Electron-Transfer Reaction in Ether- and Carbonate-based Solid Polymer Electrolytes at Electrochemical Interfaces

Battery interfaces are complicated by the presence of polymeric materials of various composition called a solid electrolyte interphase (SEI), which forms immediately and spontaneously through the electrodeposition of electrolytes. In this poster, we employ atomistic molecular dynamics simulations to address solvation properties and electron-transfer kinetics of electrochemical reactions in the SEI. We investigate model SEIs composed of linear homopolymers, including poly (ethylene oxide) (PEO), poly (ethylene carbonate) (PEC), and poly (vinylene carbonate) (pVC) at the interface with pristine polarizable electrodes.