Dongping TAO
,
Zhuo CHEN
,
Dunfang LI
,
Yifeng GAO
,
Qianghua SHEN
材料科学技术（英文）
The coordination numbers in the molecular interaction volume model (MIVM) can be calculated from the common physical quantities of pure liquid metals. A notable feature of the model lie in its capability to predict the thermodynamic properties of solutes in the Zn-Pb-In and Zn-Sn-Cd-Pb dilute solutions using only the binary infinite dilute activity coefficients, and the predicted values are in good agreement with the experimental data of the dilute solutions.
关键词:
Activity
,
null
,
null
,
null
Journal of Alloys and Compounds
A solid solution with formula (Y1-xTbx)(3)GaO6 (x = 0-0.5) was prepared by solid-state reaction method. Powder X-ray diffraction (XRD) shows that Y3GaO6 is isostructural to Gd3GaO6 (Cmc2(1)), and the lattice parameters are a = 8.8364(1) angstrom, b = 11.0899(1) angstrom and c = 5.3937(1) angstrom. Atomic parameters were derived by Rietveld refinement of the XRD pattern. Photoluminescence (PL) spectra show a strong green emission of 543 nm from the D-5(4) -> F-7(5) transition of Th3+ at room and liquid nitrogen temperature. There is a wide saturation range of the PL intensity for the Th3+ content from x = 0.04-0.20, and a long life time about 1200 mu s for the green 543 nm emission at room temperature. (c) 2006 Elsevier B.V. All rights reserved.
关键词:
Y3GaO6;crystal structure;Tb3+ doped;photoluminescence;luminescence properties;dependence;y3al5o12;phosphor;ions;ce3+;tb-3;uv
Journal of Solid State Chemistry
The crystal structures of a series of compounds with the composition Ln(3)GaO(6)(Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er) synthesized by solid-state reaction at 1400degreesC are investigated. X-ray diffraction shows that Ln3GaO6 has a non-centro symmetric orthorhombic structure (space group Cmc2(1)). Lattice parameters a, b, c and cell volume and the average distances between Ln(l)-O, Ln(2)-O of these compounds decrease with the decreasing of the radii of trivalent Ln ions, which accord with the expected lanthanide contraction behavior. There are two sites of seven-fold coordination for Ln atoms with oxygens, and Ga atoms are in oxygen tetrahedra which are distorted and elongated along the a-axis. Magnetization measurements indicate that the susceptibility X changes with temperature in Curie-type manner. (C) 2004 Elsevier Inc. All rights reserved.
关键词:
Ln(3)GaO(6);crystal structure;Rietveld refinement;X-ray diffraction;garnets
Journal of Luminescence
Ln(3+) (Ln = Nd, Sm, Eu, Gd, Dy, Ho, Er)-doped Y3GaO6 compounds were prepared by solid-state reaction, and their optical spectra such as absorption, photoluminescence, excitation and time-resolved spectra have been measured for Ln Nd, Sm, Dy, Ho, Er. X-ray powder diffraction shows that the lattice parameters of the compounds (Y(0.96)Ln(0.04))(3)GaO6 decrease with the decrease of the radii of trivalent Ln(3+) ions, indicating that Ln(3+) ions have substituted for y(3+) ions in the lattice. Optical spectra show that there are obvious absorptions at ultraviolet to visible region. The strong emissions in visible and infra-red region show that Y3GaO6 is a suitable host for rare-earth-doped laser crystal and phosphor materials. (C) 2004 Elsevier B.V. All rights reserved.
关键词:
crystal-field;absorption-spectra;luminescence;y3ga5o12;glasses;garnet;y2o3;ions;laf3;tb3
Journal of Solid State Chemistry
A serial of samples in Y2O3-Ga2O3-Tm2O3 pseudo-ternary system are prepared by solid-state chemical reaction method. The range of solid solution in (Y1-xTmx)(3)GaO6 is 0 < x < 0.384. Powder X-ray diffraction shows that the compounds crystallize in Gd3GaO6 (Cmc2(1))-type structure. The solid solubilities of Y3+xGa5-xO12 (x = 0-0.77) and Tm3+xGa5-xO12 (x = 0-0.62) are 37.5-47.11 at% Y2O3, and 37.5-45.26 at% Tm2O3, respectively. PL spectra of Tm-doped Y3GaO6 show that there is a sharp blue emission at similar to 456 nm from the D-1(2) -> F-3(4) transition at room temperatures with two lifetimes (similar to 5 and similar to 15 mu s) and a narrow saturation range of PL intensity for the Tm3+ content from x = 0.005 to 0.03. The sharp emission and long lifetime of (Y1-xTmx)(3)GaO6 indicate that Y3GaO6 is a potential phosphor and laser crystal host material. (c) 2005 Elsevier Inc. All rights reserved.
关键词:
Tm3+ -doped Y3GaO6;Y2O3-Ga2O3-Tm2O3 system;(Y1-xTmx)(3)Ga5O12 solid;solution;luminescence;crystal-structure;luminescence;phosphor;cations;ions;tb3
张兰河
,
李德生
,
王旭明
,
张海丰
硅酸盐通报
为了提高生物除磷效率,研究采用AOA-SBR工艺进行了长期连续除磷实验,考察不同温度下碳源(乙酸钠、丙酸钠、葡萄糖)对PAO与GAO竞争的影响.结果表明:当温度由10℃升高至25℃时,利用丙酸钠作为碳源时,污泥含磷量与含糖量分别从7.2％和5.1％升高至7.9％和6.3％,PHA转化量升高了23.1 mg/L,厌氧释磷量从105.9 mg/L升高至149.9 mg/L,VSS/MLSS由71％降低至65％;利用乙酸钠作为碳源时,污泥含磷量与含糖量分别从6.9％和5.3％升高至7.6％和6.7％,PHA转化量升高了23.9 mg/L,厌氧释磷量从73.8 mg/L升高至108.8 mg/L,VSS/MLSS由73％降低至71％;利用葡萄糖作为碳源时,污泥含磷量与含糖量分别从5.8％和6.3％升高至6.6％和8.8％,PHA转化量升高了33.2 mg/L,厌氧释磷量从37.4 mg/L升高至43.2 mg/L,VSS/MLSS由80％升高至88％.当温度升高至30℃时,3个反应器均出现厌氧末期PHA浓度下降和糖原浓度升高,厌氧释磷量减少,污泥含磷量均下降,污泥含糖量上升,VSS/MLSS均很高.与葡萄糖相比,采用乙酸钠和丙酸钠作为碳源,有利于PAO生长繁殖,PAO为优势菌种,抑制GAO增殖.同时,低温更有利于PAO的生长繁殖.
关键词:
温度
,
碳源
,
SBR
,
PAO与GAO
宋庆功
,
徐霆耀
,
杨宝宝
,
郭艳蕊
,
陈逸飞
材料导报
doi:10.11896/j.issn.1005-023X.2015.18.027
宽禁带半导体β-Ga2O3因其出色的物理化学性能而备受关注,通过掺杂改善β-Ga2O3性能一直是研究的热点.采用基于密度泛函理论的第一性原理方法,利用广义梯度近似加U对Mg单原子掺杂β-Ga2O3体系的晶体结构、电子结构和光学性质等进行了研究和分析.总能量和结合能的对比显示:单原子替位掺杂β-Ga2O3时,Mg优先替代八面体位的Ga原子形成Mg-Gao体系.电子结构显示,Mg-Gao体系变为间接半导体,带隙变窄为4.672eV;其自旋极化率为100％,呈现半金属特性.作为光学材料,Mg-Gao体系可在紫外、深紫外区域工作,并且折射率、反射率和吸收率有所降低,透射率明显提高.
关键词:
Mg掺杂β-Ga2O3
,
第一性原理
,
晶体结构
,
电子结构
,
光学性质
Physical Review B
We reconsider and interpret the mechanical properties of the recently proposed allotrope of carbon, T-carbon [Sheng et al., Phys. Rev. Lett. 106, 155703 (2011)], using density functional theory in combination with different empirical hardness models. In contrast with the early estimation based on Gao et al.'s model, which attributes to T-carbon a high Vickers hardness of 61 GPa comparable to that of superhard cubic boron nitride (c-BN), we find that T-carbon is not a superhard material, since its Vickers hardness does not exceed 10 GPa. Besides providing clear evidence for the absence of superhardness in T-carbon, we discuss the physical reasons behind the failure of Gao et al.'s and Simunek and Vackar's (SV) models in predicting the hardness of T-carbon, residing in their improper treatment of the highly anisotropic distribution of quasi-sp(3)-like C-C hybrids. A possible remedy for the Gao et al. and SV models based on the concept of the superatom is suggested, which indeed yields a Vickers hardness of about 8 GPa.
关键词:
superhard rhenium diboride;elastic-constants;ambient-pressure;metal;borides;crystals;diamond;search;boron
Journal of Solid State Chemistry
A new compound, beta-SrGaBO4, has been attained through solid phase transition from alpha-SrGaBO4 at high temperatures. Its crystal structure has been determined from powder X-ray diffraction data by direct methods. The refinement was carried out using the Rietveld method and the final refinement converged with Rp = 11.42 % and Rwp = 15.16 %. It has an orthorhombic P2(1)2(1)2 space group with cell parameters a = 15.3706(2) Angstrom b = 8.992 1 (1) Angstrom, c = 5.919 1 (1) A, and Z = 8. The structure of beta-SrGaBO4 is built up from Ga2BO8 units formed by two GaO4 tetrahedra and one BO3 triangle, and Sr2O12 units formed by two SrO7 groups. Tetrahedra [GaO4] are linked by shared O(3) and O(7) atoms to form infinite chains along the e axis. (C) 2002 Elsevier Science, (USA).
关键词:
beta-SrGaBO4;borate;structure determination;X-ray powder diffraction;crystal-structure
柯瑞
,
张宇民
,
周玉锋
人工晶体学报
本文以c向蓝宝石单晶为对象采用纳米压痕方法测试了不同载荷下蓝宝石单晶的硬度与杨氏模量.分析表明,当载荷P=25±2 mN时出现了第一次位移突变现象,且位移突变量与最大压入载荷无关;试样的硬度与杨氏模量值随着压入深度的增大而减小,呈现出明显的压痕尺度效应;利用Nix-Gao尺度效应模型对测试数据进行了拟合,最终得出试样的硬度值与杨氏模量为30.956 GPa与382.316 GPa,与前人分析结果符合程度较高,证明Nix-Gao模型适用于蓝宝石单晶纳米压痕测试尺度效应的模拟与分析.
关键词:
蓝宝石
,
纳米压痕
,
尺度效应
,
硬度
,
杨氏模量
