单分散齐聚芴电致发光材料的合成及器件化

用Sonogash ira法合成了一系列含三键的齐聚芴,所有产物经核磁共振谱、质谱及元素分析表征确认.此类物质在溶液中及薄膜状态均发射出蓝紫或深蓝色荧光,荧光发射峰随聚合度增大依次红移.以这些物质为发光材料制作了相应的有机电致发光二极管(OLED),对器件的测试结果表明,所合成的齐聚芴具有优良的蓝色电致发光特性,其中OF3R4的最大发光亮度达到5 795 cd/m²,而OF3R6的最大外量子效率达到1.0%,其最大发光亮度为2 690 cd/m².     

Luminescent compounds diphenylboron analogs of Alq3 and its methyl substituents: A theoretical investigation of their electronic and spectroscopic properties

The absorption and emission energies for diphenylboron analogs of Alq₃ (Ph₂Bq) and its methyl substituents (Ph₂Bmq) were systematically investigated at the Zerner's intermediate neglect of differential overlap (ZINDO), configuration interaction singles (CIS), and time‐dependent density functional theory (TD‐DFT) levels of theory. The lowest excited‐state geometries were optimized at the ab initio CIS level. The TD‐DFT method provides the most reliable results for the absorption and emission transition energies, compared with other methods. Moreover, the TD‐DFT calculations reliably estimate the changes of absorption and emission λ_max values upon methyl substitution, with errors of 1.2% and 1.8%, respectively. The Stokes shifts are well reproduced by TD‐DFT calculations. Various density functional theory methods have been tested and the B3LYP functional clearly seems to be the best choice for this class of compounds. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

Novel oxazole-based emitters for high efficiency fluorescent OLEDs: Synthesis,characterization, and optoelectronic properties

Two novel oxazole derivatives 4-(6-(4,5-diphenyloxazol-2-yl)pyridin-3-yl)-N,N-diphenylaniline (TPA-PPO) and 2-(5-(4-(9H-carbazol-9-yl)phenyl)pyridin-2-yl)-4,5-diphenyloxazole (CzPh-PPO) have been designed and synthesized. The photophysical, electrochemical and thermal characters of the compounds were systematically investigated, which consistent well with the theoretical DFT calculations. TPA-PPO and CzPh-PPO exhibit high photoluminescent quantum yield of 0.63 and 0.59, respectively. The device using TPA-PPO as the dopant showed deep blue emission with a high EQE of 1.77%. A white OLED was obtained using the single emitter of CzPh-PPO with an EQE of 1.24%.     

Synthesis and photophysical properties of phenothiazine-labeled conjugated dendrimers

A novel class of conjugated dendrimers bearing phenothiazines as peripheral groups and phenylenevinylene-group as a core has been synthesized through the Wittig-Horner reaction in moderate to good yield.     

利用缓变结提高蓝色有机发光二极管的寿命

在空穴传输层(HTL)和发光层(EML)界面加入缓变结的蓝色有机电致发光器件(Cell-GJ)。与传统的异质结结构的有机电致发光器件(Cell-HJ)相比,寿命有了明显的提高:半寿命在初始亮度为100 cd/m2的条件下达到了8460 h,比Cell-HJ的半寿命长6倍。寿命的延长归功于穿过非突变界面的局部电场的消除,减少了焦耳热的产生从而提高了器件的寿命。但是实验证实Cell-GJ的效率比Cell-HJ的效率低。为了提高Cell-GJ的效率在其TBADN/AlQ交界处蒸镀GaQ薄层制得一种新型器件Cell-GJGaQ。由于GaQ的最低未占有轨道能级介于AlQ和TBADN之间,从AlQ到GaQ再到TBADN形成的多阶势垒可以极大地提高电子(少子)注入,从而使发光效率也有了明显改善。研究结果表明Cell-GJGaQ的效率比Cell-GJ的效率高20%,半寿命同时也达到了6998 h,比Cell-HJ长5倍,整体性能有了较大提高。     

High efficiency rubrene based inverted top-emission organic light emitting devices with a mixed single layer

Inverted top-emission organic light emitting devices (TEOLEDs) with a mixed single layer by mixing of electron transport materials (PyPySPyPy and Alq₃), hole transport material (α-NPD) and dope material (rubrene) were investigated. Maximum power efficiency of 3.5 lm/W and maximum luminance of 7000 cd/m² were obtained by optimizing the mixing ratio of PyPySPyPy:Alq₃:α-NPD:rubrene=25:50:25:1. Luminance and power efficiency of mixed single layer device were two times improved compared to bi-layer heterojunction device and tri-layer heterojunction device. Lifetime test also shows that the mixed single layer device exhibits longer operational lifetimes of 343 h, which is three times longer than the 109 h for tri-layer device, and two times longer than the 158 h for bi-layer device. In addition, the maximum luminance and power efficiency were obtained at 20,000 cd/m² and 7.5 lm/W, respectively, when a TPD layer of 45 nm was capped onto the top metal electrode.     

Boron subphthalocyanine polymers: Avoiding the small molecule side product and exploring their use in organic light‐emitting diodes

In this study, we set out the steps to efficiently synthesize boron subphthalocyanine (BsubPc)‐containing polymers while circumventing the formation of a known side product. The synthesis was achieved using the post‐polymerization coupling reaction of a carboxylic acid functional prepolymer with bromo‐BsubPc. We have earlier shown that when copolymerizing styrene and acrylic acid (AA) a significant amount of an undesired side product is formed. In this study, we have determined that this side product persisted when styrene was copolymerized with AA or n‐butyl acrylate but could be avoided when styrene was copolymerized with methacrylic acid (MAA), methyl methacrylate, or acrylonitrile. Therefore, MAA/styrene copolymer, synthesized by nitroxide‐mediated polymerization was chosen to be coupled to BsubPc. The resulting BsubPc polymer was found to have similar electrochemical properties, solution state absorption and photoluminescence characteristics when compared against a small molecule model compound although the solid‐state PL emission of the polymer was found to be excitation wavelength dependent. Finally, preliminary organic light‐emitting diodes (OLEDs) were fabricated to assess the potential role(s) of the BsubPc polymer in organic electronic devices. These OLEDs represent the first‐solution processed organic electronic devices containing BsubPc polymers as a functional material. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 1996–2006     

Theoretical studies on the photophysical properties of some Iridium (III) complexes used for OLED

The structural and photophysical properties of four heteroleptic Iridium (III) complexes, based on 1-phenylpyrazole ligand, have been investigated theoretically. The effect of chemical substitution on the absorption and the emission spectra of the complexes has been studied and compared with the experimental data. We observe a significant structural change in the lowest triplet excited state as compared to the ground singlet state. We compute the emission wavelength of the complexes by considering the spin-orbit coupling. Using these understandings, we predict two new complexes having deeper blue emission which are supposed to be better efficient OLED materials.     

应用表面等离激元提高有机发光器件效率的研究进展

表面等离激元（SPP）存在于金属和介质界面,是光场和金属表面自由电子相互作用而产生的电子集体振荡行为.一方面,由于在金属纳米颗粒表面会形成局域的SPP震荡（LSP）,可以调控金属表面附近分子的发光性质,因此,很多研究者尝试在有机电致发光器件（OLED）中引入金属纳米颗粒,利用LSP改善OLED器件性能;另一方面,在传统发光器件中,由于金属表面等离激元的波矢量和自由光波的波矢量不匹配,无法辐射成自由光波,最终只能以热能的形式耗散掉.通过改变金属表面形貌,如附加光栅结构等方法,使得SPP的能量能够耦合成自由光,从而提高发光器件的外量子效率.利用SPP来提高有机发光器件的效率,已经引起广泛的关注,本文着重综述以下两个方面的工作：一是采用金属纳米颗粒的LSP提高荧光分子辐射跃迁的几率,从而提升发光器件的内量子效率;二是利用有序或无序光栅结构使得SPP与自由光的波矢匹配来提高器件的耦合出光,从而提升外量子效率.     

Theoretical study on the influence of ancillary ligand on the energy and optical properties of heteroleptic phosphorescent Ir(III) complexes

The geometries, energies, and electronic properties of a series of phosphorescent Ir(III) complexes including FIrpic, FIrmpic, FIrpca, and FIrprza have been characterized within density functional theory DFT calculations, which can reproduce and rationalize experimental results. The properties of excited states of the Ir(III) complexes were characterized by the configuration interaction with single-excitation (CIS) method. The ground- and excited-state geometries were optimized at the B3LYP/LANL2DZ and CIS/LANL2DZ levels, respectively. The absorption and phosphorescence wavelengths were computed based on the optimized ground- and excited-state geometries, respectively, by the time-dependent density functional theory (TD-DFT) methods. All the energies have been calculated by B3LYP method. The predictions revealed that the nature of the ancillary ligands can influence the distributions of frontier molecular orbitals and their energies, resulting in impact on the transition character and change in the emission color. In addition, the charge of transport quality has been estimated approximately by the predicted reorganization energy (λ). Our result also indicates that the substituent groups and different auxiliary ligand not only change the character of transition but also affect the rate and balance of charge transfer.