TPAHs as energy carriers for OPV devices

这项提议的目的是设计和合成新的单线态裂变发色团，将它们整合到有机光伏(OPV)设备中，并研究它们在太阳能到电能和电能到太阳能转换方面的性能。单线态分裂是提高OPV效率的一种非常受欢迎的现象，但它被限制在非常有限的结构基序范围内--主要是完全由中性稠合六元环组成的小分子--限制了它的开发和应用的范围和灵活性。到目前为止，还没有关于在功能性多环芳烃(PAHs)中利用基于七元环(即稠环)的芳香族阳离子的报道。这不仅是有机材料尚未被探索的一个基本领域，而且也为扩大现有单线态裂变材料的结构多样性提供了一条途径。作为一类新的单重态裂变发色团，我将研究聚芳烃(TPAHs)。由于聚环芳烃材料的扩散正电荷、氧化还原活性和负高斯曲率，熔融的三联吡咯环体系具有增强PAH材料的电子、结构和光物理性质的潜力。我们的目标是探索这些材料作为OPV设备中高效能量载体的潜力。

The aims of this proposal are to design and synthesise new singlet fission chromophores, to incorporate them in organic photovoltaic (OPV) devices, and to investigate their performance for solar-to-electricity and electricity-to-solar energy conversions. Singlet fission is a highly sought-after phenomenon to enhance the efficiency of OPVs, but it has been restricted to a very narrow range of structural motifs -predominantly small molecules constituted solely of neutral fused six-membered rings-limiting the scope and flexibility of its development and applications. To date, there have not been any reports that have taken advantage of aromatic cations based on seven-membered rings (i.e., fused tropylium rings) in functional polycyclic aromatic hydrocarbons (PAHs). This is not only a fundamental area of organic materials that has not been explored, but it also provides a pathway to expand the structural diversity of available singlet fission materials. I will investigate tropylium-fused aromatic hydrocarbons (TPAHs) as a new class of singlet fission chromophore. The inclusion of fused tropylium ring systems has the potential to enhance the electronic, structural, and photophysical properties of PAH materials on account of their diffuse positive charge, redox activity, and negative Gaussian curvature. We aim to explore the potential of these materials as efficient energy carriers in OPV devices.