In this study, mass transport phenomena and the electrochemical reactions were considered by solving the numerical equations based on the finite element method. The model used includes the diffusion of the lithium in the active material (AM), diffusion of ions in the electrolyte and the charge kinetic transfer at the electrode-electrolyte interface. Firstly, numerical simulations were performed to identify the bulk parameters of the single particle of commonly used positive AM, i.e., LixCoO2 (LCO). The results of this study have been compared with the experimental study conducted by Dokko et al. (2009). The simulated models predict global discharge characteristics that were overall in a good agreement with the experimental result as shown in Figure 1.
In the second part of this study, complex three-dimensional micro-structure of the electrode (cathode) was taken into an account. For that purpose, an in-house code was used to model the composite electrode system of SSB, consisting of the idealized micro-structure, i.e., spherical, containing both the AM and solid electrolyte (SE). The simulation model assumes the transport number of the SE is unity, which is usually the case for the SE systems. Additionally, in this study, we have also taken into account the coating of the AM, which is usually done to reduce the contact resistance between the AM and the sulphide SE particles. The model predictions revealed that the concentration of lithium remain unchanged in the SE over a period of time. It is also found from the simulations that a significant concentration gradient developed among the positive AM particles at high discharge current.
Reference:
- Dokko, N. Nakata, K. Kanamura, Journal of Power Sources, 189, (2009) 783–785