柔性有序ZnO纳米棒/TiO2纳米粒子复合薄膜的制备及其光电转换性能研究

采用电沉积法,在柔性不锈钢网基底上制备了ZnO纳米棒阵列,随后旋涂P25浆料,最终经退火后得到了ZnO纳米棒阵列/TiO2纳米粒子的复合结构薄膜,详细探讨了TiO2纳米粒子的填充,初级ZnO纳米棒阵列的形貌,P25浆料的旋涂次数以及表面活性剂PEG添加量等制备条件对复合结构光阳极形貌及光电性能的影响.研究表明:TiO2纳米粒子的引入能有效提高光阳极的比表面积,增强半导体与染料的耦合能力,ZnO纳米棒阵列能够为电子提供快速传输的通道.最佳制备条件为:初级ZnO纳米棒沉积次数为两次,浆料浓度为1 g/50 mL,旋涂浆料次数为三次,PEG添加量为4g/100 mL,制备的复合结构DSSC的光电转换效率较单一纳米棒阵列有一定的提高.     

CuInS2量子点敏化ZnO基光阳极的制备与性能研究

采用两步法在导电玻璃(FTO)基板上制备纯氧化锌(ZnO)纳米棒和钇掺杂的氧化锌(ZnO∶Y)纳米棒,采用连续离子层吸附反应法(SILAR)在所制备的ZnO及ZnO∶Y纳米棒上沉积CuInS₂量子点制备ZnO/CuInS₂和ZnO∶Y/CuInS₂光阳极。利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、电子探针能谱仪(EDS)、紫外-可见分光光度计(UV-Vis)、电流密度-电压(J-V)曲线等技术手段对不同光阳极样品的晶相结构、微观形貌、化学组成、光吸收性能和太阳电池性能进行了表征。实验结果表明:所制备的ZnO纳米棒和ZnO∶Y纳米棒为六方纤锌矿结构。CuInS₂量子点敏化的ZnO纳米棒薄膜的光学带隙从3.22 eV减小为2.98 eV。CuInS₂量子点敏化ZnO∶Y太阳能电池的短路电流密度和光电转换效率比未掺杂的ZnO纳米棒组装的太阳能电池分别提高了6.5%和50.4%。     

ZnO/TiO2复合光阳极染料敏化太阳能电池的研究

采用醇热法制备ZnO纳米粉体,采用水热法制备TiO2纳米粉体,将不同质量分数的ZnO与TiO2混合制备浆料,采用刮涂法在掺氟的SnO2透明导电玻璃(FTO)上制备ZnO/TiO2纳米复合薄膜光阳极,与Pt对电极和电解质组装成染料敏化太阳能电池.采用X射线衍射仪(XRD)、X射线光电子能谱仪(XPS)和扫描电镜(SEM)对所制备的样品进行表征,通过光电性能测试和电化学阻抗谱测试,研究了添加不同质量分数的ZnO对电池性能的影响.结果表明:不添加ZnO纳米粉时,纯TiO2光阳极的电池光电转换效率为7.95;,而添加了2wt; ZnO的ZnO/TiO2复合光阳极电池的效率达到9.54;,比纯TiO2电池的效率提高了20;.     

ZnO/Fe2O3复合结构的制备及光电化学性能研究

采用水热法在FTO导电玻璃上制备出大面积高能面裸露的ZnO纳米片阵列.采用旋涂法在纳米片表面制备Fe2O3纳米颗粒形成ZnO/Fe2O3复合结构.利用X射线衍射(XRD)、扫描电子显微镜(SEM)、紫外-可见光吸收光谱和三电极光电测试系统对复合薄膜的结构组成、形貌、光学性能和光电化学性质进行了表征和分析.研究结果表明,随着Fe2O3复合次数的增加薄膜的光吸收范围逐步拓宽到可见光区,ZnO/Fe2O3复合结构光电极的光电流明显高于单纯的ZnO纳米片阵列光电极.     

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.     

ZnO纳米棒的电致发光研究

采用化学浴沉积法在ITO导电玻璃衬底上制备了ZnO纳米棒膜层,构建了无绝缘层和添加Alq3为绝缘层的两类ZnO发光器件,测试和比较了两类器件的光致发光与电致发光特性.结果表明,在ZnO和Alq3混合体系的PL谱中,观察到ZnO的380nm发光减弱而Alq3的520 nm发光增强,这表明在ZnO的激子态和Alq3分子之间发生了能量转移.ZnO纳米棒的EL谱表现为随机激光,这主要是由于光在纳米棒内谐振,及纳米棒长短不一、阵列不整齐所致.加入Alq3后,器件的Ⅰ-Ⅴ曲线上出现了约为1.6V的阈值电压,工作电压由30 V降为18 V,且器件的发光颜色由黄绿区移到蓝紫区.     

液相沉积低温制备染料敏化太阳能电池光阳极及表征

本研究采用液相沉积法在恒温与变温两种条件下进行沉积,选用FTO导电玻璃与柔性PET-ITO作为基底.由XRD结果可知产物均为锐钛矿相二氧化钛,80℃条件下结晶性更好;SEM测试结果表明TiO2薄膜层为多孔结构.变温条件制备的电池效率最高,而60℃恒温条件制备的电池效率略高于80℃.FTO作为基底在梯度温度下制备组装的电池效率达到5.71;,相同条件下制备的柔性基底组装的电池效率为4.07;.     

化学溶液沉积法制备超疏水氧化锌薄膜

采用化学溶液沉积法在涂覆ZnO缓冲层的玻璃衬底上制备超疏水ZnO薄膜。利用SEM、XRD和水接触角测量表征薄膜的微观结构和润湿性。结果表明:在涂覆ZnO的玻璃衬底上所沉积的ZnO膜为单分散的ZnO纳米棒阵列膜。ZnO纳米棒的形状和尺寸与氢氧化钠浓度、化学反应速度和沉积时间有关。氢氧化钠浓度较高时所获得的是细长浓密的纳米棒阵列膜,提高反应速度会降低ZnO纳米棒的均匀性和形状规则性。经硅烷偶联剂处理后所得薄膜与水的接触角达到165°。     

TiO2纳米花的合成及其在染料敏化太阳能电池中的应用

采用水热合成技术,以盐酸、去离子水和钛酸丁酯为反应前驱物,在透明导电玻璃(FTO)衬底上合成TiO2纳米花薄膜.采用扫描电子显微镜(SEM)、高分辨透射电镜(HRTEM)和X射线衍射(XRD)对其形貌和结构进行了分析.结果表明在FTO衬底上形成的纳米花是由四方形柱状结构的纳米棒构成的,纳米棒由具有金红石晶型的直径为4~6 nm的几十条单晶纳米线束聚集在一起构成的.研究了以TiO2纳米花薄膜为光阳极制备的染料敏化太阳能电池的光电性能,电池的开路电压、短路电流密度和转换效率均随着反应前驱物中钛酸丁酯的浓度的增加而变小,这是由于纳米花的比表面积随着钛酸丁酯的浓度增加而减少造成的.     

ZnO纳米棒阵列/纳米颗粒团聚复合膜的制备及其光电性能

采用恒温水浴法在FTO导电玻璃上制备出了ZnO纳米棒阵列,然后对其进行二次生长后得到了ZnO纳米棒阵列/纳米颗粒团聚复合膜,最后它们分别与Pt形成对电极并与电解质溶液组装成染料敏化太阳能电池(DSSC)。结果表明:当在模拟太阳光照射(AM 1.5,100 mW/cm2)下时,ZnO纳米棒阵列/纳米颗粒团聚复合膜太阳能电池的短路电流密度Jsc为11.7 mA/cm2,开路电压Voc为0.661 V,填充因子FF为0.384,光电转换效率为3.17%,均明显的高于ZnO纳米棒阵列太阳能电池和ZnO纳米颗粒团聚球太阳能电池。其主要原因是由于ZnO纳米棒阵列/纳米颗粒团聚复合膜染料敏化太阳能电池在具有较高的光生电子传输效率的同时,增加了比表面积和提高了光子的收集效率。     

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.