Publication date: 10th April 2024
All-solid-state batteries (ASSBs) are candidates for the next-generation of battery electric vehicles. They potentially enable the use of lithium metal as an anode material thereby highly improving the energy density of the battery. Among the most promising candidates for solid electrolytes are polycrystalline materials such as LLZO, due to their high ionic conductivity and chemical stability [1].
The understanding of internal grain boundary interfaces is of interest both to optimize performance and to possibly prevent the formation of dendrites [2]. Improved understanding of solid electrolyte-solid electrolyte interfaces informs the design of hybrid electrolyte systems.
One often used tool in battery analysis is Electrochemical Impedance Spectroscopy (EIS). By utilizing an inverse Fourier transform on the truncated interface impedance, we calculate a minimal capacity value from the experimental data as an additional informative parameter. The truncated part is where overlap and uncertainties render the experimental data unreliable.
Using our continuum scale model, we simulate impedances for a range of possible interface configurations both for one interface and for a 3D polycrystalline structure. Space charge layers and their effects are included in the model and material properties are informed by atomistic simulations.
In our contribution we simulate impedances at ASSB interfaces using continuum scale modelling. The comparison to experiment helps us gain a better understanding of the relevant interfaces including the effect that different interface configurations have on the resistance. The gained understanding can inform the development and manufacturing of future ASSBs.
This work contributes to the research performed at CELEST (Center for Electrochemical Energy Storage Ulm-Karlsruhe). The authors thank the German Ministry of Education and Research (BMBF) for funding of the project CatSE2 under grant number 03XP0510D.
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