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Title: Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF 4 and UO 2

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. Lastly, these discrepancies may be driven by the overestimation of covalency in cluster calculations.

Authors:
 [1];  [2];  [3];  [3];  [3]
  1. University of Wisconsin-Oshkosh, Oshkosh, WI (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. 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) (SC-22). Chemical Sciences, Geosciences & 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, Vacuum, Surfaces and Films
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. doi: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. doi: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. Lastly, 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, Vacuum, Surfaces and Films},
number = 6,
volume = 36,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
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