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论文类型：期刊论文

发表时间：2019-02-01

发表刊物：ADVANCED THEORY AND SIMULATIONS

收录刊物：SCIE

卷号：2

期号：2

关键字：anions; iffusion; molecular dynamics; polymer electrolytes; supercapacitors

摘要：Polymer electrolytes are critical to solid-state energy storage devices because of their electrical/mechanical/thermal stability. The energy storage mechanisms of supercapacitors call for a higher degree of anion transports in the polymer electrolytes. Therefore, the improvement of anions transport is critical to the performance of supercapacitors. However, the underlying transport mechanisms of different anions in the polymer electrolyte system has rarely been studied. In the present study, by molecular modeling, it is understood and demonstrated that different anions adapt to different transfer mechanisms in the polymer electrolytes during the charging/discharging process, allowing one to tune the anion transport by either adjusting the polymer structures or change the anion types. For the H2SO4-poly(vinyl alcohol) (PVA)-based system, the diffusion of anions is more significant, while the H3PO4-PVA system relies on the alignment of anions to the electrical field. The fundamental understanding will guide polymer electrolyte design for the solid-state energy storage devices.