K_2H(IO_3)_2Cl单晶中子衍射结构分析

利用中子四圆衍射仪收集了K_2H(IO_3)_2Cl单晶的衍射数据共481个,其中独立衍射351个。利用SHELX程序做了Fourier合成及差值Fourrer合成,并用OR XFLS4程序做了最小二乘法修正(其中包括各向同性及各向异性消光修正),R因子达到3.3％,确定了结构中氢原子的位置,肯定了氢键的存在。     

Bi2Pb2V2O10的晶体结构

使用X射线单晶衍射法测定了Bi₂Pb₂V₂O₁₀的结构。该晶体属三斜晶系,空间群为C₁¹-P1,单位晶胞内化学式数Z=1,晶胞参数为:a=7.084(4)?,b=7.278(3)?,c=5.587(3)?,α=111.91(5)°,β=95.01(6)°,γ=108.86(4)°,V=245.70?³,D_x=7.35g/cm³,μ(MoK_α)=678,94cm^-1,F(000)=456。用Patterson函数分析及Forier技术测定了结构,对原子坐标、各向同性及各向异性热参数进行了最小二乘方修正,R=0.079。结构分析表明,Bi₂Pb₂V₂O₁₀的Pb原子与O原子形成八角十二面体,Bi原子与O原子形成六角多面体。两个共棱的Pb—O多面体与两个共棱的Bi—O多面体相连,并沿bc平面无限延伸。讨论了吸收的影响。最后,将Bi₂Pb₂VO₁₀的结构与Pb₂SO₅的结构进行了比较。 关键词：     

钪钇石型β-Mn2V2O7的水热合成、结构表征与反铁磁性

用水热法新工艺在温度为200—220℃,pH值为6—9条件下合成出Mn₂V₂O₇粉晶.利用X射线衍射(XRD)、扫描电子显微镜(SEM)、能谱分析(EDS)、透射电子显微镜(TEM)、高分辨透射电镜(HRTEM)和电子衍射(SAED)分析了其物相、形貌及微结构,结果表明:合成产物均为单斜晶系的钪钇石型β-Mn₂V₂O₇;当合成温度为200℃时,pH值为6—7时合成产物的形貌为 关键词： 水热法 2V₂O₇')" href="#">β-Mn₂V₂O₇ 结构与形貌 反铁磁性     

合成温度和N2/O2流量比对碳纤维衬底上生长的SnO2纳米线形貌及场发射性能影响

采用化学气相沉积法系统研究了合成温度和N₂/O₂流量对生长在碳纤维衬底上的SnO₂纳米线形貌及场发射性能的影响规律. 利用扫描电镜(SEM)、透射电镜(TEM), X射线衍射(XRD)及能谱仪(EDS)对产物细致表征, 结果表明, SnO₂纳米线长径比随反应温度的升高而增大; 随N₂/O₂流量比值的增大先增大后变小, 场发射测试表明, 合成温度780 ℃, N₂/O₂流量比为300 : 3 时SnO₂纳米线阵列具有最佳的场发射性能, 开启电场为1.03 V/μm, 场强增加到1.68 V/μm时, 发射电流密度达0.66 mA/cm², 亮度约2300 cd/m².     

Y2O3-Eu2O3-SnO2三元系固相线下相关系及其发光性质研究

采用固态反应法及改良固态反应法合成了一系列Y₂O₃-Eu₂O₃-SnO₂体系中的试样，利用X射线粉末衍射法测定了Y₂O₃-Eu₂O₃-SnO₂三元系固相线下的相关系.结果表明，Y₂O₃-Eu₂O₃二元系 关键词： 2O₃-Eu₂O₃-SnO₂三元系')" href="#">Y₂O₃-Eu₂O₃-SnO₂三元系 烧绿石型结构 激发光谱 发射光谱     

溶胶-凝胶法合成蓝色荧光粉SrAl2Si2O8：Eu2+

采用溶胶-凝胶(Sol-gel)法以相应的硝酸盐和正硅酸乙酯(TEOS)为反应物在85℃水浴制得胶体,并将干燥后的胶体前驱物在较低温度(921℃)下还原制得蓝色发光材料SrAl₂Si₂O₈:Eu²⁺。分别以热重(TG)-差示扫描量热(DSC)、X射线粉末衍射(XRD)、光致发光(PL)对合成产物进行了表征。并深入研究了溶胶-凝胶法制备过程中的影响因素,如pH值、乙醇含量、柠檬酸含量等,确定了合成SrAl₂Si₂O₈:Eu²⁺的最佳条件。XRD分析表明,当金属离子与柠檬酸的量的比为1:1,无水乙醇的量至少保证TEOS完全溶解于其中,溶液pH值为1.0~2.0时,可得到纯的SrAl₂Si₂O₈六方物相。发光分析表明,产物在监测463nm波长下的激发峰为327nm,在394nm激发下的发射光谱峰为468nm。     

高离化类铍离子2s21S0—2s2p3P1(Z=10—103)自旋禁戒光谱跃迁

利用全相对论性多组态Dirac-Fock平均能级(MCDF-AL)方法系统地计算了高离化类铍离子自 旋禁戒2s^{2 1}S₀—2s2p³P₁(Z= 10—103)跃迁的能级间隔和跃迁概率,计算中考虑了重要的核的有限体积效应,Breit修正 和QED修正,所得结果和最近的实验数据及理论计算值进行了比较,结果表明：高原子序数 的高荷电离子的自旋禁戒跃迁的跃迁概率和中性原子的电偶极E1的相当,在ICF和MC 关键词： 高离化态 跃迁概率     

固相反应时Bi1.92Pb0.32Sr2Ca1.7Mg0.3Cu3.07Ox超导体中2223相的生长

用固相反应法合成了名义组分为Bi_1.92Pb_0.32Sr₂Ca_1.7Mg_0.3Cu_3.07O_x的块状样品。X射线衍射谱(XRD)、扫描电子显微镜(SEM)和电子探计X射线分析(EDAX)结果以及块状和粉状试样的交流磁化率测量表明,样品中存在110和85K两个超导相;2223相(110K)首先在2212相(85K)晶体的晶界和外部区域生成。本文认为,最初存 关键词：     

Pd2Si的生成对Pd/Si多层膜衍射性能的影响

本文研究了Pd₂Si的生成对周期性Pd/Si多层膜X射线衍射性能的影响。X射线衍射强度的测量数据表明Pd₂Si的生成对长周期多层膜的衍射强度影响不大,但对短周期多层膜衍射强度的影响较大。在引入折射率修正后,我们不仅用单个峰的位置计算了多层膜的周期,而且还用了以两个峰的位置联立消去折射率修正的方法计算了多层膜的周期,前者的误差大于后者。模拟计算的结果说明:均匀Pd₂Si层的生成不足以解释Pd/Si多层膜衍射强度随退火温度的变化,界面的平整化或粗糙化是影响衍射强度的另一个要素。 关键词：     

LED用绿色荧光粉BaSi2N2O2:Eu2+的发光和封装性能

采用高温固相法合成了白光LED用蓝绿色荧光材料BaSi₂N₂O₂:Eu²⁺。用X射线衍射(XRD)、光致发光(PL)等对荧光材料进行了表征。XRD结果表明,所制备的样品为较好的单相。BaSi₂N₂O₂:Eu²⁺在395 nm和460 nm激发下均具有较高的发射强度,发射峰位于492 nm附近。当Eu²⁺的摩尔分数为4%时,可以获得最佳的样品发光强度。将荧光材料封装在紫外和蓝光芯片上制作了LED器件,两种器件均发射出强的蓝绿色荧光,色坐标分别为(0.092 0,0.428 2)和(0.112 9,0.223 0)。     

2H-Nb0.9Ta0.1Se2中磁通涡旋输运的标度行为

测量了2H-Nb_0.9Ta_0.1Se₂单晶样品在不同电流下电压随磁场变化的曲线V(H),并从V(H)曲线得到V(I)数据.使用标度关系V=α(I-I_c)^β进行了拟合,得到了临界电流随磁场I_c(H)和微分电阻随磁场R_d的变化关系.在微分电阻随磁场变化的曲线中,电流较大时,靠近上临界磁场H_c2附近出现一个强峰,而在低电流下,该峰消失.同 关键词： 磁通涡旋 标度定律 临界电流峰效应     

Triply hydrogen bonded van der Waals complexes: CH2F2?CF2CH2 and CH2F2?CF2CHF

The results of molecular beam Fourier transform microwave (FTMW) investigations of the van der Waals complexes of difluoromethane with 1,1-difluoroethene (DFE) and trifluoroethene (TFE) are reported. The rotational parameters of the complexes have been interpreted in terms of a C_s geometry with the two H or F atoms of CH₂F₂ lying out of the σ_v symmetry plane of the complexes. The complexes are bound by three hydrogen bonds, of which one is the stronger C-F?H-C type, and two are the weaker C-H?F?H-C or C-F?H?F-C types for DFM-DFE or DFM-TFE, respectively. The most notable difference in the two complexes is that the out of plane atoms are two hydrogens for DFM-DFE, but are two fluorines for DFM-TFE. Additional information on the structure and hydrogen bonding has been obtained from ab initio calculations.     

Bi2Sr2CaCu2O8单晶a-b平面热电势率的各向异性

测量了Bi₂Sr₂CaCu₂O₈单晶a方向的热电势率S_a和b方向的热电势率S_b与温度T的关系,发现在a-b平面内热电势率存在各向异性。认为S_a与S_b的差异来源于b方向的调制结构,并用扩散热电势率S_d,声子曳引热电势率S_g和相关跳跃热电势率S_h三种贡献,对实验结果进行了 关键词：     

V2Ga5的晶体结构

本文利用单晶与粉末衍射方法测定了V₂Ga₅的晶体结构。V₂Ga₅属四方晶系,其单相区约为VGa₂—V₂Ga₅。在18℃的点阵常数是a=8.9540?,c=2.6892?,每个晶胞含有二个化合式量,空间羣为D_4h⁵—P4/mbm。V原子与Ga原子分别占据在4(h)与8(i),2(d)的等效位置上。参数为:x相似文献   

Growth of β-Ga2O3 nanorods by ammoniating Ga2O3/V thin films on Si substrate

This paper reports that/3-Ga2O3 nanorods have been synthesized by ammoniating Ga2O3 films on a V middle layer deposited on Si（111） substrates. The synthesized nanorods were confirmed as monoclinic Ga2O3 by x-ray diffraction,Fourier transform infrared spectra. Scanning electron microscopy and transmission electron microscopy reveal that the grown β-Ga2O3 nanorods have a smooth and clean surface with diameters ranging from 100 nm to 200 nm and lengths typically up to 2μm. High resolution TEM and selected-area electron diffraction shows that the nanorods are pure monoclinic Ga2O3 single crystal. The photoluminescence spectrum indicates that the Ga2O3 nanorods have a good emission property. The growth mechanism is discussed briefly.     

Na2SbF5晶体倍频系数的理论计算

本文使用阴离子基团理论计算了Na₂SbF₅晶体的倍频系数,得到d₁₂₃=4.48×10^-10esu,与实验值符合较好。计算结果表明,阴离子基团中孤对电子的存在有利于产生大的倍频效应。本文还分析了Na₂SbF₅晶体倍频系数小的原因:尽管(SbF₅)^2-基团存在孤对电子可以对晶体倍频系数有较大贡献,但孤对电子能级的相对位置对其倍频系数有不利影响,从而导致它的倍频系数d₁₂₃较小。 关键词：     

嵌埋在SiO2基质中的nc-Ge的制备及其发光现象

采用等离子体化学汽相淀积技术生长a-Ge_xSi_1-x∶H薄膜，然后在800℃，10⁵Pa下于传统开口管式炉中氧化热处理，制备嵌埋在SiO₂中的nc-Ge微晶粒．利用傅里叶变换红外光谱、喇曼光谱和X射线衍射谱分析样品的微结构，研究a-Ge_xSi_1-x∶H薄膜的氧化过程中发生的化学和物理变化，并用平衡态化学反应热理论加以解释．在某些样品中观察到室温下的光致发光现象，采用Brus电 关键词：     

The crystal structure of Fe2In2Se5, a FeIn2Se4-related polytype

Fe₂In₂Se₅, a polytype of FeIn₂Se₄ (a material belonging to the II □ III₂ VI₄ family of semiconducting compounds) has been synthesized by conventional solid-state reaction of their constituent elements. The product of the reaction was sequentially used as starting material in the crystal growth process carried out by chemical transport using I₂ as transporting agent. The crystal structure of a new polytype of this compound was determined using single crystal techniques with data collected with a CCD-based diffractometer. The successful indexing of the data and refinement of the structure led to an hexagonal unit cell with a=4.0371(4) and c=32.746(4) Å. Although the absorption effect in the data was quite noticeable, because of the layered morphology exhibited by the material, a good agreement was obtained for a structural model similar to the structure reported for a related polytype belonging to the ZnIn₂S₄ system.     

Novel solid acid fuel cell based on a superprotonic conductor Tl3H(SO4)2

We have fabricated a fuel cell based on a superprotonic conductor, a Tl₃H(SO₄)₂ crystal, and have measured the electrical properties of this fuel cell. It is found that the open-circuit voltage in the fuel cell based on the Tl₃H(SO₄)₂ crystal increases by supplying H₂ fuel gas and typically becomes 0.83 V. Moreover, we have observed that the cell voltage decreases with increasing current density, as observed in fuel cells such as proton exchange membrane fuel cell, solid oxide fuel cell, etc. These results indicate that it is possible to use the Tl₃H(SO₄)₂ crystal as the electrolyte of a solid acid fuel cell. In addition, we suggest that the selection of the electrode and the preparation of the very thin electrolyte are extremely important to achieve high-efficiency of power generation of this fuel cell.     

3Cu(IO3)2·2H2O晶体的电子结构研究

本文测定了3Cu(IO₃)₂·2H₂O球晶的电子吸收光谱,吸收峰位于9140cm^-1和15250cm^-1。首次观察到了高达6110cm^-1的低对称晶场分裂。吸收曲线经Gauss分解可得到八个Gauss型吸收峰,分别位于8590,10690,10870,12190,13500,14510,15330和16500cm^-1。测量其EPR谱可得g=2.141±0 关键词：