| 초록 |
The extensive research efforts have been focused on the development of all-solid-state batteries for electric vehicle. In light of this trend, various solid electrolytes are proposed and evaluated for application in all-solid-state batteries. Development and optimization of materials for new battery systems with experiments alone would be difficult. To develop the less-explored or less-understood material systems, first-principles-based atomistic modeling can be a powerful tool for predicting the key properties prior to synthesis. In this talk, I will review first-principles methodologies to predict key properties such as the ionic conductivities, stable voltage windows, and water stability. |
