Theoretical Studies on the Dissociation Processes of Metallic Salts in Polymer Electrolytes: A Modeling Study

초록

The dissociation processes of three metallic salts, LiI, NaI, and KI, in polymer matrixes of polyethylene oxide (PEO), polyethyl amine (PEN) and polyethyl-N-nmethylamine (PMEI) were investigated theoretically by using the hydrid density functional theory of B3LYP level, since the dissociation of a metallic salt is expected to be closely related to the conductivity of polymer electrolyte.