The scientific project objective is to build a physics-based modelling platform for composite cathode materials for all-solid-state Li-ion batteries (ASSBs) to enable faster design of new systems and prediction of their performance under dynamic cycling and ageing conditions. VUB and imec joined complement one another on material, (electro)chemical, physical and modelling aspects.
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Li-ion batteries are nowadays dominating the battery market. Yet, this technology shows its limitations in terms of safety, performance and lifetime. All-solid-state batteries (ASSBs) are believed to be the key enabling technology to answer future needs. When compared to liquidelectrolyte Li batteries, all-solid-state ones are safer, have longer cycle life and higher energy density.
According to the EU battery technology roadmap, solid-state Li-ion batteries are expected to enter the market after 2025. Composite cathode/solid electrolyte materials play a crucial role in that technology. However, several challenges such as insufficient ionic conductivity of the electrolyte, the difficulty in forming effective cathode-electrolyte interfaces and insufficient fundamental understanding of the interfacial processes during charge/discharge, hinder the ASSBs to become a commercial product.
The innovative goal of LifeSBat is to design a general methodology for performance and lifetime prediction of composite cathodes for ASSBs. Both performance and lifetime of a real cathode will depend on the choice of materials, the microstructure realized during the manufacturing process and the usage and aging conditions. The developed methodology should be capable of evaluating the influence of all of these topics in a time- and cost-efficient way.
LifeSBat
A hybrid multiscale methodology is put forward to reach the goal. Both experiments and atomistic simulations are used to define the fundamental material properties – independently of geometry and usage conditions. Coarse-grained molecular dynamics (CGMD) simulations are used to predict the cathode’s microstructure, based on the variables of the manufacturing process. Finally, the obtained material properties are inserted as parameters into a continuum model, and this model is solved on the previously calculated microstructure to predict performance and lifetime of the composite cathode
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