银离子和六元瓜环改性的硫化镉的表征和催化性能

掺杂金属和使用有机物复合的方法是提高硫化镉光催化性能的有效手段.利用大分子六元瓜环(Cucurbit[6]uril,Q[6])作为改性剂,采用化学沉淀法合成Ag+掺杂的Q[6]/Cd(1-x)AgxS,对产物进行FT-IR,XRD,Uv-vis,PL和SEM等表征,并以结晶紫、罗丹明B和次甲基蓝作为目标降解物测试产物的光催化性能.结果 表明:Ag+掺杂和Q[6]复合都提高了硫化镉的催化性质,催化剂Q[6]/Cd(1-x)AgxS的最佳用量为10 mg,最佳掺杂摩尔分数x为0.25;,对次甲基蓝的催化效果最佳,200 min的催化效率达到99.6;.     

微波水热法制备六方片状CdS团簇

采用微波水热法,以氯化镉(CdCl2·H2O)和硫代乙酰胺(CH3CSNH2)为镉源和硫源,制备了具有六方片状结构的CdS微晶。利用X射线衍射仪(XRD)、场发射扫描电子显微镜(FE-SEM)、EDS、透射电子显微镜(TEM)和高分辨透射电子显微镜(HRTEM)等对样品的物相、形貌和元素组分进行了分析,并采用紫外吸收光谱表征其光学性能。结果表明:以CH3CSNH2为硫源合成的CdS微晶具有六方片状团簇的特殊形貌,通过与相同条件下以Na2S2O3·5H2O为硫源合成CdS晶的FE-SEM照片对比发现,CH3CSNH2在此特殊形貌的制备过程中起到了重要作用。通过紫外吸收光谱得出,样品的禁带宽度为3.82 eV,蓝移量达到了1.37 eV。     

溶剂热合成CdS纳米棒及光学性能研究

通过传统的溶剂热技术,以CdCl2·2.5H2O和硫脲(H2NCSHN2)为镉源和硫源,在不同的反应时间下溶剂热(无水乙二胺)合成了CdS纳米棒.X射线衍射(XRD)分析表明了产物是六方相CdS,扫描电镜(SEM)观察了产物的形貌随反应时间的变化;拉曼(Raman)图谱显示了CdS纳米晶出现了红移;光致发光谱(PL)分析表明CdS纳米晶出现一定的蓝移.     

CdS纳米棒的水热法制备及形成机理研究

采用水热法以Na2S· 9H2O为硫源,Cd3O12S3·8H2O为镉源,PVP为表面活性剂,成功制备了CdS纳米棒.并利用X射线衍射(XRD)、透射电子显微镜(TEM)和相应选区电子衍射(SAED)、高分辨透射电子显微镜(HRTEM)、X射线能量色散分析谱仪(XEDS)和紫外可见(UV-vis)分光光度计等测试手段对样品的晶体结构、形貌、微观结构和光学特性等特征进行了表征分析,实验结果表明本方法所制备的CdS纳米棒为纤锌矿结构,沿[001]方向择优生长,平均直径大约为50 nm,棒宽均匀、分散性好,带隙为2.43 eV.同时也对CdS纳米棒的形成机理进行了初步探讨,提出了CdS纳米棒的生长模型,其形貌从三角形到阶梯形棒晶,最后再到完整的棒状晶体的一个定向团聚的自组装过程.     

不同硫源对微波水热法制备SnS粉体结构和光学性能的影响

采用微波水热法,以氯化亚锡为锡源,硫化铵、硫脲、硫代乙酰胺、硫代硫酸钠等为硫源,在相同的条件下制备SnS粉体,研究了不同硫源对产物物相、形貌和光学性能的影响.采用XRD、SEM、TEM对样品的物相和形貌进行了分析.结果表明:除硫代硫酸钠外,由其他硫源制备的产物均为正交晶系的SnS粉体;通过不同的硫源可制备类球形、不规则长方体和花簇状SnS微晶.利用紫外-可见吸收光谱分析,产物的光学带隙约为1.48～1.61eV;室温光致发光光谱表明,产物在830 nm处具有近红外发光特性.     

Cu2ZnSnS4纳米粒子的水热合成及其光催化性能研究

以易获取的氯化铜、氯化锌、氯化亚锡等无毒材料为原料,采用水热合成法制备得到Cu2ZnSnS4纳米粒子.并采用XRD、SEM分析了不同反应温度和硫源对Cu2ZnSnS4纳米粒子的晶相结构、显微形貌的影响,并以降解罗丹明B为模型,研究了Cu2ZnSnS4纳米粒子的光催化性能.研究表明:在180 ℃下使用Na2S为硫源反应12 h所得的产物为形貌均一的多晶Cu2ZnSnS4纳米粒子;在该条件下制得的产物降解20 mg/L罗丹明B时,在LED灯光照150 min后其光催化效率达到98;以上且降解过程中逐步脱乙基生成4种中间产物.     

CTAB辅助制备环状MoS2晶体及微结构调控

以钼酸铵为钼源硫脲为硫源,十六烷基三甲基溴化铵(CTAB)为模板剂,采用表面活性剂促助法成功制备了环状结构MoS2,并利用X射线衍射仪(XRD)、扫描电镜(SEM)系统比较研究了CTAB添加量、pH值、钼硫比、反应时间对合成环状MoS2微结构及晶体生长的影响,分析了环状结构生长形成的机理.研究结果表明:MoS2形貌主要受CTAB添加量的影响,随着用量的增多MoS2经历了球花状-不规则环状-规则环状-不规则堆积状的递变过程,最佳CTAB添加量为0.5 g.pH值对MoS2的生长发育以及结晶性和微观形貌有显著影响,当pH=3时,所得产物晶体颗粒的圆整度、均一性较好.钼硫比对产物的结晶性和分散性有一定影响,并且影响到环状结构的生长发育,但是过高的钼硫比会造成严重的团聚现象,当钼硫比为1:4时产物的圆整性和分散性较好.反应时间对产物的结晶度有较大影响,随着反应时间的延长结晶度增加,最佳的反应时间为36 h.     

一维Sm2O3纳米晶的可控合成及其光学性能研究

以有机碱二乙烯三胺(EDTA)为碱源,Sm(NO3)3·6H2O为钐源,在不同模板剂辅助条件下采用水热-热处理相结合的方法进行Sm2O3纳米晶的可控合成.利用X-射线衍射仪(XRD)、扫描电子显微镜(SEM)和Lambda 950分光光度计分别对产物的物相、形貌和光学性能进行表征,并研究了未添加模板剂和分别以六亚甲基四胺(HMTA)、聚乙烯吡咯烷酮(PVP)和十六烷基三甲基溴化铵(CTAB)为模板剂条件下对产物的物相、形貌及光学性能的影响.结果表明:以HMTA为模板剂条件下得到了长条状结构的Sm2O3纳米晶,未添加模板剂和分别以PVP和CTAB为模板剂条件下得到了尺寸可控的棒状结构的Sm2O3纳米晶.不同模板剂会影响产物的微观结构及尺寸,进而对其光学性能产生有较大的影响,其中以HMTA为模板剂时所得长条状结构的Sm2O3纳米晶的禁带宽度较小为4.775 eV.     

ZnS-CdS核壳纳米微晶的制备与光学特性

采用微乳液法制备了核壳结构ZnS/CdS纳米微晶.以XRD、TEM表征其结构、粒度和形貌,UV、PL表征其光学性能.制得的纳米微晶近似呈球形,粒径4～5nm.研究了不同CdS壳层厚度的ZnS/CdS纳米微晶的光学性能,PL谱表明壳层CdS的修饰可减少ZnS的表面缺陷,表面态发射和非辐射跃迁减少,带边直接复合发光的几率增大,发光效率大大提高;在壳层CdS达到一定厚度时,PL谱却表现为CdS的特征发射,同时发现核心ZnS对壳层CdS的发光具有增强作用,提出了ZnS/CdS发光机理的能带模型.     

CdS/TiO2纳米管阵列的制备及光催化性能

采用阳极氧化法在纯钛箔上制备出TiO2纳米管阵列,再通过化学水浴沉积法在TiO2纳米管阵列上负载CdS纳米颗粒.利用XRD、FESEM和UV-Vis分光光度计对样品的晶体结构、微观形貌和光学性质进行表征,并研究了不同含量CdS负载的复合薄膜对光催化降解气相苯性能的影响.结果表明,CdS纳米颗粒均匀沉积到TiO2纳米管阵列上,所制备的复合薄膜光吸收带边均扩展到了可见光区.CdS的修饰大幅度提高了TiO2纳米管阵列对气相苯的光催化降解活性,其中负载CdS质量分数为3;的TiO2纳米管阵列光催化活性最佳,80 min内对气相苯的去除率为80;,终产物CO2的浓度为640 mg/m3.     

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.     

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.     

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.