（TiO2-CdS）／SiO2复合粉体的溶胶一凝胶法合成及晶相转变

以钛酸丁脂为原料，CdS纳米晶为掺杂相，通过正硅酸乙脂水解，用溶胶-凝胶法制备(TiO2-CdS)／SiO2复合粉体。用DTA-TG、XRD和TEM对复合粉体进行表征。发现复合粉体中TiO2从无定型向锐钛矿型的相变温度大约为810℃，从锐钛矿型向金红石型的相变温度为900℃；添加少量的二氧化硅明显地抑制二氧化钛晶粒粒径的增大和相变。     

耐高温Al2O3/TiO2纳米复合粉体的制备及表征

以TiCl4、Al2(SO4)3为原料,采用液相沉淀法制备了Al2O3/TiO2纳米复合粉体,同时对该纳米复合粉体的相变过程和晶粒生长过程进行了详细的研究,对紫外-可见光吸收进行了检测.结果表明:纳米TiO2粉体经Al2O3复合后,其耐温性能得到极大提高,复合粉体经950℃煅烧后锐钛矿相含量仍然在77%,晶体粒径在20nm左右;锐钛矿向金红石晶型的转变温度在950～1100℃的高温区.复合粉体在低温煅烧后,紫外-可见吸收强度较纯纳米TiO2有较大提高,高温煅烧后,复合晶的紫外光吸收红移.     

Ce掺杂对TiO_2晶型转变的影响

以钛酸四丁酯以及六水合硝酸铈为原料,采用溶胶-凝胶法制备了纯的和Ce掺杂的TiO2粉体,研究了不同掺杂量对TiO2晶形转变产生的影响。结果表明,Ce离子的掺杂阻碍了TiO2粒子由锐钛矿型向金红石型的转变,拓宽了锐钛矿型TiO2的使用温度范围;TiO2晶粒的尺寸的变化是随着焙烧温度的升高逐渐长大,随掺杂量的增加逐渐减小。TiO2粉体粒子在锐钛矿型状态下,颗粒分散较为均匀,并且无明显团聚现象。     

TiO2纳米粒子热处理过程相变原因研究

通过差热 热重分析(TG DTA)和 X射线衍射分析(XRD)对热处理过程中 TiO2 纳米粒子相变过程进行了研究。结果表明,在热处理过程中, 纯锐钛矿相TiO2 纳米粒子的相变温度与粉体粒径的大小有关,当粉体粒径<21nm时,金红石相的标准自由能大于锐钛矿相,粉体不会发生相变。当粉体粒径增大到21nm以上时,情况相反,粉体可能发生相变,表现出明显的尺寸效应。     

直流电弧等离子体法制备TiO2纳米超细粉

采用直流电弧等离子体法直接制备了晶态的TiO2纳米超细粉,粉体中的晶粒既有锐钛矿结构,也有金红石结构;既有单晶结构的TiO2,也有多晶结构的TiO2.当热处理温度低于600℃时,粉体颗粒的长大较为缓慢,粒径在20nm以下;温度高于700℃时,颗粒迅速长大,锐钛矿向金红石结构的转变明显;当温度达到800℃时,样品转变为单晶结构的金红石型TiO2,颗粒大小在40-120nm之间.     

纳米二氧化钛粉体晶相控制实验研究

在水解－沉淀法制备纳米TiO2粉体的过程中，使用不同的沉淀剂获得了晶相不同的纳米TiO2粉体，使用混合沉淀剂，通过控制沉淀剂的比例，制备了晶相组成（金红石与锐钛矿比例）不同的纳米TiO2多晶粉体，采用相同的粉体制备工艺，不同的后续处理工艺，探讨了锐钛矿向金红石转变的相变温度，经分析研究后认为，水解－沉淀法制备的纳米粉体中的锐钛矿向金红石红转变的温度为500－800℃，完全转变的温度在800℃以上；纳米TiO2多晶粉体的晶相组成不仅与沉淀剂的种类，混合沉淀剂中沉淀剂的比例和粉体的煅烧温度有关，而且与粉体的后续处理工艺和粉体表面界面相的稳定性有关。     

钒掺杂对TiO_2晶型转变的影响

以钛酸四丁酯为原料,利用溶胶-凝胶法制备了纯TiO2粉体和钒(V)掺杂的TiO2粉体,并利用TG-DSC,XRD,SEM等方法对样品进行了表征。结果表明:V的掺杂促进了TiO2粒子由锐钛矿型向金红石型的转变,并使晶型转变温度范围变窄;TiO2晶粒的尺寸随焙烧温度的升高逐渐长大,随掺杂量的增加逐渐减小。TiO2粉体粒子在锐钛矿型状态下,颗粒分散均匀,并且无明显团聚现象。因此,V掺杂TiO2具有良好的光催化活性。     

溶胶-凝胶制备SnO2/TiO2复合材料及其性能研究

采用溶胶-凝胶工艺制备了SnO2/TiO2复合光催化剂.以钛酸丁脂(Ti(C4H9O)4)为前驱体,冰醋酸为螯合剂,通过水解缩聚反应制备纳米TiO2,掺杂不同比例(n(SnO2)/n(TiO2)分别为1%、2.5%、5%)的SnO2对纳米TiO2进行改性,并对1%掺杂的粉体样品进行了不同温度(350～550℃)的焙烧处理.采用浸渍提拉法制备了1%(n(SnO2)/n(TiO2))掺杂的纳米SnO2/TiO2膜.运用X射线衍射(XRD)、透射电镜(TEM)、X射线光电子能谱(XPS)、原子力显微镜(AFM)及光吸收等手段,研究了不同掺杂量、热处理温度及光照时间对TiO2相变和光催化活性的影响.研究结果表明,350℃焙烧时,1%(n(SnO2)/n(TiO2))掺杂的粉体样品出现了合适比例的锐钛矿型和金红石型的混晶结构,具有较高的光催化效率,可达96.55%.而1%(n(SnO2)/n(TiO2))掺杂的纳米SnO2/TiO2光催化膜晶粒尺寸在20～30nm左右,光催化效率为79.6%,低于相同掺杂含量的纳米SnO2/TiO2掺杂光催化剂粉体.     

电子墨水用纳米TiO2白色颗粒的制备

以Ti（OC4H9）4为原料，在溶有聚乙烯醇或聚乙烯吡咯烷酮分散剂的溶液中直接水解、胶溶，制备出单分散性、热稳定性良好，平均粒径在500nm的电子墨水用TiO2纳米微粒。研究了Ti（OC4H9）4浓度、水解时间、溶剂加入方式对纳米微粒粒径的影响。对样品进行了TG-DTA，XRD和SEM分析。结果表明：样品经真空干燥后，TiO2粉体主要为无定形胶体，随焙烧时间增加和温度升高，在450℃粉体从无定形向锐钛矿型转变，在900℃保温3h从锐钛矿型向金红石型转变，粉体粒径也有一定增大，1200℃保温3h，仅含有金红石相，粉体为实心球体，表面光滑。     

FePc敏化锐钛矿型TiO2的低温制备及性能研究

采用溶胶-凝胶法在低温(50～80℃)下制备得到铁酞菁(FePc)染料敏化的TiO2粉体.利用X射线衍射、红外光谱、光电子能谱、紫外-可见光漫反射光谱对光催化剂的晶相结构、吸收光谱特征进行了表征,结果表明,所制备的复合粉体中TiO2为锐钛矿型,且晶粒细小;FePc敏化的TiO2在可见光区域的吸收有所增强.光催化氧化实验表明,经FePc敏化的锐钛矿型TiO2粉体,在普通日光灯下对甲基橙具有良好的光催化活性.     

VLE data for CO2-CF2Cl2, N2-CO2, N2-CF2Cl2 and N2-CO2-CF2Cl

Knowledge about vapour-liquid (VLE) is required as a basis of reliable calculations for separation processes. Correlations available for the prediction of T, p, x, y data are less accurate for mixtures at high pressures and mixtures containing supercritical components. The results of VLE experiments are reported and compared with data calculated with equations of state.     

Preparation of ZrO2-CeO2 and HfO2-CeO2 nanopowders

We prepared weakly agglomerated powders of ZrO₂-CeO₂ and HfO₂-CeO₂ solid solutions 5–8 nm in particle size, consisting of monoclinic and tetragonal phases. After heat treatment at 1200°C, the crystallite size was 30 and 14 nm, respectively. We also examined the effect of precipitate freeze drying on the crystallization of hafnia-based solid solutions containing up to 20 mol % CeO₂.     

Thermal diffusion in binary mixtures H2-CCl2F2 and H2-CHClF2

Thermal diffusion coefficients were measured in two gaseous mixtures, in which one component was close to the critical temperature, in the pressure range (19.6–127.4)·10⁴ N/m² and at a freon concentration of 0.25–0.8.     

Comparison of the Electronic Structures of La2CuO4, Sr2CuO2Cl2, and Sr2CuO2F2

First-principles cluster calculations are reported of the local electronic structure of the three compounds: La₂CuO₄, Sr₂CuO₂Cl₂, and Sr₂CuO₂F₂. The copper ${\text{3d}}_{x^2 - y^2 } $ and the planar oxygen 2p _σ atomic orbitals exhibit a similar degree of covalency. The out-of-plane orbitals, however, are quite different with the ${\text{3}}d_{3z^2 - r^2 } $ atomic orbital lowered significantly in energy for chlorine and fluorine apical positions.     

Radial GRIN glasses in Li2O-Na2O-Al2O3-TiO2-SiO2 systems

A series of GRIN glass rods have been developed in Li2O-Na2O-Al2O3-TiO2-SiO2 systems. Negative radial refractive index profiles were generated by exchanging Na+ for Li+ ions in these glass rods. It has been observed that TiO2 plays a vital role in increase in the profile depth and maximum change in the refractive index because of its ambivalent nature. Change in the refractive index can be further increased by increasing the concentration of exchanging cation in the base glass.     

Elastic and Electronic Properties of Superconducting CaPd 2 As 2 and SrPd 2 As 2 vs. Non-superconducting BaPd 2 As 2

The first-principles calculations were performed to predict the elastic and electronic properties of the superconducting ThCr₂Si₂-type phases CaPd₂As₂ and SrPd₂As₂ in comparison with the non-superconducting CeMg₂Si₂-type phase BaPd₂As₂. Besides, the same properties were compared for CeMg₂Si₂- and ThCr₂Si₂-type polymorphs of BaPd₂As₂. We found that all these phases are mechanically stable and belong to soft materials with low hardness. The near-Fermi region is formed by the valence states of the blocks [Pd₂As₂] with decisive contributions of Pd 4d states. The values of N(E _F) increase in the sequence: CaPd₂As₂ < SrPd₂As₂ < BaPd₂As₂, i.e. in the reverse sequence relative to the transition temperatures T _C. Thus, the change in T _C cannot be explained by the electronic factor, i.e. by the simple correlation T _C～N(E _F). Most likely the decrease in T _C in the sequence CaPd₂As₂ → SrPd₂As₂ and the absence of a superconducting transition in BaPd₂As₂ are related to the structural factors and the peculiarities of the electron–phonon coupling mechanism.     

Si_2N_2O-Al_2O_3-La_2O_3和Si_2N_2O-Al_2O_3-CaO系统的亚固相关系

本文给出了 Si_2N_2O-Al_2O_3-La_2O_3和 Si_2N_2O-Al_2O_3-CaO 系统的亚固相图。实验结果表明:在 Si_2N_2O-Al_2O_3-CaO 系统中有一个未知结构的新化合物 CaO·Si_2N_2O,在3CaO·Si_2N_2O 和3CaO·Al_2O_3两化合物之间形成连续立方固溶体。而 Si_2N_2O-Al_2O_3-La_2O_3系统中则没有发现新化合物。在两个系统的富 Si_2N_2O区,过量的 Si_2N_2O 与 La_2O_3和 CaO 分别反应形成 Si_3N_4与 La_(10)[SiO_4]_(?)N_2(H-相)(和 CaSiO_3。所研究的这两个三元系统中,分别形成了如下几个四元相容性区。在 Si_2N_2O-Al_2O_3-La_2O_3系统内有:H-Si_3N_4-La_2O_3·Si_2N_2O-La_2O_3·Al_2O_3;H-Si_3N_4-La_2O_3·Al_2O_3-La_2O_3·11 Al_2O_3;H-Si_3N_4-La_2O_3·11 Al_2O_3-Al_2O_3;H-Si_3N_4-Al_2O_3-O′s.s;H-Si_3N_4-O′s.s-Si_2N_2O在 Si_2N_2O-Al_2O_3-CaO 系统内有:Si_3N_4-CaSiO_3-CaO·Si_2N_2O-3CaO·Al_2O_3;Si_3N_3-CaSiO_3-3CaO·Al_2O_3-2CaO·Al_2O_3·SiO_(?);Si_(?)N_(?)-CaSiO_3-2CaO·Al_2O_3·SiO_2-Al_2O_3;Si_3N_4-CaSiO_3-Al_2O_(?)-O′s.s;Si_3N_4-CaSiO_3-O′s.s-Si_(?)N_(?)O