First Principles Study of the Li[subscript 10]GeP[subscript 2]S[subscript 12] Lithium Super Ionic Conductor Material

Abstract

The continued drive for high performance lithium batteries has imposed stricter requirements on the electrolyte materials. Solid electrolytes comprising lithium super ionic conductor materials exhibit good safety and stability and are promising to replace current organic liquid electrolytes. One major limitation in the application of Li-ion conductors is that their typical conductivity is less than 10[superscript −4] S/cm at room temperature. Recently, Kamaya et al. reported a new Li super ionic conductor Li[subscript 10]GeP[subscript 2]S[subscript 12] (LGPS), which has the highest conductivity ever achieved among solid lithium electrolytes of 12 mS/cm at room temperature (comparable conductivity with liquid electrolytes) and outstanding electrochemical performance in Li batteries.