射频磁控溅射制备纳米TiO2薄膜的表征和亲水性能

采用射频磁控溅射TiO2陶瓷靶的方法在硅和石英衬底上制备纳米TiO2薄膜,并经950℃退火1h.通过X射线衍射(XRD)、原子力显微镜(AFM)、紫外可见光谱(UV-Vis)和接触角仪对薄膜相结构、表面形貌、光学性能和亲水性能进行表征.结果表明,与950℃退火1h相比,未退火薄膜是无定形结构并呈现较高的光致亲水性能.退火薄膜是锐钛矿和金红石混合相,其中锐钛矿相质量分数是11.34％.未退火和950℃退火1h的薄膜样品的能隙分别是3.03 eV和3.11 eV.未退火薄膜具有较高的光致亲水性能主要归因于其较低的光学能隙.退火薄膜的热致亲水性能与其相结构、表面清洁度和粗糙度有关.     

原子层沉积与磁控溅射法制备TiO2薄膜性能对比研究

分别采用原子层沉积(ALD)和磁控溅射法(MS)在Si和石英衬底上制备TiO2薄膜,并进行退火处理.利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、原子力显微镜(AFM)和紫外分光光度计对这两种方法制备薄膜的晶型结构、表面形貌和光学特性进行分析对比.结果显示,对于沉积态TiO2薄膜,ALD-TiO2和MS-TiO2未能检测到TiO2衍射峰.ALD-TiO2为颗粒膜,其表面粗糙,颗粒尺寸大;MS-TiO2薄膜表面平整.经退火后,两种方法制备的TiO2薄膜能检测到锐钛矿A(101)衍射峰,但结晶质量不高.受薄膜表面形貌和晶型结构等因素影响,退火前后ALD-TiO2透过率与MS-TiO2透过率变化不一致.对于沉积态和退火态薄膜的禁带宽度,ALD-TiO2分别为3.8eV和3.7 eV,吸收边带发生红移,MS-TiO2分别为3.74 eV和3.84 eV,吸收边带发生蓝移.     

真空退火温度对射频磁控溅射制备非晶In-Ga-Zn-O薄膜性能影响的研究

采用射频磁控溅射技术在室温下玻璃衬底上制备了铟镓锌氧(In-Ga-Zn-O)透明导电薄膜,并对该薄膜进行了真空退火.研究了不同退火温度对In-Ga-Zn-O薄膜结构、电学和光学性能的影响.X射线衍射(XRD)表明,在300℃至500℃退火温度范围内,In-Ga-Zn-O薄膜为非晶结构.随着退火温度的增加,薄膜的电阻率先减小后增大.透射光谱显示退火后In-Ga-Zn-O薄膜在500～ 800 nm可见光区平均透过率超过80;,且在350 nm附近表现出较强的紫外吸收特性.经过退火的薄膜光学禁带宽度随着退火温度的增加先增大后减小,350 ℃最大达到3.91 eV.     

生长和退火温度对磁控溅射法制备的ZnO薄膜性能的影响

利用磁控溅射法于500 ℃、550 ℃、600 ℃和650 ℃下在Al2O3(001)衬底上生长ZnO薄.对生长的ZnO薄膜后分别进行了800 ℃退火和1000 ℃退火处理.利用X射线衍射(XRD)、霍尔测试仪和透射谱仪对薄膜的结构、电学和光学性质进行了研究,结果表明合适的生长温度和退火温度能够提高ZnO薄膜的结晶质量和性能.     

退火对硫化方法制备ZnS薄膜特性的影响

以反应磁控溅射方法沉积ZnO薄膜,然后在空气和H2S气氛中退火制备了六方相ZnS薄膜.用X射线衍射仪(XRD)、紫外-可见透射光谱和扫描电子显微镜(SEM)对薄膜进行表征.提高空气退火温度能够改善ZnS薄膜结晶性,而空气退火温度超过500℃则会降低ZnS薄膜结晶性.另外,当硫化退火温度低于400℃时,ZnO只能部分转变为ZnS,只有硫化温度等于或大于400℃时,ZnO才能全部转变为ZnS.硫化前后薄膜晶粒尺寸有显著变化.所得ZnS薄膜在可见光范围的透过率约为80;,带隙为3.61 ～3.70 eV.     

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.     

氧气氛退火对TiO_2薄膜结构和成分的影响

采用电子束蒸发在硅衬底上制备TiO2薄膜,并在氧气氛下进行退火处理。分别使用X射线衍射仪和椭圆偏振仪分析退火前后以及不同退火温度下薄膜样品的结构、成分和折射率,研究氧气氛下进行退火对薄膜结构、成分和折射率的影响。结果表明:氧气氛下退火能够有效地改善薄膜缺氧的问题,提高TiO2薄膜的质量。     

衬底温度对含硅量子点的SiCx薄膜结构及其光学特性的影响

采用磁控共溅射沉积法,以Si靶和SiC靶为靶材,单晶Si(100)和石英为衬底,在不同衬底温度下沉积了富硅SiCx薄膜.在氮气氛下于1100 ℃退火,得到包含硅量子点的SiCx薄膜.采用傅立叶变换红外吸收光谱、拉曼光谱、掠入射X射线衍射和吸收谱对退火后的SiCx薄膜进行了表征.结果表明:当衬底温度从室温(25℃)升至300℃时,薄膜的晶化率增至71.3;,硅量子点尺寸增至8.9 nm,而光学带隙则减至2.42 eV;随着衬底温度进一步升高,薄膜的晶化率降至63.1;,硅量子点尺寸减小至7.3 nm,而光学带隙却增加至2.57 eV;当衬底温度从室温(25℃)升至400℃时,薄膜的吸收系数呈先增大后减小趋势.在本实验条件下,最佳衬底温度为300℃.     

空气退火对ZnS薄膜结构和光学特性的影响

采用X射线衍射、扫描电子显微镜和光致发光等技术研究了空气退火对ZnS薄膜的结构和光学特性的影响.薄膜在500℃以下退火后结晶质量得到改善,仍呈ZnS立方相结构.退火温度达到550℃时,薄膜中出现ZnO六方相结构.薄膜退火后,大气中的氧掺入薄膜中,出现ZnS-ZnO复合层.随退火温度升高,薄膜晶粒尺寸增大,透过率增加,带隙逐渐接近ZnO带隙.薄膜光致发光结果表明,复合层内ZnS和ZnO绿色发光的叠加替代了来自ZnS缺陷能级间的绿色发光.     

溶胶-凝胶法制备LaNiO3薄膜及其电学性能研究

采用溶胶-凝胶法在SiO2/Si衬底上制备了LaNiO3薄膜,并通过改变退火温度和薄膜厚度对其微结构和电学性能进行了表征测试.X射线衍射(XRD)和电阻率测试结果表明,随着退火温度和厚度的增加,LaNiO3薄膜的结晶质量明显提高,薄膜电阻率也逐渐下降.当退火温度为800℃时,厚度为630 nm的LaNiO3薄膜电阻率最小,达到了1.37 mQ·cm.此外,利用LaNiO3薄膜作为下电极制备的2; Nb-Pb(Zr06Ti0.4)O3薄膜呈良好的钙钛矿相结构,且经过1010铁电循环测试周期以后,2; Nb-Pb(Zr06Ti0.4)O3薄膜的铁电性能未出现明显下降,表明该LaNiO3薄膜是生长PNZT铁电薄膜的优良下电极材料.     

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.     

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.     

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.