New computational screening approach identifies potential solid-state electrolytes

(National Centre of Competence in Research (NCCR) MARVEL) Though researchers have been looking for solid-state electrolytes that could enhance both the safety and performance of lithium-ion batteries for decades, no thoroughly suitable candidate has been found. Computational screening may offer better chances of success. In a recent paper, NCCR MARVEL researchers presented a computational framework for predicting the diffusion of Li-ions in solid-state materials, showed how to employ it in large...