低温磁控溅射法制备氧化锌薄膜的光学性能研究

采用射频磁控溅射法,在较低的衬底温度(100℃)下,改变溅射时间,制备了一组氧化锌(ZnO)薄膜.采用X射线衍射(XRD)、扫描电子显微镜(SEM)、原子力显微镜(AFM)、X射线能谱仪(EDS)、傅里叶红外光谱(FTIR)、拉曼光谱和紫外-可见分光光度计对制备的ZnO薄膜的微观结构、形貌和光学特性进行了研究.XRD图谱表明,制备的ZnO薄膜具有良好的结晶性和c轴择优取向,随着溅射时间的增加,(002)衍射峰的强度先增大后降低,溅射时间为40 min时,(002)衍射峰的强度达到最大,衍射峰半高宽最小;AFM测试表明制备的ZnO薄膜表面呈现球状颗粒,随着溅射时间的延长,薄膜的颗粒尺寸和表面均方根粗糙度均逐渐变大;EDS结果显示溅射时间较长(40 min和60 min)的ZnO薄膜,O和Zn的原子比更接近1:1.FTIR光谱中,发现位于408 cm-1附近的ZnO的E1(TO)声学模式和位于380 cm-1处的A1(TO)模式;拉曼光谱中,观测到了分别位于99 cm-1和438 cm-1处的ZnO的E2(Low)和E2(high)模式拉曼特征峰;紫外-可见透过光谱显示,在可见光范围,ZnO薄膜具有高的透光率,平均透光率高于90;,ZnO薄膜的光学禁带宽度范围为3.27～3.28 eV,溅射时间为40 min时,ZnO薄膜的光学禁带宽度最接近单晶ZnO的.     

Co掺杂浓度对ZnO纳米棒结构和光学性能影响研究

采用水热法以不同浓度Co掺杂合成了具有六方纤锌矿结构的ZnO纳米粉体,通过X-射线衍射(XRD)、扫描电镜(SEM)、拉曼光谱、X射线光电子光能谱分析法(XPS)、(光致发光)PL谱等分别对样品的形貌、结构、光学性能进行了测试和表征.结果 表明:随着Co掺杂浓度的增大,纤锌矿ZnO的晶体结构没有改变,且Co以二价离子Co2+的形式掺杂进入ZnO晶格;同时花状ZnO纳米棒的均匀性变差,不同浓度Co掺杂ZnO纳米棒中均出现了少量且尺寸较小的单根纳米棒.PL光谱显示:随着Co掺杂浓度增大,样品的紫外发光峰没有明显地变化,而可见发光峰的强度先减小再增大,说明样品的缺陷先降低再提高.当Co掺杂的浓度为2.0;时,所制备的ZnO花状纳米棒可见发光峰相对最低,其具有较小的缺陷.     

Ti离子注入对ZnO纳米棒阵列性能的影响

本文研究了Ti离子注入对ZnO纳米棒阵列结构、形貌、光学特性和疏水性的影响.XRD测试表明注入前后ZnO纳米棒均为六方纤锌矿晶体结构.然而,随着对ZnO纳米棒阵列注入剂量的增加,样品沿(002)晶面优先生长的趋势降低,而且当注入剂量达到5×1017/cm2时,甚至出现ZnTiO3( 104)晶面衍射峰,说明了这种物质的存在,而后面的XPS表征也进一步证明了Ti-Zn-O化学键的存在.样品形貌测试表明,离子注入后由于受刻蚀和溅射的作用,不仅使得ZnO纳米棒表面形貌发生了很大的变化,透光率也显著下降.离子注入后ZnO纳米棒表面疏水性受形貌变化的影响也发生了改变,使得其疏水性增强,当Ti离子注入量为1×1017/cm2时ZnO纳米棒表面接触角达到了151.4°.总之,离子注入作为一种较新颖的表明改性方法,通过对ZnO纳米棒阵列改性处理可以明显扩展其潜在应用价值.     

基于直流磁控溅射晶种层的ZnO纳米阵列的制备及性能研究

采用直流反应磁控溅射法制备品种层薄膜,研究O2/Ar气体分压比和退火温度对品种层结构和微观形貌的影响.通过化学水浴沉积,在预制有晶种层的薄膜上制备ZnO纳米阵列结构,研究不同前驱体浓度和预制晶种层对纳米阵列生长的影响.结果表明,当O2/Ar中O2分压减少,薄膜均匀性较差,当Ar分压增加薄膜由于扩散而趋于平整.退火温度增加,晶粒尺寸增大,内应力降低.磁控溅射法预制的晶种层上生长的纳米棒垂直于衬底生长,(002)晶面的衍射峰强最高,说明纳米棒沿c轴择优取向.生长液的浓度对纳米棒的形貌影响显著,随着生长液浓度的升高,ZnO纳米阵列直径增大,顶端趋于平整的六棱柱结构.     

ZnO纳米针阵列合成及台阶动力学生长机理研究

采用化学气相沉积系统,不用催化剂,生长过程中采用变温技术,在Si基片上合成了ZnO纳米针阵列.扫描电子显微图(SEM)显示ZnO纳米针阵列整齐密集生长在基片上,其棒状部分粗细均匀,直径约100 nm.透射电子显微照片(TEM)显示ZnO纳米针尖端呈现一系列的台阶.X射线衍射(XRD)图谱上只存在ZnO的(002)衍射峰,说明ZnO纳米针沿c轴择优取向.运用台阶动力学和奇异面生长理论分析表明ZnO纳米棒是典型的奇异面上单二维成核法向层生长机制.当单圈圆台阶扫过整个晶面的时间ts大于奇异面法向生长一个台阶高度所用时间tn时,在纳米棒顶端形成针尖;当单圈圆台阶扫过整个晶面的时间ts小于或等于奇异面法向生长一个台阶高度所用时间tn时,在纳米棒顶端不能形成针尖.     

纳米ZnS∶Cu薄膜及谐振腔的制备与特性研究

采用水浴法制备不同掺杂浓度ZnS:Cu纳米薄膜及相应谐振腔.X射线衍射表明,该纳米薄膜具有立方相的闪锌矿结构.光致荧光测量显示,ZnS:Cu薄膜在2.37 eV处有很强的荧光峰.荧光强度与Cu/Zn物质的量比有关,当Cu/Zn物质的量比为0.1%时,ZnS:Cu纳米薄膜荧光强度最强.在由Al膜与ITO薄膜构成的腔长为3.6 μm的ZnS:Cu垂直谐振腔中共观察到10多个荧光干涉峰.经分析确定,该垂直谐振腔的品质因数为30.3.     

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.     

钇掺杂多孔结构氧化锌纳米棒的制备与性能研究

采用两步法在二氧化锡掺氟(SnO2:F,FTO)导电玻璃基板上制备出钇(Y)掺杂多孔结构氧化锌(ZnO)纳米棒,首先利用浸渍-提拉法在FTO导电玻璃基板上制备ZnO晶种层,然后利用水热法在ZnO晶种层上生长Y掺杂ZnO纳米棒.研究了不同浓度Y掺杂ZnO纳米棒的晶相结构、微观形貌、化学组成及光学性能.实验结果表明:所制备的Y掺杂ZnO纳米棒为沿c轴择优取向生长的六方纤锌矿结构,随着Y掺杂浓度的增加,ZnO纳米棒(002)衍射峰强度先增大后减小,纳米棒的平均长度由1.3μm增加到2.6μm.ZnO纳米棒的形貌由锥状结构向柱状结构演化,纳米棒侧面的孔洞分布密度增加.所制备的Y掺杂ZnO纳米棒具有一个较弱的紫外发光峰和一个较强的宽可见发光峰.所制备样品的光学带隙随着Y掺杂浓度的增加而减小,其光学带隙在3.29～3.21 eV之间变化.利用Y掺杂ZnO纳米棒作为量子点敏化太阳能电池的光阳极可极大提高太阳电池的光电转换效率.     

籽晶辅助化学水浴沉积法制备ZnO纳米棒阵列

采用籽晶辅助化学水浴沉积法,即先用磁控溅射法在硅片上制备c轴取向的ZnO薄膜,以此作为籽晶层,利用化学水浴沉积法制备ZnO纳米棒阵列.利用扫描电子显微镜(SEM)和X射线衍射(XRD),研究了ZnO薄膜籽晶层的沉积温度、水浴温度和前驱体溶液中Zn源的初始浓度等对ZnO纳米棒阵列生长的影响,由此得到了结晶性好且几乎垂直于衬底方向的ZnO纳米棒阵列的生长条件,为制备基于ZnO纳米棒阵列的器件提供了条件.     

氧分压对ZnO纳米结构的形貌及光学性能的影响

利用未采用催化剂的真空热蒸发法合成了不同形貌的硅基ZnO纳米结构,研究了氧分压对纳米ZnO结构及光学性能的影响.研究结果表明氧分压对ZnO纳米结构的形貌及光学性能具有明显的影响,在氧分压为25;、10;和5;时制得的纳米ZnO结构分别为纳米线、纳米带和纳米梳.X射线衍射测试表明制得的不同ZnO纳米材料均为六方纤锌矿结构,并具有明显的c轴择优取向性.采用PL谱对制备纳米结构的光学性能进行了测试.     

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...     

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.     

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.     

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.     

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.