Prediction and control of non-equilibrium (meta-)stable morphologies

在这个项目中，我们研究了有机分子在非金属绝缘基底上的分子自组装，这在有机电子学中具有潜在的独特应用。由于弱的分子-基底相互作用，去湿和形成的岛屿与有趣的形态观察。这个项目的目的是制定基本的设计原则，为自组装的长寿命，动力学捕获的结构与预定义的形态。为此，我们将开发一种基于有偏路径采样的数值方法，并进行广泛的数值模拟，从中我们的目标是以系统的方式提取实验可调参数的见解。我们将进行初步的实验，以测试我们的理论方法和数值计算结果的一个特定的模型系统，富勒烯的萤石。

In this project we study molecular self-assembly of organic molecules on non-metallic, insulating substrates, which has potentially unique applications in organic electronics. Due to the weak molecule-substrate interactions, dewetting and the formation of islands with intriguing morphologies is observed. The aim of this project is to formulate basic design principles for the self-assembly of long-lived, kinetically trapped structures with pre-defined morphologies. To this end we will develop a numerical method based on biased path sampling and perform extensive numerical simulations, from which we aim to extract insights into experimentally tunable parameters in a systematic manner. We will perform preliminary experiments to test our theoretical approach and numerical results for a specific model system, fullerenes on fluorite.