盐酸对共沉淀法合成单分散性纳米四氧化三铁的改性研究

采用共沉淀法合成了粒径为6～10 nm的Fe3O4粒子.借助X射线衍射、红外光谱分析和透射电子显微镜等对其进行了表征.盐酸对纳米Fe3O4分散性的影响通过透射电镜和紫外可见吸收光谱进行表征.结果表明:盐酸对纳米Fe3O4的分散性有很大影响.这种作用机理通过Zeta电位进行验证,表明颗粒的分散性和稳定性随扩散双分子层的厚度而变化,而且,改性后的纳米Fe3O4显示了更好地超顺磁性.     

EXAFS studies of nanostructured Finemet‐type alloys

The nanostructure of nanocrystalline Fe₆₆Cr₈Cu₁Nb₃Si₁₃B₉ alloys has been studied using extended X‐ray absorption fine structure (EXAFS) and analyzed by the cumulant method. Application of the cumulant method enables us to determine the nearest‐neighbor interatomic distance and the coordination number for chromium and copper atoms, and thus we are able to obtain detailed knowledge about the role of both Cr and Cu in the structure of nanocrystals at various stages of crystallization. A detailed analysis of the distribution of alloying elements in the grains and grain boundaries reveals the accumulation of Cr in the surrounding of Fe(Si) nanocrystals. The presence of Cr in the surroundings of Fe(Si) can influence the content's arrangement of the nanograins, allowing diffusion of Si atoms in the grain boundaries. Simulated X‐ray absorption spectra of the model produced by FEFF9.05 and the proposed Cu clustering of 19 atoms with average cluster size of about 0.4 nm show a good resemblance to the experimental data of the Cu k‐edge.     

Umwandlungsplastizität von Kobalt-Mangan-Legierungen

On quenching Co Mn alloys (4-16.4% Mn) the fcc γ-high temperature phase – while decreasing in volume and length martensiticallytransforms to the hexagonal ε-low temperature phase, the Ms, As, and Af temperatures simultaneously being lowered with increasing Mn contents. If the transformation happens influenced by an external tensile stress transformation plasticity occurs. It is based mainly on a martensite precipitation oriented along the direction of tension and is connected with the final lengthenings after passing a transformation cycle as well as with a decrease of the flow limit and of the elastic modulus. Thus Co Mn alloys behave quite similar as Fe Mn and Fe Cr Ni alloys with a γ/ε transition.     

Sc:In:Fe:LiNbO3晶体的生长及全息关联存储的研究

在Fe:LiNbO3中掺进Sc2O3和In2O3采用Czochralski技术生长Sc:In:Fe:LiNbO3晶体.测试Sc:In:Fe:LiNbO3晶体的红外光谱和抗光致散射能力.Sc(1mol;):In(2mol;):Fe:LiNbO3晶体OH-吸收峰移到3508cm-1,抗光致散射能力比Fe:LiNbO3晶体提高二个数量级.对Sc(1mol;):In(2mol;):Fe:LiNbO3晶体OH-吸收峰移动机理和抗光致散射能力增强的机理进行讨论.以Sc(1mol;):In(2mol;):Fe:LiNbO3晶体作存储元件,以Cu:KNSBN晶体作为位相共轭镜进行全息关联存储,试验结果表明全息关联存储的成象质量高、图象清晰完整、噪音小.     

钨酸铅闪烁晶体垂直梯度凝固法生长及光学性能研究

本文报道了垂直梯度凝固法(VGF)生长PWO晶体的研究结果.通过优化工艺参数,成功获得直径25mm、长度140mm的PWO晶体.通过测试PWO晶体的XRD、透过光谱、荧光光谱等,研究了所得晶体的光学性能.结果表明:VGF法生长PWO晶体在350～420 nm处的光学透过率明显提高,荧光发光主峰位于435 nm,是快发光峰,但慢发光比例有所增加.     

An investigation of the local iron environment in iron phosphate glasses having different Fe(II) concentrations

The local environment around iron ions in iron phosphate glasses of starting batch composition 40Fe₂O₃-60P₂O₅ (mol%) melted at varying temperatures or under different melting atmospheres has been investigated using Fe-57 Mössbauer and X-ray absorption fine structure (XAFS) spectroscopies. Mössbauer spectra indicate that all of the glasses contain both Fe(II) and Fe(III) ions. The quadrupole splitting distribution fits of Mössbauer spectra show that Fe(II) ions occupy a single site whereas Fe(III) ions occupy two distinct sites in these glasses. When melted at higher temperatures or in reducing atmospheres, the Fe(II) fraction in the glass increases at the expense of Fe(III) ions at only one of the two sites they occupy. The pre-edge feature in the XAFS data suggests that the overall disorder in the near-neighbor environment of iron ions decreases with increasing Fe(II) fraction. The XAFS results also show that the average iron-oxygen coordination is in the 4-5 range indicating that iron ions have mixed tetrahedral-octahedral coordination.     

RbCdF3:Ni2+晶体结构相变、光谱精细结构和EPR谱的研究

本文采用半自洽场(semi-SCF)3d轨道模型和μ-κ-α模型,利用完全对角化方法,建立了Oh、D4h对称晶体场局部结构参数与光谱精细结构、EPR谱之间的定量关系,统一解释了RbCdF3∶Ni2+晶体的光谱精细结构和EPR谱。所得理论结果与实验值符合很好。     

Über den Zusammenhang zwischen Kompressibilität und Härte von Mineralen und nichtmetallischen kristallinen Substanzen

An attempt is made to find out an experimental correlation between diamond pyramid microhardness number HV (according to Vickers) and compressibility χ of nonmetallic intrusion substances. By means of thermoelastic considerations, especially with respect to diamond and related to the bonding theory of crystals, a logarithmic plot of χ (log HV) yields a group of straight χ-lines. Further, as a technical consequence, a computation formula is given for conversing Mohs' hardness test numbers to HV-numbers and vice versa.     

Defect structure and light‐induced scattering of Zr‐doped near‐stoichiometric Mn:Fe:LiNbO3 crystals grown by TSSG method

Near‐stoichiometric Mn:Fe:LiNbO₃ crystals doped with various concentration of ZrO₂ were grown by top seed solution growth (TSSG) method in the air atmosphere. The Zr concentration in the crystal was determined by inductively coupled plasma optical emission spectrometer. The defect structures were analyzed by means of ultraviolet‐visible and infrared transmittance spectra. The appearance of vibration peak at 3466 cm^‐1 in infrared spectra manifested that Li/Nb ratio in crystals approached to stoichiometric proportion. The fundamental absorption edge represented continuous red‐shift which was discrepancy with congruent doped LiNbO₃ crystals showed that doping ions possessed different location mechanism. The light‐induced scattering of the doped stoichiometric LiNbO₃crystals were quantitatively scaled via incident exposure energy. The results demonstrated that Zr(2 mol%):Mn:Fe:LiNbO₃ crystal had the weakest light‐induced scattering and the mechanism related to their defect structures was discussed. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Nd:GdVO4晶体Raman光谱理论计算和实验测量

根据商群对称性分析法对Nd:GdVO4(简称NGV)晶体的Raman光谱做了理论计算,测量了NGV不同配置下的Raman光谱.商群对称性分析法得到的结果与实验测量相符.     

Improved blue photorefractive properties of near‐stoichiometric LiNbO3:Mn:Fe:Zr crystal

Near‐stoichiometric LiNbO₃ single crystal tri‐doped with ZrO₂, MnO and Fe₂O₃ was grown from Li‐riched melt by Czochralski method. The defect structures and composition of these crystals were analyzed by means of ultraviolet‐visible and infrared transmittance spectra. The appearance of 3466 cm^‐1 peak in infrared spectra showed that the crystal grown from Li‐riched melt was near stoichiometric. The photorefractive properties at the wavelength of 488 nm and 633 nm were investigated with two‐beam coupling experiment, respectively. The experimental results showed that the response speed and sensitivity were enhanced significantly and the high diffraction efficiency was obtained at 488 nm wavelength. This manifested that near‐stoichiometric LiNbO₃:Mn:Fe:Zr crystal was an excellent candidate for holographic storage. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Low temperature EPR spectra of Fe3+ centers in ternary layered TlGaS2 crystal

The results of low temperature electron paramagnetic resonance (EPR) study of Fe doped TlGaS₂ single crystal in the temperature range of 5‐300 K are presented. Iron was added to the growth mixture in amounts corresponding to a molar ratio Fe/Ga of about 1%. The EPR signal due to Fe³⁺ centers located at the centers of GaS₄ tetrahedrons has been observed. A transformation of EPR spectra has been observed on decreasing the temperature, which is attributed to lowering of the number of resonance lines. The simulation of rotational patterns of the resonance fields exhibits a decrease of the number of centers at low temperatures as a contrary to those of isostructural compounds of TlGaS₂. On comparing the EPR spectra of Fe³⁺ centers in TlGaSe₂, it has been revealed that the Tl atoms lose their zigzag alignment observed previously at room temperature and rearranged to equal structural positions on Tl chains on lowering the temperature. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

High pressure x-ray diffraction measurements on Mg2SiO4 glass

The structure factors of Mg₂SiO₄ glass have been measured using high energy x-ray diffraction up to pressures of 30.2 GPa, and the equation of state measured up to 12.8 GPa. The average Mg-O coordination numbers were extracted from the experimental pair distribution functions assuming two cases (i) there is no change in Si-O coordination number with pressure and (ii) the average Si-O coordination number increases the same as for pure SiO₂ glass. Both analyses give similar results and show a gradual increase in the average Mg-O coordination number from 5.0 at ambient pressure to ~ 6.6(6) at 30.2 GPa. There is good qualitative agreement between the experimental structure and equation of state data for the glass compared to several recent molecular dynamics simulations carried out on liquid Mg₂SiO₄.     

Interpretation of Anomalous Absorption Spectra. A Theoretical Study of the Geometric,Electronic and Optical Properties of Poly[3-(4-Octylphenyl)-Thiophene]

Abstract

The geometric, electronic, and optical properties of poly-[3-(4-octylphenyl)-thiophene] are studied. The effect of the side groups as well as doping is analyzed. Band structures, oscillator strengths and optical absorption spectra are calculated. Absorption spectra reported for the doped polymer show up to four peaks below the band-gap energy.     

Angular dependences of transmission spectra of chiral liquid crystals

Transmission spectra of chiral nematic liquid crystals (CNLCs) and chiral smectic С* liquid crystals (CSLCs) are studied in a wide range of angles of light propagation with respect to the direction of the helical structure axis. To this end, both a planar LC cell and a cell consisting of two substrates in the form of rectangular prisms (30° × 60° × 90°) were used, which allowed measurements of the transmission spectra at the light propagation at angles up to 65° with respect to the helical axis direction. The transmission spectra are numerically simulated; the results are in good agreement with the experimental spectra. A technique for determining the tilt angle of molecules in smectic layers is proposed based on the comparative analysis of experimental and calculated transmission spectra of CSLC.     

Soft‐Mode Spectroscopy in Fe:KTa1‐xNbxO3 Crystals

Fe‐doped potassium tantalite niobate, Fe:KTa_1‐xNb_xO₃ (Fe:KTN), crystallizes with x = 0.48 and a perovskite‐type structure in tetragonal system with point group 4mm, conforming space group P4mm. The paraelectric‐ferroelectric structural transition of the Fe:KTN is studied by Raman scattering investigations. A condensed soft lattice vibrational mode at the phase transition has been analyzed. It originates from the symmetric O2/O3‐Nb/Ta‐O3/O2 in‐plane bending of the Nb/TaO₆ group. The soft optical phonon mode concerns the extraordinary transverse optical phonons propagating along the [110] direction. The Raman spectra measured reflect the crystal disorder. Curie temperature measured by two methods is within 353 and 356.5 K.     

Dopant concentration dependence of structure,optical, and magnetic properties of ZnO:Fe thin films

The effects of Fe-dopant concentration on the structure, optical, and magnetic properties of ZnO thin films were investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), optical transmittance, absorption, photoluminescence (PL), and magnetic measurements. XRD spectra indicated that the doping of Fe atoms could not only change the lattice constant of ZnO but also improve the crystalline quality of ZnO thin films. And the Zn (0 0 2) diffraction peak at round 36.34°(2θ) was detected with increasing Fe content for the substitution of the Zn in the ZnO film. The band gap edge shifted toward longer wavelength with increase in Fe doping. Moreover, near band edge emission gradually increased with increase in Fe content (up to about 0.82 wt%), and then abruptly decreased due to the concentration quenching effect. Magnetic measurements confirmed that the ferromagnetic behavior of Fe-doped ZnO was correlated with the dopant concentration.     

锂离子电池正极材料FePO3

通过控制溶液的pH值用FeCl3和Na3PO4溶液共沉淀法制备出了无定型FePO4·1.3H2O,通过成分析,热分析,X射线衍射和扫描电镜分析对材料进行了表征.该材料在0.2 mA·cm-2的电流密度下起始容量达到130mA·h·g-1同时具有良好的循环性能,表现出一个良好的锂离子电池候选材料.球磨可以提高材料的电化学性质,可能是因为其中活性成份含量提高的原因.当其加热到700℃成为晶态的FePO4时则容量变低,这种高温下容量的损失的机理可能是与高温下形成非活性相有关.     

Optical absorption spectra of LiNbO3, Fe:LiNbO3, and Zn:Fe:LiNbO3 single crystals grown by Bridgman method

The optical absorption spectra of LiNbO₃ (LN), Fe:LiNbO₃ (Fe:LN), and Zn:Fe:LiNbO₃ (Zn:Fe:LN) single crystals grown by Bridgman method were measured and compared. The absorption characteristics of the samples and the effects of growth process conditions on the absorption spectra were investigated. The Fe, Zn and Li concentrations in the crystals were analyzed by inductively coupled plasma (ICP) spectrometry. The results indicated that the overall Fe ion and Fe²⁺ concentration in Fe:LN and Zn:Fe:LN crystals increased along the growing direction. The incorporation of ZnO in Fe:LN crystal induced increase of Fe²⁺ in the crystal. Among Fe‐doped and Zn:Fe‐codoped LN single crystals, 3 mol% ZnO doped Fe:LN had a biggest change of Fe²⁺ ion concentration from bottom to top part of crystal. The effects of technical conditions (atmosphere and thermal history) on Fe²⁺ ion concentration were discussed. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

黄绿色葡萄石的矿物学特征及谱学研究

葡萄石可以以板状、片状、葡萄状、肾状、放射状或块状集合体的形式产出,因其美丽的外观和特殊的晶体结构,近年来受到了学者的广泛关注。本文通过电子探针、粉晶X射线衍射仪、傅里叶变换红外光谱仪、显微拉曼光谱仪、紫外可见分光光度计等仪器对黄绿色葡萄石的成分、结构及谱学特征进行了分析与探讨。葡萄石的主要致色元素为Fe,且Fe³⁺经常取代Al³⁺占据八面体配位,Fe²⁺经常取代Ca²⁺存在于空隙中。电子探针数据表明:Fe与Al的含量变化整体呈现负相关关系,Fe与Ca的含量变化也整体呈现负相关关系,Fe含量相对较高的样品其黄绿色调加深。XRD图谱和拉曼光谱的结果表明:在葡萄石中绿帘石以包裹体的形式存在。红外光谱和拉曼光谱表明葡萄石中存在硅氧四面体和铝氧八面体两种架构,紫外可见吸收光谱揭示了葡萄石的致色机理。本文对葡萄石的矿物学特征及谱学特征进行系统分析,为后续葡萄石的进一步研究提供思路与实验数据。