Quantum chemical studies of Li cation binding to polyalkyloxides

A quantum chemical study of the binding of Li⁺ cation to polyalkyloxides has been carried out. The lithium cation interaction with three polyalkyloxides (polyethylene oxide (PEO), polytrimethylene oxide (PTMO), and polypropylene oxide (PPO)) has been investigated using ab initio molecular orbital theory at the HF/6-31G^* level with molecular models for the polymers. Coordination by one to six oxygens was considered. In addition, higher level calculations were carried out using G3(MP2) theory for coordination of Li⁺ by one oxygen. For coordination of lithium by one oxygen, the binding energy ordering is PTMO>PPO>PEO, with PTMO having the largest lithium cation affinity. The same ordering is found for larger coordination numbers with the exception of coordination by six oxygens, where the ordering changes due to the steric interactions.     

Molecular correlations in sheared thermotropic copolyesters showing banded textures

Banded textures produced in a thermotropic liquid crystal polymer by shearing between glass slides are examined by using both transmission electron and polarized light microscopy. The periodic variation in director orientation about the shear axis, as measured by light microscopy, is shown to be distinctly different from that indicated by electron diffraction. Measurements of birefringence and observation of Zernicke phase contrast indicate periodic variations in optical properties of the polymer, in step with the bands. Such effects are accounted for in terms of a synchronous rotation of the planar aromatic groups about the molecular chain axes. Evidence for an out-of-plane component of molecular orientation is also presented.     

用化学腐蚀制备多孔硅太阳电池减反射膜的研究

采用HF HNO3溶液化学腐蚀 ,在硅片上制备减反射效果优良的多孔硅太阳电池减反射膜 ,借助原子力显微镜 (AFM)和X光电子谱 (XPS)对其表面形貌和成分进行观察 ,发现该膜与电化学阳极腐蚀得到的多孔硅具有相似性 ,其主要成分为非化学配比的硅的氧化物SiOx(X <2 )。采用带积分球的光度分光计 ,测得形成多孔硅减反射膜后 ,硅片表面反射率大大下降 ,,在波长 330～ 80 0nm范围反射率只有 1 5～ 2 9%。研究指出这种强减反射作用 ,与多孔硅具有合适的折射率及其多孔特性的光陷阱作用有关     

有机极化聚合物材料及电光调制器件

有机极化聚合物材料是一类新型的功能高分子材料，在光电子及集成光学方面具有诱人的应用前景，其电光调制器件已接近实用化，本文综述了有机极化聚合物材料，极化聚合物体系及电光调制器件的研究进展，并指出它们存在的问题和发展方向。     

振动力场作用下聚合物挤出制品结构与性能的质量控制与优化

利用实验数据，分析与研究振动场振动参数对聚合物挤出制品质量的影响，对聚合物挤出制品的熔体流动速率，微晶结构，拉伸强度等主要性能质量指标，建立以振动频率为主要控制变量的神经网络模型，并引入信息分配模型，探讨了一个网络输入节点下神经网络学习样本的特征提取与优化。实验结果表明，经过信息预处理的学习样本，可以使网络有更好的收敛效果。     

Network topology and the theory of rubber elasticity

The earliest investigations on rubber elasticity, commencing in the 19th century, were necessarily limited to phenomenological interpretations. The realisation that polymers consist of very long molecular chains. commencing c. 1930, gave impetus to the molecular theory of rubber elasticity (1932-). according to which the high deformability of an elastomer, and the elastic force generated by deformation, stem from the configurations accessible to long molecular chains. Theories of rubber elasticity put forward from 1934-1946 relied on the assumption that the junctions of the rubber network undergo displacements that are affine in macroscopic strain. The theory of James and Guth (1947) dispensed with this premise, and demonstrated instead that the mean positions of the junctions of a ‘phantom’ network consisting of Gaussian chains devoid of material properties are affine in the strain. The vital significance of the distinction between the actual distribution of chain vectors in a network and their distribution if the junctions would be fixed at their mean positions went unnoticed for nearly 30 years. Experimental investigations, commencing with the incisive work of Gee in 1946. revealed large departures from the relationship of stress to strain predicted by the theories cited. This discrepancy prompted extensive studies, theoretical and experimental, during succeeding years. Inquiry into the fundamentals of polymer networks, formed for example by interlinking very long polymer molecules, exposed the need to take account of network imperfections, typically consisting of chains attached at only one end to a network junction. Various means were advocated to make corrections for these imperfections. The cycle rank ζ of the network has been shown (1976) to be the fundamental measure of its connectivity, regardless of the junction functionality and pattern of imperfections. Often overlooked is the copious interpenetration of the chains comprising typical elastomeric networks. Theories that attempt to represent such networks on a lattice are incompatible with this universal feature. Moreover, the dense interpenetration of chains may limit the ability of junctions in real networks to accommodate the fluctuations envisaged in the theory of phantom networks. It was suggested in 1975 that departures from the form predicted for the elastic equation of state are due to constraints on the fluctuations of junctions whose effect diminishes with deformation and with dilation. Formulation of a self-consistent theory based on this suggestion required recognition of the non-affine connection between the chain vector distribution function and the macroscopic strain in a real network, which may partake of characteristics of a phantom network in some degree. Implementation of the idea was achieved through postulation of domains of constraint affecting the equilibrium distribution of fluctuations of network junctions from their mean positions. This led in due course to a theory that accounts for the relationship of stress to strain virtually throughout the ranges of strain accessible to measurement. The theory establishes connections between structure and elastic properties. This is achieved with utmost frugality in arbitrary parameters.     

Silicon ribbons and foils—state of the art

Research and development on crystal growth technologies for production of crystalline silicon ribbon have been under way now for three decades. I review here their progress toward establishment of manufacturing capabilities for silicon wafers for photovoltaic applications. I examine technology improvements which are currently being explored for a future generation of low cost solar products based on ribbon wafers, and discuss potential limits of the technology.     

Ruthenium dye-sensitized SnO2/TiO2 coupled solar cells

The photoelectrochemical behaviors of RuL₂(NCS)₂ dye-sensitized SnO₂/TiO₂ coupled solar cell was studied and compared with TiO₂ single system. The coupled system shows higher incident photon-to-current conversion efficiency (IPCE) value than the single system. A maximum IPCE value in the coupled system with 3.5 μm-thick SnO₂ and 7 μm-thick TiO₂ attained 82.4% at 530 nm wavelength. The higher IPCE value in the coupled system is attributed to the charge separation by fast electron transfer process from the excited RuL₂(NCS)₂ dye to TiO₂ to SnO₂ in the system with different energy level.     

Influence of the intrinsic layer characteristics on a-Si:H p–i–n solar cell performance analysed by means of a computer simulation

In this paper a set of one-dimensional simulations of a-Si:H p–i–n junctions under different illumination conditions and with different intrinsic layer are presented. The simulation program ASCA permits the analysis of the internal electrical behaviour of the cell allowing a comparison among the different internal configurations determined by a change in the input set. Results about the internal electric configuration will be presented and discussed outlining their influence on the current tension characteristic curve. Considerations about the drift–diffusion and the generation–recombination balance distributions, outlined by the simulation, can be used to explain the correlation between the basic device output, the i-layer characteristics (thickness and DOS), the incident radiation intensity and photon energy.     

光漂白法制备有机聚合物非线性定向耦合器

研究了用光漂白的方法制备PMMA/DR1聚合物非线性定向耦合器,提出了一种容易的制备方法来得到要求的耦合长度.测量了材料的光学非线性对定向耦合器两臂透过率的影响.实验结果表明由于光学非线性,耦合器的耦合长度随着入射光强度的改变而发生变化.