|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Advanced Materials for Energy Conversion and Storage
||Studying Transport Mechanisms of Li in Graphite Polycrystals via Atomistic Simulations
||Christopher Shumeyko, Ed Webb
|On-Site Speaker (Planned)
Numerous works in recent years have exposed vast differences in ion diffusion rates in graphitic anodes of Lithium-ion batteries, ranging by several orders of magnitude. While explanations have focused on concentration effects, our computational studies elucidated grain boundary (GB) character as a driving force for differences in ion intercalation rates. For fully-lithiated polycrystals, however, concentration effects suppressed GB transport, despite geometrical boundary differences. Current work aims to further investigate transport mechanisms during intercalation as a means to reveal anisotropies in the structural response of such polycrystals. Such anisotropic performance may initiate anomalous anode performance that is associated with macroscopic battery failure. Interplanar (GB) versus intraplanar (gallery) Li transport mechanisms are vastly different and understanding characteristic behaviors that drive GB transport are critical. Intercalation behavior observed in our atomistic models is subsequently interpreted via analytical diffusion models.
||Planned: Stand-alone book in which only your symposium’s papers would appear (indicate title in comments section below)