paper describes the Phase1 linac layout and presents commissioning results for the cavities and associated RF, cryogenic and other sub-systems

  18. Momentum-space structure of quasielastic spin fluctuations in Ce3Pd20Si6

    SciTech Connect (OSTI)

    Portnichenko, P. Y.; Cameron, A. S.; Surmach, M. A.; Deen, Pascale P.; Paschen, S.; Prokofiev, A.; Mignot, Jean-Michel; Strydom, A. M.; Telling, Mark T. F.; Podlesnyak, Andrey A.; Inosov, D. S.

    2015-01-01

    Surrounded by heavy-fermion metals, Ce3Pd20Si6 is one of the heaviest-electron systems known to date. Here we used high-resolution neutron spectroscopy to observe low-energy magnetic scattering from a single crystal of this compound in the paramagnetic state. We investigated its temperature dependence and distribution in momentum space, which was not accessible in earlier measurements on polycrystalline samples. At low temperatures, a quasielastic magnetic response with a half-width Γ ≈ 0.1 meV persists with varying intensity all over the Brillouin zone. It forms a broad hump centered at the (111) scattering vector, surrounded by minima of intensity at (002), (220), and equivalent wave vectors. The momentum-space structure distinguishes this signal from a simple crystal-field excitation at 0.31 meV, suggested previously, and rather lets us ascribe it to short-range dynamical correlations between the neighboring Ce ions, mediated by the itinerant heavy f electrons via the Ruderman-Kittel-Kasuya-Yosida mechanism. With increasing temperature, the energy width of the signal follows the conventional T1/2 law, Γ(T)=Γ0+A√T. Lastly, the momentum-space symmetry of the quasielastic response suggests that it stems from the simple-cubic Ce sublattice occupying the 8c Wyckoff site, whereas the crystallographically inequivalent 4a site remains magnetically silent in this material.

  19. CO Oxidation mechanism on CeO2-supported Au nanoclusters

    SciTech Connect (OSTI)

    Kim H. Y.; Henkelman, G.

    2013-09-08

    To reveal the richer chemistry of CO oxidation by CeO2 supported Au Nanoclusters(NCs)/Nanoparticles, we design Au13 and Au12 supported on a flat and a stepped-CeO2 model (Au/CeO2) and study various kinds of CO oxidation mechanisms at the Au-CeO2 interface and the Au NC as well.

  20. Soft chemistry synthesis of high-crystalline orthogermanate CeGeO...

    Office of Scientific and Technical Information (OSTI)

    130 Meilong Road, Shanghai 200237 (China) Research Institute of Industrial Catalysis, School of Chemistry and Molecular Engineering, East China University of Science and ...

  1. Electronic Band Dispersion Of CeAg{sub 2}Ge{sub 2} Studied Using...

    Office of Scientific and Technical Information (OSTI)

    Manipal (India), 26-30 Dec 2010; Other Information: DOI: 10.10631.3606104; (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA) ...

  2. Proactive Design of n-Type (In, Ce) Filled Skutterudites Enabling

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

    American Tribal Governments (1994) | Department of Energy memorandum was sent to all heads of executive departments and agencies and appeared in the May 4, 1994 issue of the Federal Register. It was signed and released in conjunction with the historic meeting between the President and representatives of Tribal governments held at the White House on April 29, 1995. The White House Washington, DC April 29, 1994 MEMORANDUM FOR THE HEADS OF EXECUTIVE DEPARTMENTS AND AGENCIES SUBJECT:

  3. Thickness dependence of hydrogen permeability for Ni-BaCe{sub...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Thickness dependence of hydrogen permeability for Ni-BaCesub 0.8Ysub 0.2Osub 3-delta. Citation Details In-Document Search Title: Thickness dependence of ...

  4. Hyperfine field and magnetic structure in the B phase of CeCoIn5...

    Office of Scientific and Technical Information (OSTI)

    Authors: Graf, Matthias J 1 ; Curro, Nicholas J 2 ; Young, Ben - Li 3 ; Urbano, Ricardo R 4 + Show Author Affiliations Los Alamos National Laboratory UNIV OF CAL NATIONAL ...

  5. Surface-structure sensitivity of CeO2 nanocrystals in photocatalysis...

    Office of Scientific and Technical Information (OSTI)

    heterogeneous (photo)catalysis. In this study, using aberration-corrected scanning transmission electron microscopy (STEM), the atomic surface structures of well-defined...

  6. Neutron Scattering of CeNi at the Spallation Neutron Source at...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

  7. Structure and magnetic properties of Ce?(Ni/Al/Ga)??-A...

    Office of Scientific and Technical Information (OSTI)

    Z 2) with a 436.38(14), b 1004.5(3) and c 1293.4(4) pm. This is a standardized unit cell of the previously published LaAl structure type. Wavelength dispersive...

  8. Materials Data on CeOF (SG:216) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Neutron Scattering of CeNi at the SNS-ORNL: A Preliminary Report...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

  10. Magnetic properties of bulk, and rapidly solidified nanostructured (Nd1-xCex)2Fe14-yCoyB ribbons

    SciTech Connect (OSTI)

    Pathak, Arjun K.; Khan, M.; Gschneidner, Jr., K. A.; McCallum, R. W.; Zhou, L.; Sun, K.; Kramer, M. J.; Pecharsky, V. K.

    2015-11-06

    Magnetic properties of Ce and Co co-doped (Nd1-xCex)2Fe14-yCoyB compounds have been investigated both in bulk polycrystalline and rapidly solidified nanostructured ribbon forms. For certain Ce concentrations the materials exhibit spin re-orientation transitions below 140 K. The Curie temperatures, saturation magnetizations, and other magnetic properties relevant for applications as permanent magnets are controlled by Ce and Co substitutions for Nd and Fe, respectively. Most importantly, the results show that Ce, Co co-doped compounds are excellent replacements for several Dy-based high performance permanent magnets (dysprosium is one of the critical elements and is, therefore, in short supply). As a result, the high temperature (>375 K) magnetic properties for Nd–Ce–Fe–Co–B based alloys show promise not only as a replacement for Dy-doped Nd2Fe14B permanent magnets, but the new alloys also require significantly lower amounts of Nd, which too is the critical element that can be replaced by a more abundant Ce.

  11. Role of Ce4+ in the scintillation mechanism of codoped Gd3Ga3Al2O12:Ce

    SciTech Connect (OSTI)

    Wu, Yuntao; Meng, Fang; Li, Qi; Koschan, Merry; Melcher, Charles L.

    2014-10-17

    To control the time-response performance of widely used cerium-activated scintillators in cutting-edge medical-imaging devices, such as time-of-flight positron-emission tomography, a comprehensive understanding of the role of Ce valence states, especially stable Ce4+, in the scintillation mechanism is essential. However, despite some progress made recently, an understanding of the physical processes involving Ce4+ is still lacking. The aim of this work is to clarify the role of Ce4+ in scintillators by studying Ca2+ codoped Gd3Ga3Al2O12?Ce?(GGAG?Ce). By using a combination of optical absorption spectra and x-ray absorption near-edge spectroscopies, the correlation between Ca2+codoping content and the Ce4+ fraction is seen. The energy-level diagrams of Ce3+ and Ce4+ in the Gd3Ga3Al2O12 host are established by using theoretical and experimental methods, which indicate a higher position of the 5d1 state of Ce4+ in the forbidden gap in comparison to that of Ce3+. Underlying reasons for the decay-time acceleration resulting from Ca2+ codoping are revealed, and the physical processes of the Ce4+-emission model are proposed and further demonstrated by temperature-dependent radioluminescence spectra under x-ray excitation.

  12. Hierarchical Heterogeneity at the CeO x –TiO 2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures

    SciTech Connect (OSTI)

    Luo, Si; Nguyen-Phan, Thuy-Duong; Johnston-Peck, Aaron C.; Barrio, Laura; Sallis, Shawn; Arena, Dario A.; Kundu, Shankhamala; Xu, Wenqian; Piper, Louis F. J.; Stach, Eric A.; Polyanskiy, Dmitry E.; Fujita, Etsuko; Rodriguez, José A.; Senanayake, Sanjaya D.

    2015-01-13

    Mixed oxide interfaces are critical for delivering active components of demanding catalytic processes such as the photo-catalytic splitting of water. We have studied CeOxTiO₂ catalysts with low ceria loadings of 1 wt%, 3 wt% and 6 wt% that were prepared with wet impregnation methods to favor a strong interaction between CeOx and TiO₂. In these materials the interfaces between CeOx-TiO₂ have been sequentially loaded (1%, 3% and 6%), with and without Pt (0.5 wt%). The structure and properties of the catalysts were characterized using several X-ray and electron based techniques including XRD, XPS, UPS, NEXAFS, UV-Vis and HR-STEM/STEM-EELS, to unravel the local morphology, bulk structure, surface states and electronic structure. The combination of all these techniques allow us to analyze in a systematic way the complete structural and electronic properties that prevail at the CeOx-TiO₂ interface. Fluorite structured nano crystallites of ceria on anatase-structured titania were identified by both XRD and NEXAFS. A sequential increasing of the CeOx loading led to the formation of clusters, then plates and finally nano particles in a hierarchical manner on the TiO₂ support. The electronic structures of these catalysts indicate that the interaction between TiO₂ and CeO₂ is closely related to the local morphology of nanostructured CeO₂. Ce³⁺ cations were detected at the surface of CeO₂ and at the interface of the two oxides. In addition, the titania is perturbed by the interaction with ceria and also with Pt. The photocatalytic activity for the splitting of H₂O using UV light was measured for these materials and correlated with our understanding of the electronic and structural properties. Optimal catalytic performance and photo response results were found for the 1 wt% CeOx-TiO₂ catalyst where low dimensional geometry of the ceria provided ideal electronic and geometrical properties

  13. Hierarchical Heterogeneity at the CeO x TiO 2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures

    SciTech Connect (OSTI)

    Luo, Si; Nguyen-Phan, Thuy-Duong; Johnston-Peck, Aaron C.; Barrio, Laura; Sallis, Shawn; Arena, Dario A.; Kundu, Shankhamala; Xu, Wenqian; Piper, Louis F. J.; Stach, Eric A.; Polyanskiy, Dmitry E.; Fujita, Etsuko; Rodriguez, Jos A.; Senanayake, Sanjaya D.

    2015-01-13

    Mixed oxide interfaces are critical for delivering active components of demanding catalytic processes such as the photo-catalytic splitting of water. We have studied CeOxTiO? catalysts with low ceria loadings of 1 wt%, 3 wt% and 6 wt% that were prepared with wet impregnation methods to favor a strong interaction between CeOx and TiO?. In these materials the interfaces between CeOx-TiO? have been sequentially loaded (1%, 3% and 6%), with and without Pt (0.5 wt%). The structure and properties of the catalysts were characterized using several X-ray and electron based techniques including XRD, XPS, UPS, NEXAFS, UV-Vis and HR-STEM/STEM-EELS, to unravel the local morphology, bulk structure, surface states and electronic structure. The combination of all these techniques allow us to analyze in a systematic way the complete structural and electronic properties that prevail at the CeOx-TiO? interface. Fluorite structured nano crystallites of ceria on anatase-structured titania were identified by both XRD and NEXAFS. A sequential increasing of the CeOx loading led to the formation of clusters, then plates and finally nano particles in a hierarchical manner on the TiO? support. The electronic structures of these catalysts indicate that the interaction between TiO? and CeO? is closely related to the local morphology of nanostructured CeO?. Ce? cations were detected at the surface of CeO? and at the interface of the two oxides. In addition, the titania is perturbed by the interaction with ceria and also with Pt. The photocatalytic activity for the splitting of H?O using UV light was measured for these materials and correlated with our understanding of the electronic and structural properties. Optimal catalytic performance and photo response results were found for the 1 wt% CeOx-TiO? catalyst where low dimensional geometry of the ceria provided ideal electronic and geometrical properties. The structural and

  14. Comparison of computer codes (CE-THERM, FRAP-T5, GT3-FLECHT, and TRUMP-FLECHT) with data from the NRU-LOCA thermal hydraulic tests

    SciTech Connect (OSTI)

    Mohr, C.L.; Rausch, W.N.; Hesson, G.M.

    1981-07-01

    The LOCA Simulation Program in the NRU reactor is the first set of experiments to provide data on the behavior of full-length, nuclear-heated PWR fuel bundles during the heatup, reflood, and quench phases of a loss-of-coolant accident (LOCA). This paper compares the temperature time histories of 4 experimental test cases with 4 computer codes: CE-THERM, FRAP-T5, GT3-FLECHT, and TRUMP-FLECHT. The preliminary comparisons between prediction and experiment show that the state-of-the art fuel codes have large uncertainties and are not necessarily conservative in predicting peak temperatures, turn around times, and bundle quench times.

  15. Neutron diffraction study of magnetic field induced behavior in the heavy Fermion Ce3Co4Sn13

    SciTech Connect (OSTI)

    Christianson, Andrew D; Goremychkin, E. A.; Gardner, J. S.; Kang, H. J.; Chung, J.-H.; Manuel, P.; Thompson, J. D.; Sarrao, J. L.; Lawrence, J. M.

    2008-01-01

    The specific heat of Ce3Co4Sn13 exhibits a crossover from heavy Fermion behavior with antiferromagnetic correlations at low field to single impurity Kondo behavior above 2 T. We have performed neutron diffraction measurements in magnetic fields up to 6 Tesla on single crystal samples. The (001) position shows a dramatic increase in intensity in field which appears to arise from static polarization of the 4f level and which at 0.14 K also exhibits an anomaly near 2T reflecting the crossover to single impurity behavior.

  16. Synthesis and crystal structure of the isotypic rare earth thioborates Ce[BS{sub 3}], Pr[BS{sub 3}], and Nd[BS{sub 3}

    SciTech Connect (OSTI)

    Hunger, Jens; Borna, Marija [Max Planck Institute for Chemical Physics of Solids, Noethnitzer Strasse 40, D-01187 Dresden (Germany); Kniep, Ruediger, E-mail: kniep@cpfs.mpg.d [Max Planck Institute for Chemical Physics of Solids, Noethnitzer Strasse 40, D-01187 Dresden (Germany)

    2010-03-15

    The orthothioborates Ce[BS{sub 3}], Pr[BS{sub 3}] and Nd[BS{sub 3}] were prepared from mixtures of the rare earth (RE) metals together with amorphous boron and sulfur summing up to the compositions CeB{sub 3}S{sub 6}, PrB{sub 5}S{sub 9} and NdB{sub 3}S{sub 6}. The following preparation routes were used: solid state reactions with maximum temperatures of 1323 K and high-pressure high-temperature syntheses at 1173 K and 3 GPa. Pr[BS{sub 3}] and Nd[BS{sub 3}] were also obtained from rare earth chlorides RECl{sub 3} and sodium thioborate Na{sub 2}B{sub 2}S{sub 5} by metathesis type reactions at maximum temperatures of 1073 K. The crystal structure of the title compounds was determined from X-ray powder diffraction data. The thioborates are isotypic and crystallize in the orthorhombic spacegroup Pna2{sub 1} (No. 33; Z=4; Ce: a=7.60738(6)A, b=6.01720(4)A, c=8.93016(6)A; Pr: a=7.56223(4)A, b=6.00876(2)A, c=8.89747(4)A; Nd: a=7.49180(3)A, b=6.00823(2)A, c=8.86197(3)A) . The crystal structures contain isolated [BS{sub 3}]{sup 3-} groups with boron in trigonal-planar coordination. The sulfur atoms form the vertices of undulated kagome nets, which are stacked along [100] according to the sequence ABAB. Within these nets every second triangle is occupied by boron and the large hexagons are centered by rare earth ions, which are surrounded by overall nine sulfur species. - Abstract: Graphical Abstract Legend (TOC Figure): Table of Contents Figure The isotypic orthothioborates Ce[BS{sub 3}], Pr[BS{sub 3}] and Nd[BS{sub 3}] were prepared using different preparation routes. The crystal structure of the title compounds was determined from X-ray powder diffraction data. The crystal structures contain isolated [BS{sub 3}]{sup 3-} groups with boron in trigonal-planar coordination. The sulfur atoms form the vertices of corrugated kagome nets (sketched with blue dotted lines), which are stacked along [100] according to the sequence ABAB. Within these nets every second triangle is

  17. Ca2+-Doped CeBr3 Scintillating Materials

    SciTech Connect (OSTI)

    Guss, Paul; Foster, Michael E.; Wong, Bryan M.; Doty, F. Patrick; Shah, Kanai; Squillante, Michael R.; Shirwadkar, Urmila; Hawrami, Rastgo; Tower, Josh; Yuan, Ding

    2014-01-21

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was used as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were studied using the density functional theory within the generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  18. Effect of Tb{sup 3+} concentration on the optical and vibrational properties of YBO{sub 3} tri-doped with Eu{sup 3+}, Ce{sup 3+}, and Tb{sup 3+}

    SciTech Connect (OSTI)

    Sohal, S.; Hassanzadeh, E.; Huang, J. Y. [Department of Physics, Texas Tech University and Nano Tech Center, Lubbock, Texas 79409 (United States); Nazari, M.; Holtz, M., E-mail: mark.holtz@txstate.edu [Department of Physics, Texas State University, San Marcos, Texas 78666 (United States); Zhang, X.; Chaudhuri, J. [Department of Mechanical Engineering, Texas Tech University, Lubbock, Texas 79409 (United States); Kuryatkov, V. V. [Department of Electrical and Computer Engineering and Nano Tech Center, Texas Tech University, Lubbock, Texas 79409 (United States); Hope-Weeks, L. J. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409 (United States)

    2014-05-14

    Structural and optical studies are reported of yttrium orthoborate YBO{sub 3} when tri-doped with Eu{sup 3+}, Ce{sup 3+}, and Tb{sup 3+}, focusing on the role of terbium concentration. Incorporation of Tb{sup 3+} affects emission properties for photoluminescence (PL) excited by near ultraviolet light. For constant cerium and europium concentrations, increasing the Tb{sup 3+} results in diminished PL from the Ce{sup 3+} and Tb{sup 3+} color centers. Simultaneously, the PL excitation bands related to both Ce{sup 3+} and Tb{sup 3+} increase in intensity for red emission from the Eu{sup 3+}. Results are consistent with a Ce{sup 3+}???(Tb{sup 3+}){sub n}???Eu{sup 3+} energy transfer scheme, where (Tb{sup 3+}){sub n} denotes a chain incorporating n terbium ions. A high red to orange PL intensity ratio is obtained, ranging from 1.34 to 2.09. Raman vibrational bands show a systematic change, with Tb{sup 3+} concentration, in the B{sub 3}O{sub 9} ring terminal oxygen bending mode coordinated with the yttrium site where dopant ions substitute. The structural changes are interpreted as variations in the local neighborhood of these sites in the YBO{sub 3}:Ce{sup 3+},Tb{sup 3+},Eu{sup 3+} crystal structure.

  19. Inverse CeO2/CuO Catalyst as an Alternative to Classical Direct Configurations for Preferential Oxidation of CO in Rich Hydrogen Stream

    SciTech Connect (OSTI)

    Hornes, A.; Hungri, A; Bera, P; Lopez Camara, A; Fernandez-Garcia, M; Martinez-Arias, A; Barrio, L; Estrella, M; Zhou, G; et. al.

    2010-01-01

    A novel inverse CeO{sub 2}/CuO catalyst for preferential oxidation of CO in H{sub 2}-rich stream (CO-PROX) has been developed on the basis of a hypothesis extracted from previous work of the group (JACS 2007, 129, 12064). Possible separation of the two competing oxidation reactions involved in the process (of CO and H{sub 2}, respectively) is the key to modulation of overall CO-PROX activity and is based on involvement of different sites as most active ones for each of the two reactions. Achievement of large size CuO particles and adequate CeO{sub 2}-CuO interfacial configurations in the inverse catalyst apparently allows appreciable enhancement of the catalytic properties of this kind of system for CO-PROX, constituting an interesting alternative to classic direct configurations so far explored for this process. Reasons for such behavior are analyzed on the basis of operando-XRD, -XAFS, and -DRIFTS studies.

  20. Inverse CeO2/CuO Catalyst as an Alternative to Classical Direct Configurations for Preferential Oxidation of CO in Hydrogen-Rich Stream

    SciTech Connect (OSTI)

    Rodriguez, J.A.; Hornes, A.; Hungría, A.B.; Bera, P.; Camara, A.L.; Fernandez-Garcia, M.; Martinez-Arias, A.; Barrio, L.; Estrella, M.; Zhou, G.; Fonseca, J.J.; Hanson, J.C.

    2010-01-13

    A novel inverse CeO{sub 2}/CuO catalyst for preferential oxidation of CO in H{sub 2}-rich stream (CO-PROX) has been developed on the basis of a hypothesis extracted from previous work of the group (JACS 2007, 129, 12064). Possible separation of the two competing oxidation reactions involved in the process (of CO and H{sub 2}, respectively) is the key to modulation of overall CO-PROX activity and is based on involvement of different sites as most active ones for each of the two reactions. Achievement of large size CuO particles and adequate CeO{sub 2}-CuO interfacial configurations in the inverse catalyst apparently allows appreciable enhancement of the catalytic properties of this kind of system for CO-PROX, constituting an interesting alternative to classic direct configurations so far explored for this process. Reasons for such behavior are analyzed on the basis of operando-XRD, -XAFS, and -DRIFTS studies.

  1. Structural and magnetic properties of La{sub 1−x}Ce{sub x}Fe{sub 1−x}Cr{sub x}O{sub 3} orthoferrite prepared by co-precipitation method

    SciTech Connect (OSTI)

    Azab, A.A.; Helmy, N.; Albaaj, Sukrat

    2015-06-15

    Graphical abstract: TEM micrographs of La{sub 1−x}Ce{sub x}Fe{sub 1−x}Cr{sub x}O{sub 3} for x = 0.0. - Highlights: • The composition of La{sub 1−x}Ce{sub x}Fe{sub 1−x} Cr{sub x}O{sub 3} was prepared by co-precipitation method. • X-ray diffraction showed orthorhombic structure with space group Pnma. • With increasing Ce and Cr content, a decrease of the unit cell volume. • Enhancement in the coercivity (H{sub c}) with increasing Ce and Cr content. • Reduction of M{sub s} and M{sub r} up to x = 0.15 and increases with further increases of x. - Abstract: Nanocrystalline orthoferrites with the composition of La{sub 1−x}Ce{sub x}Fe{sub 1−x} Cr{sub x}O{sub 3} where (x = 0, 0.1, 0.15 and 0.2) were prepared by co-precipitation method. The structural and magnetic properties of the La{sub 1−x}Ce{sub x}Fe{sub 1−x}Cr{sub x}O{sub 3} system have been investigated. X-ray diffraction showed the formation of orthorhombic structure with space group Pnma for different compositions. With increasing Ce and Cr content, lattice parameters a and c were found to decrease while b increases, resulting in a decrease of the unit cell volume. The crystallite size was calculated from XRD data and compared with that obtained from TEM micrographs. Vibrating sample magnetometer measurements reveal an enhancement in the coercivity (H{sub c}) with increasing Ce and Cr content and reduction of saturation magnetization (M{sub s}) and remnant magnetization (M{sub r}) up to x = 0.15 and increases with further increases of x. The magnetic susceptibility measurements vs. temperature showed canted-antiferromagnetic (AFM) in which the Neel temperature is increasing with Ce and Cr content.

  2. Study of the thermodynamic properties of CeO{sub 2} from ab initio calculations: The effect of phonon-phonon interaction

    SciTech Connect (OSTI)

    Niu, Zhen-Wei; Zeng, Zhao-Yi; Hu, Cui-E; Cai, Ling-Cang; Chen, Xiang-Rong

    2015-01-07

    The thermodynamic properties of CeO{sub 2} have been reevaluated by a simple but accurate scheme. All our calculations are based on the self-consistent ab initio lattice dynamical (SCAILD) method that goes beyond the quasiharmonic approximation. Through this method, the effects of phonon-phonon interactions are included. The obtained thermodynamic properties and phonon dispersion relations are in good agreement with experimental data when considering the correction of phonon-phonon interaction. We find that the correction of phonon-phonon interaction is equally important and should not be neglected. At last, by comparing with quasiharmonic approximation, the present scheme based on SCAILD method is probably more suitable for high temperature systems.

  3. Luminescence of Ce 3+ -Doped MB2Si2O8 (M = Sr, Ba): A Deeper Insight into the Effects of Electronic Structure and Stokes Shift

    SciTech Connect (OSTI)

    Peng, Qi; Liu, Chunmeng; Hou, Dejian; Zhou, Weijie; Ma, Chong-Geng; Liu, Guokui; Brik, Mikhail G.; Tao, Ye; Liang, Hongbin

    2015-12-18

    A series of Sr 1 -2x CexNaxB2Si2O8 and Ba 1-2x CexKxB2Si2O8 (x = 0.005, 0.01, 0.02, 0.04, 0.06, 0.08) samples were synthesized by a high-temperature solid-state reaction. The low temperature excitation, emission, and fluorescence decay spectra together demonstrated that all spectral bands arise from the Ce 3+ ions located at only one kind of lattice site. The first-principles calculations of the structural and electronic properties of pure and Ce 3+2Si2O8 (M = Sr, Ba) were performed, and the obtained results were used for understanding the structural changes after doping and identification of the observed position of the host absorption bands. The measured 4f-5d excitation and emission spectra of Ce3+ ions doped in MB2Si2O8 were analyzed and simulated in the framework of the crystal-field (CF) theory. The electron-phonon coupling effect generally ignored in most studies published so far was also taken into account by applying the configurational coordinate model. The validity of such a combined insight into the 5d CF energy level positions and the Stokes shift has been confirmed by analyzing the dependence of the Ce 3+of temperature on the luminescent properties of the studied samples was also explored and is discussed.

  4. Effect of microstructure on the high temperature mechanical properties of (CeO{sub 2}){sub 0.8}(GdO{sub 1.5}){sub 0.2} electrolytes

    SciTech Connect (OSTI)

    Sammes, N.M.; Zhang, Y.

    1996-12-31

    CeO{sub 2}-based oxides have recently been shown to have great potential as electrolytes in medium temperature solid oxide fuel cell applications, primarily due to their high ionic conductivity. Steele et al., for example, have examined a cell of the type: O{sub 2}, La{sub 0.6}Sr{sub 0.4}Fe{sub 0.8}Co{sub 0.2}O{sub 3}{vert_bar}Ce{sub 0.9}Gd{sub 0.1}O{sub 1.95}{vert_bar}Ni-ZrO{sub 2}, H{sub 2}/H{sub 2}O at 715{degrees}C. Gd{sub 2}O{sub 3} doped CeO{sub 2} has been reported as having one of the highest oxygen ion conductivities of the ceria-based materials. An ionic conductivity of 8.3 x 10{sup -2} s/cm has been reported for (CeO{sub 2}){sub 0.8}(GdO{sub 1.5}){sub 0.2} at 800{degrees}C, which is approximately four times that of Y{sub 2}O{sub 3}-doped ZrO{sub 2}, at the same temperature. Although the electrical properties of the material have been examined in detail, very little work has considered the microstructural/property relationships, particularly in relation to the mechanical properties. It is well know that CeO{sub 2}-based materials are difficult to density and attempts have been performed to examine this. Preliminary studies have also been undertaken to examine the effect of sintering on the mechanical properties of the material. In this paper we examine the effect of microstructure on the high temperature mechanical properties of (CeO{sub 2}){sub 0.8}(GdO{sub 1.5}){sub 0.2}.

  5. Lattice Disorder and Size-Induced Kondo Behavior in CeAl{sub 2} and CePt{sub 2+x}

    SciTech Connect (OSTI)

    Han, S.-W.; Booth, C. H.; Bauer, E. D.; Huang, P. H.; Chen, Y. Y.; Lawrence, J. M.

    2006-09-01

    When the size of CeAl{sub 2} and CePt{sub 2+x} particles is reduced to the nanometer scale, antiferromagnetism is suppressed and Kondo behavior predominates, with the Kondo temperature T{sub K} either decreasing (CeAl{sub 2}) or increasing (CePt{sub 2+x}) relative to the bulk. Local structure measurements show that these nanoparticles are significantly distorted. While such distortions should strongly affect magnetic and electronic properties, we find they cannot explain the observed changes in T{sub K}. Other size-induced changes to the electronic structure must, therefore, play a significant role.

  6. Influence of the Electronic Structure and Optical Properties of CeO2 and UO2 for Characterization with UV-Laser Assisted Atom Probe Tomography

    SciTech Connect (OSTI)

    Billy Valderrama; H.B. Henderson; C. Yablinsky; J. Gan; T.R. Allen; M.V. Manuel

    2015-09-01

    Oxide materials are used in numerous applications such as thermal barrier coatings, nuclear fuels, and electrical conductors and sensors, all applications where nanometer-scale stoichiometric changes can affect functional properties. Atom probe tomography can be used to characterize the precise chemical distribution of individual species and spatially quantify the oxygen to metal ratio at the nanometer scale. However, atom probe analysis of oxides can be accompanied by measurement artifacts caused by laser-material interactions. In this investigation, two technologically relevant oxide materials with the same crystal structure and an anion to cation ratio of 2.00, pure cerium oxide (CeO2) and uranium oxide (UO2) are studied. It was determined that electronic structure, optical properties, heat transfer properties, and oxide stability strongly affect their evaporation behavior, thus altering their measured stoichiometry, with thermal conductance and thermodynamic stability being strong factors.

  7. Sub-nanosecond Half-life Measurement of the Yrast I{sup π}=5{sup −} State in the N=78 Nucleus {sup 136}{sub 58}Ce using Fast-timing Coincident Gamma-ray Spectroscopy

    SciTech Connect (OSTI)

    Alharbi, T.; Regan, P.H.; Mărginean, N.; Podolyák, Zs.; Bajoga, A.; Britton, R.; Bucurescu, D.; Deleanu, D.; Filipescu, D.; Ghită, D.; Glodariu, T.; Mihai, C.; Mulholland, K.; Mărginean, R.; Negret, A.; Nita, C.R.; Patel, Z.; Roberts, O.J.; Stroe, L.; Sava, T.; and others

    2014-06-15

    We report on the measurement of the half-life of the yrast I{sup π}=5{sup −} state in the transitional nucleus {sup 136}Ce using a combined HPGe-LaBr3(Ce) scintillator gamma-ray detection array. The measured value for the E1 decay is approximately half a nanosecond, which corresponds to an E1 decay strength of approximately 2×10{sup −6} Wu. This value is in line with single-particle type E1 decays in this mass region and suggests no sign of additional K-hindrance associated with axially symmetric quadrupole deformations observed for lighter cerium isotopes.

  8. Electronic structure of Ce?RhIn?: A two-dimensional heavy-fermion system studied by angle-resolved photoemission spectroscopy

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

    Jiang, Rui; Petrovic, C.; Mou, Daixing; Liu, Chang; Zhao, Xin; Yao, Yongxin; Ryu, Hyejin; Ho, Kai -Ming; Kaminski, Adam

    2015-04-01

    We use angle-resolved photoemission spectroscopy (ARPES) to study the 2D heavy fermion superconductor, Ce?RhIn?. The Fermi surface is rather complicated and consists of several hole and electron pockets with one of the sheets displaying strong nesting properties with a q-vector of (0.32, 0.32) ?/a. We do not observe kz dispersion of the Fermi sheets, which is consistent with the expected 2D character of the electronic structure. Comparison of the ARPES data to band structure calculations suggests that a localized picture of the f-electrons works best. While there is some agreement in the overall band dispersion and location of the Fermimoresheets, the model does not reproduce all observed bands and is not completely accurate for those it does. Our data paves the way for improving the band structure calculations and the general understanding of the transport and thermodynamical properties of this material.less

  9. 15N2 formation and fast oxygen isotope exchange during pulsed 15N18O exposure of MnOx/CeO2

    SciTech Connect (OSTI)

    Kwak, Ja Hun; Szanyi, Janos

    2014-12-23

    Pulsing 15N18O onto an annealed 1% Mn16Ox/Ce16O2 catalyst resulted in very fast oxygen isotope exchange and 15N2 formation at 295 K. In the 1st 15N18O pulse, due to the presence of large number of surface oxygen defects, extensive 15N218O and 15N2 formations were observed. In subsequent pulses oxygen isotope exchange dominated as a result of highly labile oxygen in the oxide. We gratefully acknowledge the US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy/Vehicle Technologies Program for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOEs Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.

  10. Energy efficient microwave synthesis of mesoporous Ce0.5M0.5O2 (Ti, Zr, Hf) nanoparticles for low temperature CO oxidation in an ionic liquid – a comparative study

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

    Alammar, Tarek; Chow, Ying -Kit; Mudring, Anja -Verena

    2014-11-19

    Ce0.5M0.5O2 (M = Ti, Zr, Hf) nanoparticles have been successfully synthesized by microwave irradiation in the ionic liquid [C4mim][Tf2N] (1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide). The morphology, crystallinity, and chemical composition of the obtained materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and N2–adsorption measurements. XRD and Raman spectroscopy analyses confirmed the formation of solid solutions with cubic fluorite structure. The catalytic activities of the Ce0.5M0.5O2 (M = Ti, Zr, Hf) nanoparticles were investigated in the low-temperature oxidation of CO. Ce0.5Zr0.5O2 nanospheres exhibit the best performance (100% conversion at 350 °C), followed by Ce0.5Hf0.5O2more » (55% conversion at 360 °C) and Ce0.5Ti0.5O2 (11% conversion at 350 °C). Heating the as-prepared Ce0.5Zr0.5O2 to 600 °C for extended time leads to a decrease in surface area and, as expected decreased catalytic activity. Depending on the ionic liquid the obtained Ce0.5Zr0.5O2 exhibits different morphologies, varying from nano-spheres in [C4mim][Tf2N] and [P66614][Tf2N] (P66614 = trishexyltetradecylphosphonium) to sheet-like assemblies in [C3mimOH][Tf2N] (C3mimOH = 1-(3-hydroxypropyl)-3-methylimidazolium). As a result, the microwave synthesis superiority to other heating methods like sonochemical synthesis and conventional heating was proven by comparative experiments where the catalytic activity of Ce0.5Zr0.5O2 obtained by alternate methods such as conventional heating was found to be poorer than that of the microwave-synthesised material.« less