Institut für Angewandte Physik, Universität Tübingen, 72076 Tübingen, Germany.
J Chem Phys. 2012 Feb 7;136(5):054701. doi: 10.1063/1.3677839.
We report detailed temperature dependent photoluminescence (PL) spectra of pentacene (PEN), perfluoropentacene (PFP), and PEN:PFP mixed thin films grown on SiO(2). PEN and PFP are particularly suitable for this study, since they are structurally compatible for good intermixing and form a model donor/acceptor system. The PL spectra of PEN are discussed in the context of existing literature and compared to the new findings for PFP. We analyze the optical transitions observed in the spectra of PEN and PFP using time-dependent density functional theory calculations. Importantly, for the mixed PEN:PFP film we observe an optical transition in PL at 1.4 eV providing evidence for coupling effects in the blend. We discuss a possible charge-transfer (CT) and provide a tentative scheme of the optical transitions in the blended films.
我们报告了在 SiO2 上生长的并五苯(PEN)、全氟并五苯(PFP)和 PEN:PFP 混合薄膜的详细的温度依赖光致发光(PL)光谱。PEN 和 PFP 特别适合这项研究,因为它们在结构上相容,有利于良好的混合,并形成了一个模型给体/受体系统。PEN 的 PL 光谱在现有文献的背景下进行了讨论,并与 PFP 的新发现进行了比较。我们使用时间依赖的密度泛函理论计算分析了在 PEN 和 PFP 的光谱中观察到的光学跃迁。重要的是,对于混合的 PEN:PFP 薄膜,我们在 PL 中观察到 1.4eV 的光学跃迁,这为混合物中的耦合效应提供了证据。我们讨论了一种可能的电荷转移(CT),并提供了混合薄膜中光学跃迁的暂定方案。