Spatially resolved lithium‐ion battery simulations of the influence of lithium‐nickel‐manganese‐cobalt‐oxide particle roughness on the electrochemical performance

Abstract

This publication deals with the influence of the roughnesses of single lithiumnickel-manganese-cobalt-oxide-based active material particles on the electrochemical behaviour. A roughness model is used to create particles with a defined roughness depth. Subsequently, comparative calculations are performed using a 3D spatially resolved electrochemical model under different operating conditions. The results show that for small Crates below 1C, the usage of the widespread assumption of smooth and spherical active material particles in models is justified. For higher Crates , the particle's shape and roughness are not negligible. Small, rough particles show the best performance characteristics for high rate applications. For operation in the diffusion-limited state (low diffusion coefficient and high Crate), the smallest absolute diffusion length represents a better correlation in terms of utilizable capacity compared to the volume-specific active surface area.

Influence of carbon binder domain on the performance of lithium‐ion batteries: Impact of size and fractal dimension

“…The basis for the electrochemical evaluation presented in this work is the numerical model developed by Kespe et al. [ 36 ] The model was previously used in the investigation of spatial distribution of electrical conductivity within the cathode microstructure [ 35 ] as well as in the spatially resolved numerical investigation of active material porosity [ 37 ] and roughness [ 38 ] . Two non‐overlapping domains namely the solid cathode $$\Omega _S$$ and the liquid electrolyte $$\Omega _E$$ comprise the half‐cell computational domain used by the model.…”

Virtual Electrode Design for Lithium‐Ion Battery Cathodes

“…Most of the approaches use simplified particle shapes to approximate the complex real shape of the AM particles, e.g., spheres, [ 7 ] ellipsoids, [ 8,9 ] or more arbitrarily shaped particles. [ 3,10,11 ] Other approaches try to capture the complex microstructure in more detail through complex stochastic models. [ 3,12 ] The disadvantage is that they are hard to parametrize, and it is difficult to systematically or precisely vary the microstructural characteristics.…”

3D Simulation of Cell Design Influences on Sodium–Iodine Battery Performance

“…[ 17–19 ] Cernak et al used the same model to investigate the influence of lithium nickel manganese cobalt oxide particle roughness on electrochemical performance. [ 20 ] Latz and Zausch compare a resolved model with homogenized theory in thermal–electrochemical lithium‐ion battery simulations. [ 21,22 ] They observe strong local fluctuations on the microscale.…”