核黄素/银溶胶体系的吸收光谱和表面增强共振喇曼光谱

利用可见紫外吸收光谱和表面增强共振喇曼散射光谱(SERRS)研究了核黄素和银胶颗粒的相互作用。不仅有效地淬灭了黄素发色团的荧光干扰,而且还使其喇曼散射得到显著增强。对SERRS进行了分析和指认,SERRS结果揭示出,黄素发色团与银胶颗粒相互作用所形成的络合物,不同于与银离子所形成的络合物。利用这一方法还得到1000cm^-1以下的喇曼带,这些带多与发色团的环呼吸振动和C—H面外变型振动有关。 关键词：     

低能离子束处理前后氨基酸和碱基的拉曼光谱研究

本文报导我们利用激光拉曼光谱获取低能离子束生物诱变信息的初步探索。初步的研究结果表明拉曼光谱可以给出离子注入前后生物分子结构突变或重组,分子结构突变与注入剂量的关系,分子的光催化修复、自然修复以及离子注入改变的光敏性等信息。     

Oxygen vacancy formation and migration in Sr- and Mg-doped LaGaO₃ : a density functional theory study

Oxygen vacancy formation and migration in La0.9 Sr0.1 Ga0.8 Mg0.2O3δ (LSGM) with various crystal symmetries (cubic, rhombohedral, orthorhombic, and monoclinic) are studied by employing first-principles calculations based on density functional theory (DFT). It is shown that the cubic LSGM has the smallest band gap, oxygen vacancy formation energy, and migration barrier, while the other three structures give rise to much larger values for these quantities, implying the best oxygen ion conductivity of the cubic LSGM among the four crystal structures. In our calculations, one oxygen vacancy migration pathway is considered in the cubic and rhombohedral structures due to all the oxygen sites being equivalent in them, while two vacancy migration pathways with different migration barriers are found in the orthorhombic and monoclinic symmetries owing to the existence of nonequivalent O1 and O2 oxygen sites. The migration energies along the migration pathway linking the two O2 sites are obviously lower than those along the pathway linking the O1 and O2 sites. Considering the phase transitions at high temperatures, the results obtained in this paper can not only explain the experimentally observed different behaviours of the oxygen ionic conductivity of LSGM with different symmetries, but also predict the rational crystal structures of LSGM for solid oxide fuel cell applications.     

The phase transition,hygroscopicity, and thermal expansion properties of Yb_2-xAl_xMo₃O₁₂

Materials with the formula Yb 2-xAlxMo3O12(x =0.1, 0.2, 0.3, 0.4, 0.5, 0.7, 0.9, 1.0, 1.1, 1.3, 1.5, and 1.8) were synthesized and their structures, phase transitions, and hygroscopicity investigated using X-ray powder diffrac- tion, Raman spectroscopy, and thermal analysis. It is shown that Yb2-xAlxMo3O12 solid solutions crystallize in a single monoclinic phase for 1.7 ≤ x ≤ 2.0 and in a single orthorhombic phase for 0.0 ≤ x ≤ 0.4, and exhibit the characteristics of both monoclinic and orthorhombic structures outside these compositional ranges. The monoclinic to orthorhombic phase transition temperature of Al2Mo3O12 can be reduced by partial substitution of Al 3+ by Yb3+, and the Yb2-x AlxMo3O12 (0.0 < x ≤ 2.0) materials are hydrated at room temperature and contain two kinds of water species. One of these interacts strongly with and hinders the motions of the polyhedra, while the other does not. The partial substitution of Al3+ for Yb3+ in Yb2Mo3O12 decreases its hygroscopicity, and the linear thermal expansion co- efficients after complete removal of water species are measured to be 9.1×10 6 /K, 5.5×10 6 /K, 5.74×10 6 /K, and 9.5 × 10 6 /K for Yb1.8 Al0.2 (MoO4)3 , Yb1.6Al0.4 (MoO4 )3, Yb0.4 Al1.6 (MoO4)3 , and Yb 0.2Al1.8 (MoO4)3 , respectively.     

532nm连续激光晶化非晶硅薄膜的原位拉曼光谱研究

用磁控溅射制备了非晶硅薄膜,用波长为532 nm的连续激光退火和显微Raman光谱原位测试技术和场发射扫描电子显微镜研究了非晶硅薄膜在不同激光功率密度和不同扫描速度下的晶化状态。结果表明,激光照射时间10 s,激光功率密度大于2.929×105W/cm2时,能实现非晶硅薄膜晶化。在激光功率密度为5.093×105W/cm2,扫描速度为10 mm/s时非晶硅开始向多晶硅转化。在5.093×105W/cm2的功率密度下,以1.0 mm/s的扫描速度退火非晶硅薄膜,得到的晶粒直径为740 nm。     

负膨胀材料Zn(CN)_2和Cd(CN)_2的晶格振动分析

运用群论理论对负膨胀系数材料Zn(CN)2和Cd(CN)2的晶格振动进行了对称性分类,利用第一性原理密度泛函理论计算了它们布里渊区中心点的声子频率和Grüneisen参数,根据计算得到的各个模式所对应的本征矢对各个振动模式进行了指认,根据各模式Grüneisen参数讨论了负膨胀机理。在11个光学振动模式中,一个属于Zn/Cd原子的晶格振动模,位于223 cm-1/154 cm-1;5个属于C≡N刚性单元平移振动模;3个属于C≡N刚性单元天平动;2个属于C≡N刚性单元内振动。有7个振动模为拉曼活性,4个振动模为红外活性,两个振动模红外和拉曼均为非活性。C≡N刚性单元的3个低频平移振动模和全部天平动模的Grüneisen参数为负,对负热膨胀的产生有贡献,振动频率为47 cm-1的平移振动模具有最大的负Grüneisen参数,对负膨胀贡献最大。     

固溶体Fe_(2-x)Yb_xMo_3O_(12)的相变、吸水性及热膨胀性能

采用固相烧结法,以Yb2O3、MoO3、Fe3O4为原料制备了Fe2-x Ybx Mo3O12(x=0,0.2,0.4,0.6,0.8,1,1.2,1.4,1.6,1.8,2)系列固溶体,并通过X射线衍射图样、Raman光谱、热分析以及膨胀系数测试对其结构、相变、吸水性及热膨胀性能进行了研究。结果表明Fe2-x Ybx Mo3O12当x≤0.4时是单斜相,当x≥0.6时是正交相,随着x值的增加Fe2-x Ybx Mo3O12材料的相变温度逐渐降低。Fe2-x Ybx Mo3O12含有的水分子可以分为两类,一类吸附在晶体表面对晶格振动没有影响,第二类进入晶体内部对晶格振动产生较大影响,导致负膨胀性质的消失,只有完全失去水分子后才表现负热膨胀性能。     

CO$lt;sub$gt;2$lt;/sub$gt;激光烧结合成负热膨胀材料Sc$lt;sub$gt;2$lt;/sub$gt;($lt;i$gt;M$lt;/i$gt;O$lt;sub$gt;4$lt;/sub$gt;)$lt;sub$gt;3$lt;/sub$gt;($lt;i$gt;M$lt;/i$gt;=W,Mo)及其拉曼光谱

用CO₂激光烧结合成了负热膨胀材料Sc₂(WO₄)₃和Sc₂(MoO₄)₃. 实验表明, 激光合成负热膨胀材料Sc₂(WO₄)₃和Sc₂(MoO₄)₃属于快速合成技术, 合成一个样品的时间仅需几秒到十几秒, 具有快速凝固的特征; X射线衍射和拉曼光谱分析表明, 所合成的材料为正交相结构, 且具有较高的纯度; 变温拉曼光谱分析表明, 所合成的材料在室温以上没有相变, 但可能有微弱的吸水性; 在对Sc₂O₃, MoO₃, WO₃, Sc₂(MoO₄)₃和Sc₂(WO₄)₃拉曼光谱分析的基础上, 给出了激光光子能量及原料和合成产物的声子能级图, 分析了激光烧结合成的机理. 激光光子能量转化为激发声子的能量是光热转化的主要通道, 原料在熔池中反应并快速凝固形成最终产物. 关键词： 负热膨胀材料 合成 激光烧结 拉曼光谱     

基于金纳米颗粒的新型指纹识别技术

指纹携带有人类的特殊信息,是最重要的个体特征之一。快速、清晰的指纹识别和提取对于刑事侦探、公共安全等领域具有重要的意义。金属纳米颗粒在暗场下对光具有强烈的散射作用,本文利用这一散射特性来研究指纹成像。在暗场成像条件下,当指纹和金属纳米颗粒相结合,金属纳米颗粒的散射性能呈现出指纹细节特征。这一特性为指纹的提取提供一种新方法,该方法可实现快速、简单的指纹信息提取,避免了化学方法对指纹细节信息的破坏。