Issue 46, 2022

3-(2,2,2-Trifluoroethoxy)propionitrile-based electrolytes for high energy density lithium metal batteries

Abstract

In this study, 3-(2,2,2-trifluoroethoxy)-propionitrile (FEON), a fluorinated nitrile compound with high oxidative stability, low volatility and non-flammability, is introduced as an electrolyte solvent for high-energy density Li|NCM batteries. After optimization of the electrolyte as (0.8 M LiTFSI + 0.2 M LiODFB)/FEC : FEON (1 : 3, by vol., abbreviated as FF13), the FEON-based electrolyte exhibits better cycling performance for both the lithium metal anode and 4.4 V high-voltage NCM cathode, compared with those of a commercial carbonate electrolyte of 1 M LiPF6/EC : EMC : DMC (1 : 1 : 1, by vol.). As for the FF13 electrolyte, the maximum coordination number of 3 for FEON molecules in the solvation structure is disclosed through molecular dynamics simulation combined with Fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy measurements. Furthermore, the solid electrolyte interphase on the lithium metal anode is enriched with organic components and LiF, which is proposed from FEON decomposition based on density functional theory calculations and X-ray photoelectron spectroscopy analysis. All the above results demonstrate that fluorinated nitrile electrolytes constitute a promising platform for high energy density Li|NCM batteries.

Graphical abstract: 3-(2,2,2-Trifluoroethoxy)propionitrile-based electrolytes for high energy density lithium metal batteries

Supplementary files

Article information

Article type
Paper
Submitted
02 9 2022
Accepted
06 11 2022
First published
07 11 2022

Nanoscale, 2022,14, 17237-17246

3-(2,2,2-Trifluoroethoxy)propionitrile-based electrolytes for high energy density lithium metal batteries

X. Zhou, M. Kozdra, Q. Ran, K. Deng, H. Zhou, D. Brandell and J. Wang, Nanoscale, 2022, 14, 17237 DOI: 10.1039/D2NR04801A

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