Lithium Oxide Superionic Conductors Inspired by Garnet and NASICON Structures

Design principles for solid-state lithium superionic conductors.

Lithium solid electrolytes can potentially address two key limitations of the organic electrolytes used in today's lithium-ion batteries, namely, their flammability and limited electrochemical stability. However, achieving a Li(+) conductivity in the solid state comparable to existing liquid electrolytes (>1 mS cm(-1)) is particularly challenging. In this work, we reveal a fundamental relations...

Data-Driven Discovery and Design of Superionic Lithium Conductors for High Performance Lithium Ion Batteries

We also implement locally weighted least squares linear regression with the following cost function: We search for the optimal model by performing leaveone-out cross validation over all models • Solid state lithium ion batteries show great promise as high performance energy storage devices; however, designing high ionic conductivity solid electrolytes remains a challenge. • There has yet to be ...

Defect chemistry and lithium transport in Li3OCl anti-perovskite superionic conductors.

Lithium-rich anti-perovskites (LiRAPs) are a promising family of solid electrolytes, which exhibit ionic conductivities above 10(-3) S cm(-1) at room temperature, among the highest reported values to date. In this work, we investigate the defect chemistry and the associated lithium transport in Li3OCl, a prototypical LiRAP, using ab initio density functional theory (DFT) calculations and classi...

Preparation of Na Superionic Conductors by Crystallization of Glass

Fluorine dynamics in BaF 2 superionic conductors investigated by NMR