4，4＇，4＂-三（N-3-甲基苯基-N-苯基氨基）三苯胺掺杂MoOx作为空穴传输层对有机太阳电池性能的影响永

通过采用4,4’,4”．三（N-3-甲基苯基-N-苯基氨基）三苯胺（m-MTDATA）掺入MoO。作为器件的空穴传输层来提高酞菁铜（CuPc）／C60小分子有机太阳电池的效率．采用真空蒸镀的方法制备了一系列器件,其中结构为铟锡氧化物（ITO）／m-MTDATA：MoO2（3：1）（30nm）／CuPc（20nm）／C60（40nm）／4,7-二苯基-1,10-菲罗啉（Bphen）（8nm）／LiF（0．8nm）／Al（100am）的器件,在AMl．5（100mW／cm2）模拟太阳光的照射条件下,开路电压Koc=0．40V,短路电流Jsc=6．59mA／cm2填充因子为0．55,光电转换效率达1．46％,比没有空穴传输层的器件ITO／CuPc（20nm）／C60（40nm）／Bphen（8nm）／LiF（0．8nm）／A1（100nm）光电转换效率提高了38％．研究表明,加入m-MTDATA：MoO2（3：1）（30am）空穴传输层减小了有机层和ITO电极之间的接触电阻,从而减小了整个器件的串联电阻,提高了器件的光电转换效率．     

利用p型掺杂技术制备的高效有机电致发光器件

利用氧化钼(MoO_x)作为p型掺杂剂,以掺杂层4,4'-bis(carbazol-9-yl)biphenyl(CBP):MoO_x作为空穴注入层,制备了一种结构为ITO/MoO_x/CBP:MoO_x/CBP/CBP:tris(2-phenylpyridine)iridium(III)(Ir(ppy)₃)/4,7-diphenyl-1,10-phenanthroline(Bphen)/LiF/Al的有机电致发光器件.器件中CBP同时作为空穴注入层、空穴传输层以及发光层母体材料,这种结构具有结构简单同时能有效降低空穴注入势垒等优点.研究发现,随着空穴注入层厚度的增加,器件的电流密度增加,表明p型掺杂层的引入能够有效增强空穴的注入;通过优化器件空穴注入层与空穴传输层厚度,器件性能有所提高,最大电流效率为29.8 cd/A,可以认为合理的优化空穴注入层和空穴传输层的厚度,使载流子在发光层中的分布更加平衡是提高器件发光效率的主要原因.值得指出的是,从电流效率最大值到亮度为 20 000 cd/m²时,优化后器件的效率衰减仅为17.7%,而常规器件的效率衰减则为62.1%,优化后器件效率衰减现象得到了明显的改善.分析认为优化后的器件中未掺杂的CBP有助于展宽激子形成区宽度,进而减弱了三线态-三线态湮灭、三线态-极化子淬灭现象,激子形成区的展宽是改善效率衰减的主要原因.     

Organic Photovoltaic Cells with Improved Performance Using Bathophenanthroline as a Buffer Layer

采用Bphen作为缓冲层,研究Bphen处在电子受体材料C₆₀和阴极Ag之间对有机薄膜光伏电池(OPV)性能的影响．通过引入2.5nm厚的Bphen,在100 mW/cm²光照下,CuPc/C₆₀结构的器件效率从0.87%提高到2.25%． 对光生电流-电压的分析表明,Bphen缓冲层可以有效的提高电子从C₆₀层向Ag阴极的传输能力和平衡器件中载流子的传输能力．系统研究了Bphen厚度对OPV器件性能的影响,发现随着Bphen厚度的增加,电导率的降低是限制器件性能的主要原因．此外,采用紫外-可见光分光光度计测试了器件的吸收光谱,发现Bphen缓冲层可以增强CuPc/C₆₀的光吸收能力．     

富勒烯掺杂NPB空穴传输层的有机电致发光器件

报道了不同掺杂浓度NPB：C₆₀（富勒烯）作为空穴传输层对有机电致发光器件性能的影响.采用真空热蒸镀方法,制作了ITO/ NPB：C₆₀ （x % ）/Alq₃/LiF/Mg:Ag结构的四种有机电致发光器件.当NPB：C₆₀的掺杂浓度是15％时,器件的启亮电压是4 V,最大亮度是11000 cd/m².然而,当NPB：C₆₀的掺杂浓度是20％时,器件的最大亮度降     

一种改善红光顶发射OLED色纯度及角度依赖特性的方法研究

在Si/SiO₂衬底上生长金属银作为阳极,4,4,4-tris(3-methylphenylpheny-lamino)-triphenylamine(m-MTDATA):MoOx/m-MTDATA/N,N-bis-(1-naphthyl)-N,N-diphenyl-1,1-biphenyl-4,4-diamine(NPB)作为空穴注入及传输层,发光层采用4,4-N,N-dicarbazole-biphenyl(CBP)掺杂磷光染料(1-(phenyl)isoquinoline)iridium(III) acetylanetonate(Ir(piq)₂(acac))的结构,4,7-di-phenyl-1,10-phenanthroline(BPhen)作为空穴阻挡层及电子传输层,阴极为LiF(1 nm)/Al(2 nm)/Ag(20 nm)复合阴极结构.通过在光取出的复合阴极上方生长一层CBP光学覆盖层,有效地改善了复合阴极膜系的透射率,从而改善了顶发射结构的光学耦合输出特性,在提高器件的正向发光效率的同时还使色坐标往深红光区移动.并且生长光学覆盖层结构的器件角度依赖特性明显得到改善,这对于制作高显示质量的显示器件具有重要意义.在原有结构的基础上增加20 nm的NPB掺杂磷光染料Ir(piq)₂(acac)作发光层,从而得到双发光层结构为NPB:Ir(piq)₂(acac)(1%,20 nm)/CBP:Ir(piq)₂(acac)(1%, 20 nm).由于NPB具有较高的空穴迁移率,避免了由于光学厚度的增加而引起器件工作电压的大幅升高,而双发光层的结构有利于增大激子复合区域,提高辐射复合几率,减少非辐射损耗,实现主客体之间高效的三线态能量传递,相对单发光层顶发射结构,双发光层结构不仅提高了器件的发光效率,而且改善了器件的色坐标.     

基于器件结构提高TADF-OLED器件的发光性能

为了提高以TADF材料作为主体、天蓝色荧光材料作为客体的混合薄膜的OLED器件光电性能,我们调整了器件结构,使主体材料发挥其优势。制备了基本结构为ITO/NPB(40 nm)/DMAC-DPS∶x%BUBD-1(40 nm)/Bphen(30 nm)/LiF(0.5 nm)/Al的OLED器件。研究了主-客体材料在不同掺杂浓度下的OLED器件的光电特性。为了提高主体材料的利用率,在空穴传输层和发光层之间加入10 nm的DMAC-DPS作为间隔层;然后,在阳极和空穴传输层之间加入HAT-CN作为空穴注入层,形成HAT-CN/NPB结构的PN结,有效降低了器件的启亮电压(2.7 V)。测量了有无HAT-CN的单空穴器件的阻抗谱。结果表明,在最佳掺杂比例(2%)下,器件的外量子效率(EQE)达到4.92%,接近荧光OLED的EQE理论极限值;加入10 nm的DMAC-DPS作为间隔层,使得器件的EQE达到5.37%;HAT-CN/NPB结构的PN结有效地降低了器件的启亮电压(2.7 V),将OLED器件的EQE提高到5.76%;HAT-CN的加入提高了器件的空穴迁移率,降低了单空穴器件的阻抗。TADF材料作为主体材料在提高OLED器件的光电性能方面具有很大的潜力。     

基于Alq_3掺杂Bphen电子传输层的有机发光二极管

制备了结构为ITO/MoO_3(30 nm)/NPB(40 nm)/TCTA(10 nm)/CBP∶R-4B(8%)(30 nm)/电子传输层(40 nm)/Li F(1 nm)/Al(150 nm)的器件,其中R-4B为红色磷光染料,电子传输层分别采用Alq_3、Bphen∶Alq_3(x%)和Bphen,对3种不同电子传输层器件的发光性能进行了研究。结果表明:Bphen∶Alq_3(x%)作为电子传输层的器件与Alq_3或Bphen作为电子传输层的器件相比,亮度提高了约3.5倍,电流效率提高了1.1~2.5倍,效率滚降变得平缓。采用Bphen∶Alq_3作为电子传输层,不仅减小了电子在LUMO能级传输时的跳跃传输距离,而且在一定程度上抑制了Bphen的结晶,使器件的电子传输能力和效率滚降性能得到改善。     

SiO2分子的基态(X1A1)结构与分析势能函数

应用群论及原子分子反应静力学方法推导了SiO₂分子的电子态及其离解极限，采用B3P86方法，在6-311G^**水平上,优化出SiO₂基态分子稳定构型为单重态的C_2V构型，其平衡核间距R_e=R_Si—O=0.1587 nm,∠OSiO＝111.2°,能量为-440.4392 a.u..同时计算出基态的简正振动频率:对称伸缩振动频率ν(B₂)=945.4cm^-1，弯曲振动频率ν(A₁)=273.5 cm^-1和反对称伸缩振动频率ν(A₁)=1362.9cm^-1.在此基础上，使用多体项展式理论方法，导出了基态SiO₂分子的全空间解析势能函数，该势能函数准确再现了SiO₂(C_2V)平衡结构.     

BeCl分子电子激发态的多参考组态相互作用计算

运用含Davidson修正的多参考组态相互作用方法,在aug-cc-pVTZ基组水平上,对BeCl分子基态和相同多重度的几个低电子激发态进行了势能扫描计算.通过群论原理确定各电子态对称性及离解极限.将其中基态(X²Σ⁺)和第一激发态(A²Π})对应的势能曲线拟合到Murrell-Sorbie解析势能函数形式,得到基态(X²Σ⁺)的离解能及主要光谱常数(括号中为文献[6]提供的实验值)为D_e=3.74eV,R_e=0.18173nm(0.17970),w_e=857.4cm¹(847.2),w_ex_e=5.03cm^-1(5.14),B_e=0.7103cm^-1(0.7285),α_e=0.0059cm^-1(0.0069),第一激发态(A²Π)的D_e=3.02eV,R_e=0.18369nm(0.18211),w_e=832.7cm^-1(822.1),w_ex_e=5.93cm^-1(5.24),B_e=0.6953cm^-1(0.7094),α_e=0.0065cm^-1(0.0068),计算结果与实验值符合得较好.另外,通过Level程序求解双原子径向核运动的Schrödinger方程得到J=0时BeCl分子这两个电子态的全部振动能级.     

Nd掺杂对Bi4Ti3O12铁电薄膜的微结构和铁电性能的影响

利用溶胶-凝胶法在Pt/Ti/SiO₂/Si(100)衬底上制备了Nd掺杂Bi₄Ti₃O₁₂(Bi_4-xNd_xTi₃O₁₂, x=0.00,0.30,0.45,0.75,0.85,1.00,1.50)铁电薄膜样品.研究了Nd掺杂对Bi₄Ti₃O₁₂薄膜的微结构和铁电性能的影响.研究结果表明:Nd掺杂未改变Bi₄Ti₃O₁₂薄膜的基本晶体结构.在掺杂量x<0.45时,Nd³⁺只取代类钙钛矿层中的A位Bi³⁺.当x=0.45时,样品剩余极化强度达最大值,在270kV·cm^-1的电场下为32.7μC·cm^-2.掺杂量进一步增加时,结构无序度开始明显增大,Nd³⁺开始进入(Bi₂O₂)²⁺层,削弱其绝缘层和空间电荷库的作用,导致材料剩余极化逐渐下降.当掺杂量x达到1.50时,掺杂离子最终破坏(Bi₂O₂)²⁺层的结构,材料发生铁电-顺电相变.     

Reduction of driving voltage in organic light-emitting diodes with molybdenum trioxide in CuPc/NPB interface

A novel structure of organic light-emitting diode was fabricated by inserting a molybdenum trioxide (MoO₃) layer into the interface of hole injection layer copper phthalocyanine (CuPc) and hole transport layer N,N′-diphenyl-N,N′-bis(1-napthyl-phenyl)-1,1′-biphenyl-4,4′-diamine (NPB). It has the configuration of ITO/CuPc(10 nm)/MoO₃(3 nm)/NPB(30 nm)/ tris-(8-hydroxyquinoline) aluminum (Alq₃)(60 nm)/LiF(0.5 nm)/Al. The current density-voltage-luminance (J-V-L) performances show that this structure is beneficial to the reduction of driving voltage and the enhancement of luminance. The highest luminance increased by more than 40% compared to the device without hole injection layer. And the driving voltage was decreased obviously. The improvement is ascribed to the step barrier theory, which comes from the tunnel theory. The power efficiency was also enhanced with this novel device structure. Finally, “hole-only” devices were fabricated to verify the enhancement of hole injection and transport properties of this structure.     

梯度掺杂体异质结对有机太阳能电池光电转换效率的影响

基于传统的体异质结有机太阳能电池结构, 对结构中的混合层改用梯度掺杂的方法, 在AM1.5, 100 mW/cm²光照下, 使得器件的短路电流由原来的7.72 mA/cm²提高到了9.18 mA/cm², 相应的光电转换效率提高了25%. 器件性能的提升归因于梯度掺杂体系的引入使得体异质结混合层中同一材料分子之间形成了较好的连续网络结构, 降低了器件的串联电阻, 提高了电极对载流子的收集效率, 从而提高了器件的光电转换效率. 关键词： 有机太阳能电池 体异质结 梯度掺杂     

High-efficiency Simple Structure White Organic Light-emitting Devices Based on Rubrene Ultrathin Layer

White organic light-emitting devices (WOLEDs) were fabricated with an ultrathin layer of rubrene inserted between NPB and TPBI. With a simple three-layer structure of ITO/NPB(50 nm)/rubrene(0.1 nm)/TPBI(50 nm)/LiF/Al, a white light with CIE coordinates of (0.31, 0.30) were generated. The device gave a maximum luminance efficiency of 2.04 lm/W at 5 V. Furthermore, with a multilayer structure of ITO/m-MTDATA(30 nm)/NPB(20 nm)/rubrene(0.1 nm)/TPBI(40 nm)/Alq₃(10 nm)/LiF/Al, the device reached a maximum luminance efficiency of 4.29 lm/W at 4 V and the luminance could exceed 10 000 cd/m² at 10 V.     

Low driving voltage in organic light-emitting diode using MoO3/NPB multiple quantum well structure in hole transport layer

Driving voltage of organic light-emitting diode (OLED) is lowered by employing molybdenum trioxide (MoO₃)/N, N'-bis(naphthalene-1-yl)-N,N'-bis(phe-nyl)-benzidine (NPB) multiple quantum well (MQW) structure in hole transport layer. For the device with double quantum well (DQW) structure of ITO/ [MoO₃ (2.5 nm)/NPB (20 nm)]₂/Alq₃(50 nm)/LiF (0.8 nm)/Al (120 nm)], the turn-on voltage is reduced to 2.8 V, which is lowered by 0.4 V compared with that of the control device (without MQW structures), the driving voltage is 5.6 V, which is reduced by 1 V compared with that of the control device at the 1000 cd/m². In this work, the enhancement of the injection and transport ability for holes could reduce the driving voltage for the device with MQW structure, which is attributed not only to the reducing energy barrier between ITO and NPB, but also to the forming charge transfer complex between MoO₃ and NPB induced by the interfacial doping effect of MoO₃.     

Blue organic light-emitting diodes with low driving voltage and maximum enhanced power efficiency based on buffer layer MoO3

Blue organic light-emitting devices based on wide bandgap host material, 2-(t-butyl)-9, 10-di-(2-naphthyl) anthracene (TBADN), blue fluorescent styrylamine dopant, p-bis(p-N,N-diphenyl-amino-styryl)benzene (DSA-Ph) have been realized by using molybdenum oxide (MoO₃) as a buffer layer and 4,7-diphenyl-1,10-phenanthroline (BPhen) as the ETL. The typical device structure used was glass substrate/ITO/MoO₃ (5 nm)/NPB (30 nm)/[TBADN: DSA-Ph (3 wt%)](35 nm)/BPhen (12 nm)/LiF (0.8 nm)/Al (100 nm). It was found that the MoO₃∥BPhen-based device shows the lowest driving voltage and highest power efficiency among the referenced devices. At the current density of 20 mA/cm², its driving voltage and power efficiency are 5.4 V and 4.7 Lm/W, respectively, which is independently reduced 46%, and improved 74% compared with those the m-MTDATA∥Alq₃ is based on, respectively. The J-V curves of ‘hole-only’ devices reveal that a small hole injection barrier between MoO₃∥NPB leads to a strong hole injection, resulting low driving voltage and high power efficiency. The results strongly indicate that carrier injection ability and balance shows a key significance in OLED performance.     

Effect of dye dopants in poly(methylphenyl silane) light-emitting devices

To investigate the inter-molecular energy transfer between polysilane and dye dopants, poly(methylphenylsilane)(PMPS) was used as a host material and perylene as the blue dopant. The structure of the devices is indium–tin oxide (ITO)/PEDOT:PSS(30 nm)/PMPS:perylene(dye dopant 0.1–1.0 mol%)(60 nm)/Alq₃(20 nm)/LiF(0.5 nm)/Al(100 nm). Poly(3,4-ethylenedioxythiophene) (PEDOT):poly(4-styrenesulfonate) (PSS) is used as a buffer layer, tris(8-hydroxyquinoline)aluminum (Alq₃) as hole transporting layer, LiF as hole injection layer. The device shows a luminance 810 cd/m² at current density of 28 mA/cm², luminous efficiency of 0.14 lm/W. The external quantum efficiency (EQE) is about 0.5% and EQE increased up to 0.52% by doping with single wall carbon nanotubes (SWNT) into the emissive layer. We found an efficient inter-molecular energy transfer from polysilane to dye dopants. Furthermore, using the polysilane and energy-matched dye dopants enable to fabricate the electroluminescence devices through wet processes.     

具有新型双空穴注入层的有机发光二极管

采用新型双空穴注入层N, N, N', N'-tetrakis(4-Methoxy-phenyl)benzidine/Copper phthalocyanine(MeO-TPD/CuPc)及器件结构:ITO/MeO-TPD(15 nm)/CuPc(15 nm)/ N, N'-Bis(naphthalen-1-yl)-N, N'-bis(phenyl)benzidine (NPB, 15 nm)/8-hydroxyquinoline (Alq₃, 50 nm)/LiF(1 nm)/Al(120 nm), 研制出高效有机发光二极管(器件D), 与其他器件(器件A, 没有空穴注入层的器件; 器件B, MeO-TPD单空穴注入层; 器件C, CuPc单空穴注入层)相比, 其性能得到明显改善. 器件D的起亮电压降至3.2 V, 比器件A, B, C的起亮电压分别降低了2, 0.3, 0.1 V. 器件D在10 V时, 其最大亮度为23893 cd/m², 最大功率效率为1.91 lm/W, 与器件A, B, C的最大功率效率相比, 分别提高了43% (1.34 lm/W), 22% (1.57 lm/W), 7% (1.79 lm/W). 性能改善的主要原因是由于空穴注入和传输性能得到了改善, 通过单空穴型器件的J-V 曲线对这一现象进行了分析. 关键词： 有机发光二极管 空穴注入层 功率效率 势垒     

Enhanced power efficiency for white OLED with MoO3 as hole injection layer and optimized charge balance

White OLEDs with a different hole injection layer (MoO₃ or m-MTDATA), and a different electron transport layer (Alq₃ or Bphen) have been investigated. With 9,10-bis (2-naphthyl)-2-t-butylanthracene (TBADN) doped with 3% P-bis (P-N, N-diphenyl-aminostyryl) benzene (DSA-ph) and 0.05% 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7,-tetramethyl-julolidy-9-enyl)-4H-pyran (DCJTB) as white emitting layer, the MoO₃/ /Bphen based device shows the lowest driving voltage and highest power efficiency among the referenced devices. At the current density of 20 mA/cm², its driving voltage and power efficiency are 5.43 V and 4.54 lm/W respectively, which is independently reduced 40% and improved 57% compared with those of the m-MTDATA/ / Alq₃ based one, respectively. The energy level diagram of the devices and single-carrier devices are studied to explain the reasons for the improvement. The results strongly indicate that carrier injection ability and balance shows a key significance in OLED performance.