Cathode degradation is a key factor that limits the lifetime of Li-ion batteries. To identify functional coatings that can suppress this degradation, we present a high-throughput density functional theory based framework which consists of reaction models that describe thermodynamic and electrochemical stabilities, and acid-scavenging capabilities of materials. Screening more than...
Lithium-ion battery technology is a critically important component of the emerging renewable energy infrastructure. Since battery technology was first commercialized in the 1990s, significant progress has been made in materials development, motivated by the prospect of higher energy and power densities, increased cycling longevity, and faster charging and discharging rates....