Effects of chain length and anions on ion transport in PEO-lithium salt systems

Understanding the transport mechanism of Li+ in solid polymer electrolytes is beneficial for improving safety and energy density lithium-ion batteries. In this work, we investigate effects chain length poly (ethylene oxide) (PEO) anions (TfO-, TFSI-, PFSI-) on ion properties PEO-lithium salt systems using all-atom molecular dynamics simulations. We found that PEO monomers are co-diffusion, regardless type anion. The diffusion becomes slower with reaches an asymptotic value. addition, motion slowest PEO/LiTfO systems. conclude free volume plays a decisive role Li+.