| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Innovations in Energy Materials: Unveiling Future Possibilities of Computational Modelling and Atomically Controlled Experiments
|
| Presentation Title |
Multiphasic model of Solid Electrolyte Interface formation in Lithium-ion batteries |
| Author(s) |
Vinay Thakur, Prabhat Prakash, Shreya Shukla, Raghavan Ranganathan |
| On-Site Speaker (Planned) |
Vinay Thakur |
| Abstract Scope |
The growing demand for clean energy has led many countries to invest significantly in energy storage devices. The electrolyte is a crucial component of batteries, essential for the flow of ions which ensures efficient energy storage and release. Solvated ionic liquids, due to their wide electrochemical window and high lithium-ion conductivity has emerged as an ideal electrolyte candidate for lithium-ion batteries. Here, Multiscale modelling techniques are used to investigate the evolution of solid electrolyte interface and lithium conductivity in a mixture of LiTFSI and tetraglyme at various salt to solvent ratios. Classical molecular dynamics with refined force field parameters for Li+ and TFSIˉ ion and tetraglyme reveal the effect of solvent exchange and rotational dynamics on the Lithium-ion mobility. Furthermore, ab initio and ReaxFF based MD simulations shed light on the dynamic evolution of solid electrolyte interface, the interface product formation, and their effect on Lithium conductivity. |
| Proceedings Inclusion? |
Planned: |