价态和结构对VO2薄膜热致相变光电性能的影响

本文通过合理控制真空还原时间和真空还原温度,利用真空还原V2O5的方法制备出具有优良热致相变性能的VO2薄膜;通过研究不同真空还原时间及真空退火温度对VO2薄膜结构和热致相变过程中光电性能的影响,得到最佳真空还原参数;制备的薄膜高／低温电阻变化最大达3个数量级;900nm波长光透过率在相变前后改变了40％左右,光学特性相变响应参数较大,热致相变性能优良,利用XPS,XRD对不同条件制备薄膜的化学状态和结晶状态进行了研究,结果表明较低温度退火有利于V^5 离子的还原,而升高退火温度可改善结晶状态,退火时间对VO2中结晶状况和V离子价态有显著影响,讨论了离子价态和样品结晶状态对VO2薄膜热相变过程中热滞回线的宽度,相变温度点的影响。     

O2/(O2+Ar)流量比对ZnO-0.25mol; V2O5薄膜缺陷类型的影响

利用射频磁控溅射技术在玻璃衬底上沉积ZnO-0.25mol; V2O5(ZnO∶V)薄膜,研究了O2/(O2+Ar)流量比(0;~87.5;)对ZnO∶V薄膜中缺陷的影响.研究结果表明:沉积的ZnO∶V薄膜为具有c轴取向的纤锌矿结构,V以五价和四价形式共存其中.ZnO∶V薄膜中的缺陷态为氧空位(VO)和间隙锌(Zni)杂化形成的复合体,两者比例随O2/(O2+Ar)流量比而变化.     

掺杂VO2薄膜的相变机理和光电特性研究

本文采用V2O5粉和MoO3粉为原料,通过无机溶胶-凝胶法制备掺Mo6+的VO2薄膜.实验采用XRD和XPS等研究手段,对掺杂薄膜的物相组成、价态、相变温度、电阻突变量级和相变前后的光透过率进行了测试.结果发现:所制备的掺杂薄膜其主要成份是VO2,掺入的MoO3结构未发生改变,掺杂薄膜随MoO3含量的增加其相变温度明显下降,但其电阻突变量级和光透过率的突变量亦随之降低,其中,电阻突变量级的下降趋势更显著,不过只要MoO3掺杂量不高于5;时,掺杂薄膜的电阻突变仍可保持2个量级以上,而且红外光透过率的突变量仍保持较高.分析认为,薄膜中掺入的MoO3与VO2可以互溶,从而可作为施主组元降低VO2能带结构中的禁带宽度,改变其光电特性.     

XPS研究N-Al共掺p型ZnO薄膜的传导特性

采用螺旋波等离子体辅助射频磁控溅射技术,在α-Al2 O3衬底上制备了N-Al共掺ZnO薄膜样品.Hall测量表明室温下ZnAlO∶N薄膜为n型传导,在O2等离子体气氛中550℃退火后变为p型.p型ZnO薄膜的载流子浓度为2.1×1016 cm-3,霍尔迁移率为5 cm2/V·s.用X射线光电子能谱仪(XPS)对退火前后的ZnO薄膜进行了各元素的化学态分析.XPS结果表明,ZnAlO∶N薄膜中存在两种与N元素有关的缺陷,N原子替代O位形成的(N)o和N分子替代O位形成的(N2)o.退火后ZnAlO∶N薄膜中(N2)o缺陷减少,(N)o缺陷浓度占优导致了薄膜传导类型转变.     

Sol-gel法制备掺钕钛酸铅铁电薄膜

采用sol-gel法在P型Si(111)衬底上制备了Pb0.85Nd0.1TiO3(PNT) 薄膜.用X射线衍射技术研究了退火温度对薄膜结构和结晶性的影响.同时还研究了薄膜的介电、铁电和绝缘性能.结果发现在600℃下退火1h的PNT薄膜呈钙钛矿结构;在0～5V范围内,薄膜的漏电流密度小于1.00×10-5A/cm2;在±5V的偏压范围内,C-V记忆窗口宽度为2V;在零电压下,时间保持长达105～106s; 在室温100kHz下,其介电常数为31.60,介电损耗为0.12.     

生长正钒酸钙晶体Ca3(VO4)2的原料制备

本文报道了Ca3(VO4)2晶体生长时原料组分的选择,指出相图上CaO质量分数的范围在36;～40;是合理的生长区间.讨论了合成原料的合理方式,采用CaCO3与V2O5直接合成的方法能够避免采用CaO或Ca(OH)2与V2O5进行合成时原料与空气中的H2O及CO2反应,影响称量准确性的问题.详细地给出了光加热浮动熔区法和提拉法生长Ca3(VO4)2晶体时原料的制备工艺.采用光加热浮动熔区法时用9MPa压力制棒,采用两步法烧结:850℃×8h→1200℃×8h.在提拉法生长晶体时采用球磨机湿混料、80℃烘干、20MPa压力下压料饼,也采用两步法烧结:850℃×8h→1200℃×8h.     

掺杂VO2(B)粉体的水热晶化动力学研究

采用水热法合成了一系列掺杂VO2(B)粉体,并利用XRD对产物的水热晶化过程进行了研究.研究结果表明:元素W和Mo是以W6+和Mo6+的形式替代了部分V4+的位置,与VO2(B)形成了固溶体.掺杂VO2(B)粉体的水热晶化过程是由V2O5·3H2O逐渐向晶体VO2(B)转变的自发成核过程,晶体的生长是速率控制步骤.在水热条件为100 ℃×4 h+140 ℃×20 h+180 ℃×(20~24 h)时,计算得到的掺杂VO2粉体的成核诱导期为18.7 h,表观成核速率为0.0535 h-1,表观晶体生长速率为5.3 h-1.     

后退火气氛对磁控溅射制备β-Ga2O3薄膜材料的影响

近年来,宽禁带半导体材料β-Ga2 O3越来越多地受到关注,在材料制备、掺杂、刻蚀等方面都有广泛研究.射频磁控溅射是常用的β-Ga2 O3薄膜制备方法之一,后退火处理往往是提高薄膜质量的关键工艺步骤.本文研究后退火工艺中退火温度和退火气氛对射频磁控溅射在C面蓝宝石基底上制备得到的β-Ga2 O3薄膜材料的影响.X射线衍...     

掺杂VO2薄膜的相变机理和研究进展

掺杂VO2薄膜是一种具有相变特性的功能材料,具有广阔的应用前景.本文综述了掺杂VO2薄膜的相变机理、制备方法和应用前景,并指出掺杂VO2薄膜的发展趋势,以期更好地探讨掺杂VO2薄膜的应用研究.     

氧化钽薄膜的结构、成份和介电性能研究

采用直流磁控反应溅射技术制备氧化钽薄膜,重点研究了溅射气体中Ar:O2比例和退火温度对样品的结构.成份和介电性能的影响.XRD、XPS和介电谱分析表明:Ar:O2比例对薄膜的结晶性能和薄膜中O/Ta原子比有较大影响,但对薄膜的介电性能没有明显的影响.900℃退火后,XRD谱中出现明显的β-Ta2O5(001)和(200)衍射峰;介电损耗谱表明介质的损耗是由微弱的电导产生的,漏电电流在损耗中占主导地位.     

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).     

First-principles coexistence simulations of supercooled liquid silicon

We perform first-principles coexistence simulations of the low-density and the high-density phases of supercooled liquid silicon and find a negative slope for the coexisting line in the temperature-pressure plane. Electron density maps and electron-localization function plots of the two phases of silicon show marked differences. The calculated differences suggest more localized electrons in the low-density liquid compared to the high-density liquid, coming from an increased population of covalent bonds, which further explain the calculated negative slope in the two phase coexistence regime. This is consistent with the presence of a pseudo-gap in low-density liquid silicon, absent in the high-density liquid which shows a metallic behavior.     

Crystal structures of thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane

Structures of both thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane, ?C₆H₄?CH₂SCH₂?C₆H₁₀?CH₂SCH₂?, have been determined, wherecis andtrans refer to the attachments to the cyclohexane ring. Thecis form crystallizes in the monoclinic space groupP2₁/c witha=8.4299(11)Å,b=21.772(2)Å,c=8.9724(13)Å, β=116.574(11)^o, andZ=4. Thetrans isomer packs into the monoclinic space groupP2₁ witha=8.159(16)Å,b=10.185(5)Å,c=9.558(2)Å, β=112.435(18)^o, andZ=2. The cyclohexane ring of thecis isomer is in the chair conformation, while the cyclohexane of thetrans isomer is found in a twisted boat conformation.     

CTAB与SDBS对碳酸锶粒子生长形态调控及机理研究

以表面活性剂CTAB和SDBS为化学添加剂,采用化学共沉淀法对碳酸锶晶体的生长形态进行调控,成功地制备出了实心的树枝状和花瓣为空心的花状碳酸锶粉体,并用X射线衍射(XRD)、扫描电子显微镜(SEM)和傅里叶变换红外光谱(FT-IR)等分析手段对样品进行了表征;最后重点对化学添加剂可能产生的影响机理进行了初步的探讨.结果表明,CTAB和SDBS在晶体生长的过程中能起到显著的影响作用,两者对粒子分散性能的作用效果相反,而且后者对晶体(013)和(213)晶面表面能降低的贡献明显大于前者.     

Crystal structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane

Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.1^5,9.2^13,16.1^20,24] hexatriaconta-5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-trans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P2₁/a with a = 10.485(3)Å, b = 10.3956(18)Å, c = 14.1343(10)Å, = 105.200(13)°, Z = 2 and refined to an R factor of 0.046. The trans isomer crystallizes in the monoclinic space group P2₁/c with a = 10.7217(12)Å, b = 5.6797(7)Å, c = 25.415(5)Å, = 96.001(12)°, Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans structure the cyclohexane rings face one another.     

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.     

电沉积法制备ZnO纳米棒阵列及其发光特性

本文以掺F的SnO2导电玻璃为基板,以硝酸锌水溶液为电解液,采用三电极恒电位体系电沉积制备ZnO纳米棒阵列,系统考察了硝酸锌浓度和沉积电位等工艺参数对ZnO纳米棒阵列的微观形貌及其发光性能的影响规律.结果表明,硝酸锌浓度和沉积电位对纳米棒阵列的形貌有显著影响,控制适宜的工艺条件可以制备出直径分布均匀、结晶性好且纯度高的六方纤锌矿ZnO纳米棒阵列.荧光光谱分析表明,电沉积制备出的ZnO纳米棒阵列在385 nm附近有一个强荧光发射峰,且发光性能稳定、对纳米棒阵列微观形貌的细微变化不敏感,使其在发光二极管和激光器等领域具有广阔的应用前景.     

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.