|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Materials for Energy Conversion and Storage
||Are We There Yet? — Predicting the Theoretical Limit for Na Storage of in Hard Carbon Anodes
||Clement Bommier, Woochul Shin, Wesley Surta, Michelle Dolgos, Xiulei Ji, P Alex Greaney
|On-Site Speaker (Planned)
||P Alex Greaney
The past half decade has seen extensive research to develop Na-ion batteries (NIBs) with many heralding them as the most promising technology for energy storage at the scale of the electrical power grid. A key factor in this progress has been the discovery of amorphous carbon anode materials that accommodate the large Na ion. To continue this progress we must now move from the proof-of-concept phase to rational “anode-by-design” in which we understand the relationships between structure and Na-storage, and we know how much scope there is for improving these anodes’ storage capacity. In this work, we have computed the electronic structure of Na storage in a wide variety of carbon structures. From these we tease apart structural contributions to Na storage, and identify features that are most beneficial for reversible Na-ion storage. Taken together, these calculations enable prediction of a theoretical limit to amorphous carbon’s capacity for Na-ion storage.