LaNi_5-NdNi_5,LaNi_5-CeNi_5赝二元系相图和吸氢性能的研究

本文用X射线衍射和差热分析的方法测定了LaNi_5-NdNi_5,LaNi_5-CeNi_5两个赝二元系相图。用X射线衍射线宽化法测定了活化后LaNi_5-NdNi_5体系的样品晶粒尺寸的各向异性。考查了吸氢性能和第二相存在对LaNi_5吸氢性能的影响。测定和计算了两个体系中样品的点阵常数、单胞体积、原了间距吸氢前后的变化。从结构的观点,解释了LaNi_5-NdNi_5体系中活化后样品晶粒尺寸各向异性的原因。用本实验的结果,解释了RmNi_5(Rm代表混合稀土金属)的吸氢量和平台压力的差异。     

Si对LaNi5相关系与贮H2性能的影响

本文用X射线多晶衍射方法和差热分析方法研究了LaNi_5-xSi_x(x≤1.25)的相关系,用排水取气法测量了样品的吸H₂性能,LaNi₅,的固溶体和新的三元化合物LaNi₄Si形成共晶体系,共晶温度1170℃,共晶点x=0.96,在单相区中LaNi₅,相点阵常数随Si替代量增加,a减小,c增大,三元化合物LaNi₄Si属正交晶系,点阵常数a=8.382?,b=5.210?,c=3.989?。测量密度D₀=7.59g/cm³,每单胞含两个化合式单位,可能的空间群为D_2h⁵,C_2v²和C_2v⁴,它具有可逆的吸放H₂性能,吸H₂后形成氢化物LaNi₄SiH_3.6。La_1-ySi_yNi,系列样品吸H₂量随Si含量增加而很快下降,LaNi_5-xSi_x系列样品吸H₂量随Si含量的增加稍略下降,平台压力也下降,LaNi_4.8Si_0.2的生成自由能为476cal/molH₂,固溶体氢化物的稳定性比LaNi₁高。 关键词：     

LaNi5晶体表面态的计算研究

用“团簇埋入自洽计算法”对LaNi₅晶体表面进行了全电子、全势场、自旋极化的从头计算. 在原子纵向坐标充分弛豫的条件下，得到处于最低基态总能量下LaNi₅晶体的非平整表面空间结构及其电子结构. LaNi₅晶体最表面La原子向外凸出，Ni原子向里收缩，凹凸不平的表面层增加了表面原子与氢原子的接触面积；而表面层的有效体积增大了约9%，有利于氢原子的进入. LaNi₅晶体表面态的费米能量大大高于体材料的费米能量. 在费密面上主要是Ni的3d电子，价带未填满，显示金属性. LaNi₅晶体表面第一、第二层有1.15个电子从La原子向Ni原子转移，这两层有反向的微小自旋磁矩，从而使表面显示顺磁性. 得到了LaNi₅晶体表面的价带电子态密度. 用过渡态方法计算了LaNi₅晶体表面的电离能和电子亲和势. 所有计算结果显示：LaNi₅晶体表面的性质与体性质显著不同，而与氢化物LaNi₅H₇的性质非常相近. 这说明LaNi₅晶体的表面结构有利于氢原子的吸收. 关键词： 5')" href="#">LaNi₅ 表面 电子结构 团簇埋入自洽计算法     

金属氢化物LaNi4.5Mn0.5Hx的热中子非弹性散射谱

本文报道了用铍过滤探测器谱仪对LaNi_4.5Mn_0.5H_x在三种不同氢含量时测量的中子非弹性散射谱。结果表明,Mn原子部分置换LaNi₅中的Ni原子后,使M—H键增强,当x=6时,高能段的第二、三振动峰分别向高频方向位移了6meV和10meV。该结果与LaNi_4.5Mn_0.5H_x的平台压力(P-C-T等温线)下降的宏观热力学性能相一致。 关键词：     

不同快淬速度对Nd8Fe85Mo1B6磁性的影响

通过直接快淬制备了不同淬速的Nd₈Fe₈₅Mo₁B₆样品.由振动样品磁强计测量的结果发现,快淬速度对样品的磁性有很大的影响.对样品进行X射线衍射和热磁分析发现,随着淬速的增加样品中的TbCu₇相增多,同时软磁相的晶粒尺寸降低,认为样品的相组成和晶粒尺寸的变化是其磁性存在差异的原因. 关键词：     

非晶和纳米ZrO2·Y2O3(15%)的X射线衍射与扩展X射线吸收精细结构研究

利用粉末X射线衍射和扩展X射线吸收精细结构(EXAFS)技术对用化学共沉淀法制备的非晶和纳米ZrO₂·15%Y₂O₃体系进行了研究.粉末X射线衍射结果表明,300℃温度处理的样品呈非晶态,500℃时样品已经晶化,形成单一立方相的纳米结构.EXAFS分析显示,在从非晶态向纳米结构晶化的过程中,最近邻的ZrO配位层的配位数和键长没有发生明显的改变,说明300℃时已经形成和900℃相同的最近邻局域结构.而对于ZrZr(Y)配位层,随着晶粒尺寸的减 关键词： EXAFS 晶化 配位数 键长     

MoO3在多孔γ-Al2 O3中固熔分散的研究

用MoO₃与多孔γ-Al₂O₃载体以机械混合法制备了一系列MoO₃/γ-Al₂O₃样品.用扫描电子显微镜、X射线衍射、X射线光电子能谱分析、综合热分析(TG/DTA)和正电子湮没谱学研究了MoO₃加载于γ-Al₂O₃后固熔分散过程.分别测量了不同含量的MoO₃/γ-Al_{2关键词： 正电子湮没谱学 三氧化钼 分散 逐次加载}     

LaNi5储氢过程的热力学分析

分析了LaNi₅储氢过程的热力学平衡关系，根据平衡状态下的热力学函数，导出了能够完整描述整个实验范围P-C-T关系的平衡公式. 利用P-C-T平衡公式对不同温度下平衡压力与储氢量的变化曲线进行了拟合分析, 计算并讨论了储氢过程中平衡反应的热力学函数. 关键词： 5')" href="#">LaNi₅ 热力学 P-C-T 关系')" href="#">P-C-T 关系     

K0.5Bi0.5TiO3—Na0.5Bi0.5TiO3系统铁电陶瓷相界的X射线研究

用X射线衍射方法测定了K_0.5Bi_0.5TiO₃—Na_0.5Bi_0.5TiO₃系统不同组分试样的点阵常数和相变温度,确定了四方-三方相界组成。给出了K_0.5Bi_0.5TiO₃和Na_0.5Bi_0.5TiO₃的多晶X射线衍射数据。 关键词：     

LaNi5的硫化物中毒及其再生的表面研究

本文概括了氢气中的硫化物(如H₂S,SO₂和CS₂)对LaNi₅的表面中毒和再生。AES,XPS的分析表明,三种硫化物的中毒性质不同:H₂S中毒产生La₂S₃和NiS这样的表面化合物;SO₂和CS₂中毒分别发生化学吸附和物理吸附。此外,从Ni(2P_3/2)谱峰强度变化,表明了在LaNi关键词：     

EFFECT OF TEMPERATURE ON ELECTRICAL RESISTIVITY OF A HYDROGENATED LaNi5 THIN FILM

The electrical resistivity of a hydrogenated LaNi₅ thin film has been investigated as a function of temperature in vacuum and in hydrogen. While the film was heated in vacuum for the first time, the change in resistivity exhibited different characteristics during different ranges of temperatures due to the competition of two effects owing to the lattice scattering of conductive electrons and the number of them. The resistivity had a sharp drop near 600 K, which originates from the formation of high conducting lanthanum hydride and nickel due to a reaction between the dissolved hydrogen and LaNi₅. The change in resistivity was not repeatable during the successive heating and cooling processes. When the film was heated under a hydrogen atmosphere, a drop in resistivity occurred near 700 K due to the reaction between LaNi₅ and the hydrogen atmosphere. The film showed a linear temperature dependence of receptivity with completeness of the reaction. It was found that the reaction was irreversible. The film lost the ability of hydrogen absorption after the reaction, and it had a phase change from LaNi₅ to LaH and Ni. This result was supported by X-ray diffraction patterns.     

Preparation and spectroscopic properties of Nb2O5 nanorods

Nb₂O₅ nanorods have been prepared using water/ethanol media. The samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), UV-visible absorption and photoluminescence spectroscopy. The as-prepared Nb₂O₅ nanorods appeared to be single pseudohexagonal (TT-Nb₂O₅) phase. From the photoluminescence spectrum, two emission bands at 407 and 496 nm, respectively, were observed. The origin of the luminescence was discussed in detail.     

Large atomic disorder in nanostructured LaNi5 alloys: A La L3-edge extended X-ray absorption fine structure study

Local structure of the nanostructured LaNi₅ alloys, prepared by ball-milling, has been studied using La L₃-edge extended X-ray absorption fine structure spectroscopy. The near-neighbor distances tend to decrease with the ball-milling, and the mean square relative displacements (MSRD) show substantial increase suggesting an increased atomic disorder. High temperature annealing helps in partial recovery of atomic order in the ball-milled samples for milling times upto 20 h, however, the long-time ball-milled samples seems to gain only a local random order. The results suggest that reduced unit-cell volume together with large atomic-disorder might be causing a higher energy-barrier for the hydride-phase formation in the long time ball-milled LaNi₅ powders.     

Al2O3-Y2O3-ZrO2三相复合陶瓷的介电谱研究

采用传统的固相反应法,在1400–1500 ℃下烧结,制备得到Al₂O₃-Y₂O₃-ZrO₂三相复合陶瓷.样品的结构、形貌和电性能分别用X射线衍射(XRD)、扫描电子显微镜(SEM)及介电谱表征.XRD表明此三相复合体系无其他杂相,加入Y₂O₃及ZrO₂后使得Al₂O₃成瓷温度降低;SEM表明此体系晶粒直径为200–500 nm,并且样品随烧结温度的升高而变得更加致密,晶界更加清晰;介电损耗谱中出现峰值弛豫现象,根据Cole-Cole复阻抗谱得出其为非德拜弛豫. 关键词： 2O₃-Y₂O₃-ZrO₂三相陶瓷')" href="#">Al₂O₃-Y₂O₃-ZrO₂三相陶瓷 介电弛豫 阻抗谱 热导率     

Conductivity behaviour of a cubic/tetragonal phase stabilized nanocrystalline La2O3-ZrO2

La₂O₃ doped nanocrystalline zirconia (ZrO₂) was prepared by chemical co-precipitation method for the 3, 5, 8, 10, 15, 20 and 30 mol.% concentrations of La₂O₃. Structural studies were performed using X-ray diffraction (XRD). All the as-synthesized samples were found to be in monoclinic phase. As-synthesized samples were given heat treatment at higher temperatures for tetragonal/cubic structural phase stabilization. Sintering the samples at temperature 1173 K stabilized the tetragonal and cubic phases. A slight shift in the 100% peak of the cubic phase was observed towards the low diffraction angle indicating the substitution of the bigger La³⁺ ion into the ZrO₂ lattice. Grain sizes were found to lie between 10 and 13 nm. Electrical conductivity studies were performed on the cubic phase stabilized La₂O₃-ZrO₂ by complex impedance spectroscopy. The conductivity increases up to the dopant concentration 10 mol.% and then decreases with further increase in La₂O₃ concentration. Initial increase in conductivity is correlated to the stabilization of the cubic phase and the subsequent decrease in the conductivity with the dopant content is interpreted on the basis of the oxygen-ion movement model. Electrical conductivity has contributions from grain and grain boundary regions. But the grain boundary conductivity is slightly higher than the corresponding grain conductivity. Higher grain boundary conductivity shows higher diffusion coefficient for the atoms on the surface of the ZrO₂ grains. The possible mechanism of the oxygen ion conduction in the La₂O₃ stabilized zirconia (LSZ) is reported. The Barton, Nakajima and Namikawa (BNN) relation has been applied to the conductivity data and found that the d.c. and a.c. conductions have been correlated to each other by the same mechanism.     

Synthesis and optical properties of tetragonal KTa0.6Nb0.4O3 nanoparticles

Tetragonal phase KTa_0.6Nb_0.4O₃ (KTN) nanoparticles have been prepared by hydrothermal method. The obtained particles were characterized by X-ray powder diffraction, transmission electron microscopy, energy dispersive X-ray spectroscopy and UV-vis absorption spectrum techniques. A systematic change in crystal structure from cubic to tetragonal is observed with the increase of reaction temperature and KOH concentration. Room temperature UV-vis absorption spectrums of KTN particles show that the band gap changes from 3.24 to 3.34 eV with grain size diminished, which reveals the existence of blue-shift phenomenon of absorption bands.     

Luminescence properties of Cr:Y3Al5O12 nanocrystals

The Cr³⁺-doped Y₃Al₅O₁₂ (YAG) nanocrystalline powders were prepared by the Pechini method. The structural and phase evolution studies were performed using X-ray powder diffraction (XRD) method. The TEM images were taken in order to characterize the grain size and morphology of the Cr:YAG nanocrystals. Their excitation and luminescence spectra were investigated. It was found that luminescence properties of the Cr:YAG nanocrystals were strongly affected by size of the particles. With increasing the grain size the electron-phonon coupling decreases whereas the crystal-field strength increases.     

氧离子导体La1.9Y0.1Mo2O9细晶粒陶瓷的制备和电学性质研究

采用溶胶凝胶法合成的La_1.9Y_0.1Mo₂O₉纳米晶粉体, 结合微波烧结技术制备出不同晶粒度的La_1.9Y_0.1Mo₂O₉块体样品. 利用X射线衍射仪(XRD)、高分辨透射显微镜(HRTEM)、场扫描显微镜(SEM)对粉体及陶瓷块体的物相、 形貌进行了表征, 利用交流阻抗谱仪测试了样品不同温度下的电导率. 实验结果表明, 掺Y的La_1.9Y_0.1Mo₂O₉能将高温立方β 相稳定到室温; 块体样品致密均匀, 平均晶粒度范围在60 nm–4 μm之间; 致密度高的样品表现出高的电导率, 其中900 ℃烧结样品的电导率600 ℃时高达0.026 S/cm, 比固相反应法制备的La_1.9Y_0.1Mo₂O₉样品高出约1倍. 总结认为样品的致密性对电导率影响较大, 是通过影响晶界电导率来影响总电导率的, 样品的晶粒度(在60 nm–4 μm范围内)对电导率的影响还不能确定. 关键词： 氧离子导体 1.9Y_0.1Mo₂O₉')" href="#">La_1.9Y_0.1Mo₂O₉ 细晶粒陶瓷 微波烧结