| 초록 |
To optimize the polymer electrolyte performance, the molecular understanding for the highly charged, microphase-separated electrolyte system is required. In this work, molecular dynamics (MD) simulations were performed to understand the role of electrostatic interaction at the interfacial layer in stabilizing different morphologies of charged polymer system. MD simulation revealed the micelles in a low symmetry cubic phase (A15) were closely contacted and made thin ionic shell layers at the interface. Moreover, a difference in the ion dynamics was observed between bulk and interfacial area due to electrostatic interactions between polymer and cation, resulting in morphology-specific ion dynamics. This work provides the mechanistic understanding of the electrostatic control of stability and ion dynamics in PEs with different morphologies and establishes a prospective avenue for advanced PEs with high ionic conductivity. |
