Publication date: 16th July 2025
Vapour based deposition techniques are highly interesting for perovskite solar cell fabrication. We investigated and quantified the reactant diffusion in sequentially deposited FAPbI3 perovskite (PVK) layers. Therefore, we created a model to determine the diffusion coefficient of FAI in a sequential deposited PbI2-FAI stack, in which a perovskite film grows during the necessary annealing step. Additionally, not only the 3D FAPbI3 was observed, but also lower dimensional perovskites (LDP) FAxPbI(2+x). The main measurement technique of our model is an in situ XRD set up. With the measured FAI and PVK intensity transients we are able to calculate the underlying diffusion coefficient for an isothermal annealing experiment. We performed this experiment with different annealing temperatures, so that the activation energy was determined. The model simulates FAI concentration gradients inside the PVK layer and calculates the corresponding integrated intensities for FAI and PVK. By comparing the simulated integrated intensities with the measured one, the best fitting diffusion coefficient is determined. Via Arrhenius plot we calculated the activation energy and preexponential factor as 0.83 eV and 2.37 cm2/s, respectively. This model lays the theoretical basis for quantifying multiple PVK systems. For example, the model will allow us to calculate the effect on reactant diffusion by adding caesium (Cs) or chloride (Cl), which is known from literature to increase diffusibility.
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