Covalency in oxidized uranium
Abstract
© 2015 American Physical Society. ©2015 American Physical Society. Using x-ray emission spectroscopy and absorption spectroscopy, it has been possible to directly access the states in the unoccupied conduction bands that are involved with 5f and 6d covalency in oxidized uranium. By varying the oxidizing agent, the degree of 5f covalency can be manipulated and monitored, clearly and irrevocably establishing the importance of 5f covalency in the electronic structure of the key nuclear fuel, uranium dioxide.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1234583
- Alternate Identifier(s):
- OSTI ID: 1204690; OSTI ID: 1512222
- Report Number(s):
- LLNL-JRNL-668327
Journal ID: ISSN 1098-0121; PRBMDO
- Grant/Contract Number:
- AC52-07NA27344; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 4; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Tobin, J. G., Yu, S. -W., Qiao, R., Yang, W. L., Booth, C. H., Shuh, D. K., Duffin, A. M., Sokaras, D., Nordlund, D., and Weng, T. -C. Covalency in oxidized uranium. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.92.045130.
Tobin, J. G., Yu, S. -W., Qiao, R., Yang, W. L., Booth, C. H., Shuh, D. K., Duffin, A. M., Sokaras, D., Nordlund, D., & Weng, T. -C. Covalency in oxidized uranium. United States. https://doi.org/10.1103/PhysRevB.92.045130
Tobin, J. G., Yu, S. -W., Qiao, R., Yang, W. L., Booth, C. H., Shuh, D. K., Duffin, A. M., Sokaras, D., Nordlund, D., and Weng, T. -C. Wed .
"Covalency in oxidized uranium". United States. https://doi.org/10.1103/PhysRevB.92.045130. https://www.osti.gov/servlets/purl/1234583.
@article{osti_1234583,
title = {Covalency in oxidized uranium},
author = {Tobin, J. G. and Yu, S. -W. and Qiao, R. and Yang, W. L. and Booth, C. H. and Shuh, D. K. and Duffin, A. M. and Sokaras, D. and Nordlund, D. and Weng, T. -C.},
abstractNote = {© 2015 American Physical Society. ©2015 American Physical Society. Using x-ray emission spectroscopy and absorption spectroscopy, it has been possible to directly access the states in the unoccupied conduction bands that are involved with 5f and 6d covalency in oxidized uranium. By varying the oxidizing agent, the degree of 5f covalency can be manipulated and monitored, clearly and irrevocably establishing the importance of 5f covalency in the electronic structure of the key nuclear fuel, uranium dioxide.},
doi = {10.1103/PhysRevB.92.045130},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 4,
volume = 92,
place = {United States},
year = {Wed Jul 01 00:00:00 EDT 2015},
month = {Wed Jul 01 00:00:00 EDT 2015}
}
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Works referenced in this record:
Introduction: Fluorine Chemistry
journal, August 2014
- Gouverneur, Veronique; Seppelt, Konrad
- Chemical Reviews, Vol. 115, Issue 2
A multichannel monolithic Ge detector system for fluorescence x‐ray absorption spectroscopy
journal, September 1996
- Bucher, J. J.; Allen, P. G.; Edelstein, N. M.
- Review of Scientific Instruments, Vol. 67, Issue 9
Electronic structure of solid uranium tetrafluoride
journal, July 2006
- Teterin, A. Yu.; Teterin, Yu. A.; Maslakov, K. I.
- Physical Review B, Vol. 74, Issue 4
Delocalization and occupancy effects of 5f orbitals in plutonium intermetallics using L3-edge resonant X-ray emission spectroscopy
journal, June 2014
- Booth, C. H.; Medling, S. A.; Jiang, Yu
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 194
EXAFS investigation of UF4
journal, March 2015
- Tobin, J. G.; Booth, C. H.; Siekhaus, W.
- Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 33, Issue 3
Uranium oxides investigated by X-ray absorption and emission spectroscopies
journal, May 2006
- Magnuson, M.; Butorin, S. M.; Werme, L.
- Applied Surface Science, Vol. 252, Issue 15
Element-specific magnetometry with photoelectron dichroism: FeCo and FeNi
journal, May 2001
- Tobin, J. G.; Schumann, F. O.
- Surface Science, Vol. 478, Issue 3
Nature of the Chemical Bond in Uranium Dioxide UO2
journal, May 2005
- Teterin, Yu. A.; Maslakov, K. I.; Ryzhkov, M. V.
- Radiochemistry, Vol. 47, Issue 3
Electronic structure and ionicity of actinide oxides from first principles
journal, January 2010
- Petit, L.; Svane, A.; Szotek, Z.
- Physical Review B, Vol. 81, Issue 4
Orbital Specificity in the Unoccupied States of from Resonant Inverse Photoelectron Spectroscopy
journal, October 2011
- Tobin, J. G.; Yu, S. -W.
- Physical Review Letters, Vol. 107, Issue 16
EXAFS: Basic Principles and Data Analysis
book, January 1986
- Teo, Boon K.
- Inorganic Chemistry Concepts
First experimental results from IBM/TENN/TULANE/LLNL/LBL undulator beamline at the advanced light source
journal, February 1995
- Jia, J. J.; Callcott, T. A.; Yurkas, J.
- Review of Scientific Instruments, Vol. 66, Issue 2
Parameter-free calculations of X-ray spectra with FEFF9
journal, January 2010
- Rehr, John J.; Kas, Joshua J.; Vila, Fernando D.
- Physical Chemistry Chemical Physics, Vol. 12, Issue 21
The apparent absence of chemical sensitivity in the 4d and 5d X-ray absorption spectroscopy of uranium compounds
journal, June 2014
- Tobin, J. G.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 194
Multi-electronic effects in uranium dioxide from X-ray Emission Spectroscopy
journal, April 2013
- Yu, S. -W.; Tobin, J. G.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 187
Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics
journal, June 2012
- Booth, C. H.; Jiang, Y.; Wang, D. L.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 26
Turning nuclear waste into glass
journal, February 2015
- Pegg, Ian L.
- Physics Today, Vol. 68, Issue 2
- origin of the insulating state in uranium dioxide: X-ray absorption experiments and first-principles calculations
journal, April 2011
- Yu, S. -W.; Tobin, J. G.; Crowhurst, J. C.
- Physical Review B, Vol. 83, Issue 16
A seven-crystal Johann-type hard x-ray spectrometer at the Stanford Synchrotron Radiation Lightsource
journal, May 2013
- Sokaras, D.; Weng, T. -C.; Nordlund, D.
- Review of Scientific Instruments, Vol. 84, Issue 5
X-ray photoelectron-spectroscopy study of oxides of the transuranium elements Np, Pu, Am, Cm, Bk, and Cf
journal, March 1977
- Veal, B. W.; Lam, D. J.; Diamond, H.
- Physical Review B, Vol. 15, Issue 6
Near-edge x-ray-absorption fine structure in uranium compounds
journal, February 1987
- Kalkowski, G.; Kaindl, G.; Brewer, W. D.
- Physical Review B, Vol. 35, Issue 6
Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory
journal, July 2007
- Prodan, Ionut D.; Scuseria, Gustavo E.; Martin, Richard L.
- Physical Review B, Vol. 76, Issue 3
Near-edge x-ray-absorption fine structure in uranium compounds
text, January 1987
- Kalkowski, G.; Kaindl, G.; Brewer, W. D.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Uranium oxides investigated by X-ray absorption and emission spectroscopies
text, January 2011
- Magnuson, M.; Butorin, S. M.; Werme, L.
- arXiv
Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics
text, January 2012
- Booth, C. H.; Jiang, Yu; Wang, D. L.
- arXiv
Works referencing / citing this record:
The nature of the chemical bond in UO 2
journal, August 2019
- Maslakov, Konstantin I.; Teterin, Yury A.; Ryzhkov, Mikhail V.
- International Journal of Quantum Chemistry, Vol. 119, Issue 24
Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework
journal, January 2020
- Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.
- Chemical Science, Vol. 11, Issue 18
Soft x-ray spectroscopy of high pressure liquid
journal, January 2018
- Qiao, Ruimin; Xia, Yujian; Feng, Xuefei
- Review of Scientific Instruments, Vol. 89, Issue 1
Nanoscale oxygen defect gradients in UO 2+ x surfaces
journal, August 2019
- Spurgeon, Steven R.; Sassi, Michel; Ophus, Colin
- Proceedings of the National Academy of Sciences, Vol. 116, Issue 35
Closure of the Mott gap and formation of a superthermal metal in the Fröhlich-type nonequilibrium polaron Bose-Einstein condensate in
journal, September 2017
- Conradson, Steven D.; Andersson, David A.; Boland, Kevin S.
- Physical Review B, Vol. 96, Issue 12