About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Hume-Rothery Symposium on First-Principles Materials Design
|
Presentation Title |
Understanding Key Properties of Disordered Rock-salt Li-ion Cathode Materials Based on Ab Initio Calculations and Experiments |
Author(s) |
Jinhyuk Lee |
On-Site Speaker (Planned) |
Jinhyuk Lee |
Abstract Scope |
While the Li-ion battery prices have decreased about 90% in the last decade, this year saw a price increase for the first time primarily due to price swings in critical battery metals (Li, Ni, Co) used in current cathode materials with the layered structure. Disordered rock-salt (DRX) cathode materials have recently received much attention for their ability to deliver high capacity and energy density while being made with earth-abundant and inexpensive metals (e.g., Mn, Ti). In this talk, we demonstrate how combined ab initio calculations and experiments can help understand key properties (e.g., Li diffusion mechanism, redox processes, voltage) of the DRX cathodes to improve their cycling performance. |
Proceedings Inclusion? |
Planned: |
Keywords |
Energy Conversion and Storage, Modeling and Simulation, |