Predicting the transport and mechanical properties of the solid electrolyte interphase in Li-ion batteries
Yue Qi (General Motors R&D), Siqi Shi (Brown University), Louis J. Hector, Jr. (General Motors R&D), Kevin Leung (Sandia National Lab)
Lithium ion batteries: When Chemistry meets Mechanics
Tue 10:45 - 12:15
Salomon 003
Critical to Li-ion battery efficiency, power and lifetime is the formation of a passivating film on electrode surfaces known as the solid electrolyte interphase (SEI). Ideally, the SEI should prevent electrolyte decomposition, allow fast Li+ transport through it into the electrodes, and be mechanically stable during battery cycling. Despite numerous studies on the chemistry and structure of SEI, basic material properties, including mechanical, electron and Li+ transport properties are generally unknown for SEI. In this presentation, predictive modeling starting from first principles calculations was developed to compute these important properties with idealized SEI materials. Insights gained from these calculations allow us to select artificial SEI materials, suggest different dopants to enhance Li conductivity in SEI films, and propose a new mechanism for electron leakage through an SEI film into the electrolyte.