Electrode design methodology for all-solid-state batteries: 3D structural analysis and performance prediction

Abstract

The key challenge in all-solid-state batteries is to construct well-developed ionic and electric conductive channels within an all-solid-state electrode, with an extensive contact area between electrode components. Hence, a new design methodology is proposed for all-solid-state electrodes utilizing a 3D geometry interpretation tool and electrochemical simulator. Firstly, the 3D structures of all-solid-state electrodes are generated using the voxel array formation. Secondly, with these structures, not only physical properties such as the specific contact area of the active materials, but also conductivity values can be identified. Subsequently, the main parameters derived from the 3D structures are utilized to build an electrochemical model to predict the cell performance. This three-step process will provide key insights on how 3D structures of all-solid-state electrodes must be constructed by predicting their preliminary physical and electrochemical properties with the help of computational simulations.