Modelling for the search for new active materials for redox flow batteries
The processes at the electrode surface are crucial to the overall performance of a battery; several approaches were implemented and tested to study them in minute detail.
- overview at a glance:
- introduction to the underlying methods:
- in more detail:
- article on the Optimization of the microstructure of carbon felt electrodes by applying the lattice Boltzmann method and Bayesian optimizer
- article on Mesoscale Modeling and Simulation for Flow Batteries
- article on Gaining Insight into the Electrochemical Interface Dynamics in an Organic Redox Flow Battery with a Kinetic Monte Carlo Approach
- PhD thesis by Jia YU on Meso-scale Modelling of Organic Redox Flow Batteries available in July 2024
- article on the Optimization of the microstructure of carbon felt electrodes by applying the lattice Boltzmann method and Bayesian optimizer
- some more background:
- reporton an upgraded kMC model
- reporton Scaling Strategies - 1
- reporton Scaling Strategies - 2
- kinetic Monte Carlo Model on github
- reporton an upgraded kMC model