WEB Interface Modeling of All-Solid-State Lithium- ion Thin film BatteriesThursday (24.09.2020) 16:25 - 16:40 M: Modelling and Simulation 2 Part of:
The exchange current and the charge transfer resistance at the intrinsic equilibrium state are the crucial properties for battery research. However, the intrinsic equilibrium is always ignored in the battery simulation. In this work, we introduce an advanced model for all-solid-state batteries to study the equilibrium state. Different from the widely applied Planck-Nernst-Poisson (PNP) coupled with Frumkin-Bulter-Volmer (FBV) model, the influence of lithium-ion unoccupied sites (vacancies) is taken into account in our model. The results indicate that the vacancies have a great influence on the lithium ions distribution and especially on the electrostatic potential drop. The study shows that the total electrostatic potential drop across the interface at the intrinsic equilibrium state is related to the free enthalpy difference of the two materials (cathode/electrolyte). Moreover, the total electrostatic potential drops with the different SOC in the cathode fulfill the Nernst equation which indicates that this model is physical from a chemical perspective. Furthermore, the charge transfer resistances with the different electrical double layer structures are calculated and manifest that the compact double layer can obviously reduce the reaction resistance. Later, we consider the deformation in all-solid-state batteries and extend the model with the mechanical effect. A more physical Bulter-Volmer equation in which couples the mechanics part is also introduced.
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