Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF4 and UO2
Abstract
There are some interesting discrepancies between what has been observed experimentally and the predictions of cluster theory. In particular, the F 1s x-ray absorption spectroscopy (XAS) of uranium tetrafluoride and the U 4d XAS branching ratio for oxidized uranium are two cases in point. These discrepancies may be driven by the overestimation of covalency in cluster calculations.
- Authors:
-
- University of Wisconsin-Oshkosh, Oshkosh, WI (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division
- OSTI Identifier:
- 1491660
- Alternate Identifier(s):
- OSTI ID: 1474190; OSTI ID: 1503655
- Report Number(s):
- LLNL-JRNL-756096
Journal ID: ISSN 0734-2101; 941934
- Grant/Contract Number:
- AC52-07NA27344; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Vacuum Science and Technology A
- Additional Journal Information:
- Journal Volume: 36; Journal Issue: 6; Journal ID: ISSN 0734-2101
- Publisher:
- American Vacuum Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Tobin, J. G., Yu, S. -W., Qiao, R., Yang, W. L., and Shuh, D. K. Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF4 and UO2. United States: N. p., 2018.
Web. doi:10.1116/1.5046947.
Tobin, J. G., Yu, S. -W., Qiao, R., Yang, W. L., & Shuh, D. K. Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF4 and UO2. United States. https://doi.org/10.1116/1.5046947
Tobin, J. G., Yu, S. -W., Qiao, R., Yang, W. L., and Shuh, D. K. Thu .
"Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF4 and UO2". United States. https://doi.org/10.1116/1.5046947. https://www.osti.gov/servlets/purl/1491660.
@article{osti_1491660,
title = {Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF4 and UO2},
author = {Tobin, J. G. and Yu, S. -W. and Qiao, R. and Yang, W. L. and Shuh, D. K.},
abstractNote = {There are some interesting discrepancies between what has been observed experimentally and the predictions of cluster theory. In particular, the F 1s x-ray absorption spectroscopy (XAS) of uranium tetrafluoride and the U 4d XAS branching ratio for oxidized uranium are two cases in point. These discrepancies may be driven by the overestimation of covalency in cluster calculations.},
doi = {10.1116/1.5046947},
journal = {Journal of Vacuum Science and Technology A},
number = 6,
volume = 36,
place = {United States},
year = {Thu Sep 27 00:00:00 EDT 2018},
month = {Thu Sep 27 00:00:00 EDT 2018}
}
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Works referencing / citing this record:
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