Abstract
The limited Li+ transport capacity of poly(ethylene oxide) (PEO)-based solid polymer electrolytes restricts their practical applications. To enhance the Li+ diffusion coefficient, CuF2 was incorporated. Molecular dynamics simulations were performed on LiTFSI/PEO systems and CuF2/LiTFSI/PEO systems at varying lithium salt concentrations. The findings indicate that the inclusion of CuF2 in LiTFSI/PEO systems with high lithium salt concentration enhances the Li+ diffusion coefficient, whereas it diminishes at low lithium salt concentration. This phenomenon is attributed to the abundant coordination properties of Cu2+.
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