晶面可控氯氧铋的制备及光催化性能研究

利用水热法通过调节溶液的pH值制备了[001]晶面和[010]晶面的BiOCl.利用XRD、Raman、DRS及BET等对其结构及性能进行了表征,通过双酚A(BPA)降解及CO2还原实验考察了样品的光催化性能.研究表明,BiOCl[010]面催化剂的BPA降解速率及产生甲酸甲脂(MF)的速率分别是BiOCl [001]面催化剂的1.75倍、1.2倍.BiOCl[010]具有较高光催化活性的原因在于BiOCl[010]具有较大的比表面积和开放的孔道特性.     

BiOCl/ZnO异质结型复合光催化剂的水热合成及其光催化性能

以醋酸锌、氯化钠、硝酸铋和氧氧化钠为原料,利用水热法合成了含BiOCl为1wt;、2wt;、4wt;、8wt;和16wt;的异质结型BiOCl/ZnO复合光催化剂.采用X射线粉末衍射(XRD)、扫描电镜(SEM)、傅里叶变换红外光谱(FT-IR)、紫外可见漫反射光谱(UV-Vis DRS)和光致发光(PL)谱等系列手段对所制备的光催化剂进行了表征.以紫外光(254 nm)为光源,酸性橙Ⅱ为光催化反应降解模型,进行光催化活性测试,考察了复合BiOCl对ZnO光催化剂反应活性和稳定性的影响.研究表明,异质结型BiOCl/ZnO复合光催化剂的光催化性能明显优于纯ZnO.当复合BiOCl的含量为4wt;时,光催化活性最佳,为纯ZnO的3.4倍,同时该催化剂在循环使用中具有更好的稳定性.     

PtO-Pt-BiOCl Z-型异质结光催化剂的制备及其性能研究

本文以Bi(NO3)3·5H2O为原料,采用操作简单、过程环保、能耗低的水热法,制备得到BiOCl半导体光催化材料;再采用光还原法,将贵金属Pt和PtO同时负载到BiOCl表面上,进行催化剂改性.在模拟太阳光条件,降解甲基橙(MO)评价催化剂的光降解活性.实验结果表明:与Pt-BiOCl和BiOCl光催化活性对比,PtO-Pt-BiOCl催化剂具有更好的光催化降解效果.PtO,Pt和BiOCl三组份之间的Z型电子传递路径是其光催化性能提升的主要原因.本文论证了PtO在光催化有机污染物降解反应过程当中的作用机制,为PtO在光催化领域的应用提供理论指导.     

石墨烯/Fe3O4/ZnO磁性纳米催化材料的制备及其性能研究

以石墨烯为助催化剂,借助水热法合成石墨烯/Fe3O4/ZnO磁性纳米复合光催化材料对ZnO改性.光催化降解测试显示复合材料对对硝基苯酚和罗丹明B降解率可分别达到95.7;和94.2;,重复试验3次后,降解率仍超过90;.对复合材料在光催化体系中磁性回收利用进行了研究,其饱和磁化强度为23.05 emu·g-1,并讨论了其光催化反应机理.     

BiOCl/AgCl复合材料可见光光催化活性和稳定性研究

采用化学共沉淀法合成BiOCl/AgCl复合催化剂,利用XRD、SEM、XPS、ICP、DRS、EIS等表征对所制备的样品进行了分析,通过在可见光下降解甲基橙(MO)来评价催化剂的催化活性和稳定性,结果表明与纯AgCl相比,BiOCl/AgCl复合催化剂具有较好的光催化活性和稳定性,这是因为BiOCl的复合既能加速电子的转移,提高光生电子-空穴对的分离率,又能够有效地抑制AgCl在光催化反应过程中的溶解.     

不同沉淀剂下水解法制备BiOCl的光催化性能研究

以Bi(NO3)3·5H2O为原料,乙二醇(ethylene glycol,EG)为溶剂,采用水解法,在不同沉淀剂(NH3·H2O,Na2CO3和CO(NH2)2)条件下制备了BiOCl光催化剂.使用X射线衍射(XRD)、扫描电镜(SEM)、N2物理吸附、紫外可见漫反射(DRS)、光致发光(PL)光谱等手段对所制样品进行了表征.以甲基橙染料为降解物,评价了不同沉淀条件对BiOCl光催化性能的影响.结果表明,不同沉淀条件对BiOCl光催化剂的结晶度、晶粒尺寸、形貌、禁带宽度、光生电子空穴对分离效率有明显的影响,进而影响了其光催化活性.其中以尿素为沉淀剂制得的催化剂BiOCl-3在模拟太阳光下降解甲基橙(MO)实验中显示了良好的光催化效率,光照60 min后对MO的降解效率达97;.BiOCl-3较高的光催化活性是由于其具有较高的结晶度、均匀的片状结构、较窄的带隙(2.9 eV)和较高的光生电子-空穴对分离效率.自由基和空穴捕获实验证明,光生空穴是BiOCl-3光催化反应体系中的主要活性物种.此外,所制备的BiOCl-3光催化剂具有较高的光催化稳定性,重复使用4次后对甲基橙的降解率仍保持在89;以上.     

RuO2/BiOCl复合光催化剂的制备及其固氮性能研究

BiOCl在光催化固氮领域中有着广阔的应用价值，但其光生电子-空穴对的快速复合限制了其应用和发展。本文首先采用水解法制备了一种具有丰富氧空位的新型RuO₂/BiOCl复合光催化剂，并利用X射线衍射仪、扫描电子显微镜、透射电子显微镜、X射线光电子能谱、紫外-可见漫反射光谱、光致发光光谱、电子顺磁共振等对其进行了表征，采用300 W氙灯为模拟太阳光源，评估了其光催化固氮性能。结果表明：当复合催化剂中RuO₂负载量达到0.2%(质量分数)时，RuO₂/BiOCl具有更好的固氮活性，在光照1 h后其最佳活性达到了131.9μmol/L。相较纯BiOCl催化剂，其固氮性能提升了3.5倍。最后，本文对催化剂的反应机理进行了相关探索，为制备具有更高固氮活性的光催化剂提供参考。     

化学沉淀法制备纳米Fe/TiO2及其光催化活性的研究

以TiCl4为钛前驱体,氨水为沉淀剂,氯化铁为掺杂离子给体,采用化学沉淀法,制备了纯的与铁掺杂的TiO2纳米光催化剂.采用XRD、差热-热重等分析方法对产物进行了表征.通过苯酚水溶液的光催化降解实验研究了样品的光催化性能,考察了Fe3+掺杂量、苯酚溶液的pH值对光催化活性的影响.结果表明:Fe3+掺杂抑制了晶粒长大,细化了晶粒.Fe3+取代晶格中Ti4+的位置或进入间隙位置,引起晶格畸变.适量的Fe3+掺杂能减少光生电子与空穴的复合,提高光催化剂的光催化性能.在本实验条件下,Fe3+掺杂量为0.1 mol;,苯酚溶液的pH为9时,纳米TiO2具有最佳的光催化性能,在20 W 紫外灯照射下降解16 h,降解率达到89.3;.     

石墨烯/Fe3O4/TiO2磁性纳米复合材料的光催化性能研究

利用石墨烯纳米(GNs)片作为载体,将钛酸四正丁酯包裹Fe3O4纳米粒子的微乳液通过搅拌和超声负载于其表面或镶嵌于其二维结构的片层间,制备GNs/Fe3O4/TiO2磁性复合光催化材料.通过FrIR、SEM、TEM、EDX、XRD、VSM等手段对样品进行了表征,并对其光催化机理进行了分析.测试结果表明,TiO2含量对复合材料的光催化性能有显著影响,对对硝基苯酚和罗丹明B的光催化降解率最高分别可达96.0;和98.3;.     

电化学法合成BiOCl薄膜及其光催化活性研究

以金属Bi板为阳极,石墨为阴极,NaClO为电解液,在室温下用电化学法一步合成了BiOCl薄膜光催化剂.采用X射线衍射(XRD)、紫外可见漫反射(DRS)、扫描电镜(SEM)、透射电子显微镜(TEM)对其组成、光学特性和形貌进行表征.以500 W氙灯为光源,磺胺甲恶唑为目标降解物,研究了NaClO用量、电解电流大小、EDTA添加量以及电解溶液初始pH不同制备条件下对所得BiOCl薄膜催化活性的影响.结果表明,合成的BiOCl-0薄膜为组分单一、均匀的片状结构,在模拟太阳光下照射150m in,磺胺甲恶唑的降解率达89.8;,而且该薄膜具有较好的光催化稳定性.     

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...     

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.     

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.     

A SAXS study of kinetics of aggregation of silica sols

SAXS in situ experiments on the evolution of TMOS solutions during hydrolysis and polycondensation lead to power laws with scaling exponents ≈ 2. It is suggested that this could be the result of the polydispersity of the samples and that only an apparent fractal dimension can be obtained in this way. Kinetic studies tend to indicate that agglomeration in the sol is the result of a diffusion-controlled process.     

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.     

Investigation of the Mechanism of Influence of Stress Corrosion on the Development of Macroplastic Instabilities of Aluminum–Magnesium Alloy

Crystallography Reports - Macroscopic jumps of plastic deformation (few percent in amplitude) on creep curves of aluminum–magnesium alloy, caused by a local effect of concentrated solution of...     

Study of the possibility of interactive control of the surface profile of X-ray optical elements

We investigate the possibility of controlling the curvature parameters of parabolic mirrors that are modular elements of two types consisting of a base and thin inserts placed at the opposite side of the work surface. In the first type of modular elements, bending is controlled by the difference in the coefficients of the thermal expansion of the base and inserts. In the second type of elements, the profile is changed by the piezoelectric straining of the inserts under an electric field. A correlation is established between the parameters of modular elements and their surface curvature profile.     

Mechanism of thermal expansion of structural modifications of zinc pyrovanadate

Crystal chemical characteristics of the α and β modifications of Zn₂V₂O₇ are calculated based on in situ high-temperature X-ray measurements. The expansion of the structure is found to be strongly anisotropic up to the negative volumetric thermal expansion of the α-Zn₂V₂O₇ unit cell in the temperature range of 300–600°С, α _V =–17.94 × 10^–6 1/K. The transformations of the “hard” and “soft” sublattices with an increase temperature and at the phase transition are considered in detail. It is shown that the negative volumetric thermal expansion of α-Zn₂V₂O₇ is due to the degeneracy of the zigzag-like shape of zinc–oxygen columns at constant distances between their vertices.     

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.