聚并苯、聚并吡啶和多聚氰结构和电子性质的比较研究

采用量子化学－维紧束缚的ＳＣＦ－ＬＣＡＯ－ＭＯ法，对于聚并苯分子以及它的链中－ＣＨ＝被－Ｎ＝部分取代后得到的聚并吡啶，多聚氰分子进行了理论研究。能带结构分析表明：Ｎ的取代改变了结构的多样性，增多了亲电或亲核掺杂的活性点，但本征导电性能未得到改善。     

谐波的抑制与无功功率补偿分析

分析了并联补偿电容器组引起的谐波电流放大问题,提出了相应的解决方法,进行了滤波器设计和滤波效果的数字仿真,取得了满意的效果.     

有机小分子电致发光材料及器件的研究进展

综述了以有机小分子发光材料为基础的红绿蓝和白光有机发光二极管的结构、发光性质,简要介绍了其应用前景和发展趋势。     

One-pot synthesized polyurethane-based nanocomposites filled by original rectorite with enhanced strength and elongation

The unmodified rectorite(REC),a kind of layered silicate,was incorporated into polyurethane (PU)as matrix by the process of one-pot synthesizing polyurethane in situ,and hence produced a series of nanocomposite materials with enhanced strength and elongation.It is worth noting that the nanocomposite containing 2 wt%REC had the maximum elongation(1 449%)and strength(32.66 MPa)as ca.2.7-and 1.4-fold over those of neat PU film,respectively.Meanwhile,the unexfoliated agglomerates and exfoliated nanoplatelets of REC co-existed in PU matrix.By virtue of strong interfacial interaction on the surface of REC lamella,the stress facilely transferred to the rigid RECs and hence contributed to the enhancement of strength in spite that the original structure and interaction in the PU matrix were partly cleaved.Moreover,the intertwisting of polymer chains in PU matrix with REC as well as the gliding among the REC lamellae might produce greater strain.Nevertheless,excess unexfoliated REC agglomerates under high loading level inhibited the enhancement of mechanical performances,which verified the key role of exfoliated REC nanoplatelet in improving mechanical performances.As a result,this work submitted a simple method to develop a polyurethane-based nanocomposite with high mechanical performances without any modification of layered silicates and the complicated treatment for exfoliation and dispersion.     

2,2’-联吡啶钐(Ⅲ)配合物的合成及生物活性研究

文章通过X-射线单晶衍射表征了一个2,2’-联吡啶钐稀土配合物[Sm(2,2’-bipy)2(NO3)3],紫外光谱、荧光光谱和粘度法的研究结果表明配合物与DNA的作用方式为插入模式。采用MTT法研究了配合物对人体癌细胞的增殖抑制作用,实验结果表明:在50μmol/L浓度下,该配合物对5种肿瘤细胞HeLa,NCI-H460,MCF-7,HL-60和HepG-2都表现出一定的活性。     

聚羧烷基吡咯导电性能的计算

在能带理论的基础上，通过EHMACC／CO程序计算了一系列一维导电化合物，讨论了取代基不同形态和不同烷基链长对其自掺杂导电性能的影响．结果表明，聚羧乙基吡咯3种状态的导电率大小顺序为：酸盐交替型〉盐型〉酸型；不同烷基链长度对聚合物导电性的影响不同，烷基链过短或过长时，聚合物的导电性都会减弱，只有中等链长才使吡咯环导电性最好．     

高氯酸根在聚并吡啶表面的吸附行为对导电性能的影响

用量子化学ＭＮＤＯ、ＣＮＤＯ／２和ＥＨＭＯ－ＣＯ方法研究高氯酸根（ＣｌＯ＾－４）在聚并吡啶表面的吸附行为以及对聚合物能带结构的影响,结果表明：ＣｌＯ＾－４可吸附在聚并吡啶表面的不同位置,洞位为最稳定吸附点,ＣｌＯ＾－４在大多数位置的吸附使体系的能隙变窄,Ｔ３位减小最多,ＣｌＯ＾－４掺杂聚并吡啶有利于导电性能的提高。     

Effects of size and surface modification of multi-walled carbon nanotubes on mechanical properties of polyurethane-based nanocomposites

Polyurethanes/multi-walled carbon nanotube (PU/CNT) composites were prepared with a help of ultrasonically dispersing CNT in the traditional procedure of synthesizing polyurethane. In this case, the various loading levels, sizes and surface-modified groups were considered to regulate the mechanical performances of the PU/CNT nanocomposites. Moreover, the structure and mechanical properties of all the PU/CNT nanocomposites were investigated by attenuated total reflection-Fourier transform infrared spectroscopy, dynamic mechanical analysis, scanning electron microscope, transmission electron microscope, and tensile testing. The experimental results showed that a moderate loading-level of 0.1wt% and a diameter of 10-15 nm for CNT could produce the maximum tensile strength and elongation while it was worth noting that the surface carboxylation of CNT could further enhance the tensile strength and elongation of the PU/CNT nanocomposites.     

类金刚石薄膜的微结构及其电学性质的研究

通过透射－反射谱,红外光谱表征了类金刚石ａ－Ｃ：Ｈ：Ｎ薄膜微结构与氮含量的关系。实验结果表明,随Ｎ２／Ａｒ气体流速比的增加,在ａ－Ｃ：Ｈ：Ｎ膜内Ｎ－Ｈ含量增加,Ｃ－Ｈ含量减少。     

Structure and mechanical properties of waterborne polyurethane-based composites filled with self-assembled supramolecular nanoplatelets

New composites of waterborne polyurethane (WPU) as a matrix were prepared by incorporating rigid supramolecular nanoplatelets (SNs) as filler, which were self-assembled by the selective inclusion of β-cyclodextrin (β-CD) onto poly(propylene oxide) (PPO) segment in the poly(ethylene oxide)-block-PPO-block-poly(ethylene oxide) (PEO-b-PPO-b-PEO). It is worth noting that, when the loading level of SN is lower than 3wt%, the SNs with moderate PEO length result in the simultaneous increase in strength, elongation and Young’s modulus in contrast with neat WPU. If there is no stretching free PEO chain, both strength and elongation decrease in spite of an increase in Young’s modulus. However, too long PEO chains result in the decrease of mechanical performances while the relatively higher loading-level of SNs also inhibits the enhancement of strength and elongation.