Li-ion Transport in Amorphous Solid Electrolytes

With recent industry-wide investments into electric vehicles, much research & development has focused on designing safer, lighter, fast-charging batteries. In particular, researchers search for an electrolyte that is manufacturable, mechanically robust, dendrite-resistant, and ionically conductive. The success of LiPON thin films indicates promise in glassy and amorphous materials, which are known to have different transport properties than their crystalline counterparts. With computational study of transport mechanisms, we can develop design rules for new glassy electrolytes. Using molecular-dynamics simulations, we model Li-ion conduction in various families of crystalline and amorphous materials. We study the results and mechanisms of amorphous structures on ion diffusivity, conductivity, and correlation.