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供体-受体系统中电荷转移态（也称为CT激子）的动力学，特别是不同激子物种之间以及CT激子和电荷载流子之间的相互作用，无论是在单个层的主体（分子内）还是在多层有机半导体器件的界面（分子间）。这一方面需要准备干净的模型系统，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强的复杂性。CT态的动力学可以在OLED和太阳能电池配置中进行研究。事实上，由于基本的热力学和互易性，OLED的许多发现可以转移到太阳能电池，反之亦然。因此，我们的目标是建立专门的实验，例如测量OLED的开路电压或太阳能电池的亮度。关于模拟，我们的目标是一个全面和通用的模型，涵盖所有过程，可用于OLED和太阳能电池。

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.