The influence of FEC on the solvation structure and reduction reaction of LiPF6/EC electrolytes and its implication for solid electrolyte interphase formation
Lawrence Berkeley National Laboratory · University of California, Berkeley · +2 more institutions
Abstract
Fluoroethylene carbonate (FEC) has been proposed as an effective electrolyte additive that enhances the stability and elasticity of the solid electrolyte interphase (SEI) of emerging Si and Li metal anodes. However, uncertainties still remain on the exact mechanism through which FEC alters the electrolyte decomposition and SEI formation process. Herein, the influence of FEC on LiPF6/ethylene carbonate (EC) electrolytes for Si anodes is investigated through classical molecular dynamics, Fourier-transform infrared spectroscopy, and quantum chemical calculations. Albeit a minority species, FEC is found to significantly modify the solvation structure and reduction behavior of the electrolyte while being innocuous…
Citation impact
- FWCI
- 20.94
- Percentile
- 100%
- References
- 122
Authors
7- THTingzheng Hou
Lawrence Berkeley National Laboratory, University of California, Berkeley
- GYGuang Yang
Oak Ridge National Laboratory
- NNNav Nidhi Rajput
Lawrence Berkeley National Laboratory, Tufts University
- JSJulian Self
University of California, Berkeley, Lawrence Berkeley National Laboratory
- SPSang-Won Park
Lawrence Berkeley National Laboratory, University of California, Berkeley
Topics & keywords
- Electrolyte
- Solvation
- Ethylene carbonate
- Materials science
- Anode
- Passivation
- Chemical engineering
- Inorganic chemistry