2019-08-012024-05-15https://scholars.lib.ntu.edu.tw/handle/123456789/665994摘要：單重態-三重態能隙和激發態的性質（局部或電荷轉移狀態）對有機發光二極管器件的效率有重要的影響。增加三重態的局部激發特性和減小能隙增強激發三重態和激發單重態之間的反系間跨越速率。儘管減少單線態-三線態能隙的策略是已知的，但是理解局部激發態在增強反向系間跨越速率中的作用以及激發態的局部/電荷轉移特性所依賴的因素尚不清楚。我們的目標是理解理論方法在定性和定量尺度上與實驗結果準確預測這些性質的程度。我們還研究並了解局部激發態在增強反向系間跨越速率中的作用，並探索改變激發態的局域/電荷轉移特性的方法。<br> Abstract: Singlet-Triplet energy gaps and the nature of excited states (local or charge transfer states) play a crucial role in altering the efficiency of organic light emitting diodes devices. Increasing the localized excited character of triplet states and reducing the energy gaps enhances (between excited singlet and triplets) the reverse intersystem crossing rates between excited triplet state and excited singlet state. Although strategies to reduce the singlet-triplet energy gaps are well known, understanding the role of localized excited states in enhancing the reverse intersystem crossing rates and the factors on which the local/charge transfer character of the excited state is dependent upon is not clearly known. We aim to understand the extent to which theoretical methods can predict these properties accurately against the experimental findings both on qualitative and quantitative scale. We also study and understand the role of localized excited states in enhancing the reverse intersystem crossing rates and probe the ways to alter the localized/charge transfer character of the excited states.單重態 - 三重態間隙局域態電荷轉移狀態調諧範圍分離參數有機發光體反系間跨越熱激活延遲螢光Singlet-Triplet gapslocalized statescharge-transfer statestuning range separation parameterOLEDsreverse-intersystem crossingthermally activated delayed fluorescence