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

Batteries & Supercaps, vol. 6

Abstract

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.

Authors 9

1. Moritz Clausnitzer corresponding

   Helmholtz-Institute Ulm · Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   German Aerospace Center (DLR) Institute of Engineering Thermodynamics Pfaffenwaldring 38–40 70569 Stuttgart Germany

   Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU) Helmholtzstraße 11 89081 Ulm Germany

   German Aerospace Center DLR Institute of Technical Thermodynamics: Deutsches Zentrum fur Luft- und Raumfahrt DLR Institut fur Technische Thermodynamik, Institute of Engineering Thermodynamics, Pfaffenwaldring 38-40, 70569 Stuttgart, GERMANY

2. Robert Mücke

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

   Jülich Aachen Research Alliance: JARA-Energy 52425 Jülich Germany

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

3. Fadi Al‐Jaljouli Aachen

   RWTH Aachen University · Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

   Jülich Aachen Research Alliance: JARA-Energy 52425 Jülich Germany

   RWTH Aachen University Institute of Mineral Engineering Department of Ceramics and Refractory Materials 52064 Aachen Germany

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

4. Simon Hein

   Helmholtz-Institute Ulm · Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   German Aerospace Center (DLR) Institute of Engineering Thermodynamics Pfaffenwaldring 38–40 70569 Stuttgart Germany

   Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU) Helmholtzstraße 11 89081 Ulm Germany

   German Aerospace Center DLR Site Stuttgart: Deutsches Zentrum fur Luft- und Raumfahrt DLR Standort Stuttgart, Institute of Engineering Thermodynamics, GERMANY

5. Martin Finsterbusch

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

   Jülich Aachen Research Alliance: JARA-Energy 52425 Jülich Germany

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

6. Timo Danner

   Helmholtz-Institute Ulm · Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   German Aerospace Center (DLR) Institute of Engineering Thermodynamics Pfaffenwaldring 38–40 70569 Stuttgart Germany

   Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU) Helmholtzstraße 11 89081 Ulm Germany

   DLR Stuttgart: Deutsches Zentrum fur Luft- und Raumfahrt DLR Standort Stuttgart, Institute of Engineering Thermodynamics, GERMANY

7. Dina Fattakhova‐Rohlfing

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

   Jülich Aachen Research Alliance: JARA-Energy 52425 Jülich Germany

8. Olivier Guillon Aachen

   RWTH Aachen University · Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

   Jülich Aachen Research Alliance: JARA-Energy 52425 Jülich Germany

   RWTH Aachen University Institute of Mineral Engineering Department of Ceramics and Refractory Materials 52064 Aachen Germany

   Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Materials Synthesis and Processing (IEK-1) Wilhelm-Johnen-Straße 52425 Jülich Germany

9. Arnulf Latz

   Universität Ulm · Helmholtz-Institute Ulm · Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   German Aerospace Center (DLR) Institute of Engineering Thermodynamics Pfaffenwaldring 38–40 70569 Stuttgart Germany

   Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU) Helmholtzstraße 11 89081 Ulm Germany

   Ulm University, Institute of Electrochemistry Albert-Einstein-Allee 47 89081 Ulm Germany

   DLR Stuttgart: Deutsches Zentrum fur Luft- und Raumfahrt DLR Standort Stuttgart, Institute of Engineering Thermodynamics, GERMANY