A charge transport prediction method for metal electrode-aqueous electrolyte interface to guide the design of metal batteries

Abstract

A rigorous novel approach for predicting charge transport across the metal electrode-aqueous electrolyte interface is reported for the design of metal batteries. As a result of electrical current activating electrochemical behaviors in a metal battery, the growth and transition of metal electrode-aqueous electrolyte are described. We created a conducting electrochemical equation that accounts for the additional interfacial modifications introduced by quantum mechanics theory and electrochemical principles. Furthermore, we (1) validated this new method against previously reported conductivities of MgCl2 and MgSO4 electrolytes, (2) investigated general electrode-electrolyte behaviors to rationalize electrode-electrolyte design, and (3) demonstrated that this approach reveals interfacial superconductivity in FeSe/ionic liquids ([DEME][TFSI]) interface at 30 K and 200 K, resulting in breakthroughs and new insights in electrochemical, energy, biological, and environmental research.