La掺杂TiO2薄膜的制备及其光电流研究

采用溶胶凝胶-浸渍提拉法在ITO导电玻璃表面制备了纯TiO2薄膜和La掺杂TiO2薄膜,对其进行350℃、450℃、550℃保温2h热处理.利用XRD、SEM、EDS、XPS对样品结构、形貌、成分进行表征,利用电化学工作站对薄膜进行光电流测试,研究了La掺杂以及不同热处理温度对TiO2薄膜结构及光电流的影响.结果表明:La掺杂有细化TiO2晶粒和抑制锐钛矿相向金红石相转变的作用.随热处理温度提高,纯TiO2薄膜与La掺杂TiO2薄膜光电流密度均先增大后减小,450℃热处理后纯Ti02薄膜光电流密度为180 μA·cm-2,此温度下La掺杂TiO2薄膜光电流密度为650 μA·cm-2,是纯TiO2薄膜的3.6倍.     

Yb3+-Ho3+-F-共掺杂TiO2纳米晶的上转换发光性能及其在染料敏化太阳能电池中的应用

采用溶胶-水热法制备了Yb3-Ho3+-F-共掺杂的TiO2(简写为UC-F-TiO2)纳米粉末.通过XRD,TEM,拉曼光谱,XPS和发光光谱,研究了yb3掺杂浓度对UC-F-TiO2纳米粉末的结构、形貌和上转换发光性能的影响规律.结果表明:UC-F-TiO2纳米粉末颗粒的大小约20 nm,由金红石和锐钛矿两种结构混合组成,且随着yb3+掺杂浓度的增加,金红石结构的TiO2所占比例增加;在980 nm激光激发下,UC-F-TiO2发射出中心在543 nm、647 nm和751 nm处的三个发光带.研究了基于UC-F-TiO2和纯TiO2纳米多孔薄膜光阳极的染料敏化电池的光伏性能.结果表明:与纯TiO2制备的电池相比,将UC-F-TiO2应用于染料敏化电池,电池的光电转换效率提高了29.7;.     

镓掺杂对二氧化钛薄膜光吸收性能的影响

通过向TiO2粉体中加入质量分数为1;～15;的Ga2O3粉末,制备了Ga掺杂的TiO2陶瓷靶,并采用脉冲激光沉积法(PLD)用陶瓷靶制备出TiO2薄膜,将薄膜于800～1000℃下退火.对薄膜结构和光学性质的研究表明1000℃退火条件下浓度为1; Ga2O3掺杂能有效将金红石相TiO2的禁带宽度减小至2.62 eV,使其吸收边红移动至470 nm.     

La掺杂TiO2/电气石的制备及光催化性能研究

以电气石为载体,TiCl4为前驱体,采用水解沉淀法负载La掺杂纳米TiO2薄膜,制备La掺杂TiO2/电气石复合材料.结合XRD、FESEM、UV-vis等现代测试手段对所制备样品的结构和性能进行了表征.以甲醛为目标降解物,考察了样品的光催化活性.结果表明:La掺杂TiO2晶粒细小,均匀分布于电气石表面.经550℃煅烧,La掺杂后锐钛矿型TiO2粒径由13.5 nm降为8.73 nm.La掺杂后,TiO2光催化剂的吸收光谱向可见光区发生红移.1m3环境舱内,日光灯下照射360 min,La掺杂TiO2前后复合材料对甲醛的去除率分别达到66.4;和82.2;.     

溶胶-凝胶法制备Mg掺杂ZnO薄膜的微结构与光学性质

采用溶胶-凝胶技术在Si(111)和石英玻璃衬底上制备了Mg掺杂ZnO薄膜.用X射线衍射仪(XRD)、原子力显微镜(AFM)、扫描电镜(SEM)和紫外-可见(UV-Vis)分光光度计测试薄膜的微结构、表面形貌和光学性质.结果表明:所得Mg掺杂ZnO薄膜仍为六角纤锌矿型结构,呈c轴方向择优生长,随着退火温度升高,薄膜的晶格常数c由0.5288 nm减小到0.5278 nm,粗糙度从3.8 nm增大到6.5 nm,光学带隙由3.26 eV增大到3.31 eV.     

碱金属掺杂ZnO薄膜发光性能研究

采用固相反应法制备了不同比例的碱金属掺杂ZnO靶材,并利用磁控溅射法在Si(111)基片上制备不同温度下生长的c轴择优取向ZnO薄膜.通过XRD、AFM和荧光光谱(PL谱)研究了掺杂元素和掺杂比例对薄膜结构和发光特性的影响.结果表明,掺杂未改变ZnO的结构,薄膜具有很好的c轴择优取向.室温下用325 nm的氙灯作为激发光源得到不同样品的 PL 谱,分析表明,紫外发光峰来源于自由激子的复合辐射与带间跃迁,蓝绿发光峰与锌缺陷和氧缺陷有关.此外还探讨了紫外发光峰红移的可能机理.     

高热稳定性锐钛矿型Nd掺杂纳米TiO2的制备与表征

以钛酸丁酯为原料,采用溶胶凝胶法合成了纯TiO2与Nd掺杂TiO2纳米粉体,对其进行了350℃至850℃的热处理.利用XRD、SEM、和EDS对粉体的晶型结构,微观形貌和元素成分进行表征,研究了Nd掺杂对TiO2晶粒尺寸以及晶型转变的影响.结果表明:样品晶粒尺寸达到纳米级别,Nd掺杂后TiO2晶粒尺寸减小.纯TiO2在550℃时已经有金红石生成,750℃完成锐钛矿向金红石的转变;Nd掺杂TiO2在750℃时仍然是锐钛矿,850℃时有少许金红石生成,Nd掺杂提高了TiO2锐钛矿结构的热稳定性.     

射频磁控溅射法制备TiO2-xNx薄膜的结构性能研究

利用射频磁控溅射法室温下在Si(100)衬底上制备了N掺杂的TiO2薄膜,并且采用x射线衍射(XRD)、X射线光电子能谱(XPS)和透射光谱对薄膜进行了表征.XRD结果表明在纯Ar和N2(33.3;)/Ar气氛下制备的TiO2-xNx薄膜均为单一的金红石相,薄膜结晶性良好,呈高度(211)择优取向,而在N2(50.0;)/Ar下制备的薄膜结晶性明显变差;对于N掺杂的TiO2薄膜,XPS表明部分N原子进入TiO2晶格,并且以N-Ti-O、N-O键以及间隙式N原子形式存在;透射光谱表明掺N后的TiO2薄膜吸收边发生了红移.     

硅铝共掺杂对TiO2薄膜结构及性能的影响

采用非水解溶胶-凝胶法制备了Si、Al共掺杂的TiO2薄膜.应用X射线衍射、紫外可见分光光度计研究了Si、Al掺杂对TiO2薄膜晶型转变、晶粒尺寸、光吸收性能及光催化性能的影响.结果表明:适量引入Si、Al后,可显著提高1000℃热处理后TiO2薄膜的光催化活性;当Si/Ti物质的量比为0.2时,薄膜由于混晶结构光催化活性最佳;Si、Al共掺杂能抑制TiO2的晶型转变及TiO2的晶粒生长,且Si、Al共掺杂的抑制作用比单一Si掺杂更有效;当Si/Ti物质的量比为0.15、Al/Ti物质的量比为0.05时,TiO2锐钛矿向金红石的转变温度从750℃提高到1200℃.     

膜厚对Zr,Al共掺杂ZnO透明导电薄膜结构和光电性能的影响

采用直流磁控溅射法在玻璃衬底上制备出Zr,Al共掺杂ZnO(AZZO)透明导电薄膜.用XRD和SEM分析和观察了薄膜样品的组织结构和表面形貌.研究表明:制备的AZZO透明导电薄膜为六角纤锌矿结构的多晶薄膜,且具有c轴择优取向.另外还研究了薄膜的结构、光学和电学性质随薄膜厚度的变化关系.当薄膜厚度为843 nm时,电阻率具有最小值1.18×10~(-3) Ω·cm,在可见光区(500～800 nm)平均透过率超过93;.     

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。     

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.     

New zeotype borophosphates with chiral tetrahedral topology: (H)0.5M1.25(H2O)1.5[BP2O8]·H2O (M = Co(II) and Mn(II))

Two new isostructural open‐framework zeotype transition metal borophosphate compounds, (H)_0.5M_1.25(H₂O)_1.5[BP₂O₈]·H₂O (M = Co(II) and Mn(II)) were synthesized by mild hydrothermal method. The structure of compounds were characterized by single‐crystal X‐ray diffraction which have ordered, alternating, vertex‐sharing BO₄, PO₄, and (MO₄)OM(H₂O)₂ groups with hexagonal, P 6₁ 2 2 (No 178) space group and unit cell parameters for Co a = 9.4960(6) Å, c = 15.6230(13) Å, for Mn a = 9.6547(12) Å, c = 15.791(3) Å, Z = 1 for both of them. TGA/DTA analysis, IR spectroscopy were used for characterization. Magnetic susceptibility measurements for both of the compound indicate strong antiferromagnetic interaction between metal centers. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

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.     

Solubility of Ag2O into the Na2O–B2O3–Al2O3 system

The solubility of Ag₂O was measured for the Na₂O–B₂O₃ and Na₂O–B₂O₃–Al₂O₃ system with the rotating crucible method and static method, respectively, under air atmosphere at temperatures ranging from 1273 to 1423 K. The contamination of melts from crucibles could be avoided by the rotating crucible method, with which it became possible to measure the solubility of Ag₂O for the Na₂O–B₂O₃ system above the melting point of Ag for the first time. It was found that the addition of Na₂O decreases the solubility of Ag₂O while the addition of Al₂O₃ had little effect on the solubility. The effect of Na₂O and Al₂O₃ on the solubility of Ag₂O is expressed by interaction coefficients and is analyzed in terms of the basicity of melts. The solubility of Ag₂O in Na₂O–B₂O₃–Al₂O₃ melts increased with increased temperature. This phenomena was explained by a small enthalpy change in oxidation of silver.     

Considerations on the structure and physical properties of B2O3-SiO2 and GeO2-SiO2 glasses

Data of density, refractive index and thermal expansion coefficient for B₂O₃-SiO₂ and GeO_2-SiO₂ glasses have been analyzed. The volumes of the structural units are the same found for the vitreous B₂O₃, GeO₂ and SiO₂. The volume of any structural unit is constant over the entire composition region of the glass system. The same has been found for the differential refraction and unit refraction of the structural units in these glasses. Different features are observed for the differential expansion of the structural units. There is a considerable change with composition in the differential expansion of BO₃, GeO₄ and SiO₄ units. The effect is attributed to a change in the asymmetry of vibrations with the number of Si-O-B or Si-O-Ge linkages in the matrix. The thermal expansion coefficient is mainly determined by the contribution of B₂O₃ or GeO₂ in the concerned glasses.     

Molecular structure and crystal packing of uncomplexed 1,6-bis(N-cyano-p-methoxy-anilino)-2,4-hexadiyne, C22H18N4O2

The X-ray crystal structure of 1,6-bis(N-cyano-p-methoxy-anilino)-2,4-hexadiyne, C₂₂H₁₈N₄O₂, is determined. The crystal packing is dominated by phenyl stacking interactions. Weak C–H···N hydrogen bonds help align the molecules. C–H··· hydrogen bonding is not apparent.     

Structural and electrical properties of vapour phase grown Cd1 − xFexTe single crystals

Cd_1 − xFe_xTe single crystals were prepared by vapour phase growth method in the composition range of 0 ≤ x ≤ 0.03. Chemical analysis, surface morphology, structural investigations and electrical properties were carried out by EDAX, SEM, XRD, TEM and transport technique, respectively. Microscopic variations between the target and actual compositions were noticed. Morphology studies revealed that dislocation aided growth is active in the present crystals. TEM and XRD studies confirmed that the samples of all compositions crystallized in zinc blende structure, and the lattice parameters varied almost linearly decreases with Fe content. At room temperature, the resistivity of the Cd_1 − xFe_xTe crystals of all compositions (x = 0.01, 0.015, 0.02, 0.025 and 0.03) lies in the range of 3.5-6.5 M Ω, the activation energies lie in the range of 63-133 meV, and the samples were show the ‘p’ type conductivity.     

空位浓度对纤锌矿CdS电子结构和光学性质影响的第一性原理研究

本文基于密度泛函理论的平面波超软赝势方法,采用第一性原理研究了含Cd空位缺陷CdS和含S空位缺陷纤锌矿CdS的几何结构、能带结构、电子态密度及光学性质。通过计算分析可知,含Cd空位缺陷的CdS体系均为p型半导体,含S空位缺陷的CdS体系跃迁方式均由直接跃迁变为间接跃迁。Cd、S空位缺陷的CdS体系的态密度总能量降低。空位CdS体系相较于本征CdS体系的静介电常数均有提高,并随着空位浓度的增大而增大,Cd空位缺陷体系更为明显,极化能力得到显著提升。空位Cd的CdS体系相较于本征CdS体系在红外波段存在明显的吸收,空位S的CdS体系相较于本征CdS体系在可见光波段存在明显的吸收。