ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Kinetics of batteries and related systems

Despite the exciting developments in the field of lithium ion batteries as energy storage devices, there are severe issues restricting their capacity and cycleability, arising e.g. from volume expansion and solid electrolyte interphase formation between electrode and electrolyte.

Concentration [atom-%] vs. position [grid step] along the z-axis of a spherical and an ellipsoidal electrode particle. Different curves show the concentration profiles after every 105 steps. Faster kinetics was observed for an elliptical particle.

The flux contributions at the interface include diffusion, permeation, reconstitution and electromigration. Active particle size, morphology and spatial arrangements influence the performance of batteries. A suitable tool to take these phenomena into account is the phase field method. It easily treats variations of active material morphology and interface properties. This work aims to provide insight into the flux kinetics of electrochemical storage and related materials using the phase field method.

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