About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
2020 Technical Division Student Poster Contest
|
Presentation Title |
SPG-9: An Ab Initio Study on the Development of Co-free Layered Oxides as Cathode Materials in Li-ion Batteries |
Author(s) |
Che-an Lin, Ralph Nicolai Nasara, Shih-kang Lin |
On-Site Speaker (Planned) |
Che-an Lin |
Abstract Scope |
Layered oxides have been promising cathode materials for lithium-ion batteries because of their high theoretical capacity and voltage. Most currently commercialized layered-oxide cathodes are composed of cobalt (Co). However, the supply of Co is not only unstable and costly, but also it may soon be insufficient for future applications. A systematic calculation based on density functional theory were performed to design new Co-free layered oxides as a cathode material with high energy density. Effects of different elements on oxygen stability and voltage were examined, and a trade-off relationship was obtained. Phase stability evaluation was applied to check if the combination of high voltage redox couples can be thermodynamically stable. Ni, Mn, Fe system was found to have the highest chance of being stable single phase with high voltage, and it was also calculated to have higher ion migration barrier against phase transformation at 66% SoC compared to commercial Li(Ni1/3Mn1/3Co1/3)O2. |
Proceedings Inclusion? |
Undecided |