Master Thesis "Reaction kinetics modelling for absorber layer formation in perovskite solar cells"
Perovskite solar cells (PSC) belong to the emerging photovoltaic technologies that can contribute to the energy transition in the near future. These recently developed solution-processed solar cells are low cost and eco-friendly. Even though their efficiencies already nearly compete with those of silicon devices, they still need to be improved. The fabrication process is known to play a crucial role in their performance, because it determines the quality of the perovskite crystalline layer. However, the process-structure relationship is still poorly understood due to the complex reaction pathways involved.
The objective of this master thesis is to propose a reaction kinetic model that successfully represents the perovskite crystallization mechanisms in a drying film. This includes the formation of complexes in the solution, of a solvate intermediate crystalline phase, of the final perovskite crystals, but also solvent removal. To this end, a home-made reaction kinetics framework allowing for fast and easy generation of many-reactions models will be used. The model will be compared to already available experimental data thanks to built-in fitting tools.
- Implement several chemical reaction sets, evaluate their relevance by trying to match the various experimental data, identify a generic set reproducing successfully all the data.
- For each available experimental data set, corresponding to different precursor solutions and thus possibly different reaction pathways, extract the activation energies and rate constants of each reaction. Compare with the experimental data available in the literature.
- Identify the limiting and driving reactions depending on the processing parameters. Use the reaction kinetics model to propose improved processing conditions.
- Report your results in a written report and oral presentation
- Required: Bachelor in Chemistry, Chemical Engineering or Physics.
- Desired: motivation for interdisciplinary problems and simulation/modelling