有机硼配合物作为用于有机发光二极管（OLED）的热激活延迟荧光（TADF）材料：一项计算研究。
Organoboron Complexes as Thermally Activated Delayed Fluorescence (TADF) Materials for Organic Light-Emitting Diodes (OLEDs): A Computational Study.
作者信息
Asiri Jamilah A, Hasan Walid M I, Jedidi Abdesslem, Elroby Shaaban A, Aziz Saadullah G, Osman Osman I
机构信息
Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Department of Chemistry, College of Arts and Sciences, Prince Sattam bin Abdulaziz University, Wadi Ad-Dwasir 18510, Saudi Arabia.
出版信息
Molecules. 2023 Oct 6;28(19):6952. doi: 10.3390/molecules28196952.
We report on organoboron complexes characterized by very small energy gaps (ΔE) between their singlet and triplet states, which allow for highly efficient harvesting of triplet excitons into singlet states for working as thermally activated delayed fluorescence (TADF) devices. Energy gaps ranging between 0.01 and 0.06 eV with dihedral angles of ca. 90° were registered. The spin-orbit couplings between the lowest excited S and T states yielded reversed intersystem crossing rate constants (K) of an average of 10 s. This setup accomplished radiative decay rates of ca. 10 s, indicating highly potent electroluminescent devices, and hence, being suitable for application as organic light-emitting diodes.
我们报道了一类有机硼配合物，其单重态和三重态之间的能隙（ΔE）非常小，这使得三重态激子能够高效地被捕获到单重态，从而用作热激活延迟荧光（TADF）器件。记录到能隙在0.01至0.06 eV之间，二面角约为90°。最低激发单重态（S）和三重态（T）之间的自旋 - 轨道耦合产生了平均为10 s⁻¹的反向系间窜越速率常数（K）。这种设置实现了约10 s⁻¹的辐射衰减速率，表明其为高效的电致发光器件，因此适用于有机发光二极管。
Zotero 插件