Synergistic dual electrolyte additives for fluoride rich solid-electrolyte interface on Li metal anode surface: Mechanistic understanding of electrolyte decomposition.

Improving the quality of the solid-electrolyte interphase (SEI) layer is highly imperative to stabilize the Li-metal anodes for the practical application of high-energy-density batteries. However, controllably managing the formation of robust SEI layers on the anode is challenging in state-of-the-art electrolytes. Herein, we discuss the role of dual additives fluoroethylene carbonate (FEC) and lithium difluorophosphate (LiPOF, LiPF) within the commercial electrolyte mixture (LiPF/EC/DEC) considering their reactivity with Li metal anodes using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations.