氮气流量和退火处理对射频磁控溅射氮掺杂二氧化钛薄膜性能的影响

常温下利用TiO2陶瓷靶采用射频磁控溅射法在玻璃衬底上制备了N掺杂TiO2薄膜。利用光学轮廓仪、X射线衍射仪(XRD)、X射线光电子能谱仪分析(XPS)和分光光度计等对薄膜的沉积速率、化学组成、晶体结构和禁带宽度进行了系统研究。结果表明:磁控溅射N2流量和退火处理对薄膜的微观结构和性能有重要的影响。退火前,薄膜由非晶态TiO2构成;退火后,薄膜呈现锐钛矿相和金红石相的混合相。随着磁控溅射系统中N2流量的增加,退火前禁带宽度从3.19eV减少到2.15eV;退火后,薄膜由非晶相TiO2组织转化为锐钛矿TiO2和金红石TiO2构成的浑河相组织,禁带宽度相比退火前的非晶相TiO2薄膜略有增加。     

N、C共掺TiO2光催化剂的制备与性能研究

以三聚氰胺为掺杂源,采用溶胶-凝胶法制得了平均粒径为20.1nm的锐钛矿型N、C共掺TiO2光催化剂.当n(N)∶n(C)∶n(Ti)为0.064∶0.055∶1时,TiO2对亚甲基蓝3h日光降解率可达68%.探讨了三聚氰胺的用量和煅烧温度对TiO2光催化性能的影响,确定了最佳制备工艺.XPS和FTIR分析表明,N主要以替代O的形式生成O-Ti-N,少量N以填隙式生成-Ti-N-O,而C主要以替位式生成O-Ti-C,以填隙式生成-Ti-C-O、-Ti- COOO.UV-Vis分析表明,N、C掺杂TiO2的吸收边从掺杂前的383nm红移到427nm,禁带宽度从掺杂前的3.2eV降到2.9eV,将TiO2的光响应波长拓展到了可见光区.     

电子束蒸发法制备TiO2薄膜的折射率研究

用电子束蒸发法制备TiO2薄膜,并对其进行300℃、400℃、850℃热处理和掺杂.详细研究了工艺参数、热处理和掺杂对TiO2薄膜折射率的影响.实验结果表明:镀制高折射率的氧化钛薄膜最佳工艺参数为基片温度200℃、真空度2×10-2 Pa、沉积速率0.2 nm/s;随着热处理温度的升高,薄膜折射率也逐渐增大;适量掺杂CeO2(CeO2:Ti0质量比1.7:12)会提高薄膜的折射率,过量掺杂CeO2反而会降低折射率.     

热处理对溶胶-凝胶TiO2薄膜的晶相转变和性能影响

以钛酸丁酯（TPOT）为有机醇盐前驱体，采用溶胶－凝胶技术制备了TiO2溶胶。为测量方便起见，分别制备了凝胶粉体和薄膜，并对样品进行了不同温度的热处理。X射线衍射（XRD）、椭偏仪和紫外－可见光谱（UV－vis)的测量表明：随热处理温度的升高，TiO2的结构由非晶到锐钛矿再到金红石相转变，400℃为锐钛矿相，600℃开始出现金红石相，800℃完全转变为金红石相；晶粒尺寸随热处理温度的升高而逐渐增大，锐钛矿结构的晶粒尺寸范围是2.5-5.5nm，金红石结构的晶粒尺寸范围是5.9-6.8nm；TiO2薄膜的折射率随热处理温度的升高而增大，同时薄膜厚度降低；禁带宽度随热处理温度的升高而增大，同时薄膜厚度降低；禁带宽度随热处理温度升高而变窄，锐钛矿结构的禁带宽度为3.45eV，而金红石结构的禁带宽度为3.30eV。     

基底温度对直流溅射Nb掺杂TiO2薄膜性能的影响

采用陶瓷靶直流磁控溅射,以玻璃为基底制备2.5wt%Nb掺杂TiO2薄膜,控制薄膜厚度在300~350 nm,研究了不同基底温度下所制得薄膜的结构、形貌和光学特性.XRD分析表明,基底温度为150℃、250℃和350℃时,薄膜分别为非晶态、锐钛矿(101)和金红石相(110)结构.基底温度250℃时,锐钛矿相薄膜的晶粒尺寸最大,约为32 nm.薄膜表面形貌的SEM分析显示,薄膜粗糙度和致密度随基底温度升高得到改善.薄膜的平均可见光透过率在基底温度为250℃以内约为70%,随基底温度升高至350℃,平均透过率下降为59%,金红石相的存在不利于可见光透过.Nb掺杂TiO2薄膜的光学带宽在3.68~3.78 eV之间变化.基底温度为250℃时,锐钛矿相薄膜的禁带宽度最大,为3.78 eV.     

Ag/TiO2薄膜结构和光催化性能研究

采用溶胶-凝胶技术制备了Ag掺杂的TiO2薄膜.用XRD、氮吸附法、UV-VIS-NIR分光光度计以及XPS对Ag掺杂后TiO2薄膜结构的变化进行了分析;用分光光学法通过在紫外光照下分解亚甲基蓝的实验比较了TiO2薄膜与Ag/TiO2薄膜的光催化性能.结果发现,掺杂适量的Ag有助于TiO2薄膜光催化氧化性能的提高,原因在于:（1）Ag通过引入耗尽层提高了TiO2的电荷分离能力,并吸引空穴向薄膜表面移动,结果使薄膜表面空穴的浓度提高,薄膜光催化效率提高;（2）Ag减小了TiO2粒子的粒径,使TiO2禁带宽度增大,薄膜光催化氧化的能力提高;（3）Ag掺杂后,TiO2薄膜表面对-OH基和水的吸附增加,使光照后TiO2薄膜表面活性自由基·OH的浓度增加,空穴向薄膜所吸附物质的转移能力提高.     

N掺杂纳米TiO2-凹凸棒土复合材料的N掺杂形式和机理

采用水解沉淀法,通过在制备过程中引入氮源制备N掺杂纳米TiO2-凹凸棒土复合材料,采用紫外-可见分光光度计分析材料的吸收光谱和禁带宽度,结合红外光谱、X射线光电子能谱的表征结果分析复合材料的N掺杂形式和机理。结果表明,N以TiN、NHx、NOx的混合形式进入TiO2晶体;TiO2晶体的禁带宽度减小0.58 eV,复合材料的吸收光谱发生红移,可吸收的光波长阈值提高105.35 nm。     

基于透反射光谱确定Te/TeO_2-SiO_2复合薄膜的光学常数

基于电化学诱导sol-gel方法制备Te/TeO_2-SiO_2复合薄膜的紫外-近红外投射光谱实验,采用透反射光谱测量法推导出Te/TeO_2-SiO_2复合薄膜在200~1100nm波长范围内的光学常数,包括光学透过率、反射率、线性吸收系数、消光系数、线性折射率及禁带宽度。研究发现,复合薄膜具有高折射率(1.93~2.03),测试波长为1064nm,低吸收和禁带宽度宽(3.07~3.40eV)等光学特性,同时薄膜的光学常数对制备过程中的重要参数制备电压表现出强烈的依赖性,制备电压越大薄膜的光学透过率降低,薄膜厚度增大,线性折射率增大。     

TiO2与ZnFe2O4薄膜禁带宽度测定及对光催化效率的影响

采用溶胶－凝胶法在玻璃表面制备了TiO2薄膜、ZnFe2O4薄膜和掺杂ZnFe2O4的TiO2薄膜。利用紫外吸收光谱测定了薄膜的激发波长，计算得到了禁带宽度，并通过光催化分解实验进行了验证。     

TiO2纳米薄膜的制备及其紫外-可见光谱研究

用磁控溅射技术在普通载玻片上制备了不同厚度透明的锐钛矿相二氧化钛(TiO2)纳米薄膜,利用X射线衍射仪(XRD)、场发射扫描电子显微镜(FE-SEM)等分析方法对试样进行表征,并测试了其紫外-可见透射光谱,计算了此薄膜的禁带宽度,其值接近TiO2禁带宽度的理论值3.2eV.     

Preparation of ZrO2-CeO2 and HfO2-CeO2 nanopowders

We prepared weakly agglomerated powders of ZrO₂-CeO₂ and HfO₂-CeO₂ solid solutions 5–8 nm in particle size, consisting of monoclinic and tetragonal phases. After heat treatment at 1200°C, the crystallite size was 30 and 14 nm, respectively. We also examined the effect of precipitate freeze drying on the crystallization of hafnia-based solid solutions containing up to 20 mol % CeO₂.     

Comparison of the Electronic Structures of La2CuO4, Sr2CuO2Cl2, and Sr2CuO2F2

First-principles cluster calculations are reported of the local electronic structure of the three compounds: La₂CuO₄, Sr₂CuO₂Cl₂, and Sr₂CuO₂F₂. The copper ${\text{3d}}_{x^2 - y^2 } $ and the planar oxygen 2p _σ atomic orbitals exhibit a similar degree of covalency. The out-of-plane orbitals, however, are quite different with the ${\text{3}}d_{3z^2 - r^2 } $ atomic orbital lowered significantly in energy for chlorine and fluorine apical positions.     

Thermoelectric power of single-phase samples of Tl2CaBa2Cu2O y and Ba2CaSr2Cu2O y

Single-phase 2122 samples of thallium and bismuth superconductors were made by the precursor matrix method. The thermopower of these samples was measured in the temperature range 250 K-T _c . The thermopower was positive and decreased linearly with increasing temperature aboveT _c (onset). The exponential enhancement of thermopower seen in the undoped and doped YBCO was not observed in these samples. The linear variation of thermopower can be explained on the basis of either a two-band model or a narrow band model.     

VLE data for CO2-CF2Cl2, N2-CO2, N2-CF2Cl2 and N2-CO2-CF2Cl

Knowledge about vapour-liquid (VLE) is required as a basis of reliable calculations for separation processes. Correlations available for the prediction of T, p, x, y data are less accurate for mixtures at high pressures and mixtures containing supercritical components. The results of VLE experiments are reported and compared with data calculated with equations of state.     

Structure of Na2O·2TiO2 glass

X-ray radial distribution analysis and Raman spectroscopic measurement were carried out on Na₂O-2TiO₂ glass prepared by twin-roller quenching method. It is found that four-coordinated Ti⁴⁺ ions may be predominant over six-coordinated ones in the present glass. It is also found that the fraction of six-coordinated Ti⁴⁺ ions is larger in the present glass than in K₂O·2TiO₂ and Cs₂O·2TiO₂ glasses. Poorer glass-forming ability of the Na₂O-TiO₂ system compared with the K₂O-TiO₂ and Cs₂O-TiO₂ systems is ascribed to a larger fraction of TiO₆ octahedron for the former system.     

SiO2—TiO2—ZrO2系涂层的制备及其特性

用溶胶－凝胶法（sol-gel method）在不锈钢表面制备了SiO2-TiO2-ZrO2系无机氧化膜（STZ）。用DTA／TG、IR、XRD和SEM等手段研究了涂层制备时由凝胶向玻璃态的转变以及涂层薄膜的显微结构特点，考察了涂层对基体的保护效果。试验结果表明，在溶胶至凝胶最终转变为无机氧化物的过程中形成了无机网络，Si^4 和Zr^4 充当了网络骨架的形成离子。涂层为无定型玻璃态，其间混有石英、锐钛矿或金红石等微晶。     

Elastic and Electronic Properties of Superconducting CaPd 2 As 2 and SrPd 2 As 2 vs. Non-superconducting BaPd 2 As 2

The first-principles calculations were performed to predict the elastic and electronic properties of the superconducting ThCr₂Si₂-type phases CaPd₂As₂ and SrPd₂As₂ in comparison with the non-superconducting CeMg₂Si₂-type phase BaPd₂As₂. Besides, the same properties were compared for CeMg₂Si₂- and ThCr₂Si₂-type polymorphs of BaPd₂As₂. We found that all these phases are mechanically stable and belong to soft materials with low hardness. The near-Fermi region is formed by the valence states of the blocks [Pd₂As₂] with decisive contributions of Pd 4d states. The values of N(E _F) increase in the sequence: CaPd₂As₂ < SrPd₂As₂ < BaPd₂As₂, i.e. in the reverse sequence relative to the transition temperatures T _C. Thus, the change in T _C cannot be explained by the electronic factor, i.e. by the simple correlation T _C～N(E _F). Most likely the decrease in T _C in the sequence CaPd₂As₂ → SrPd₂As₂ and the absence of a superconducting transition in BaPd₂As₂ are related to the structural factors and the peculiarities of the electron–phonon coupling mechanism.     

Investigation of Instability of Lattice of Bi_2Sr_2CaCu_2O_x

Bi2Sr2CaCu2Ox superconductor was studied by differential scanning calorimetry (DSC) and thermogravimetry (TG) in different atmospheres. It is discovered that there is a thermal anomaly in the DSC curve, associated with a weight loss in the TG curve before the melting of the sample. Careful thermal analysis and high temperature X-ray diffraction reveal that the thermal anomaly and the weight loss show an instability of the crystalline Iattice. By annealing the sample in oxygen and argon, respectively and then by TC measurement and thermal analysis, the coincidence of transition temperature with the instability is found. The coincidence is further confirmed by Y-doped 2212 phase.     

Thermal conductivity of the system N2O4 ⇄ 2NO2 ⇄ 2NO + O2

Experimental data on the thermal conductivity of dissociating nitrogen tetroxide have been obtained by the hot-wire method in the temperature range from 290 to 870° K at pressures up to 10⁵ N/m².