05. Multi-scale modelling: from SEI formation to cell-level

Project description

The project aim: To build excellence in multi-scale modelling (MSM) of real battery problems at different length and time-scales, with a special focus on next generation batteries, including those based on solvent-free electrolytes.

The project goals: In particular we will apply MSM to assist interpretation of experimental observations – for todays and next generation battery concepts. Some examples:

• Elucidate the molecular level first stages of formation and the subsequent stability of SEI-layers for next generation batteries and how these affect / correlate with performance measures at cell level.
• Address the role of molecular level structure and dynamics of different types of solvent-free electrolytes, such as molten salt electrolytes and deep eutectic solvent-based electrolytes.
• Elaborate new modelling methods that, in conjunction with experimental operando methods, allow the best determination of the speciation in advanced battery electrolytes, such as for Li-S batteries and various M-O2 batteries.

Organisations involved in the project

• Chalmers University of Technology

Description in a picture

Contact person

Patrik Johansson
Chalmers University of Technology
patrik.johansson@chalmers.se