Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

CPP: Fachverband Chemische Physik und Polymerphysik

CPP 24: Hybrid and Perovskite Photovoltaics III

CPP 24.6: Vortrag

Mittwoch, 19. März 2025, 10:45–11:00, H38

An effective Population balance model for evaporation-driven precursor-mediated crystallization — •Kai Segadlo, Olivier Ronsin, and Jens Harting — Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IET-2), Erlangen, Germany

Although tremendous progress has been made in recent years in Experimental and Material Design for solution-processed photoactive Perovskite thin films, this progress has not likewise been followed by a corresponding improvement in the theoretical understanding of these systems. In particular, the high computational demands arising from the plethora of potentially relevant thermodynamic processes, such as evaporation, crystallization, chemical reactions, demixing, and advection, as well as the high costs of in situ multichannel screening experiments, lead to uncertainties about the underlying physical mechanisms, which in practice often facilitate the use of narrow empirical models. As a first step towards theoretical coherence, we combine empirical mass transport models into a single population balance model accounting for evaporation, crystallization, and chemical reactions. We validate the drying subpart against drying curves, and the crystallization subpart against crystallinity curves from Ultraviolet Imaging Spectroscopy, and Phase field simulations, respectively. The model allows us to gauge the relevances of the processes during precursor-mediated methylammonium lead iodide crystallization measured with in situ Grazing Incidence Wide Angle X-ray scattering and to shed light on the experimentally highly relevant but hard-to-access coupling between evaporation and crystallization.