CS+A2∏3/2←X2∑+转动分辨电子跃迁光谱的标识分析

针对A2∏-X2∑类型电子跃迁,建立了双原子分子或线性多原子分子电子跃迁谱线的标识方法及视图人机交互式计算机辅助标识程序.以CS+A2∏3/2(u=1)←X2∑+(u=0)跃迁的速度调制光谱为例,介绍了这类转动分辨电子吸收光谱的标识方法,并按CS+分子能级结构的代数模型,对标识后的谱线数据进行了最小二乘拟合,得到CS+初步的分子结构参数,为CS+谱线的完备分析提供了重要信息.     

A9Ln0.95Eu0.05（VO4）7(A=Mg2+,Ca2+,Sr2+,Ba2+;Ln=Y3+,La3+,Gd3+)的光致发光（英文）

用固相反应法制备A9Ln0.95Eu0.05(VO4)7(A=Mg2+,Ca2+,Sr2+,Ba2+;Ln=Y3+,La3+,Gd3+)样品,研究它们的光致发光性质.所有Eu3+掺杂的样品能被310 nm的近紫外光激发,它的特征发射峰是由于Eu3+的5D0-7F j(j=1,2,3,4)跃迁引起的.然而,对于Mg9Gd0.95Eu0.05(VO4)7样品,在450～800 nm波长范围内呈现出很宽的发射谱.Mg9Gd0.95Eu0.05(VO4)7的宽发射谱是VO43-的本质发射,源于Mg9Gd0.95Eu0.05(VO4)7样品中VO4四面体的严重晶格畸变.Mg9Gd0.95Eu0.05(VO4)7很宽的发射谱表明其在发光器件中有潜在应用价值.     

Ca2+和Tb3+对白眉蝮蛇蛇毒磷脂酶A2荧光光谱的影响

研究了金属离子Ｃａ２ ＋ 和Ｔｂ３ ＋ 对长白山白眉蝮蛇蛇毒磷脂酶Ａ２（ｐｈｏｓｐｈｏｌｉｐａｓｅ Ａ２） 荧光光谱的作用, 发现Ｃａ２ ＋ 浓度的增加能够增强磷脂酶Ａ２ 的荧光发射强度． 而且Ｃａ２ ＋ 浓度的增大能够明显加快磷脂酶Ａ２ 与其相应反应底物ＤＰＰＣ的反应速率． 稀土离子Ｔｂ３ ＋ 在低浓度条件下对磷脂酶Ａ２ 起荧光淬灭作用, 而在浓度较高时能够提高磷脂酶Ａ２ 荧光发射强度．     

钴多吡啶配合物[Co（phen）3]3+和[Co（bpy）3]3+电子吸收光谱的理论研究

采用密度泛函理论,在B3LYP/LanL2DZ水平上,在真空和溶液中对两个钴多吡啶配合物的几何结构进行了优化.结果表明在溶液中优化的几何结构和实验结果吻合较好.以在溶液中优化的几何结构为基础,用含时密度泛函(TDDFT)方法计算配合物的电子吸收光谱,并模拟配合物的电子吸收光谱图.模拟结果和实验结果吻合较好,说明溶剂效应对带有较多正电荷的钴(III)多吡啶配合物的电子吸收光谱影响较大,同时对实验测得的强的吸收带进行了详细解释.     

Ca3（VO4）2:Eu3+,Bi3+荧光材料的结构及性能研究

采用燃烧法工艺合成了Ca3(VO4)2:Eu3+,Bi3+荧光粉,对其结构、形貌和发光性能进行了表征,该荧光材料颗粒形貌规则、均一、发射主峰位于615.0nm,是一种良好的红色荧光粉。     

AgYb(MoO4)2:Er3+/Tm3+/Ho3+稀土发光材料的水热合成及其温度传感性能

为了提高Ln³⁺离子的发射强度,Yb³⁺离子在上转换(up conversion, UC)系统中通常用作敏化剂,在980 nm处有着广泛且强的吸收带.作为含有Yb³⁺的基体材料,AgYb(MoO₄)₂中的离子浓度更高,因此掺杂离子的发射强度更强,期待可以获得更好的温度敏感性.采用Er³⁺掺杂后获得的材料的温度敏感性在473 K时达到0.013 3 K^-1,对比于相同条件下合成的NaY(MoO₄)₂材料,其温度敏感性更高.并且Ho³⁺和Tm³⁺的共同掺杂还可以用来进行合成白光发射,即通过共掺杂Tm³⁺后获得蓝光部分(¹G₄-³H₆),再通过Ho³⁺的掺杂获得红光(⁵F₅-     

KLu(MoO4)2:Yb3+/Ho3+荧光粉的制备及其温度传感性能探究

利用柠檬酸辅助水热合成前驱体再进行煅烧的方法,制备一系列KLu(MoO₄)₂:Yb³⁺/Ho³⁺荧光粉。合成的荧光粉在980 nm的红外光激发下,KLu(MoO₄)₂:Yb³⁺/Ho³⁺主要发射位置在绿光区(540 nm)和红光区(660 nm)。在323～523 K的温度范围内,研究了KLu(MoO₄)₂:20%Yb³⁺ 0.3%Ho³⁺温度传感性能。通过计算,在温度为323 K下,得到最高的相对灵敏度为0.004 2 K^-1。结果表明,所得KLu(MoO₄)₂:Yb³⁺/Ho³⁺荧光粉是一种潜在温度敏感材料。     

Ce3+掺杂及晶场对Ca10K(PO4)7:Eu2+,Mn2+荧光粉发光性能的调控

采用高温固相反应法合成了Ca₁₀K(PO₄)₇:Eu²⁺荧光粉,分别通过Sr部分取代Ca、Ce³⁺掺杂及Mn²⁺共掺杂,探讨了晶场调控、Ce³⁺→Eu²⁺能量传递及Eu²⁺→Mn²⁺能量传递对该体系发光性能的影响规律.XRD测定结果表明,Sr取代Ca对Ca₁₀K(PO₄)₇基质晶格结构无明显影响.光谱测定结果表明:制备得到的Ca₁₀K(PO₄)₇:Eu²⁺荧光粉中,Eu²⁺和Eu³⁺共存.掺杂Ce³⁺有助于Eu³⁺还原为Eu²⁺,大幅度地提高了荧光粉的发光强度.Sr取代Ca可调控晶体场强度,促使Eu^2...     

Cu0.5Zr2（PO4）3中Cu2+离子中心各向异性g因子研究

采用3d9离子斜方对称g因子的高阶微扰公式计算了Nasico型晶体Cu0.5Zr2(PO4)3中Cu2+离子中心各向异性g因子(gx,gy,gz),其中斜方晶场参量由重叠模型并联系晶体中Cu2+离子所处的局部结构确定。研究表明,晶体中Cu2+离子中心配体八面体平面键角相比理想斜方对称的90°要小10°左右,由此所得的因子计算结果与实验符合较好。     

Acidic catalysis of microporous polyoxometalate H3PW12O40/Sio2 in acetal reaction between benzaldehyde and ethylene glycol

Microporous Keggin-type polyoxometalate material was synthesised by supporting H3PW12O40 into a silica matrix via a sol-gel technique. The silica-supported 12-tungstophosphoric acid ( H₃PW₁₂O₄₀/Sio₂ ) obtained is insoluble and readily separable porous materials with uniform micropores (0. 57 nm) and a high specific surface area (350. 5 m2/g) in oxygen-containing polar solvents. H3PW12 O4o/Si02 was characterized by infrared spectrophotometer (IR). ultraviolet-visible spectrophotometer (UV-vis). inductively coupled plasma (ICP)> thermogravimetric analysis (TGA) and Brunner-Emmett-Teller method (BET) measurements. H3PWi204o/Si02 obtained catalyzed the acetal reaction between benzaldehyde and ethylene glycol to produce 2-phenyl-l > 3-dioxolane more efficiently than the typical solid acids such as SO4 /ZrO2' Nafion-H and H-ZSM-5. Conversion was 93. 8% for benzaldehyde during the reaction period of 2 h. H₃PW₁₂O₄₀/Sio₂ kept its initial activity during three times of reuse. The initial acetal reaction follows a second-order kinetics model at 298 K.     

一个中性半开口立方烷簇合物 ［MoOS3Cu3I(PPh3)3］.C9H7N.H2O的合成和结构

本文报道了一个含卤素和三苯基膦的中性半开口立方烷簇合物［MoOS     

NaY（WO4）2:Eu3+红色荧光粉的水热法制备及其发光性能研究

采用水热法,在乙二醇:水=1:4的环境下制备出了NaY(WO4)2:Eu3+红色荧光粉,研究了体系pH值对粉体结构、形貌以及发光性能的影响.采用X-射线粉末衍射仪(XRD)、扫描电子显微镜(SEM)、荧光分光光度计(PL)对样品进行了表征.结果表明:在180℃下可以得到纯相结构的NaY(WO4)2:Eu3+荧光粉,反应体系的pH值对合成的粉体的形貌及发光性能有显著影响.     

Fe3+掺杂纳米TiO2材料的制备与表征

采用溶胶-凝胶法,利用钛酸丁酯作为TiO2前驱体和钛源,硝酸铁作为铁源制备TiO2及Fe-TiO2纳米粉末,用扫描电子显微镜、X射线衍射仪和紫外-可见光近红外分析仪对样品进行表征.结果表明:当控制pH值为3、室温搅拌、35℃恒温烘干、650℃烧结、Fe与TiO2的摩尔质量比为5%时,制备的TiO2纳米粉末的光吸收带发生明显红移,带宽增加,有助于TiO2光催化效率的提高.     

Rare earth effect of yttrium on formation and property of Cr2O3 oxide film formed on Co-Cr binary alloy

The isothermal oxidizing kinetics of Co-40Cr alloy and its yttrium ion?implanted samples were studied at 1000 ℃ in air by thermal?gravity analysis (TGA). Scanning electronic microscopy (SEM) was used to examine the Cr2O₃ oxide film's morphology after oxidation. Secondary ion mass spectrum (SIMS) method was used to examine the binding energy change of chromium caused by Y?doping and its influence on formation of Cr2O₃ film. Acoustic emission (AE) method was used in situ to monitor the cracking and spalling of oxide films formed on both samples during oxidizing and subsequent air?cooling stages. Theoretical model simulating the film fracture process was proposed to analyze the acoustic emission spectrum both on time domain and on AE?event number domain. It is found that yttrium ion?implantation can remarkably reduce the isothermal oxidizing rate of Co-40Cr and improve the anti?cracking and anti?spalling properties of Cr2O₃ oxide film. Reasons for the improvement are mainly that the implanted yttrium can reduce the grain size of Cr2O₃ oxide, increase the high temperature plasticity of oxide film, and remarkably reduce the number and size of Cr2O₃/Co-40Cr interfacial defects.     

Rare earth effect of yttrium on formation and property of Cr2O3 oxide film formed on Co-Cr binary alloy

The isothermal oxidizing kinetics of Co-40Cr alloy and its yttrium ion?implanted samples were studied at 1000 ℃ in air by thermal?gravity analysis (TGA). Scanning electronic microscopy (SEM) was used to examine the Cr2O₃ oxide film's morphology after oxidation. Secondary ion mass spectrum (SIMS) method was used to examine the binding energy change of chromium caused by Y?doping and its influence on formation of Cr2O₃ film. Acoustic emission (AE) method was used in situ to monitor the cracking and spalling of oxide films formed on both samples during oxidizing and subsequent air?cooling stages. Theoretical model simulating the film fracture process was proposed to analyze the acoustic emission spectrum both on time domain and on AE?event number domain. It is found that yttrium ion?implantation can remarkably reduce the isothermal oxidizing rate of Co-40Cr and improve the anti?cracking and anti?spalling properties of Cr2O₃ oxide film. Reasons for the improvement are mainly that the implanted yttrium can reduce the grain size of Cr2O₃ oxide, increase the high temperature plasticity of oxide film, and remarkably reduce the number and size of Cr2O₃/Co-40Cr interfacial defects.     

Addition of IrO2 to RuO2+TiO2 coated anodes and its effect on electrochemical performance of anodes in acid media

Ternary mixed metal oxide coatings with the nominal composition IrxRu(0.6-x)Ti0.4O2(x=0, 0.1, 0.2, 0.3) on the titanium substrate were prepared by thermal decomposition of a chloride precursor mixture. Surface morphology and microstructure of the coatings were investigated by Scanning electron microscopy(SEM), Field emission scanning electron microscopy(FE-SEM) and X-ray diffraction(XRD) analysis. Systematic study of electrochemical properties of these coatings was performed by cyclic voltammetry(CV) and polarization measurements. The corrosion behavior of the coatings was evaluated under accelerated conditions(j=2 A cm-2) in acidic electrolyte. The role of iridium oxide admixture in the change of electrocatalytic activity and stability of Ru0.6Ti0.4O2coating was discussed. Small addition of IrO2can improve the stability of the RuO2+TiO2mixed oxide, while the electrocatalytic activity for oxygen evolution reaction(OER) is decreased. The shift of redox potentials for Ru0.6Ti0.4O2electrode that is slightly activated with IrO2and improvement in the stability can be attributed to the synergetic effect of mixed oxide formation.     

Preparation and vibrational modes of C60·2CHBr3

By preparing a field-effect transistor (FET) on C60 single crystal, Sch鰊 et al.[1] realized the hole-doped C60 and observed the superconductivity at 52 K. After CHBr3 molecules were intercalated into the crystal, the transition temperature increased up to 117 K[2]. This finding made the fullerite to be one of the highest-Tc superconductivity materials. In order to clarify the mechanism for the increase of Tc from 52 K to 117 K, the studies of the crystal structure, the density of electr…     

Comparative analysis of temperature and CO2 fluxes for winter wheat in Tibetan Plain and North China Plain using the EMD method

Comparative study of spectral properties of temperature and CO₂ fluxes measured by eddy covariance method at Yucheng (36°57′N, 116°36′E, 28 m a.s.l., in the North China Plain) and at Lhasa (29°41′N, 91°20′E, 3688 m a.s.l., on the Tibetan Plateau) is described using the empirical mode decomposition (EMD) method. The main results are: (1) The intrinsic oscillation modes or intrinsic mode functions (IMFs) were extracted from data of temperature (T) and CO₂ fluxes (F) measured at Yucheng (T₁ and F₁) and Lhasa (T₂ and F₂). (2) Hilbert transform was applied to these IMF components, then the Hilbert-Huang spectra and the marginal spectra of these data were obtained. (3) Comparison of temperature and CO₂ fluxes in North China Plain and on Tibetan Plain illustrated that the characteristic frequencies corresponding to T₁, F₁, T₂ and F₂ are 0.05 Hz, 0.03 Hz, 0.014 Hz and 0.005 Hz, respectively.     

Comparative analysis of temperature and CO2 fluxes for winter wheat in Tibetan Plain and North China Plain using the EMD method

Comparative study of spectral properties of temperature and CO₂ fluxes measured by eddy covariance method at Yucheng (36°57′N, 116°36′E, 28 m a.s.l., in the North China Plain) and at Lhasa (29°41′N, 91°20′E, 3688 m a.s.l., on the Tibetan Plateau) is described using the empirical mode decomposition (EMD) method. The main results are: (1) The intrinsic oscillation modes or intrinsic mode functions (IMFs) were extracted from data of temperature (T) and CO₂ fluxes (F) measured at Yucheng (T₁ and F₁) and Lhasa (T₂ and F₂). (2) Hilbert transform was applied to these IMF components, then the Hilbert-Huang spectra and the marginal spectra of these data were obtained. (3) Comparison of temperature and CO₂ fluxes in North China Plain and on Tibetan Plain illustrated that the characteristic frequencies corresponding to T₁, F₁, T₂ and F₂ are 0.05 Hz, 0.03 Hz, 0.014 Hz and 0.005 Hz, respectively.     

Fracture behavior and microstructure analysis of Al2O3–MgO–CaO castables for steel-ladle purging plugs

Three different castables based on the Al₂O₃–MgO–CaO system were prepared as steel-ladle purging plug refractories: corundum- based low-cement castable (C-LCC), corundum-spinel-based low-cement castable (C-S-LCC), and corundum-spinel no-cement castable (C-S-NCC) (hydratable alumina (ρ-Al₂O₃) bonded). The fracture behavior at room temperature was tested by the method of “wedge-splitting” on samples pre-fired at different temperatures; the specific fracture energy G′_f and notched tensile strength σ_NT were obtained from these tests. In addition, the Young’s modulus E was measured by the method of resonance frequency of damping analysis (RFDA). The thermal stress resistance parameter R′′′′ calculated using the values of G′_f, σ_NT, and E was used to evaluate the thermal shock resistance of the materials. According to the microstructure analysis results, the sintering effect and the bonding type of the matrix material were different among these three castables, which explains their different fracture behaviors.