钨酸盐晶体中负离子配位多面体的结晶方位与晶体的形貌

钨酸盐类晶体是重要的闪烁晶体．本文从钨酸盐类晶体中负离子配位多面体的结晶方位和相互联结的稳定性出发，探讨了钨酸盐类晶体中[WO4]2-等负离子配位多面体的结晶方位与晶体结晶形貌之间的关系；认为[WO4]2-四面体与金属阳离子（Ca2＋，Pb2＋，Zn2＋）结合时，由于晶体结构和生长条件（如籽晶取向等）的不同，在晶体各族晶面上的叠合速率和结构取向不同，晶体的结晶形貌迥然有别；四面体的面和梭的法线（L2）所对向的晶面，生长速率慢，顽强显露，均属晶体的板面；四面体的顶角所指向的晶面，生长速率快，显露面积小，经常消失．由此可以合理解释钨酸铅等闪烁晶体的生长特征．最后对ABO4型晶体的结构及习性特征进行了总结归纳．     

硫酸盐类晶体中[SO4]2-四面体的结晶方位与晶体的形貌

本文从硫酸盐类晶体中负离子配位多面体的结和相互联结的稳定性出发，探讨了硫酸在晶体中「ＳＯ４」＾２－结晶方位与晶体结晶形貌之间的关系；认为「ＳＯ４」＾２－四面体与金属阳离子结合时，由于晶体结构和生长条件（如温度、过饱和度等）的不同，在晶体各族晶面上的叠合速率和取向不同，晶体的结晶形貌迥然有别。晶体的结晶形貌与「ＳＯ４」＾２－四面体在晶体中的结晶方位一密切相关，四面体的面和棱的法线（Ｌ＾２）所对向的对     

磷酸盐晶体中络阴离子结晶方位与晶体形态

研究了磷酸盐类晶体中的络阴离子[PO4]-和[CaP6O24]16-在晶体中的结晶方位,与[ClCa6]11 八面体相互联结的稳定性决定了各个面族的生长速率.根据磷灰石各族晶面显露的习性,提出了采用人工生长的磷灰石做人工关节时,应该注意磷灰石的取向问题．平行于C轴方向生长的磷灰石有利于与人体骨骼的快速愈合．     

若干晶体中氧八面体结晶方位与晶体形貌

本文从结晶化学角度出发，研究了ＡＢ和Ａ２Ｂ３和ＡＢＯ３型氧化物晶体中的氧配位八面体的结晶方位与晶体结晶形貌之间的关系，提出晶体的结晶形貌是受晶体中负离子配位多面体结构和结晶方位所制约的。配位多面体顶角所对向的晶面生长速率最快，而面所对向的晶面生长速率最慢，配位体的棱所对向的晶面，生长速率居于两者之间，负离子配位多面体在晶体中的各个面族上连接和稳定性，决定了晶面的显露程度和晶体的结晶形貌。     

Al-ZrOCl2体系原位生成Al3Zr的孪晶生长

借助于XRD和TEM研究了Al-ZrOCl2体系熔体反应生成的原位复合材料，结果表明：内生增强体为Al3Zr和Al2O3颗粒，Al3Zr晶体形貌主要以多面体和长方体形状为主，其平均尺寸约为1．26μm，最大尺寸为4μm，纵横比在1.5-2.0之间。这两种形状的晶体表面均存在生长小面（facet)，首次发现Al3Zr晶体以孪晶方式生长，孪晶面为（1，1^-,4^-),孪生方向为[2,2^-,1]。对Al3Zr晶体的结构分析发现，该晶体存在四个密排面，它们分别是（1，1，4），（1^-,1^-,4),(1,1^-,4)和（1^-,1,4)。     

人工烟水晶蚀象形貌的研究

对不同掺杂量的人工烟水晶 Y 棒和未掺杂水晶 Y 棒 c 面、±x 面作 HF 酸腐蚀,然后进行扫描电镜蚀象形貌观察。观察到 c 面腐蚀后出现的三方锥体和对应的蚀坑与水晶中三方偏方面体单形方位一致。±x 面蚀坑形貌特征进一步表明了该单形在烟水晶生长中的显露。指出了在±x 这两个面族上蚀坑形貌的方位与晶体内部结构中 Si—O_4四面体在 x 轴方向褶叠螺旋环的旋向一致,使晶体表面形貌与晶体内部结构由表及里有机地联系起来。     

酒石酸还原Cu(Ⅱ)制备多种形貌Cu_2O晶体及形成机理

以CuSO_4·5H_2O为原料,KOH为添加剂,酒石酸为还原剂,在水热条件下通过调整相关的实验参数,制备了一系列不同形态的Cu_2O微-纳米晶体及三维十字形枝晶。采用XRD、SEM等手段对不同形态的Cu_2O晶体进行了表征,探讨了不同因素变化对Cu_2O晶体形态的影响。分析认为,晶体生长过程控制了晶体的具体形貌和大小,Cu_2O晶体显露的单形晶面随晶体生长条件的变化而不同。在低温、弱碱性、高浓度溶液中有利于形成八面体形态的Cu_2O晶体,而菱形十二面体单形晶面在高温、强碱性、低浓度溶液中形成的晶体中显露的面积有所增大。     

高温闪烁晶体Ce:YAP中的小角度晶界

通过腐蚀形貌和XRD摇摆曲线,观察到了垂直和平行于Ce:YAP[010]方向的两组晶面内存在的小角度晶界(镶嵌结构间界),根据SEM形貌估算出(010)面内小角晶界的夹角为51”;四晶XRD摇摆曲线的结果表明,平行于[010]向的晶面内小角晶界的夹角为58”;摇摆曲线的半峰宽为54”,根据Darwin理论算出理想晶体的半峰宽为17”,并由此分析了晶体的完整性.     

CVD金刚石薄膜(111)与(100)取向生长的热力学分析

用非平衡热力学耦合模型计算了CVD金刚石薄膜生长过程中C2H2与CH3浓度之比[C2H2]/[CH3]随衬底温度和CH4浓度的变化关系,从理论上探讨了金刚石薄膜（111）面和（100）面取向生长与淀积条件的关系。在衬底温度和CH4浓度由低到高的变化过程中,[C2H2]/[CH3]逐渐升高,导致金刚石薄膜的形貌从（111）晶面转为（100）晶面。添加氧后C2H2与CH3浓度都将下降,但C2H2下降得更多,因而添加氧也使[C2H2]/[CH3]下降,从而有利于生长（111）晶面的金刚石薄膜。     

聚环氧琥珀酸对水泥浆体铝离子配位结构的影响机理

采用XRD、29Si和27 Al NMR等测试手段,研究了聚环氧琥珀酸对水泥浆体铝离子配位结构的影响机理。结果表明,聚环氧琥珀酸能阻止硅酸盐矿物水化,抑制掺杂在Alite和Belite矿中的四配位铝(Al[4])参与水化,不利于铝氧四面体进入到C-S-H结构取代硅氧四面体,促使浆体中Al[4]向六配位铝(Al[6])转化。聚环氧琥珀酸掺量存在一个最佳值,掺量较小时,聚环氧琥珀酸与水泥浆体中Ca2+键合后带正电荷,极易与SO42-结合形成螯合物,促使AFt、AFm中Al[6]向TAH(Third aluminum hydrate)中Al[6]转化,达到抑制AFt、AFm结晶的作用;当掺量较大时,聚环氧琥珀酸通过Ca2+桥连另外的聚环氧琥珀酸形成环状结构,降低了聚环氧琥珀酸固化SO42-的程度,进而使大量TAH中Al[6]逐步向AFm、AFt中Al[6]转化,反而促进了AFt结晶形成。     

Hydrothermal synthesis and electrochromic properties of potassium tungsten oxide nanorods

Hexagonal K2W4O13 nanorods have been synthesized by hydrothermal treatment of the WO3 x H2O precipitate at 180 degrees C in the presence of K2SO4. The K2W4O13 nanorod single crystals of approximately 12 nm in diameter and tens to few hundreds nm long with the principal axis along the (001) direction were obtained when hydrothermal treatment was conducted in the presence of sufficient amount of K2SO4 while shorter nanorods with the same preferred orientation were obtained when less amount of K2SO4 was employed. On the other hand, square platelets of approximately 100 nm wide were obtained when prepared in the absence of the K2SO4. The important role of K2SO4 on morphological control of the hydrothermal products was explained based on selective adsorption of the sulfate ions on the crystal planes parallel to the (001) direction retarding the growth of these faces. The nanorod film showed satisfactory electrochromic property and can be used as a promising material in electrochromic application.     

电流密度对甲基磺酸盐电沉积亚光锡的影响

在甲基磺酸盐电镀溶液中进行恒电流电沉积亚光锡镀层实验,考察电流密度对镀液极化性能、阴极过电位、电流效率、沉积速率及镀液分散能力的影响。利用SEM和XRD分析不同电流密度所得锡镀层的表面形貌和结晶取向。结果表明:随着电流密度增大(0.5～4A.dm-2),镀液的阴极极化增大,电流效率先增加后降低,沉积速率不断加快,但镀液分散能力有所下降;晶体由"向上生长"模式逐渐转变为"侧向生长"模式,择优取向由(321),(431)晶面转变为(112),(332)晶面;添加剂吸附在晶体表面,降低了被吸附晶面的表面自由能,使这些晶面的生长速率下降,从而改变了镀层择优取向和晶体生长的方式。     

四硼酸锂晶体解理的形成机理

本文从结晶化学角度研究了Ｌｉ２Ｂ４Ｏ７晶体结构，根据晶体的结构基元为［Ｂ４Ｏ９］＾６－络阴离子，并用计算机绘出了该络阴离子在｛００１｝，｛１００｝，｛１１０｝面上的投影，由［Ｂ４Ｏ９］＾６－络阴离子的结晶方位和分布确定了晶体的开裂是沿着络阴离子之间相连接的桥氧部位所断裂的。     

Synthesis and crystal structure of the inter-alkali metal iodide Cs2Li3I5

Cs₂Li₃I₅ was obtained from the reaction of CsI, Li and I₂ in a sealed tantalum tube and colorless single crystals grown from the melt by slow cooling. This first inter-alkali metal iodide crystallizes in the monoclinic crystal system (C2/m, Z= 2) with a= 1666.8(6), b= 472.1(1), c= 1098.7(4) pm, β= 115.73(3)°. As the result of a x-ray crystallographic structure determination (R= 0.069, R_W= 0.066), Li⁺ is surrounded tetrahedrally (two thirds) and octahedrally (one third) by iodide. Cornersharing double chains of [LiI₄] tetrahedra are connected with edge-sharing chains of [LiI₆] octahedra to a layer of the composition [Li₃I₅]. Bicapped trigonal prisms [CsI₃] share faces and edges so that a network of the composition [Cs₂I₅] is formed which contains the necessary tetrahedral and octahedral holes for Li⁺.     

The route to fullernoid oxides

Tetrahedral oxides, like silicates and aluminates, have attracted great interest due to their potential for numerous applications in various fields ranging from catalysis, ion exchange and molecular sieves, to thermo- and photoluminescence. In spite of their tetrahedral character, no effort has been made to date for establishing structural relationships between these tetrahedral oxides with different forms of carbon, for example, fullerenes. Here, we report for the first time an oxide that exhibits a three-dimensional framework of AlO4 tetrahedra forming huge 'Al84' spheres, similar to those of the D2d isomer of the C84 fullerenes. These Al84 spheres, displayed in a face-centred-cubic lattice, are easily identified by high-resolution electron microscopy. We also show that this Sr33Bi24+delta Al48O141+3 delta/2 aluminate exhibits an onion-skin-like subnanostructure of its Bi/Sr/O species located inside the Al84 spheres. The role of the original pseudo-spheric anion [Bi16O52-n empty square box n]-with n vacancies (empty square box)-in the stabilization of such a structure is discussed. This structure seems to be promising for the generation of a large family of fullerene-type (fullerenoid) oxides with various properties.     

Epitaxial growth of AlN on single crystal Mo substrates

We have grown AlN films on single-crystalline Mo(110), (100), and (111) substrates using a low temperature pulsed laser deposition (PLD) growth technique and investigated their structural properties. Although c-axis oriented AlN films grow on Mo(100), the films contain 30° rotated domains due to the difference in the rotational symmetry between AlN(0001) and Mo(100). AlN films with only poor crystalline quality grow on Mo(111) substrates, probably due to the poor surface morphology and high reactivity of the substrates. On the other hand, single crystal AlN films grow epitaxially on Mo(110) substrates with an in-plane relationship of AlN[11-20] // Mo[001]. Reflection high-energy electron diffraction or electron backscattered diffraction analysis has revealed that neither in-plane 30° rotated domains nor cubic phase domains exist in the AlN films. X-ray reflectivity measurements have revealed that the heterointerface between AlN and Mo prepared by PLD at 450 °C is quite abrupt. These results indicate that PLD epitaxial growth of AlN on single crystal Mo substrates is quite promising for the fabrication of future high frequency filter devices.