Batteries – Reaction Kinetics and Optimization

In our group, we are involved in research on lithium-ion and next-generation batteries. An essential part of our work is the deeper understanding of the underlying physical and chemical processes. To gain a deeper insight into these processes, we use synergies between mechanistic modelling and experimental investigations. This enables us to analyse and optimise batteries in terms of performance, ageing properties and safety.

One of our focal points is the investigation of reaction mechanisms and kinetics, starting from the structure of functional boundary layers up to energy conversion and degradation. This includes the description of a cell from its production to cell death.

Accurate chemical as well as electrochemical cell characterization is necessary for a detailed understanding of the underlying processes. Mass spectroscopic measurements, such as DEMS, allow deeper insights into ongoing reactions by determining reaction products. Furthermore, the electrochemical behaviour can be investigated in more detail by means of current-carrying capacity measurements, electrochemical impedance spectroscopy or cyclic voltammetry. In combination with our mechanistic models, these measurement methods allow a holistic understanding of current and future energy storage and energy conversion technologies. Depending on the problem, we can use models with different levels of detail, ranging from atomistic reactions to coupled microscopic/macroscopic descriptions.

In addition, we apply rigorous mathematical optimizations in order to translate the results of these models into practical applications. In collaborations with experts in the field of battery production, process understanding and model-based design proposals can be combined to accelerate progress in both areas.

Contact: Janika Wagner-Henke


From mathematical optimization to suitable electrode structures
From mathematical optimization to suitable electrode structures
From reaction networks to 3D-resolution and heats of reaction
Open positions for scientific staff
Titel contact

Current research topics

Topic Contact
Thermodynamic and kinetic stability of the Lithium-Liquid Electrolyte Interface - Multiscale Modeling (Lillint2)

Janika Wagner,
Aravind Unni

Investigation of solid electrolyte interphase (SEI) in Lithium-Ion batteries at elevated temperatures (SiMET) Michail Gerasimov
Model-based investigation of the chemical and electrochemical processes of lithium-sulfur batteries(Aero-LiS-SE) Walter Cistjakov (KIT Partner)
Simulation-based safety assessment of uncontrolled thermal runaway in aged battery cell (SimDuRal) Leon Schmidt,
Jorge Valenzuela
Post Lithium Storage Cluster of Excellence (POLiS) Dr. Kie Scott Hankins,
Michelle Allion
Holistic method of combined data- and model-based electrode design supported by artificial intelligence (HiBRAIN)

Jakub Jambrich