Cu过量对Cu1+x Al1-x O2(0≤x≤0.04)薄膜结构与光电性能的影响

以单相多晶Cu1+x Al1-x O2陶瓷做靶材,采用射频磁控溅射方法在石英衬底上沉积了Cu过量的Cu1+x Al1-x O2(0≤x≤0.04)薄膜.通过X射线衍射(XRD)、紫外吸收光谱以及电导率的测试,表征了不同含Cu量Cu1+x Al1-x O2薄膜的结构与光电性能.结果表明,沉积态薄膜经退火处理后,由非晶转变为具有铜铁矿结构的纯相Cu1+x Al1-x O2;退火态薄膜在可见光区域的平均透过率约为55;,平均可见光透过率不受Cu含量的影响;退火态薄膜样品的室温电导率随Cu含量的增加而增大,Cu1.04 Al0.96 O2的室温电导率最高,为1.22×10-2 S/cm;在近室温区(200～300 K),退火态薄膜均很好地符合Arrhenius热激活模式.     

TiO2/SiO2纤维的表征及其光催化活性

本文采用溶胶-凝胶法及离心甩丝,以TiCl4为钛源、乙酰丙酮为螯合剂成功制备了TiO2/SiO2纤维,并采用XRD 、FE-SEM、FT-IR和DSC -TG等手段对样品结构和性能进行表征.结果表明掺入SiO2可以抑制TiO2晶粒长大和晶型转变,700℃热处理后,未掺SiO2和掺15wt; SiO2的样品晶粒大小分别为32.4 nm和7.6 nm.TiO2/SiO2纤维直径为10～20μm,且表面含有大量纳米气孔.以活性艳红X-3B溶液为降解对象,研究了掺杂量、热处理温度对纤维光催化活性的影响,表明最优的方案为掺15wt; SiO2、热处理制度为700℃/2 h.     

白光LED用铽铕共掺镓酸锌微晶玻璃的制备、结构与发光性能研究

采用溶胶-凝胶法制备了Tb3+/Eu3+共掺ZnGa2O4微晶玻璃,研究了热处理温度对材料显微结构的影响以及不同稀土离子掺杂材料的发光性能.结果表明干凝胶样品在800～900℃温度热处理后可得到透明的含尖晶石结构ZnGaO4微晶玻璃,在1000℃热处理时由于SiO2非晶基体晶化析出三方Zn2SiO4与六方SiO2晶相导致样品失透.在微晶玻璃中具有ZnGa2O4纳米晶到Tb3+与Eu3+的能量传递.在900℃热处理Tb3+/Eu3+∶ZnGa2O4微晶玻璃样品中,Tb3+与Eu3+分别发射绿光和红光,并与ZnGa2O4纳米晶发射的蓝光组合成近白光发射.     

BiVO4/SiO2复合材料的制备及光学性能

以Bi(NO3)3 、NH4VO3 和Na2SiO3为原料,采用沉淀法制备了BiVO4/SiO2复合材料.利用扫描电镜(SEM)、X 射线衍射(XRD)及紫外-可见光吸收测试(UV-vis)对样品的晶相组成、微观结构和紫外-可见光吸收特性进行了表征.紫外-可见光吸收光谱分析表明:BiVO4/SiO2复合材料具有较宽的紫外-可见光吸收范围,计算其光学带隙为2.39 eV.光催化降价亚甲基蓝性能测试表明:BiVO4包覆SiO2能有效提高其催化性能.     

热处理对电沉积制备ZnS薄膜物相组成及光学性能的影响

采用电沉积方法在氧化铟锡(ITO)导电玻璃上沉积了ZnS薄膜,利用X射线衍射仪(XRD)、紫外-可见光(UV-VIS)分光光度计对薄膜的微结构和光学性能进行了表征,研究了热处理条件对薄膜的相组成和光学性能的影响.结果表明:电沉积制备的ZnS薄膜呈非晶态,并且含有单质Zn.硫化热处理可以改善薄膜的结晶状况,减少杂质Zn的含量.硫气氛中450 ℃热处理4 h之后,薄膜中单质Zn全部反应生产ZnS,得到了纯的ZnS薄膜.没有经过热处理的薄膜,其可见光透射率在70;左右,热处理后薄膜样品的透射率降低,在硫气氛中热处理4 h的样品,其可见光透射率最低,为50;左右,热处理条件对薄膜样品的禁带宽度值基本没有影响.     

快速退火对PZT铁电薄膜结构的影响

采用射频磁控溅射方法在Pt/Ti/SiO2/Si衬底上制备出(PZT)铁电薄膜,在550℃、600℃、650℃、700℃几个温度下对薄膜进行了快速退火热处理,并在退火处理后用X射线衍射、原子力显微镜和热释电系数测试系统研究了PZT铁电薄膜的薄膜结构、表面形貌及热释电性能.在650℃快速退火后,PZT铁电薄膜已经形成较好的钙钛矿相结构,并获得了较好的热释电性能,热释电系数达到1.5×10-8C·cm-2·k-1.     

SiO2气凝胶小球热处理过程中的相变研究

以无机硅溶胶为先驱物,通过溶胶-凝胶过程和常压干燥工艺制备出SiO2气凝胶.将SiO2气凝胶在不同温度条件下进行热处理,采用DSC、XRD、TEM、BET和IR等手段表征了SiO2气凝胶由无定形态向多晶态转化过程中,其多孔结构特征的变化.研究结果表明,在600℃以下进行热处理,样品表现出良好的热稳定性;当热处理温度在600～1060℃,随着温度的升高,多孔结构特征因无定形SiO2微粒团聚而逐渐消失;当热处理温度高于1060℃,无定形SiO2发生相变形成多晶态,导致SiO2气凝胶多孔结构特征完全消失.     

多孔碳负载纳米TiO2光催化性能研究

采用溶胶-凝胶法在多孔碳表面负载纳米TiO2光催化剂.探讨了不同浸泡时间、热处理温度和热处理时间对样品光催化性能的影响.采用XRD、SEM和紫外-可见光分光光度测试手段对所制备的材料进行表征,并分析各因素对光催化性能的影响.SEM的分析结果表明TiO2是以颗粒或者层的形式覆盖到多孔碳的孔道结构上的,且负载情况良好;光催化正交优化实验得到了各因素对多孔碳负载TiO2光催化性能影响的主次顺序:浸泡时间＞热处理温度＞热处理时间;优化后的实验工艺方案为:浸泡时间60 min、热处理温度700℃、热处理时间60 min.     

Ni离子注入SiO_2的表面形貌和光学吸收性能研究

室温下,将能量为60 keV,剂量范围在1×1016~1×1017/cm2的Ni离子注入到SiO2中。随后将样品在Ar气中退火(400~1000℃)。采用原子力显微镜(AFM),掠入射X射线衍射(GXRD),紫外-可见分光光度计(UV-Vis)对退火前后样品的表面形貌,Ni纳米颗粒的形成和热演变过程以及样品光吸收性能进行分析表征。结果表明:剂量为1×1016/cm2的样品退火前后均未能形成纳米颗粒;剂量为5×1016/cm2和1×1017/cm2的样品中形成了纳米颗粒,退火后颗粒长大,样品表面凸起(Ni纳米颗粒)高度增加,数量减少。SiO2中Ni纳米颗粒的光吸收带在310~520 nm,800℃后光吸收带变得明显且伴随峰位蓝移。经1000℃退火后,Ni纳米颗粒被热分解的O氧化为NiO纳米颗粒,NiO纳米颗粒的光吸收带位于300 nm附近。     

不同晶型TiO2的制备与光催化性能研究

采用溶胶凝胶法,利用不同温度热处理制备了不同晶体结构的TiO2纳米晶.利用XRD、SEM、EDS、XPS等分析方法对样品的晶体结构、形貌、化学元素组成以及价态进行了表征.结果表明400 ℃、500 ℃热处理TiO2为锐钛矿晶型,600 ℃ 热处理为锐钛矿金红石混合晶型,700 ℃热处理为金红石晶型,单颗粒子呈现类似球形形貌.以罗丹明B为目标污染物,测试了样品的光催化性能,结果表明400 ℃热处理TiO2具有最高的光催化活性,3 h后对罗丹明B的降解率达到94.6;,其反应速率常数达到0.969 h-1.     

Modelling of mechanism of agglomeration of KCl crystallization

The article presents an analysis into agglomeration during KCl vacuum crystallization. The theoretical and experimental investigations into the mechanism of agglomeration during mass crystallization result in an extension of the growth phenomena within the known model equations. The basis for this is essentially constituted by the collision model concepts of the theory of floculation in disperse systems. The parameters derived from the microprocess analysis (energy dissipation, content of solids, growth rate of individual grains) lead to model equations which are confirmed by laboratory and test trials.     

Relationship of Morphological Types of Dynamic Forms of Crystals

Crystallography Reports - The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical...     

Velocities of Disappearance and Lifetime of Faces of Growing Crystals

The formulae for absolute R_disap and relative R velocities of disappearance and lifetime τ of faces of growing crystals have been derived for stationary growth. It was shown that the quantities are determined by the relative growth velocity R_A/R_critA of the vanishing face A with respect to the critical growth velocity R_critA and by the geometry of a crystal expressed by the trigonometric functions of interfacial angles β and γ formed between face A and the adjacent faces. R increases and τ decreases with the increase in R_A/R_critA to certain limiting values. The calculations have been verified and illustrated by the experimental results for triclinic potassium bichromate (KBC) crystals. Results enable ones to predict values of velocities of disappearance and lifetimes of undesirable, supplementary faces of any real crystal.     

Development of Pauling's concepts of geometric characteristics of atoms

The evolution of the geometric characteristics introduced by Pauling and their dependence on the specific features of the structure and chemical bonds have been considered. The values of the covalent and van der Waals radii are given as well as their relationships and mutual transitions.     

Dependence of the parameters of equations of viscous flow on chemical composition of silicate melts

The temperature dependence of viscosity of silicate melts is discussed in the framework of the Avramov–Milchev (AM) equation. The composition is described by means of two parameters: the molar fraction, x, and the “lubricant fraction”, l. The molar fraction is the sum of the molar parts x_i of all oxides dissolved in SiO₂, the molar fraction of the latter being 1 ? x. It is shown that, with sufficient precision, two of the parameters of the AM equation can be presented as unique functions of the molar fraction. On the other hand, x is not sufficient to determine properly the reference temperature T_r , at which viscosity is η_r = 10¹³ [dPa.s]. Therefore, additional parameter, “lubricant fraction” l, is introduced. For each of the components, l_i is a product of molar part x_i and a specific dimensionless coefficient 0 ≤ k_i ≤ 1 accounting for the specific contribution of this component to the increased mobility of the system. It is demonstrated that, for l > 0, the reference temperature is related to the “lubricant fraction” l through the reference temperature T_r,SiO2 of pure SiO₂.     

Comparative analysis of two methods of calculation of the orientation of domain walls in ferroelastics

Two types of domain-wall equations are analyzed: the equations derived by the Sapriel method and the equations obtained by interface matching of the thermal-expansion tensor. It is shown that, for W-type domain walls, these methods yield the same equations. For W′-type domain walls, the equations obtained by different methods coincide for proper ferroelastics and differ for improper ferroelastics.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.