Role of solvation on diffusion of ions in diblock copolymers: understanding the molecular weight effect through modeling
발표자
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초록
내용
Salt-doped diblock copolymers, which are composed of conducting and robust blocks, have been considered as potential solid battery electrolytes. In such systems, ions conduct through the conducting phase typically made of poly(ethylene) oxide while the other phase provides robustness. The polymeric systems have been of particular interest due to their unique behavior such that ionic conductivity increases while the polymer molecular weight increases. In this study, we explored the cause of such phenomenon using a coarse-grained molecular dynamics. While the ion distribution especially apart from the polymeric interfacial area has been treated as a key factor for the explanation, our model indicated the ionic agglomeration plays a key role. Taking an advantage of the coarse-grained model, the ion-polymer and ion-ion interaction were tuned to represent various generic conditions, and a trend line was obtained between the ion diffusion constants and the degree of the ion agglomeration.