Dynamics of charge transfer states in organic semiconductor devices: A combined experimental and simulation-based approach

该项目的目的是研究有机施主-受主系统中电荷转移态(也称为CT激子)的动力学，特别是不同激子物种之间的相互作用以及CT激子与电荷载流子之间的相互作用，包括整体单层(分子内)和多层有机半导体器件界面(分子间)的相互作用。这需要准备干净的模型系统，一方面通过专门的实验来隔离底层过程；另一方面，需要扩展模型以捕捉这些系统增加的复杂性。在有机发光二极管和太阳能电池配置中都可以研究CT态的动力学。事实上，由于基本的热力学和互易性，有机发光二极管的许多发现可能会转移到太阳能电池上，反之亦然。因此，我们的目标是建立专门的实验，例如，允许测量OLED的开路电压或太阳能电池的亮度。在模拟方面，我们的目标是建立一个涵盖所有工艺的全面而通用的模型，该模型既可用于有机发光二极管，也可用于太阳能电池。

The aim of the proposed project is to study the dynamics of charge transfer states (also denoted as CT excitons) in organic donor-acceptor systems and, specifically, the interplay between different excitonic species as well as between CT excitons and charge carriers, both in the bulk of individual layers (intra-molecular) and at interfaces of multilayer organic semiconductor devices (inter-molecular). This requires the preparation of clean model systems to isolate the underlying processes by dedicated experiments on the one hand; on the other hand the model needs to be extended to capture the enhanced complexity of these systems. The dynamics of CT states can be studied in both OLED and solar cell configurations. In fact, due to basic thermodynamics and reciprocity many of the findings from OLEDs may be transferred to solar cells and vice versa. Therefore we aim to establish dedicated experiments that allow for example to measure the open-circuit voltage of OLEDs or the luminance of solar cells. With regards to simulation we aim for a comprehensive and universal model covering all processes and which can be employed for both OLEDs and solar cells.