SKM 2023 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 18: Organic Electronics and Photovoltaics I (joint session CPP/HL)

CPP 18.2: Talk

Tuesday, March 28, 2023, 09:45–10:00, GÖR 226

Numerical Simulation of Crystallization Kinetics in Binary Mixtures for Organic Photovoltaic Applications — •Maxime Siber, Olivier Ronsin, and Jens Harting — Helmholtz-Institute Erlangen-Nürnberg for Renewable Energies (HI-ERN), Germany

With the aim to understand the formation process of organic photoactive layers, and identify process-structure relationships in order to optimize their fabrication, a computational framework relying on the phase-field modelling approach has recently been developed. It is now sought to quantitatively compare numerical simulations of drying organic photovoltaic (OPV) films with corresponding experimental realizations.

Since the fabrication process involves the interplay of multiple physical phenomena, which separate characterization already is a challenging task from the simulative, as well as from the experimental side, this first study focusses on crystallization behaviour in isothermal, non-evaporating, binary OPV blends. In particular, this talk addresses crystalline structures that arise from different crystallization processes such as solution-triggered crystallization, diffusion-limited crystallization, or spinodal decomposition-assisted crystallization. Furthermore, crystallization kinetics quantified for several blend ratios and material parameters are also analyzed and compared. Finally, perspectives regarding validation against in-situ experiments and derivation of design rules for OPV film fabrication are also provided.