Validation of predicted solution processed organic semiconductor properties

在分子水平上控制有机半导体薄膜的形貌是提高大面积有机发光二极管照明、太阳能电池和传感器等光电器件性能的关键。该项目旨在从材料合成，器件制造和测试的经验设计周期转向更具预测性的方法，其中分子模拟的形态用于合理化实验测量的光电特性差异。成果将包括对决定器件效率的原子级结构细节的独特见解，以及对原子模拟是否可以应用于加速器件性能改进和工业转化的理解。

Controlling organic semiconductor film morphology at a molecular level is key to advancing the performance of optoelectronic devices such as large area organic light-emitting diode lighting, solar cells and sensors. The project aims to move from an empirical design cycle of material synthesis, device fabrication and testing to a more predictive approach where morphologies from molecular simulations are used to rationalise differences in experimentally measured optoelectronic properties. Outcomes will include unique insight into atomic-level structural details that determine device efficiency and an understanding of whether atomic simulations can be applied to accelerate improvements in device performance and translation to industry.