Data underlying paper III. "... Multimethod study for films of the blue fluorescent emitter MADN"

Figure data of paper "Electron affinity and binding energy of excitons in disordered organic semiconductors. III. Multimethod study for films of the blue fluorescent emitter MADN", accepted for publication in Physical Review B (2025).<br>Abstract: A method is developed for deducing the electron affinity of disordered organic semiconductors from spectroscopic thin-film studies of the ionization energy and the optical gap energy, combined with field-induced dissociation (FID) device experiments that are analyzed with Kinetic Monte Carlo simulations using a methodology that has been presented by E.J. de Jong et al. (Phys. Rev, B, xx, yy (20zz)). The FID experiments are carried out for a set of eight organic semiconductor materials that are often used in organic light-emitting diodes (OLEDs). The analysis is focused on the α and β-isomers of the blue fluorescent emitter material 2-methyl-9,10-di-naphthyl-anthracene (MADN). For these two materials, the experimental ionization energy, the optical gap energy, the exciton binding energy and the electron affinity, are shown to be consistent with the results of quantum-chemical calculations, presented by G. Tirimb`o et al. (Phys. Rev, B, xx, yy (20zz)).For all fluorescent emitter materials studied, the FID experiments reveal an exciton binding energy of approximately 1.0–1.2 eV, whereas for a thermally-activated delayed fluorescence material a slightly smaller value is obtained.

收录于《物理评论B辑》(Physical Review B)2025年待发表论文《无序有机半导体中激子的电子亲和能与结合能 第三部分：蓝色荧光发射体MADN薄膜的多方法研究》的相关图像数据。摘要：本研究开发了一种方法，可结合电离能与光学带隙能的光谱薄膜研究数据，以及场致解离（field-induced dissociation, FID）器件实验结果，推导无序有机半导体的电子亲和能；该实验分析采用了E.J. de Jong等人发表于《物理评论B辑》(Phys. Rev. B, xx, yy (20zz))的动力学蒙特卡洛（Kinetic Monte Carlo）模拟方法。本次FID实验针对八种常用于有机发光二极管（organic light-emitting diodes, OLEDs）的有机半导体材料展开。研究聚焦于蓝色荧光发射体材料2-甲基-9,10-二萘基蒽（2-methyl-9,10-di-naphthyl-anthracene, MADN）的α与β异构体。对于这两种材料，实验测得的电离能、光学带隙能、激子结合能与电子亲和能，与G. Tirimbò等人发表于《物理评论B辑》(Phys. Rev. B, xx, yy (20zz))的量子化学计算结果一致。针对本次研究涉及的所有荧光发射体材料，FID实验测得其激子结合能约为1.0–1.2 eV；而对于热活化延迟荧光（thermally-activated delayed fluorescence, TADF）材料，测得的结合能略小。