Coarse Graining to Predict Molecular Orientations in Evaporated Organic Thin Films Morphologies

ORAL

Abstract

Predicting molecular orientations in organic thin films by means of anisotropic refractive index has gained considerable attention in recent years. However, the microscopic insights underlying the correct orientation of the molecules remain poorly understood. In this work, we employed coarse-grained molecular dynamics simulations to replicate vacuum deposition experiments and generate the morphology of evaporated thin films consisting of organic semiconductor materials. The simulated morphologies predicted well the anisotropic refractive index as observed in the experiments. Our findings provide valuable insights into the molecular structure of these thin film materials and their applications in organic electronic devices.

*We gratefully acknowledge the financial support provided by the Deutsche Forschungsgemeinschaft (DFG), the Transregional Collaborative Research Center 146 (TRR 146) and Merck KGaA, Darmstadt for this project.

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Presenters

  • Muhammad Nawaz Qaisrani

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany

Authors

  • Muhammad Nawaz Qaisrani

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany

  • Naomi Kinaret

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany

  • Felix Post

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany

  • Christoph Scherer

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany

  • Andriy Zhugayevych

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany

  • Falk May

    • Merck KGaA, Display Solutions department, Frankfurter Straße 250, 64293 Darmstadt, Germany

  • Wolfgang Brütting

    • Institute of Physics, University of Augsburg, 86159, Augsburg, Germany

  • Denis Andrienko

    • Max Planck Institute for Polymer Research, Polymer Theory department, Ackermannweg 10, 5528 Mainz, Germany