Al2O3衬底上生长ZnO薄膜的结构和光学特性

用脉冲激光沉积法在Al2O3(0001)衬底上沉积了ZnO薄膜.衬底温度分别为300℃、400℃、500℃、600℃和700℃.利用X射线衍射(XRD)和光致发光谱(PL)对薄膜的结构和光学性能进行研究.X射线衍射的结果表明在不同温度下生长的ZnO薄膜均具有高度c轴择优取向,衬底温度400℃时,膜的应力较小质量较高.ZnO薄膜有很强的紫外发光峰,紫外发光峰的强度与衬底温度密切相关,并发现当衬底温度从300℃增到400℃时,紫外发射峰出现6nm的蓝移.     

不同缓冲层对ZnO薄膜的性能影响

用射频反应磁控溅射法在玻璃基底上分别以SnO2、SiO2和Al2O3为缓冲层制备ZnO薄膜.利用X射线衍射仪(XRD)、扫描电镜(SEM)、紫外-可见分光光度计和荧光分光光度计对薄膜的结构和光学性能进行了表征.XRD和SEM的分析结果表明,在SiO2和Al2O3缓冲层上生长的ZnO薄膜具有较好的c轴择优取向,薄膜表面光滑平整,薄膜的结晶质量得到改善;透射光谱表明所有样品在可见光范围内的平均透过率超过70;;通过对薄膜光致发光谱的分析,认为422 nm左右的紫峰来自于电子从晶粒边界的界面缺陷能级到价带的辐射跃迁;PL谱中蓝光和绿光的发光机制与薄膜中的本征缺陷有关.     

水热法ZnO单晶的缺陷和光学特性研究

运用电感耦合等离子体原子发射光谱仪(ICP-AES)分析了比较了水热法ZnO晶体+c及-c部分的杂质,用四探针法比较了两部分的电阻率.结果表明, 晶体+c部分杂质含量少于-c部分,且前者电阻率明显高于后者.比较了Xe灯激发下两部分的光学性质,用氧气和氢气分别对+c部分ZnO进行处理,并进一步用He-Cd激光器对晶体的光学性能进行了研究,分析表明ZnO晶体416 nm左右的蓝光发射来自导带到锌空位(VZn)浅受主能级的跃迁,490 nm的蓝绿光发射与锌填隙(Zni)有关,540 nm附近的黄绿光发射与氧填隙(Oi)形成的能级有关.     

Si(111)衬底上ZnO薄膜的磁控溅射法制备及表征

采用磁控溅射法在(111)单晶硅衬底上沉积了ZnO薄膜,并研究了退火温度对ZnO薄膜晶体质量、晶粒度大小、应力和光致发光谱的影响.X射线衍射(XRD)表明薄膜为高度c轴择优取向.不同退火温度下的ZnO薄膜应力有明显变化,应力分布最为均匀的退火温度为500℃.室温下对ZnO薄膜进行了光谱分析,可观测到明显的紫光发射(波长为380nm左右).实验结果表明,用磁控溅射法在单晶硅衬底上能获得高质量的ZnO薄膜.     

CdS量子点敏化ZnO薄膜的制备及其性能研究

本文以Zn(CH3COO)2·2H2O、CdCl2和硫脲的水溶液分别为前驱体,采用超声喷雾热解法在ITO导电玻璃上成功的制备了CdS量子点敏化ZnO薄膜(ZnO∶ CdS).通过扫描电镜(SEM),X射线衍射(XRD),光致发光(PL)谱和吸收光谱对CdS量子点敏化ZnO薄膜形貌,结构和光学性能进行了研究.SEM图表明CdS量子点已成功沉积到ZnO薄膜上,量子点呈颗粒状,直径约71 nm.XRD结果显示,除观察到原有的ZnO特征峰外,在2θ=30.3°处有一明显的特征峰,对应着CdS的(111)晶面.PL谱图表明在325 nm的光激发下,CdS量子点敏化ZnO薄膜在400 nm处有一较强的紫外发射峰,在500～700 nm处有一个较宽的黄绿发射带.吸收光谱表明,CdS量子点敏化后ZnO薄膜在可见光区的吸收边为586 nm.     

ZnO∶Er薄膜的结构和发光特性研究

本文研究了用电子束分蒸技术制备的ZnO∶Er薄膜的结构和发光特性.X射线衍射(XRD)谱表明,六角晶体结构的ZnO∶Er薄膜具有强的择优c轴取向(002).在室温下,用阴极射线激发样品,观测到强的蓝光(455nm)发射.本文认为,蓝光发射是ZnO∶Er薄膜中铒离子(Er3+)的激发态4F5/2到基态4I15/2的辐射跃迁.研究薄膜的阴极射线发光强度与电子束流的关系时发现,蓝光发射强度强烈地依赖于电子束流的大小.此外,超过阈值电子束流0.6μA,蓝光发射强度首先迅速增加,然后缓慢地增加,趋于饱和,根据瓶颈效应和稀土发光理论很好地解释了这一实验结果.     

热处理对Ni0.7Zn0.3O薄膜结构及缺陷荧光特性的影响

采用脉冲激光沉积法在Si(100)衬底上制备了Ni0.7Zn0.3O薄膜,通过热处理改变薄膜的缺陷状态,并利用X射线衍射仪、扫描电子显微镜和荧光光谱仪表征薄膜的晶体结构、表面形貌和缺陷发光特性.结果表明:沉积态薄膜为立方结构的Ni0.7Zn0.3O单相,且沿着(200)面高度取向生长.经过热处理后,薄膜形成ZnO和Ni0.7Zn0.3O两相共存的镶嵌结构.样品具有非常丰富的室温荧光光谱,其发光峰主要来自Ni0.7Zn0.3O的缺陷能级跃迁,多缺陷能级导致了多发光峰的荧光光谱.热处理引起薄膜中缺陷的种类和浓度发生变化,严重影响其发光特性.     

超声喷雾热解法制备不同掺杂浓度ZnO∶Eu薄膜

以醋酸锌,氯化铕的混合水溶液为前驱体,采用超声喷雾热解法在ITO导电玻璃衬底上制备了掺杂不同Eu浓度的ZnO∶Eu薄膜。通过扫描电镜(SEM),X射线衍射(XRD)和光致发光(PL)谱对ZnO∶Eu薄膜的形貌,结构和光学性质进行了研究。通过对比掺杂不同Eu浓度的ZnO∶Eu薄膜的结构和光学性能,可知在掺杂浓度为6mol%时薄膜的性能最好。SEM照片表明制备的ZnO∶Eu薄膜为致密的纳米颗粒薄膜,ZnO∶Eu晶粒尺寸大约在200～250 nm。XRD图谱表明当掺杂浓度为6mol%时,ZnO∶Eu薄膜具有很好的六角纤锌矿结构,且在2θ=50.47°处出现Eu2O3的衍射峰。激发光谱测试表明ZnO∶Eu薄膜在280 nm,373 nm,393 nm处有较强的紫外吸收。当用280 nm激发光激发时ZnO∶Eu薄膜在613 nm处具有较强的红光发射。     

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.     

MOCVD法在(220)CaF2衬底上生长ZnO薄膜及其性能研究

采用金属有机化学汽相沉积(MOCVD)法在(220)CaF2衬底上外延生长ZnO薄膜.利用X射线衍射(XRD)、紫外-可见光谱和光致发光谱(PL)对ZnO薄膜的结构和光学性能进行了分析.XRD结果表明,所制备的ZnO薄膜结晶性能良好,具有高度的(002)的择优取向,002衍射峰的半高宽(FMHM)为0.115°.所制备的ZnO薄膜透明,透过率超过85;.在常温的(He-Cd激光器)PL谱中,只有378.5 nm的带边发射.用同步辐射光源测试的真空紫外光谱中,在低温20K时,出现218 nm、368 nm、418 nm、554 nm发光峰,其中368 nm峰强度随着温度的升高强度逐渐下降,到常温时几乎消失.     

CsI-LiCl共晶材料的坩埚下降法生长与闪烁性能研究

本文采用坩埚下降法,在真空密封的石英坩埚中成功生长出CsI-LiCl与CsI-LiCl:Na共晶闪烁体。通过扫描电子显微镜(SEM)观察晶体微结构表明该共晶中LiCl相与CsI相存在周期性的层状排列,CsI相的厚度在5 μm左右。共晶样品的X射线激发发射谱显示在CsI-LiCl和CsI-LiCl:Na共晶样品存在缺陷发光,在CsI-LiCl样品中还观察到了纯CsI的自陷激子(STE)发光。CsI-LiCl样品在α粒子激发下的多道能谱中观察到明显的全能峰,这一结果证明CsI-LiCl共晶可用于热中子探测的潜力。     

静电纺丝法制备CeO2微纳米纤维及其除氟性能

以聚丙烯腈(PAN)为载体,六水合硝酸铈[Ce(NO₃)₃·6H₂O]为原料,采用静电纺丝法制备了Ce(NO₃)₃/PAN纤维,在空气中热处理得到CeO₂微纳米纤维,通过XRD、BET和SEM对CeO₂微纳米纤维进行表征。采用静态吸附实验探讨了CeO₂微纳米纤维去除水溶液中氟离子的性能,考察了溶液pH值、初始氟离子浓度及共存阴离子等对吸附性能的影响。结果表明,pH=3时,CeO₂微纳米纤维对F^-的吸附性能最佳,CeO₂吸附量随着F^-浓度的增大呈上升趋势。CeO₂微纳米纤维对F^-的吸附等温线遵循Langmuir模型,二级动力学模型能很好地描述CeO₂微纳米纤维对F^-的吸附过程。CeO₂微纳米纤维的除氟性能优良,可为其实际应用提供理论参考。     

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.     

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 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 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.     

X-ray analysis of sideroxol from <Emphasis Type="Italic">Sideritis leptoclada</Emphasis>

Sideroxol (1), a kaurane diterpene which has the ent-7α,18-dihydroxy-15β,16β-epoxykaurane structure (MW = 320.47, C₂₀H₃₂O₃) was obtained from the acetone extract of Sideritis leptoclada plant as well as from some other Sideritis species. It crystallizes in the orthorhombic space group P2₁, 2₁, 2₁ with a = 10.967(3), b = 24.555(5), c = 6.372(4) Å, Dc = 1.240 g cm⁻³, Z = 4, and refines to R = 0.065 for 721 independent reflections. The skeleton consists of three fused six-membered rings and a five-membered ring with fused epoxide. The six membered rings exhibited slightly distorted chair conformation. In addition to sideroxol, two kaurane and five kaurene diterpenes were isolated from the hexane and acetone extracts of the studied plant.     

Photoluminescence characteristics of Mg- and Si-doped GaN thin films grown by MOCVD technique

We have studied the optical, structural and surface morphology of doped and undoped GaN thin films. The p- and n-type thin films have been successfully prepared by low-pressure MOCVD technique by doping with Mg and Si, respectively. The different carrier concentrations were obtained in the GaN thin films by varying dopant concentrations. Photoluminescence (PL) studies were carried to find the defect levels in the doped and undoped GaN thin films at low temperature. In the undoped GaN thin films, a low intensity and broad yellow band peak was observed. The donor–acceptor pair (DAP) emission and its phonon replicas were observed in both the Si or Mg lightly doped GaN thin films. The dominance of the blue and the yellow emissions increased in the PL spectra, as the carrier concentration was increased. The XRD and SEM analyses were employed to study the structural and surface morphology of the films, respectively. Both the doped and the undoped films exhibited hexagonal structure and polycrystalline nature. Mg-doped GaN thin films showed columnar structure whereas Si-doped films exhibited spherical shape grains.