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Title: In situ X-ray diffraction analysis of (CF x) n batteries: signal extraction by multivariate analysis

Abstract

In this study, (CF x) n cathode reaction during discharge has been investigated using in situ X-ray diffraction (XRD). Mathematical treatment of the in situ XRD data set was performed using multivariate curve resolution with alternating least squares (MCR–ALS), a technique of multivariate analysis. MCR–ALS analysis successfully separated the relatively weak XRD signal intensity due to the chemical reaction from the other inert cell component signals. The resulting dynamic reaction component revealed the loss of (CF x) n cathode signal together with the simultaneous appearance of LiF by-product intensity. Careful examination of the XRD data set revealed an additional dynamic component which may be associated with the formation of an intermediate compound during the discharge process.

Authors:
 [1];  [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1426963
Report Number(s):
SAND-2007-1329J
Journal ID: ISSN 0021-8898; JACGAR; 526759
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Applied Crystallography
Additional Journal Information:
Journal Volume: 40; Journal Issue: 6; Journal ID: ISSN 0021-8898
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 25 ENERGY STORAGE; 36 MATERIALS SCIENCE; multivariate analysis; weak diffraction signals; dynamic reaction behaviour

Citation Formats

Rodriguez, Mark A., Keenan, Michael R., and Nagasubramanian, Ganesan. In situ X-ray diffraction analysis of (CFx)n batteries: signal extraction by multivariate analysis. United States: N. p., 2007. Web. doi:10.1107/S0021889807042045.
Rodriguez, Mark A., Keenan, Michael R., & Nagasubramanian, Ganesan. In situ X-ray diffraction analysis of (CFx)n batteries: signal extraction by multivariate analysis. United States. doi:10.1107/S0021889807042045.
Rodriguez, Mark A., Keenan, Michael R., and Nagasubramanian, Ganesan. Sat . "In situ X-ray diffraction analysis of (CFx)n batteries: signal extraction by multivariate analysis". United States. doi:10.1107/S0021889807042045. https://www.osti.gov/servlets/purl/1426963.
@article{osti_1426963,
title = {In situ X-ray diffraction analysis of (CFx)n batteries: signal extraction by multivariate analysis},
author = {Rodriguez, Mark A. and Keenan, Michael R. and Nagasubramanian, Ganesan},
abstractNote = {In this study, (CFx)n cathode reaction during discharge has been investigated using in situ X-ray diffraction (XRD). Mathematical treatment of the in situ XRD data set was performed using multivariate curve resolution with alternating least squares (MCR–ALS), a technique of multivariate analysis. MCR–ALS analysis successfully separated the relatively weak XRD signal intensity due to the chemical reaction from the other inert cell component signals. The resulting dynamic reaction component revealed the loss of (CFx)n cathode signal together with the simultaneous appearance of LiF by-product intensity. Careful examination of the XRD data set revealed an additional dynamic component which may be associated with the formation of an intermediate compound during the discharge process.},
doi = {10.1107/S0021889807042045},
journal = {Journal of Applied Crystallography},
number = 6,
volume = 40,
place = {United States},
year = {Sat Nov 10 00:00:00 EST 2007},
month = {Sat Nov 10 00:00:00 EST 2007}
}

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Cited by: 9 works
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