Structures and dynamic properties of the LiPF 6 electrolytic solution under electric fields – a theoretical study

作者：Man Liu, Peter Joseph Chimtali, Xuebin Huang, Rubo Zhang · 发表于：Physical Chemistry Chemical Physics · 年份：2019 · DOI：10.1039/c9cp00561g · 被引用次数：12 · 研究领域：Advancements in Battery Materials、Advanced Battery Materials and Technologies、Advanced Battery Technologies Research

mobilities in the two solutions have similar values, showing that the dynamic properties of the electrolytic solutions are almost independent of the number of fluorine atoms on these carbonates. There emerges an oriented and ordered arrangement of the solvent molecules and thus the largely decreased dielectric constants under the electric fields, even though the field strength is very low. These interesting phenomena should be relevant in the formation of contact and aggregate ion pairs, leading to unexpected reduction of the charge-discharge rate-related ion mobility in mixed solvents.