| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Materials for Energy Conversion and Storage 2024
|
| Presentation Title |
The Impact of Interface Layer on Li Plating and Stripping Morphology |
| Author(s) |
Yue Qi |
| On-Site Speaker (Planned) |
Yue Qi |
| Abstract Scope |
Stable plating and stripping of Li metal in both liquid and solid electrolytes remain a significant challenge for high energy Li batteries. This Li/electrolyte interface is further complicated by a complex solid electrolyte interface (SEI). The electronic, ionic, and mechanical properties of the Li/SEI interface can significantly change the Li plating and stripping morphology. Density Functional Theory (DFT) informed multiscale modeling approaches were developed to capture the plating and stripping morphologies. For Li-plating, we show that the Li intergranular growth in Li7La3Zr2O12 solid electrolytes originated from the trapped electrons at grain boundaries and internal surfaces. For Li-stripping, we show that lithiophilic interface requires less stack pressure to maintain a flat surface while a higher stack pressure is needed at lithiophobic interfaces to accelerate Li vacancy diffusion into the bulk and maintain a flat surface. This multiscale simulation scheme illustrates the importance of the chemical-mechanical effects in Li stripping morphology evolution. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Energy Conversion and Storage, Computational Materials Science & Engineering, Modeling and Simulation |