Optimizing the Composite Cathode Microstructure in All‐Solid‐State Batteries by Structure‐Resolved Simulations

Microstructure-resolved simulation: Composite cathode design is critical for a high performance of all-solid-state batteries. This study aims to reveal the induced limitations of the cathode microstructure on electrochemical cell performance through structure-resolved simulations. By correlating structural properties and cell performance, promising design strategies are identified. Special focus is set on the influence of grain boundaries.

Abstract

All-solid-state batteries are considered as an enabler for applications requiring high energy and power density. However, they still fall short of their theoretical potential due to various limitations. One issue is poor charge transport kinetics resulting from both material inherit limitations and non-optimized design. Therefore, a better understanding of the relevant properties of the cathode microstructure is necessary to improve cell performance. In this article, we identify optimization potentials of the composite cathode by structure-resolved electrochemical 3D-simulations. In our simulation study, we investigate the influence of cathode active material fraction, density, particle size, and active material properties on cell performance. Special focus is set on the impact of grain boundaries on the cathode design. Based on our simulation results, we can predict target values for cell manufacturing and reveal promising optimization strategies for an improved cathode design.

Zum Volltext