Inorganic Battery Materials

Modeling Solid State Batteries

Ting Hei Wan, Ziheng Lu and Francesco Ciucci

Hong Kong University of Science and Technology, Hong Kong, China

1. 1 Introduction
2. 2 Atomistic Modeling for Solid‐State Batteries
3. 3 Continuum Modeling for Solid State Battery
4. 4 Abbreviations and Acronyms
5. 5 References

1 Introduction

Since the development of the first prototype in the 1990s, solid‐state batteries (SSBs) have gained significant interests from both the industrial and the scientific communities as one of the most promising energy storage devices. SSBs utilize an ionic conducting solid as the electrolyte. This choice prevents the safety hazards imposed by the use of flammable organic electrolyte typical of conventional lithium‐ion batteries (LIBs). Moreover, the use of a solid electrolyte (SE) allows the utilization of Li metal anodes that can lead to the enhancement of power density. However, many challenges, which hinder the development of SSBs, remain. In particular, SEs that possess a high ionic conductivity and broad electrochemical stability against high potential difference are still in need to reduce the potential and capacity loss during operation.(1) Another major obstacle is the interfacial resistance at the electrode|electrolyte interface due to space charge layer formation, phase and mechanical instability.(2)

To overcome the challenges mentioned above, various fast ions conducting material, including NASICON materials, garnet oxides, amorphous sulfides, and alkali ion rich anti‐perovskites, ...