Li ion mobility in TeO2---LiO0.5---LiX (X = F, Cl) glasses determined by Li NMR and impedance spectroscopy

NMR and impedance spectroscopies have been used to study the Li⁺ ion mobility in the TeO₂---LiO_0.5---LiX (X = F, Cl) glasses. Activation energies determined from the temperature dependence of dc conductivity data decrease as the lithium or halogen content increases. Activation energies deduced from the analysis of the ac conductivity data in the complex modulus formalism and corresponding to the true one-particle energy barrier of ionic motion according to the coupling model, have been compared to those deduced from NMR data (T₁⁻¹ relaxation time): a good agreement is obtained. Finally, the influence of the glass composition and ion distribution on Li⁺ ion mobility has been discussed.     

Ru(0001)表面氮分子和钡原子的相互作用

本文采用密度泛函理论方法研究了Ru(0001)表面氮分子和钡原子的相互作用.计算结果表明,钡原子的作用弱化了氮分子键.氮分子键长从Ru(001)-N2表面的0.113 nm伸长互Ru(001)-N2/Ba表面的0.120 nm;分子的拉伸振动频率从2221 cm-1减小到1746 cm-1;氮分子得到的电荷数从清洁表面的0.3e增加到1.1 e.电荷从钡原子6s轨道向钌原子4d轨道转移,转移电荷增强了氮分子2π空轨道和钌原子4d轨道间的杂化作用,导致5σ分子轨道和dπ杂化轨道发生极化.轨道极化使分子电偶极矩增加了约-0.136 e(A).金属钡在Ru(0001)表面氮分子活化过程中具备电子型助催剂的特征.     

离子束反应溅射沉积SiO2薄膜的光学特性

 主要研究采用离子束反应溅射（RIBS）制备SiO2薄膜的折射率、消光系数、化学计量比与氧气在氩氧混合工作气体中含量及其沉积速率的关系。研究结果表明：RIBS制备的SiO2薄膜在0.63 μm处折射率n= 1.48,消光系数小于10-5;随着沉积速率的增加,薄膜的折射率和消光系数随之变大,当沉积速率超过0.3 nm/s,即使是在纯氧环境溅射,折射率值也不低于1.5;通过对红外透射光谱的主吸收峰位置研究得到沉积的SiO2薄膜为缺氧型,化学计量比不超过1.8,且红外吸收峰位置和SiO2折射率存在对应关系,因此在不加热衬底情况下使用RIBS制备SiO2薄膜时,会限制沉积速率的提高。     

蔬果中12种残留农药的亚临界水萃取研究

利用亚临界水可以定量萃取基质中绝大部分化合物的特点,借助加速溶剂萃取仪(ASE)将亚临界水萃取与固相吸附联用,通过在ASE萃取池中填加C18吸附层的方式改进了萃取吸附模式,优化了萃取温度,研究了亚临界水在萝卜、香瓜、苹果和白菜等蔬果基质中对异稻瘟净等12种农药的萃取效果,用气相色谱-串联质谱法(GC-MS/MS)进行检...     

毛细管电泳-电致化学发光法测定土壤中的多抗霉素B

以稀土铕离子(Ⅲ)掺杂的类普鲁士蓝膜(Eu-PB)修饰铂电极为工作电极,采用毛细管电泳-电致化学发光法(CE-ECL)对土壤中的多抗霉素B进行检测.分别对毛细管电泳分离条件和电致化学发光检测条件进行优化,并探讨了体系产生电致化学发光的机理.在优化实验条件下,多抗霉素B可在4 min内得到分离,其ECL强度值与多抗霉素B...     

Molecular modification of coumarin dyes for more efficient dye sensitized solar cells

In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several substituent groups in different positions of the NKX-2311 structure. Two types of substitutions have been considered: the introduction of three electron-donating groups (-OH, -NH(2), and -OCH(3)) and two different substituents with steric effect: -CH(2)-CH(2)-CH(2)- and -CH(2)-HC=CH-. The electronic absorption spectra (position and width of the first band and absorption threshold) and the position of the LUMO level related to the conduction band have been used as theoretical criteria to evaluate the efficiency of the new dyes. The introduction of a -NH(2) group produces a redshift of the absorption maximum position and the absorption threshold, which could improve the cell efficiency. In contrast, the introduction of -CH(2)-CH(2)-CH(2)- does not modify significantly the electronic structure of NKX-2311, but it might prevent aggregation. Finally, -CH(2)-HC=CH- produces important changes both in the electronic spectrum and in the electronic structure of the dye, and it would be expected as an improvement of cell efficiency for these dyes.