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Title: Bis(trimethylsilyl) 2-fluoromalonate derivatives as electrolyte additives for high voltage lithium ion batteries

Abstract

Three trimethylsilyl based malonate esters, bis(trimethylsilyl) 2-methyl-2-fluoromalonate (BTMSMFM), bis(trimethylsilyl) 2-ethyl-2-fluoromalonate (BTMSEFM) and bis(trimethylsilyl) 2-propyl-2-fluoromalonate (BTMSPFM), have been used as additives in 1.0 M LiPF 6/ethylene carbonate (EC)-dimethyl carbonate (DMC)-diethyl carbonate (DEC) (1-1-1, by v) baseline electrolyte for LiNi 0.80Co 0.15Al 0.05O 2 (NCA) based high voltage lithium ion batteries. The NCA half-cells with 5 wt% BTMSMFM exhibit higher capacity retention than that in the baseline electrolyte at different upper cut off voltages, that is, 4.2, 4.3, 4.4 and 4.5 V vs. Li/Li +. Scanning electron microscope (SEM) show that the additive successfully prevents the formation of thick solid electrolyte interphase (SEI) films on the surface of the NCA electrodes. X-ray diffraction (XRD) further reveals that the crystal structure of NCA is also maintained in the electrolyte with 5 wt% BTMSMFM at high cut off voltages. Finally, besides beneficial to NCA cathode, the BTMSMFM additive also ensures better cycling performance of the graphite based half-cells and NCA/graphite full-cells, and thus is a promising additive for application in rechargeable lithium ion batteries.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [3]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States) Chemical Sciences Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States) Chemical Sciences Division; Univ. of Tennessee, Knoxville, TN (United States). Bredesen Center for Interdisciplinary Research and Graduate Education
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States) Chemical Sciences Division
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1488710
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Power Sources
Additional Journal Information:
Journal Volume: 412; Journal Issue: C; Journal ID: ISSN 0378-7753
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; bis(trimethylsilyl) 2-methyl-2-fluoromalonate (BTMSMFM); bis(trimethylsilyl) 2-ethyl-2-fluoromalonate (BTMSEFM); bis(trimethylsilyl) 2-propyl-2-fluoromalonate (BTMSPFM); AdditiveLiNi0.80Co0.15Al0.05O2 (NCA); Lithium ion batteries

Citation Formats

Lyu, Hailong, Li, Yunchao, Jafta, Charl J., Bridges, Craig A., Meyer, Harry M., Borisevich, Albina, Paranthaman, Mariappan Parans, Dai, Sheng, and Sun, Xiao-Guang. Bis(trimethylsilyl) 2-fluoromalonate derivatives as electrolyte additives for high voltage lithium ion batteries. United States: N. p., 2019. Web. doi:10.1016/j.jpowsour.2018.11.083.
Lyu, Hailong, Li, Yunchao, Jafta, Charl J., Bridges, Craig A., Meyer, Harry M., Borisevich, Albina, Paranthaman, Mariappan Parans, Dai, Sheng, & Sun, Xiao-Guang. Bis(trimethylsilyl) 2-fluoromalonate derivatives as electrolyte additives for high voltage lithium ion batteries. United States. doi:10.1016/j.jpowsour.2018.11.083.
Lyu, Hailong, Li, Yunchao, Jafta, Charl J., Bridges, Craig A., Meyer, Harry M., Borisevich, Albina, Paranthaman, Mariappan Parans, Dai, Sheng, and Sun, Xiao-Guang. Fri . "Bis(trimethylsilyl) 2-fluoromalonate derivatives as electrolyte additives for high voltage lithium ion batteries". United States. doi:10.1016/j.jpowsour.2018.11.083.
@article{osti_1488710,
title = {Bis(trimethylsilyl) 2-fluoromalonate derivatives as electrolyte additives for high voltage lithium ion batteries},
author = {Lyu, Hailong and Li, Yunchao and Jafta, Charl J. and Bridges, Craig A. and Meyer, Harry M. and Borisevich, Albina and Paranthaman, Mariappan Parans and Dai, Sheng and Sun, Xiao-Guang},
abstractNote = {Three trimethylsilyl based malonate esters, bis(trimethylsilyl) 2-methyl-2-fluoromalonate (BTMSMFM), bis(trimethylsilyl) 2-ethyl-2-fluoromalonate (BTMSEFM) and bis(trimethylsilyl) 2-propyl-2-fluoromalonate (BTMSPFM), have been used as additives in 1.0 M LiPF6/ethylene carbonate (EC)-dimethyl carbonate (DMC)-diethyl carbonate (DEC) (1-1-1, by v) baseline electrolyte for LiNi0.80Co0.15Al0.05O2 (NCA) based high voltage lithium ion batteries. The NCA half-cells with 5 wt% BTMSMFM exhibit higher capacity retention than that in the baseline electrolyte at different upper cut off voltages, that is, 4.2, 4.3, 4.4 and 4.5 V vs. Li/Li+. Scanning electron microscope (SEM) show that the additive successfully prevents the formation of thick solid electrolyte interphase (SEI) films on the surface of the NCA electrodes. X-ray diffraction (XRD) further reveals that the crystal structure of NCA is also maintained in the electrolyte with 5 wt% BTMSMFM at high cut off voltages. Finally, besides beneficial to NCA cathode, the BTMSMFM additive also ensures better cycling performance of the graphite based half-cells and NCA/graphite full-cells, and thus is a promising additive for application in rechargeable lithium ion batteries.},
doi = {10.1016/j.jpowsour.2018.11.083},
journal = {Journal of Power Sources},
number = C,
volume = 412,
place = {United States},
year = {2019},
month = {2}
}

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