利用直流磁控溅射法在柔性衬底上制备ZnO: Zr新型透明导电薄膜

室温下利用直流磁控溅射法在有ZnO缓冲层的柔性衬底 PET上制备出了可见光透过率高、电阻率低的掺锆氧化锌(ZnO: Zr)透明导电薄膜,研究了厚度对ZnO: Zr薄膜结构及光电性能的影响.结果表明,ZnO: Zr薄膜为六方纤锌矿结构的多晶薄膜.实验获得ZnO: Zr薄膜的最小电阻率为2.4×10-3 Ω·cm,其霍尔迁移率为18.9 cm2·V-1·s-1 ,载流子浓度为2.3×1020 cm-3.实验制备的ZnO: Zr薄膜具有良好的附着性能,其可见光平均透过率超过92;.     

同质缓冲层对氧化铟锡薄膜特性的影响

采用射频磁控溅射法在玻璃衬底上制备出了具有不同厚度ITO同质缓冲层的ITO薄膜.利用X射线衍射、半导体特性测试仪、紫外-可见光分光光度计等测试了薄膜的特性.结果表明:与单层ITO薄膜相比,具有厚度16nm ITO同质缓冲层的ITO薄膜的电阻率下降了30;,薄膜的电阻率达到2.65×10-4 Ω·cm,可见光范围内的平均透过率为91.5;.     

薄膜厚度对ZnO:Y薄膜结构及光电特性影响

室温下采用射频磁控溅射法在玻璃衬底上制备出了具有良好附着性、低电阻率和高透过率的新型ZnO∶Y(ZnO掺杂Y2O3,简称ZnO∶Y)透明导电薄膜。研究了薄膜厚度对ZnO∶Y薄膜结构、光电特性的影响。结果表明:不同厚度的ZnO∶Y薄膜均为多晶薄膜,具有ZnO六角纤锌矿结构,最佳取向为(002)方向。随薄膜厚度增加,其电阻率减小,当薄膜厚度增至800 nm时,其电阻率为8.36×10-4Ω.cm,迁移率为15.3 cm2.V-1.s-1,载流子浓度为4.88×1020cm-3。不同厚度的薄膜在可见光范围内平均透过率均为90%以上,当薄膜厚度从200 nm增加到800 nm时,薄膜禁带宽度从3.68 eV减小到3.61 eV。     

P型ZnO薄膜的制备及其在太阳电池中的初步应用

利用超声雾化热分解技术(USP)、通过N-Al共掺的方法,在coming 7059衬底上生长出P型透明导电膜.该薄膜在可见光范围内的透过率可达到90;以上.X射线衍射的测试结果表明:P型透明导电膜具有c轴择优生长特性.通过霍耳测试得到P型ZnO薄膜的电学特性为:电阻率为4.21 Ω·cm、迁移率是0.22 cm2/(V·s)、载流子浓度为6.68×1018cm-3.此材料初步应用到微晶硅电池中,其开路电压为0.47 V.     

绒面ZnO透明导电薄膜

采用孪生ZnO (Al2 O3 ∶2 % )对靶直流磁控溅射制备高透过率、高电导率的平面ZnO薄膜 (迁移率为 5 .5 6cm2 /V·s,载流子浓度为 4 .5 7× 10 2 0 cm-3 ,电阻率为 2 .4 6× 10 -3 Ω·cm ,可见光范围 (380～ 80 0nm)平均透过率大于 85 % )。用酸腐蚀的方法 ,可以获得绒面效果 ,而反应气压对绒面效果没有影响 ,薄膜的电学特性没有变化 ,绒面对光散射作用增强 ,导致相对于平面ZnO薄膜的透过率要低一些 (可见光范围平均透过率大于 80 % )。     

溅射时间对室温沉积ITO薄膜光电性能的影响

利用对靶磁控溅射方法在尺寸为6 cm×6 cm有机玻璃衬底上室温沉积ITO透明导电氧化物薄膜,重点研究了沉积时间对于ITO薄膜导电性、可见光透光性以及红外发射特性的影响.结果发现随溅射时间延长,薄膜厚度呈线性增加;XRD分析显示薄膜逐渐由非晶结构转变为(400)与(440)取向的多晶结构;薄膜导电性能提高,电阻率整体迅速下降,在溅射时间为60 min时达到最小为2.1×10-4Ω·cm,载流子浓度达到最高值为1.2×1021 cm-3,同时薄膜红外发射率最低可达0.17;薄膜可见光透光率逐渐下降,并且在紫外光区域出现一定红移.     

磁控溅射技术室温生长氢化ZnO∶Ga薄膜及其特性研究

采用直流脉冲磁控溅射方法,在室温下生长氢化Ga掺杂ZnO薄膜(GZO/H),并通过湿法后腐蚀技术获得绒面结构.研究了室温下H2流量对薄膜结构、光电性能及表面形貌的影响.实验表明,氢化GZO(GZO/H)薄膜具有良好的(002)晶面择优取向生长,引入适当流量的H2可以有效提高薄膜的电学特性,GZO/H薄膜具有更低的电阻率以及较高的迁移率和载流子浓度.当通入H2流量为6 sccm时,薄膜电阻率为6.8 ×10-4 Ω·cm,Hall迁移率达34.2 cm2/Ⅴ·s,制备的GZO/H薄膜可见光区域平均透过率优于85;.此外,研究了H2流量对湿法腐蚀后绒面GZO/H薄膜表面形貌的影响,提出了一种薄膜绒面结构形成过程模型.     

工作气压对磁控溅射ITO薄膜性能的影响

工作气压在ITO薄膜的制备过程中是一个重要的工艺参数,直接决定着薄膜的性能.本文利用射频磁控溅射方法,采用氧化铟锡陶瓷靶材,在衬底温度为175℃,工作气压范围为0.45～1.0 Pa条件下,制备了氧化铟锡透明导电薄膜.研究了工作气压对其微观结构、表面形貌和光电特性的影响.在衬底温度为175℃、纯氩气中制备的氧化铟锡薄膜电阻率为3.04 ×10-4 Ω·cm、可见光波段(400～800 nm)透过率为91.9;,适合用作异质结太阳电池的前电极和减反射膜.     

孪生对靶直流磁控溅射制备ZnO:Al薄膜及其特性研究

本文以ZnO:A l(ZAO)陶瓷为靶材,采用孪生对靶直流磁控溅射工艺在玻璃衬底上制备出高质量的铝掺杂氧化锌透明导电膜,研究了该薄膜的结构、光电及力学特性。采用孪生对靶制备ZAO薄膜可使样品避开等离子体直接轰击,减少基底薄膜的损伤。制备的薄膜具有结晶程度高、电阻率低、迁移率高等优点。ZAO薄膜的最低电阻率达到了4.47×10-4Ω.cm,在可见光区的平均透过率达到85%以上,非常适合做为铜铟硒(C IS)薄膜太阳电池窗口层。     

靶与衬底之间的距离对ZnO∶Zr透明导电薄膜性能的影响

利用直流磁控溅射法在室温玻璃衬底上制备出了可见光透过率高、电阻率低的掺锆氧化锌(ZnO∶Zr)透明导电薄膜。并系统地研究了靶与衬底之间的距离对ZnO∶Zr薄膜结构、形貌、光学及电学性能的影响。实验结果表明,靶与衬底之间的距离对ZnO∶Zr薄膜的生长速率、结晶质量及电学性能有很大影响,而对其光学性能影响不大。实验制备的ZnO∶Zr为六方纤锌矿结构的多晶薄膜,且具有垂直于衬底方向的c轴择优取向。当靶与衬底之间的距离从60 mm减小到50 mm时,薄膜的晶化程度提高、晶粒尺寸增大,薄膜的电阻率减小;然而,当距离继续减小时,薄膜的晶化程度降低、晶粒尺寸减小,薄膜的电阻率增大。当靶与衬底之间的距离为50 mm时,薄膜的电阻率达到最小值4.2×10-4Ω.cm,其可见光透过率超过95%。实验制备的ZnO∶Zr薄膜可以用作薄膜太阳能电池和液晶显示器的透明电极。     

Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−

Triethyl ammonium Salt of O,O′-bis(p-tolyl)dithiophosphate and O,O′-bis(m-tolyl)dithiophosphate have been obtained by reaction of p- and m-cresol, respectively with P₂S₅ in toluene and have been characterized by elemental analysis, IR, ¹H and ³¹P NMR spectroscopy. The molecular structure of O,O′-bis(p-tolyl)dithiophosphate has been determined. Crystal data: [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻: Monoclinic, P2₁/c, a=15.2441(9) ?, b=10.415(2) ?, c=3.9726(9) ?, β=91.709(7)°, V=2217.5(1) ?⁻³, Z=4.Supplementary materials Additional material available from the Cambridge Crystallographic Data Centre (CCDC no. 600927 for [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻ comprises the final atomic coordinates for all atoms, thermal parameters, and a complete listing of bond distances and angles. Copies of this information may be obtained free of charge on application to The Director, 12 Union Road, Cambridge CB2 2EZ, UK (fax: +44-1223-336033; email: deposit@ccdc.cam.ac.uk or www:http://www.ccdc.cam.ac.uk).     

Crystal structure of Zn4Na(OH)6SO4Cl·6H2O

The structure of Zn₄Na(OH)₆SO₄Cl·6H₂O, a secondary mineral from Hettstedt, Germany, was determined by single-crystal X-ray diffraction. The crystals are hexagonal,a=8.413(8),c=13.095(24) Å, space group $P\bar 3$ , Z=2. The structure was refined to R=0.0554 and R_w=0.0903 for 970 reflections with I≥3σ(I). The structure can be described as zinc hydroxide layers perpendicular toc, from which sulfates and chlorides extend. The layers are held together by a system of hydrogen bonds involving hexaaquo Na⁺ ions which occupy the interlayer space.     

Synthesis and Crystal Structure of 5-[2-(6-bromonaphthalenyloxymethyl)]-3-(4-morpholinomethyl)-1,3,4-oxadiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

Abstract  The title compound, C₁₈H₁₈BrN₃O₃S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal] reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these angles which therefore play a role in stabilizing crystal packing. Graphical Abstract  Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C₁₈H₁₈BrN₃O₃S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal structure of irisolidone from the flowers of Pueraia lobata

Irisolidone (5,7-dihydroxy-6,4′-dimethoxyisoflavone) was isolated from the flowers of Pueraia lobata and its crystal structure was examined by X-ray single crystal diffraction. The crystal structure of irisolidone is monoclinic, space group P2₁/c with a = 15.491(9) ?, b = 7.895(4) ?, c = 13.321(7) ?, β = 110.546(9)° and Z = 4. Hydrogen bonding and aromatic π–π stacking assemble the title compound into a three-dimensional networking structure.     

Synthesis of spinacine and spinacine derivatives: crystal and molecular structures of Nπ-hydroxymethyl spinacine and Nα-methyl spinaceamine

The natural amino acid L-Spinacine (4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid) has been synthesized following a new pathway which gives a chemically and optically pure product with an excellent yield. The crystal structures of a synthetic intermediate, N^π-hydroxymethyl-spinacine, and a spinacine derivative, N^α-methyl-spinaceamine, have been investigated through X-ray diffraction: Spi(πMeOH)·H₂O, monoclinicP2 _i,a=8.571(1),b=6.682(1),c=8.588(1) Å, and β=94.67(1)^o. Spm(αMe)·2HCl·H₂O, triclinicP l,a=7.492(4),b=10.799(3),c=7.040(2) Å, α=91.88(2), β=98.36(3) and γ=73.34(3)^o. Spi(πMeOH) crystallizes with a water molecule and displays a zwitterionic character. The carboxylate group is in equatorial position and forms a short electrostatic interaction of 2.618(2) Å between one of its oxygens and the protonated nitrogen of the tetrahydropyridine ring. The crystal packing is assured by strong O?H???O, O?H???N, N?H???N intermolecular hydrogen bonds and C?H???O close contacts. The biprotonated compounds Spm(αMe) crystallizes with two Cl^? anions and a water molecule. The positive charge on the imidazole ring is delocalized on the conjugated moiety N=C?N. The crystal is built up by clusters formed by two biprotonated Spm(αMe) molecules, four Cl^? anions and two water molecules linked together by hydrogen bonds.     

X-ray Crystal Structures of [Et3NH][{(CO)5Mo(P(OCH2CMe2CH2O)O)}2H] and (CO)5Mo{μ-Ph2POPPh2}Mo(CO)5, Two Complexes Derived from the Hydrolysis of Coordinated Chloro-Phosphorous-Donor Ligands

Abstract X-ray crystal structures of [Et₃NH][{(CO)₅Mo(P(OCH₂CMe₂CH₂O)O)}₂H], 3, and (CO)₅Mo{μ-Ph₂POPPh₂}Mo(CO)₅, 2, are reported. Crystallization of 3 occurs in P-1 space group with a = 9.6944(19) ?, b = 10.814(2) ?, c = 19.730(4) ?, α = 94.24(3)°, β = 92.23(3)°, γ = 113.47(3)°, Z = 4. Crystallization of 2 occurs in C2/c space group with a = 10.357(2) ?, b = 20.149(4) ?, c = 17.155(3) ?, α = 90°, β = 97.28(3)°, γ = 90°, Z = 8. Compound 2 is a bimetallic complex with a P–O–P bridging group containing bond distances similar to that of other complexes in which two metal centers are bridged by a single R₂POPR₂ ligand. Compound 3 contains intermolecular hydrogen bonded P–O–H–O–P linkages with bond distances comparable to those seen in similar structures with intramolecular hydrogen bonding suggesting that the distance is a function of the nature of the bond and not affected by the cis arrangement of the ligands about the metal center. Graphical abstract X-ray Crystal Structures of [Et ₃ NH][{(CO) ₅ Mo(P(OCH ₂ CMe ₂ CH ₂ O) O)} ₂ H] and (CO) ₅ Mo{μ-Ph ₂ POPPh ₂ }Mo(CO) ₅ , Two Complexes Derived from the Hydrolysis of Coordinated Chloro-Phosphorous-Donor Ligands Samuel B. Owens Jr., Abha A. Kaisare and Gary M. Gray X-ray crystal structures of [Et₃NH][{(CO)₅Mo(P(OCH₂CMe₂CH₂O)O)}₂H], 3, and (CO)₅Mo{μ-Ph₂POPPh₂}Mo(CO)₅, 2, have been determined.      

Preparation,spectral studies and X-ray crystal structure of 1,3,5-triphenyl-1,5-pentanedione,C23H20O2

1,3,5-triphenyl-1,5-pentanedione, C₂₃H₂₀O₂, has been prepared and characterized by spectroscopic methods and single crystal X-ray analysis. Crystals are monoclinic, space groupP2₁/n, a=28.124(4),b=5.997(1),c=10.434(1)Å, -98.42(1)Å,Z=4. The structure has been refined to a finalR-value of 0.040 for 1625 reflections withF _o>3(F _o). The compound contains the two carbonyl groups in a mutuallycis arrangement.     

Isotope Effects in Liquid Crystal Systems: I: Phase Relationships in the Dodecylamine-H2O,Dodecylamine-D2O Systems

The phase diagrams and heats of fusion and transition have been determined for the dodecyl amine (-NH₂)/H₂O and dodecyl amine (-ND₂)/D₂O systems using direct optical observation and differential scanning calorimetry.     

Spherulitic crystallization of β‐In2Te3 by physical vapour deposition

Different morphologies of indium telluride (In₂Te₃) including novel spherulites were crystallized using the physical vapour deposition (PVD) method, by varying the difference in the growth and source zone temperature (ΔT) of a dual zone horizontal furnace assembled indigenously. Whiskers and kinked needles of In₂Te₃were grown at ΔT = 250 K and 300 K respectively, maintaining the growth zone at 500 °C. At high supersaturation (Δ T = 400 K), spherulitic crystals were obtained. The stoichiometric composition of these crystals has been confirmed using energy dispersive analysis by x‐rays (EDAX). The structure of β‐In₂Te₃ spherulitic crystals is identified as zinc blende with lattice parameter a = 6.159 Å, from x‐ray diffraction (XRD) studies. The scanning electron microscope (SEM) images revealed the radial structure of the grown spherulites. The growth mechanism for the spherulitic crystallization of β‐In₂Te₃ crystals has been discussed based on the theoretical models. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)