3-(2,2,2-Trifluoroethoxy)propionitrile-based electrolytes for high energy density lithium metal batteries
Xin Zhou, Melania Kozdra, Qin Ran, Keqing Deng, Hu Zhou, Daniel Brandell, Jinglun Wang
Abstract
/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.