NiO为空穴传输层的量子点发光二极管及其性能

采用溶液法制备NiO纳米晶,利用XRD、TEM、UPS表征样品并将其应用于结构为ITO/NiO/PVK/ QDs/ZnO/Ag的量子点发光二极管(QLED)中.XPS测试表明紫外臭氧处理可诱导NiO晶格内部产生Ni3+离子,通过引入多次旋涂和多次紫外臭氧处理相结合的工艺,获得Ni3离子含量增多且分布均匀的NiO薄膜.研究结果显示:随着旋涂NiO次数的增加,器件性能呈现出逐渐改善趋势,当旋涂4次时,器件获得最佳效果,其中最佳发光强度从184cd/m2提高到4775 cd/m2,最大电流效率为0.54 cd/A,最大外量子效率为0.22;,与未改善的单层NiO基QLED相比,均提高超过50倍.     

有机电致发光器件(OLED)的制备方法和工艺

有机发光器件经过40年的发展,特别是在近年,具有理想特性的有机电致发光器件(OLED)成为研究开发的热点.由于OLED具有超轻薄、低成本、低功耗、宽视角、全固化、自发光、驱动电压低(3～12V) 及可实现柔软显示等诸多突出的性能,OLED将成为很有前途的新一代的平板显示技术.本文首先回顾了有机电致发光显示器件的发展历史,对有机材料、发展现状和趋势等都做了简要的概括.然后对当前先进的OLED器件结构、显示的发光机理,特别是对实现全彩显示的方法及制备工艺进行了详细的描述.     

LiF对柔性有机电致发光器件性能的影响

利用真空蒸镀方法,在PET柔性衬底上制备了有机电致发光器件.分析了玻璃和柔性衬底器件的电压、电流和亮度特性,重点讨论LiF层对器件性能的影响、柔性衬底上器件的失效机理,以及器件性能随时间衰减现象.实验结果表明,相同条件下,LiF层的加入能降低器件的开启电压,从7 V降至5.5 V;柔性衬底与界面容易形成缺陷,影响器件的寿命.     

Synthesis, Crystal Structure and ab initio Studies of Cyclohexyl N-Phenylcarbamate

Abstract  

Cyclohexyl N-phenylcarbamate, C₁₃H₁₇NO₂ (I), which is a useful target for biotransformations by fungi, has been synthesized and the structure has been solved by X-ray diffraction. The crystals are triclinic, space group P [`1] bar{1} , with a = 5.2581 (2) ?, b = 9.5080 (3) ?, c = 12.6165 (4) ?, α = 70.544 (2)°, β = 89.075 (2)°, γ = 80.447 (2)°, M _r = 219.28, V = 585.96 (3) ?³, Z = 2 and R = 0.065. In the title compound the phenyl ring makes a dihedral angle of 30.68(7)° with the carbamate group The molecules are linked into infinite chains via N–H···O hydrogen bonds along the a axis. These hydrogen-bonded chains are further linked by weaker C–H···π interactions. Quantum-mechanical ab initio calculations for the free molecule reproduce well the observed bond lengths and valency angles but show that the crystal packing might be responsible for the rotation of the phenyl ring out of the carbamate plane in the solid state conformation.     

一例含阴离子水簇的钴配合物的合成、结构及理论研究

金属配合物中的水簇研究为研究宏观意义上的水以及与蛋白质分子有关的水分子提供了有效途径。本文合成了一个含有阴离子水簇的带状超分子配合物[Co(2,2-bipy)₂(N₃)₂](N₃)_0.5Cl_0.5·2H₂O(1,2, 2-bipy=2, 2-联吡啶)。单晶结构解析表明,配合物属于三斜晶系,P-1空间群,晶胞参数为:a=0.822 54(7) nm,b=1.175 58(9) nm,c=1.237 06(10) nm,α=91.379 0(10)°,β=92.151 0(10)°,γ=108.119 0(10)°,V=1.135 27(16) nm³,由一个单核[Co(2,2-bipy)₂(N₃)₂]⁺配合物阳离子、两个非配位水分子、0.5个游离的叠氮离子和0.5个氯离子组成,叠氮离子和氯离子位置无序,占有率各为50%。两个客体水分子通过强烈的分子间氢键作用形成了环状水四聚体,且与无序的N^-₃和Cl^-通过氢键作用形成了一个[(H₂O)₄(N₃)Cl]^2- 阴离子水簇。此外,本文基于密度泛函理论(DFT)对配合物[Co(2,2-bipy)₂(N₃)₂]⁺阳离子进行了量子化学计算,分析了其单点能和原子电荷,并计算了中心金属离子的氧化态,计算结果与实验相吻合。     

Efficient Charge Balance of Green Organic Light Emitting Diodes Using Mixed Charge Transporting Materials as the Host

The mixed layer for an emitting layer (EML) consists of two materials 4,4′,4′′-tris(N-carbazolyl)-triphenylamine (TCTA) and 1,3,5-tris(N-phenylbenzimidazole-2-yl)benzene (TPBi) without host material. A series of EML structures were fabricated with three types of single mixed layers (mixing ratio 2:1, 1:2) and double mixed layers (mixing ratio 2:1/1:2), and the EML of using double mixed layer was optimized. The maximum luminous efficiency (LE) and quantum efficiency (QE) were 62.07 cd/A, 18.92%, respectively. Moreover, the roll-off ratio of LE was 20.42% at 20,000 cd/m². Interestingly, this result shows the roll-off ratio was reduced roughly 50% compared to the reference device.     

Crystal Structure and Synthesis of Three New Steroidal Derivatives as Antiandrogens

Abstract  

The structures of 3β-cyclobutyl carbonyloxy-5-androsten-17-one (C₂₄H₃₄O₃), compound 1; 3β-cyclopentyl carbonyloxy-5-androsten-17-one (C₂₅H₃₆O₃), compound 2; and 3β-cyclohexyl carbonyloxy-5-androsten-17-one (C₂₆H₃₈O₃) compound 3 were established by spectral and X-ray diffraction studies. Steroidal derivatives 1–3 exhibited a high antiandrogenic effect and could be considered as potential drugs for the treatment of prostate cancer. Compound 1 crystallizes in the orthorhombic space group P2₁2₁2₁ with unit cell parameters a = 6.618(2), β = 14.167(3), c = 22.329(5) ?, Z = 4. Compound 2 crystallizes in the orthorhombic space group P2₁2₁2₁ with unit cell parameters a = 6.631(2), b = 13.865(4), c = 23.952(7) ?, Z = 4. Compound 3 crystallizes in the orthorhombic space group P2₁2₁2₁ with unit cell parameters a = 6.6100(9), b = 13.896(2), c = 24.491(3) ?, Z = 4. All three structures (1–3) were solved by direct methods and refined to R = 0.0708, 0.0750 and 0.0496, respectively. For compound 2, there is positional disorder of the side chain at C3. All the rings of both steroid skeletons are trans connected. For structures 1–3, the six-membered rings A, B and C have a deformed chair, half chair and deformed chair conformations. The five-membered rings D adopt an intermediate envelope and half-chair conformations. For structure 2, the five-membered rings E and EA have a deformed envelope and an intermediate envelope and half-chair conformations, respectively. For structure 3, the six-membered ring E adopts a deformed chair conformation. Cohesion of the crystals can be attributed to van der Waals and weak C–H⋯O interactions.     

奥沙拉秦钙配合物的合成、结构及表征

本文通过CaCl2·2H2O与药物奥沙拉秦及辅助配体邻菲罗啉在水热条件下得到了一个新的奥沙拉秦配合物[ Ca(L) (Phen)·4(H2O)]n(H2L=奥沙拉秦=3,3-azo-bis-6-hydroxybenzoic acid)(1).通过元素分析、红外对配合物进行了表征,并利用X单晶射线衍射仪测定了其结构.结构解析表明,配合物1属三斜晶系,空间群P-1,晶胞参数a=0.8001 (3) nm,b=1.1245(4) nm,c=1.5129(6) nm,α=89.450(6)°,β=86.297(6)°,γ=77.633(6)°,V=1.3268(9) nm3,Z=2,F(000) =636,最终偏差因子(对Ⅰ＞2σ(Ⅰ)的衍射点),R1=0.0521,wR2 =0.1538,S=1.045.在该结构中,中心Ca(Ⅱ)离子周围形成了一个稍微扭曲的五角双锥体,分别与一个来自奥沙拉秦配体的羧基氧原子(单齿)、两个邻菲罗啉中的两个N原子和四个水分子配位.     

Synthesis,Structure and Electrical Conductivity of (BEDT-TTF)X(BrO4)Y Organic Metals

The electrochemical oxidation of BEDT-TTF (bis(ethylenedithio)-tetrathiafulvalene) in 1,1,2-trichloroethane solution in the presence of (n-Bu4N)Br04 as supporting electrolyte produces three distinct morphologies: needles, thick plates, and thin plates. These crystal habits have been identified with different crystallographic phases: needles as (BEDT-TTF) ₂Br04, thick plates as (BEDT-TTF)₂(Br0₄)(TCE)_0.5, and thin plates as (BEDT-TTF)₃(Br04)₂. The structural characterization and conductivity for these materials is presented.     

Synthesis and Characterization of Violet Light Emitting Polymer based on Fluorene and Dimethylsilane

New fluorene based light emitting polymer, poly[(4-(9,9-didecyl-9H-fluoren-2-yl) phenyl)dimethyl(phenyl)silane] (PFDPS), was synthesized by palladium-catalzed Suzuki coupling reaction. The obtained copolymer was characterized by ¹H-NMR, and IR-spectroscopy. The polymer showed good solubility in common organic solvents and weight average molecular weight of 16,300 with polydispersity index of 1.4. The maximum photoluminescence of the solution and film of the polymer was observed at 392 nm and 410 nm, respectively.

The double-layered device with the configuration, ITO/PEDOT/PFDPS/LiF/Al structure has a turn-on voltage at about 5.5 V and maximum brightness of 9.40 cd/m², and emitted violet light at 414 nm.     

Synthesis,Crystal Structure and Spectroscopy of 3,4-Perylene-dicarboxylic Monoanhydride

The preparation, via a chemical vapor deposition process, of metallic-green whiskers of 3,4-perylenedicarboxylic monoanhydride (PDCMA), is described. The crystal structure and the electronic, infrared and resonance-enhanced Raman spectra of the PDCMA crystals are reported and compared with the corresponding data for the dianhydride, PTCDA. Interesting differences in the spectroscopy of PDCMA compared with that of PTCDA have been found. This has been correlated with the somewhat increased charge delocalization in PDCMA caused by the packing of the molecules in the crystal. The application of some of these results in characterizing the partly solid state, heat-induced polymerization of PTCDA to the intrinsically conducting polymer, polyperinaphthalene, is also pointed out.     

Synthesis,Single Crystal Structure and Characterization of N-Benzylmethylammonium Trifluoromethanesulfonate

Crystallography Reports - The title compound, C9H12NO3F3S, was synthesized and characterized by elemental analyses, IR spectroscopy, thermogravimetric analysis and single crystal X-ray diffraction....     

Novel Indole-Pyrazine Alkaloid: Synthesis,Characterization, and Crystal Structure

Crystallography Reports - A heterocyclic molecule of a novel class with a multiple ring system has been synthesized using a new and simple strategy and acetic acid as catalyst. The structure of the...     

Synthesis and Crystal Structure of NdCaGaO4

The crystal structure of the NdCaGaO₄ compound was investigated by means of X-ray structure analysis (powder diffractometer HZG-4, CuK_α): structure type LaCuO₄, space group Cmca, a = 5.3700(2) Å, b = 12.1058(3) Å, c = 5.3937(2) Å, Z = 4, R_I = 0.126. The shortest interatomic distances are: Nd(Ca)—O — 2.240(14) Å; Ga—O — 1.913(2) Å, O—O — 2.6852(2) Å, Nd(Ca)—Nd(Ca) — 3.442(3) Å, Nd(Ca)—Ga — 3.154(4) Å, Ga—Ga — 3.8056(2) Å. Atoms have the following coordination numbers: Nd(Ca) — 8; Ga — 6; O1 — 14(6); O2 — 9(5).