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Title: Decomposition Reactions of Anode Solid Electrolyte Interphase (SEI) Components with LiPF 6

Abstract

The anode solid electrolyte interface (SEI) on the anode of lithium ion batteries contains lithium carbonate (Li2CO3), lithium methyl carbonate (LMC), and lithium ethylene dicarbonate (LEDC). The development of a strong physical understanding of the properties of the SEI requires a strong understanding of the evolution of the SEI composition over extended timeframes. The thermal stability of Li2CO3, LMC, and LEDC in the presence of LiPF6 in dimethyl carbonate (DMC), a common salt and solvent, respectively, in lithium ion battery electrolytes, has been investigated to afford a better understanding of the evolution of the SEI. The residual solids from the reaction mixtures have been characterized by a combination of X-ray photoelectron spectroscopy (XPS) and infrared spectroscopy with attenuated total reflectance (IR-ATR), while the solution and evolved gases have been investigated by nuclear magnetic resonance (NMR) spectroscopy and gas chromatography with mass selective detection (GC-MS). The thermal decomposition of Li2CO3 and LiPF6 in DMC yields CO2, LiF, and F2PO2Li. The thermal decomposition of LMC and LEDC with LiPF6 in DMC results in the generation of a complicated mixture including CO2, LiF, ethers, phosphates, and fluorophosphates.

Authors:
 [1];  [1];  [1]; ORCiD logo [1]
  1. Department of Chemistry, University of Rhode Island, Kingston, Rhode Island 02881, United States
Publication Date:
Research Org.:
Univ. of Rhode Island, Kingston, RI (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1405196
Alternate Identifier(s):
OSTI ID: 1507999
Grant/Contract Number:  
DE?SC0007074; SC0007074
Resource Type:
Published Article
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Name: Journal of Physical Chemistry. C Journal Volume: 121 Journal Issue: 41; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Parimalam, Bharathy S., MacIntosh, Alex D., Kadam, Rahul, and Lucht, Brett L. Decomposition Reactions of Anode Solid Electrolyte Interphase (SEI) Components with LiPF 6. United States: N. p., 2017. Web. doi:10.1021/acs.jpcc.7b08433.
Parimalam, Bharathy S., MacIntosh, Alex D., Kadam, Rahul, & Lucht, Brett L. Decomposition Reactions of Anode Solid Electrolyte Interphase (SEI) Components with LiPF 6. United States. doi:https://doi.org/10.1021/acs.jpcc.7b08433
Parimalam, Bharathy S., MacIntosh, Alex D., Kadam, Rahul, and Lucht, Brett L. Mon . "Decomposition Reactions of Anode Solid Electrolyte Interphase (SEI) Components with LiPF 6". United States. doi:https://doi.org/10.1021/acs.jpcc.7b08433.
@article{osti_1405196,
title = {Decomposition Reactions of Anode Solid Electrolyte Interphase (SEI) Components with LiPF 6},
author = {Parimalam, Bharathy S. and MacIntosh, Alex D. and Kadam, Rahul and Lucht, Brett L.},
abstractNote = {The anode solid electrolyte interface (SEI) on the anode of lithium ion batteries contains lithium carbonate (Li2CO3), lithium methyl carbonate (LMC), and lithium ethylene dicarbonate (LEDC). The development of a strong physical understanding of the properties of the SEI requires a strong understanding of the evolution of the SEI composition over extended timeframes. The thermal stability of Li2CO3, LMC, and LEDC in the presence of LiPF6 in dimethyl carbonate (DMC), a common salt and solvent, respectively, in lithium ion battery electrolytes, has been investigated to afford a better understanding of the evolution of the SEI. The residual solids from the reaction mixtures have been characterized by a combination of X-ray photoelectron spectroscopy (XPS) and infrared spectroscopy with attenuated total reflectance (IR-ATR), while the solution and evolved gases have been investigated by nuclear magnetic resonance (NMR) spectroscopy and gas chromatography with mass selective detection (GC-MS). The thermal decomposition of Li2CO3 and LiPF6 in DMC yields CO2, LiF, and F2PO2Li. The thermal decomposition of LMC and LEDC with LiPF6 in DMC results in the generation of a complicated mixture including CO2, LiF, ethers, phosphates, and fluorophosphates.},
doi = {10.1021/acs.jpcc.7b08433},
journal = {Journal of Physical Chemistry. C},
number = 41,
volume = 121,
place = {United States},
year = {2017},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: https://doi.org/10.1021/acs.jpcc.7b08433

Citation Metrics:
Cited by: 12 works
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: 19F and 31P NMR spectra of sample (a) 0.65 M LiPF6/DMC, (b) Li2CO3 in 0.65 M LiPF6/DMC, (c) LMC in 0.65 M LiPF6/ DMC, and (d) LEDC in 0.65 M LiPF6/DMC s after 48 h of storage at 55 °C.

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