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Unveiling the dynamic Li + -solvent interaction evolution in lithium metal batteries.

Chen WangXiaofan DuJiedong LiChao WangShanmu DongGuanglei Cui
Published in: Chemical communications (Cambridge, England) (2023)
The interfacial chemistry during plating/stripping between electrolytes with different concentrations and Li metal is firstly in situ visualized by in situ Fourier transform infrared spectroscopy (FTIR) and simulated by density functional theory (DFT) calculations. It is verified that different Li + -solvent interaction evolutions at interfaces during the Li + stripping and plating processes result in different interfacial stability. This work uncovers the critical role of Li + -solvent interaction evolution for the stability of the interface between the solvent and Li metal anode.
Keyphrases
  • ion batteries
  • density functional theory
  • ionic liquid
  • solid state
  • molecular dynamics
  • molecular dynamics simulations
  • solar cells
  • gold nanoparticles
  • perovskite solar cells