磁场作用下的有机电致发光

分别制备了荧光器件ITO/NPB/Alq₃/LiF/Al和磷光器件ITO/NPB /CBP: Ir（ppy）₃/BCP/Alq₃/LiF/Al, 测试了50 mT磁场作用下器件的I-V和L-V特性. 与零磁场相比荧光器件和磷光器件的效率分别增加了44%和7%. 从有机电致发光的机制出发对该现象进行了解释, 认为外加磁场可以使三重态激子发生塞曼分裂, 进而在荧光器件中引起了三重态激子T     

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.     

基于新型电荷生成层的P-i-N结构白色有机叠层电致发光器件

采用2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline(BCP): 5 wt.% cesium carbonate(Cs₂CO₃)和N, N'-Bis(naphthalen-1-yl)-N,N'-bis(phenyl)-benzidine(NPB): 20 wt.% molybdenum oxide(MoO₃)分别作为器件的电子注入层和空穴注入层,研究了N型和P-i-N结构有机电致发光器件的载流子传输特性.载流子传输层中BCP: Cs₂CO₃和NPB:MoO₃的引入有效增强了载流子注入能力,从而降低了器件的驱动电压.基于新型电荷生成层BCP: 5 wt.% Cs₂CO₃/ NPB: 20 wt.% MoO₃制备了色稳定、高效率P-i-N结构有机叠层器件.与单元器件相比,引入新电荷生成层有机叠层器件的最大电流效率增大了2.5倍,表明该电荷生成层可以有效地将电子和空穴分别注入到相邻发光单元中.采用该电荷生成层制备了P-i-N结构白色有机叠层器件,器件的上下发光单元分别为橙光和蓝光发射.当发光亮度从500增加到5 000 cd/m²时,器件的色坐标稳定在(0.33, 0.29)附近,接近白光等能点.利用单色发光单元堆叠制备白色有机叠层器件的方法为实现色稳定、高效率的白色有机电致发光器件提供了一种有效的途径.     

芴-咔唑新型共聚物/PVK掺杂体系的电致发光特性研究

研究了新型的芴-咔唑共聚物(PFC)与聚乙烯咔唑(PVK)掺杂体系的光致发光和电致发光特性.制备了结构分别为indium-tin-oxide(ITO)/PVK:PFC/bathocuproine(BCP)/tris-(8-hydroxylquinoline)-aluminum (Alq₃) /Mg:Ag，ITO/PFC/BCP/Alq₃/Mg∶Ag和ITO/PVK/BCP/Alq₃/Mg∶Ag的三种有机电致发光器件.对器件的光电特性进行了测试.结果表明，掺杂体系中的PVK有效地抑制了固态膜中PFC激基缔合物的形成.掺杂器件在不同的外加电场作用下发生发光层位置的移动，通过调节外加电场，可以获得从绿光到蓝光的可见光发射.当外加电压大于7V时，掺杂器件的蓝色发光亮度达到1650cd/m²，推测其中可能存在从PVK到PFC的能量传递过程.     

量子限制受主远红外电致发光器件的制备与测量

采用分子束外延技术生长GaAs/AlAs三量子阱,并在中间的GaAs阱中δ-掺杂浅受主杂质Be原子,制作出量子限制受主远红外Teraherz原型电致发光器件.实验上测量得到4.5 K时器件的电致发光谱（EL）和电传输特性（I-V曲线）.在EL发射谱中清楚地观察到222 cm^-1处宽的尖峰,这来源于Be受主奇宇称激发态到其基态的辐射跃迁,而非辐射弛豫过程则使发射谱的信号很弱.另外在I-V曲线中072和186 V的位置出现两个共振隧道贯穿现象,分别对应于中间δ-掺杂量子阱受主能级1s_3/2(Γ₆+Γ₇)到左边非掺GaAs量子阱中HH带,及右边非掺杂GaAs量子阱中HH重空穴带到中间掺杂GaAs量子阱中Be受主杂质原子奇宇称激发态2p_5/2(Γ₆+Γ₇)能级的共振隧穿.     

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

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_x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:MoO_x(3:1)(30 nm)/CuPc(20 nm)/C₆₀(40 nm)/4,7-二苯 基-1,10-菲罗啉 (Bphen)(8 nm)/LiF(0.8 nm)/Al(100 nm)的器件, 在AM1.5 (100 mW/cm²)模拟太阳光的照射条件下, 开路电压V_oc=0.40 V, 短路电流J_sc=6.59 mA/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(20 nm)/C₆₀(40 nm)/Bphen(8 nm)/LiF(0.8 nm)/Al(100 nm) 光电转换效率提高了38%. 研究表明, 加入m-MTDATA:MoO_x(3:1)(30 nm)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.     

Al2O3Hx(x=1—3)分子团簇的结构与光谱研究

用密度泛函理论(DFT)的B3lyp方法在6-311++g(d,p)水平上对Al₂O₃H_x(x=1—3)分子的几何构型, 电子结构, 振动频率等性质进行了系统研究. 并给出了它们可能基态结构的总能量(E_T), 零点能(E_z), 摩尔热容(C_v), 标准熵(S), 原子化能(ΔE_m), 垂直电离能(IP)及垂直电子亲和能(E_A). Al₂O₃H和Al₂O₃H₂分子可能的基态的几何构型都为平面结构. Al₂O₃H₃的两个可能为基态的几何构型都是在立体Al₂O₃(D_3h)的几何结构基础上加三个氢原子构成. 这三个分子的能量最低结构为Al₂O₃H(²A′)C_s, Al₂O₃H₂(¹A′) C_s, Al₂O₃H₃ (²A) C₁.     

ErP5O14非晶玻璃的红外量子剪裁

研究了Er_1.0P₅O₁₄铒非晶玻璃的红外量子剪裁现象. 从吸收谱和激发光谱的计算比较中肯定了Er_1.0P₅O₁₄非晶 玻璃的1537.0 nm红外荧光为多光子量子剪裁荧光. 从Er_1.0P₅O₁₄非晶玻璃的可见和红外荧光发射光谱中发现激发²H_11/2, ⁴G_11/2和⁴G_9/2能级所导致的⁴I_13/2→⁴I_15/2量子剪裁红外荧光很强;基于自发辐射速率、无辐射弛豫速率和能量传递速率等参数的计算,对其量子剪裁机理进行了分析.发现起源于基态的强下转换能量传递{²H_11/2→⁴I_9/2,⁴I_15/2→⁴I_13/2},{⁴G_11/2→⁴I_13/2, ⁴I_15/2→²H_11/2},{⁴G_9/2→⁴F_7/2,⁴I_15/2→⁴I_13/2}和{⁴G_9/2→⁴I_13/2, ⁴I_15/2→²H_11/2}是导致Er_1.0P₅O₁₄非晶玻璃具有强的三光子和四光子量子剪裁红外荧光的原因.研究结果对改善太阳能电池效率有一定意义.     

Mn4+掺杂对BiFeO3陶瓷微观结构和电学性能的影响研究

利用传统的固相反应法制备了BiFe_1-xMn_xO₃ (x= 0-0.20)陶瓷样品, 研究了不同Mn⁴⁺掺杂量对BiFeO₃陶瓷密度、物相结构、显微形貌、 介电性能和铁电性能的影响.实验结果表明:所制备的BiFe_1-xMn_xO₃ 陶瓷样品的钙钛矿主相均已形成,具有良好的晶体结构, 且在掺杂量x=0.05附近开始出现结构相变.随着Mn⁴⁺添加量的增加, 体系的相结构有从菱方钙钛矿向斜方转变的趋势,且样品电容率大幅度增大, 而介电损耗也略有增加;在测试频率为10⁴ Hz条件下, BiFe_0.85Mn_0.15O₃ (ε_r=1065)的 ε_r是纯BiFeO₃ (ε_r=50.6)的22倍; 掺杂后样品的铁电极化性能均有不同程度的提高,可能是由于Mn⁴⁺稳定性优于 Fe³⁺,高价位Mn⁴⁺进行B位替代改性BiFeO₃陶瓷, 能减少Bi³⁺挥发,抑制Fe³⁺价态波动,从而降低氧空位浓度,减小样品的电导和漏电流.     

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.     

Improvement of performance of tetraphenylporphyrin-based red organic light emitting diodes using WO3 and C60 buffer layers

One of the porphyrin derivatives, meso-tetraphenylporphyrin (TPP), has been synthesized and examined as an emitter material (EM) for efficient fluorescent red organic light-emitting diodes (OLEDs). By inserting a tungsten oxide (WO₃) layer into the interface of anode (ITO) and hole transport layer N,N′-Di-[(1-napthyl)-N,N′-diphenyl]-(1,1′-biphenyl)-4,4′-diamine (NPB) and by using fullerene (C₆₀) in contact with a LiF/Al cathode, the performance of devices was markedly improved. The current density–voltage–luminance (J–V–L) characterizations of the samples show that red OLEDs with both WO₃ and C₆₀ as buffer layers have a lower driving voltage and higher luminance compared with the devices without buffer layers. The red OLED with the configuration ITO/WO₃ (3 nm)/NPB (50 nm)/TPP (60 nm)/BPhen (30 nm)/C₆₀ (5 nm)/LiF (0.8 nm)/Al (100 nm) achieved the high luminance of 6359 cd/m² at the low driving voltage of 8 V. At a current density of 20 mA/cm², a pure red emission with CIE coordinates of (0.65; 0.35) is observed for this device. Moreover, a power efficiency of 2.07 lm/W and a current efficiency of 5.17 cd/A at 20 mA/cm² were obtained for the fabricated devices. The study of the energy level diagram of the devices revealed that the improvement in performance of the devices with buffer layers could be attributed to lowering of carrier-injecting barrier and more balanced charge injection and transport properties.     

具有Au/MoO_3空穴注入层的有机发光二极管

研究了单层MoO3(5nm)和复合Au(4nm)/MoO3(5nm)HILs对OLEDs器件性能的影响,器件结构为ITO/HIL/NPB(40nm)/Alq3(60nm)/LiF(1nm)/Al(100nm)。与单层MoO3HIL的器件相比,具有复合Au/MoO3HIL的器件具有较大的电流和亮度。这是由于Au的功函数介于ITO和MoO3之间,导致Au的引入提高了空穴的注入效率。     

Highly efficient and stable organic light-emitting diodes employing MoO3-doped perylene-3, 4, 9, 10-tetracarboxylic dianhydride as hole injection layer

We report highly efficient and stable organic light-emitting diodes (OLEDs) with MoO₃-doped perylene-3, 4, 9, 10-tetracarboxylic dianhydride (PTCDA) as hole injection layer (HIL). A green OLED with structure of ITO/20 wt% MoO₃: PTCDA/NPB/Alq₃/LiF/Al shows a long lifetime of 1012 h at the initial luminance of 2000 cd/m², which is 1.3 times more stable than that of the device with MoO₃ as HIL. The current efficiency of 4.7 cd/A and power efficiency of 3.7 lm/W at about 100 cd/m² have been obtained. The charge transfer complex between PTCDA and MoO₃ plays a decisive role in improving the performance of OLEDs.     

Co50Fe50-xSix合金的结构相变和磁性

利用实验测量和理论计算相结合的方法,研究了介于B2结构CoFe低有序合金和L2₁结构Co₂FeSi高有序合金之间的Co₅₀Fe_50-xSi_x合金的结构相变、磁相变、分子磁矩和居里温度.采用考虑Coulomb相互作用的广义梯度近似(GGA+U)方法计算了合金的能带结构.研究发现,合金出现较强的原子有序倾向,表现出较强的共价成相作用.合金的晶格常数、磁矩、居里温度随Si含量的增加而线性地降低,极限成分Co₂FeSi合金的分子磁矩和居里温度分别达到5.92μ_B和777 ℃.原子尺寸效应导致合金晶格发生变化,但并未成为居里温度和分子磁矩变化的主导因素.分子磁矩的变化符合Slater-Pauling原理,但发现原子磁矩的变化并非线性,据此提出了共价成相对磁性影响的观点.采用Stearns理论解释了居里温度的变化趋势,排除了原子间距对居里温度的主导影响作用.能带计算的结果还表明,Co₂FeSi作为半金属材料并非十分完美,可能在实际应用中会出现自旋极化率降低的问题.发现该系列合金的结构相变和磁相变随着成分的变化聚集在窄小的成分和温度范围内. 关键词： 磁性 Heusler合金 结构相变     

同时掺杂磷光和荧光染料的白色有机电致发光器件性能研究

以磷光染料Ir(piq)₂(acac)作为发光掺杂剂，掺入空穴传输性主体材料NPB中得到红色发光层，荧光材料TBP掺入到主体CBP中作为蓝色发光层，制备了结构为ITO/NPB/NPB：Ir(piq)₂(acac)/CBP/CBP：TBPe/BCP/ALq/Mg：Ag的双发光层白色有机电致发光器件.其中ALq₃、未掺杂的NPB和CBP及BCP层分别作为电子传输层、空穴传输层和激子阻挡层.实验中通过调节发光层厚度及Ir(piq)_{2关键词： 磷光 激子阻挡层 有机电致发光}     

Improved performances of the organic light-emitting devices by doping in the mixed layer

The brightness, efficiency and lifetime of organic light-emitting diodes (OLEDs) were remarkably improved by doping in a mixed layer. In this device, the emitting layer consists of a mixture of -naphthylphenybiphenyl amine (NPB), tris (8-hydroxyquinolinolate) aluminum (Alq₃) (referred to as the mixed layer) and an emissive dopant 5,6,11,12-petraphenylnaphthacene (rubrene), where the concentration of NPB declined while the concentration of Alq₃ was increased gradually in the deposition process. The device exhibited a maximum emission of 49,300 cd/m² at a destroy voltage of 35 V and a maximum efficiency of 7.96 cd/A at 10 V, respectively. The efficiency improves twofold in comparison with the conventional doped devices. Meanwhile, the device exhibited superior operational stability with a half-life time of 1000 h at a starting luminance of 1000 cd/m² by a constant current driver.     

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.     

使用PTB7作为阳极修饰层提高有机发光二极管的性能

采用poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl][3-?uoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]](PTB7)作为有机发光二极管器件的阳极修饰层,制备了结构为indium tin oxide(ITO)/PTB7(不同浓度)/N,N’-Bis(naphthalen-1-yl)-N,N’-bis(phenyl)benzidine(NPB,40 nm)/8-hydroxyquinoline(Alq3,60 nm)/LiF(1 nm)/Al的系列器件,同时研究了不同浓度的PTB7对器件性能的影响.PTB7的最佳浓度为0.25 mg/mL,器件性能得到明显的改善,起亮电压为4.3 V.当驱动电压为14.6 V时,最大亮度为45800 cd/m2,最大电流效率为9.1 cd/A.与没有PTB7修饰的器件相比,其起亮电压降低了1.9 V,最高亮度提升了78.5%.器件性能提高归因于PTB7的插入使得空穴注入和传输能力大大改善.     

利用NPB/MoO3/NpB作为空穴传输层的低驱动电压的有机发光器件

通过引入(NPB/MoO3)x/NPB作为空穴传输层,获得了低驱动电压的有机电致发光器件(OLEDs),(NPB/MoO3)x为多层结构(x为0,1和2).通过对比发现,在相同亮度下,x=1对应的器件具有最低的工作电压.这是由于在NPB和MoO3之间产生了电荷转移复合物(charge transfer,CT),这将会降低器件的空穴注入势垒,从而降低其工作电压,文中所研究器件为基于8-羟基喹啉铝(tris(8-hydroxyquino-line)aluminum,Alq3)的绿光器件.与x=0时的普通器件相比,在亮度为1 000 cd·m-2时,x=1时的工作电压降低了 0.8 V.