在本篇論文，我們首先藉由引入高量子產率之蒽基與二苯乙烯基，再加上不同的推拉電子基團以調整HOMO與LUMO能階高低，成功設計並合成一系列深藍色螢光客體材料PSADPA、PSACz、PSAPCz、PSAN、PSAN2、PSAPy、PSACN與PSASO。也根據PESA的量測與理論計算結果，可以發現改變取代基團可以微幅調變分子之光物理性質，如HOMO與LUMO能階，以及放光光色。除此之外，單純改變分子基團的連接位置，也可以改變HOMO與LUMO的電子雲分佈，進而改變能階高低。而此系列材料熱裂解溫度均大於420 oC，其中僅有PSACz與PSASO在DSC的測量結果下觀察到玻璃轉化溫度與結晶溫度，但Tg分別高達145 oC與244 oC，整體而言具有相當高的熱穩定性，於熱蒸鍍製程中能確保元件品質。而根據PSASO的X-ray單晶繞射結果，此系列材料之蒽基分別與苯基與二苯乙烯基的二面角接近70度，有助於減少濃度淬熄的發生，因此多數分子均有高於90 %的量子產率；除此之外，藉由縮短蒽基分別與苯基與二苯乙烯基間的共軛長度，使分子放光依然可落在深藍光範圍，所有材料在12 wt%摻雜於CBP的元件中，在8伏特的電激發光之CIE座標x與y值相加均≦0.30。除此之外，此系列材料均具有高於5 %的外部量子效率，其中當以PSADPA作為客體材料，以12 wt%摻雜於CBP中之元件最大外部量子效率可達7.4 %，電流效率10.1 cd/A與9.1 lm/W的功率效率，8伏特下的電激發光CIE色度座標位於(0.14, 0.16)，屬於深藍光範圍，且最大亮度可高達13568 cd/m2。經由暫態光激發光光譜、變角度光激發光光譜、磁場效應與暫態電激發光光譜可以確認此系列材料之高外部量子效率，來自於TTA機制與較一般隨機排列(Θ=0.67)高的水平排列偶極(Θ=0.83)。
而在本篇論文中的第三章中，我們以雙硼衍生物作為電子受體，並搭配吖啶衍生物作為電子予體，設計兩個橘紅色螢光材料DMACDBA與SpACDBA，且當此二者以12 wt%摻雜於CBP薄膜時，最大放光波長分別為587 nm與570 nm，ΔEST分別為45與69 meV，且具有70 %以上的量子產率。由於DBA電子受體與吖啶電子予體均具一定程度之剛性，因此此二材料之熱穩定性均極為出色，以5 %失重定義為熱裂解溫度時，此二材料均有高於420 oC之熱裂解溫度，且於DSC的測量中，未觀察到任何吸放熱情形，因此在元件製程中也較不會有因熱能而使得元件表現不穩定之情況發生。而此二材料於元件中均有遠高於理論最大值5 %的最大外部量子效率，其中DMACDBA可達到24.0 %，且電流效率54.2 cd/A，功率效率48.7 lm/W，最大放光波長位於581 nm，最大亮度為9596 cd/m2；SpACDBA則可達到31.7 %，且電流效率99.3 cd/A，功率效率89.1 lm/W，最大放光波長位於555 nm，最大亮度為7246 cd/m2。經由時間解析光激發光光譜儀搭配量子產率計算之結果，可以發現DMACDBA與SpACDBA之高效率主要由TADF機制所貢獻，兩者之kRISC均可達到105s-1的數量級。再經由變角度光激發光光譜儀的測量結果，DMACDBA與SpACDBA之水平偶極排列分別為0.84與0.86，相較於等異向性的材料(Θ=0.67)而言，此二材料於摻雜元件中更傾向於水平排列，是造成此二材料較高之外部量子效率之一。

In the first part of this thesis, we successfully designed and synthesized a series of deep-blue dopants, PSADPA, PSACz, PSAPCz, PSAN, PSAN2, PSAPy, PSACN and PSASO by introducing anthracenyl and styryl groups, which are well-known for high quantum yields, and combining with different substituents to tune the energy levels of HO-MOs and LUMOs. Also, from the results of PESA measurement and theoretical calculation, different substituents could lead to different photophysical properties, including energy levels of HOMOs and LUMOs and the emission color as well. Besides, the distributions of HOMOs and LUMOs and their energy differences can also be changed through varying connecting sites of each substituent. These materials all possess decomposition temperature ( defined as 5 wt% loss) higher than 420 oC. Although Tgs and Tcs can be observed for PSACz and PSASO, the Tgs of both are high, 145 oC and 244 oC, respectively, which can assure the quality of OLEDs devices fabricated by the thermal vacuum deposition process. According to the result of single-crystal XRD of PSASO, the anthracenyl groups have dihedral angles of 70o between neighboring phenyl groups and the styryl groups, which can suppress the concentration quenching and lead to quantum yields higher than 90 %; moreover, by shortening the conjugation between anthracenyl groups and neighboring groups, we can sustain the deep-blue emission. When all the materials are 12 wt% doped in CBP, the ELs under 8 V are all with the CIE coordinate of x+y≦0.30. And the highest efficiency can be attained for devices containing PSADPA, with an EQE of 7.4 %, a C.E. of 10.1 cd/A, a P.E. of 9.1 lm/W, a CIE coordinate of (0.14, 0.16) under 8 V, and luminance of 13568 cd/m2. Finally, through the measurements of transient PL, angle-dependent PL, magnetic field effect, and transient EL, we concluded the high efficiency of PSADPA comes from the TTA mechanism and a higher horizontal dipole ratio(Θ=0.83) than isotropic ones (Θ=0.67).
In the second part, we designed and synthesized two materials with orange-red emission, DMACDBA, and SpACDBA. Basing on 9,10-dihydro-9,10-diboraanthracene (DBA) as the electron acceptor and acridine derivatives as electron donors. When these two are doped in CBP (12 wt%), they showed emission maximums at 587 and 570 nm, ΔESTs of 45與69 meV, and higher than 70 % quantum yields. Also, they showed decomposition temperature (5 wt% loss) higher than 420 oC and high stability during DSC measurements due to the rigid DBA acceptor and acridine donors. When applied in devices, they both showed external quantum efficiencies higher than the theoretical one (5 %). For DMACDBA, an EQEmax of 24.0 %, a C.E. of 54.2 cd/A, a P.E. of 48.7 lm/W, an emission maximum at 581 nm, and a luminance of 9596 cd/m2; for SpACDBA, an EQEmax of 31.7 %, a C.E. of 99.3 cd/A, a P.E. of 89.1 lm/W, an emission maximum at 555 nm, and a luminance of 7246 cd/m2. From the analyses and calculations from transient PL spectra and quantum yields, we got high kRISCs reaching 105s-1. As a result, we attribute the high efficiencies to the TADF mechanism. It is noteworthy that from the results of angle-dependent PL, the horizontal dipole ratios are 0.84 and 0.86 for DMACDBA and SpACDBA, respectively. Compared with isotropic materials, these two prefer horizontally oriented, which is also another factor that can further enhance the out-coupling and external quantum efficiency.

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