高电导率的a—SiHY合金的低温电导特性

用射央求地在硅单晶衬底上沉积出电导率高达６０Ｓ／ｃｍ的ａ－ＳｉＨＹ合金薄膜。在２０－３００Ｋ，对于钇含量高的样品，其电导仍是热激活的。ｌｇσ与１／Ｔ的关系曲线能够被拟合成斜率不同的两条直线，直线的斜率和两直线间拐点所地 温度依赖于膜中钇的含量。但对钇含量低的薄膜，电导对温度的依赖关系度为σ∝ｅｘｐ（－１／Ｔ＾１／４）。结果表明，这些钇含量不同的样品在没的温度范围内具有不同的导电机制。     

利用LB技术以寡聚DNA为模板构建CdS纳米结构

利用Langmuir-Blodgett技术制备了十八胺（ODA）／十聚腺嘌呤（oligo-A10)单分子膜，并以其为模板制备了不同形状的Cds纳米结构，结果表明以在低膜压下转移的寡聚DNA单层为模板可诱导生成线形的Cds纳米结构，而以在主膜压下转换的寡聚DNA单层膜板得到的是Cds的球形结构聚集体。     

Synthesis of a Photolabeling Probe for the Study of Antiviral Mechanism of Ribavirin

Ribavirin has been used in urgency to treat SARS patients recently. In order to study its antiviral mechanism by photolabeling approach, we have synthesized and characterized 5-azido-1-β-D-ribofuranosyl-1,2,4-triazole-3-carboxiamide 1 as a photolabeling probe of ribavirin. The azidotriazole nucleoside showed rapid and clean photochemical reaction, suggesting that 1 is a promising probe to study the antiviral mechanism ofribarivin by photolabeling.     

金属卟啉化合物光催化反应研究（Ⅳ）：—四苯基钴卟啉光…

研究了不同的有机溶剂中四苯基钴卟啉（Ｃｏ（Ⅱ）ＴＰＰ）的光助还原Ｏ２反应，详细讨论了溶剂效应和有机碱的轴向配位效应对光还原反应的影响，同时对反应机理进行了探讨。结果表明，溶剂的极性越大或有机碱的轴向配位能力越强时，光还原Ｏ２反应的速率越大。     

How can the Cross-Link Adducts Formed by Novel Trans Platinum Drug be Influenced by Hydrogen Bond

A systematic quantum chemical characterization of intrinsic structure, energies and spectral properties of all the studied cross-link adducts formed by the novel trans platinum with thiazole ligand has been carried out at B3LYP/6-31G^＊ level of theory with the Lanl2dz pseudo potential basis set for the Pt atom. Special attention has been paid to the relative stability of these complexes and the factors that probably alter the order of the relative stability. The important influence of hydrogen bond on the structures, the energies and the spectral property was revealed. Other factors that contribute to relative stability including solvation effect, entropy and electronic delocalization energy were taken into account. The stability energy of the whole complex, and the interaction energy between two purine bases and the [Pt-（NH3）thiazole]^2＋ group were adopted to study the interplay among subsystems and their contribution to relative stability of all the studied cross-link model. Finally, basic spectral properties of these complexes including H（8） chemical shifts of all the studied complexes and the VCD （vibrational circular dichroism） spectra of two pairs of GG chelate enantiomers, were provided in order to define the structure of the most possible duplex bearing novel trans platinum drug lesions.     

MX2型二维半导体载流子迁移率理论预测

为找到未来半导体晶体管合适的沟道材料,计算了14种MX_2(其中M=Mo,W,Sn,Hf,Zr和Pt,X=S,Se和Te)型二维半导体载流子有效质量、带隙以及电子和空穴迁移率。在计算过程中,为了快速对载流子迁移率进行估计,利用形变势的近似电声耦合矩阵元。计算时考虑长波光学声子和声学声子的散射,而在极化晶体中,考虑了极化散射。计算结果表面,WS_2,PtS_2以及PtSe_2具有最高的电子迁移率以及非零的带隙。其中,PtSe_2的电子在室温下的理论迁移率上限为4000 cm~2·V~(-1)·s~(-1),而W,Hf和Zr的二维化合物室温时的空穴迁移率较高,其中含W的化合物理论迁移率上限到2600 cm~2·V~(-1)·s~(-1)。该计算研究为实验合成高迁移率的二维材料提供指导,同时为实验获得高性能以二维材料作为沟道的场效应晶体管提供参考,加速二维材料的应用。     

Cu/TiO2-NiO上光促表面催化CO2和H2O合成CH3OH反应规律

采用溶胶-凝胶法制备了n(电子型)-p(空穴型) 复合半导体材料0.5％Cu/TiO2-2.0％NiO (w),利用X射线衍射(XRD)、透射电镜(TEM)、红外光谱(IR)、紫外-可见光漫反射(UV-Vis)、程序升温脱附(TPD)技术对材料结构、吸光性能、化学吸附性能进行了表征,研究了该材料对CO2和H2O合成CH3OH的光促表面催化反应(PSSR)规律.结果表明,所制备材料能够明显促进目的反应,室温条件下即有CH3OH生成.在200 ℃下,由于光-表面-热的协同效应,CO2转化率得以提高,且CH3OH的选择性达到87.5％ .根据实验结果,得出CO2在材料表面的卧式吸附态为CH3OH的前驱物,并对PSSR机理进行了讨论.     

NaBr对C12-s-C12•2Br/氯仿体系中反胶团增溶水能力的影响

近红外(NIR)光谱技术可用于表征氯仿体系中反胶团增溶水的能力. 对于C12-s-C12•2Br (s=2, 3, 4, 5, 6, 8)系列, 不论体系是否含有NaBr电解质, 由于具有较短联接链的表面活性剂易形成较大的反胶团, 其增溶水的能力随着联接链长度增加而降低. 与未含NaBr电解质的体系相比, 当体系中存在NaBr电解质时所形成的反胶团增溶水能力降低.     

超支化聚氨酯固体电解质导电性能的光谱学研究

用超支化聚氨酯 +线性聚氨酯作为基体 ,LiClO4作为离子源制得聚合物固体电解质 .用Raman光谱 ,FTIR光谱等光谱学方法研究了聚合物电解质中盐离子和聚合物基团之间的相互作用 .研究表明超支化聚氨酯对盐有较好的溶解作用 .研究还表明超支化聚氨酯加入有利于提高体系的电导率     

Chemical Reduction of CO2 to Different Products during Photo Catalytic Reaction on TiO2 under Diverse Conditions： an Overview

The chemical reduction of CO_2 remains a challenge with respect to the reversal of the oxidative degradation of any organic materials.The conversion of CO_2 into useful substances is essential in developing al- ternative fuels and various raw materials for different in- dustries.This also aids in preventing the continuous rise in tropospheric temperature due to the green house effect of CO_2.In this article an overview of the growth taken place so far in the field of CO_2 chemical reduction is pre- sented.The discussion comprises of photochemical meth- ods for the development of different products,viz.CO, CH_3O_H and CH_4,through chemical reduction of CO_2. This includes the use of photo catalysts,mainly TiO_2, and the role of a hole scavenger(such as 2-propanol)for this purpose.