有机非线性光学材料的进展

非线性光学材料是激光等高科技的重要素材，早期多为无机物，八十年代以后有机材料以其诸多的优点迅速发展起来，但目前的研究还处于品种筛选阶段。本文根据分子结构主要对各类有机低分子非线性光学材料近几年的发展作一评述。     

聚硅烷的奇异特性及其应用

综述聚硅烷的光学特性、电学特性、光敏特性、热分解转化特性及功能化改性等多种奇异特性,并分别阐述了其在相应领域的应用现状及发展剪影。     

高分子非线性光学材料研究进展

本文概述了高分子非线性光学材料的发展、结构与性能、研究状况,其发展前景也作了讨论。     

玻璃非线性光学材料研究进展

全光学装置的成功的关键是材料的选择与开发。此类材料必须具备足够高的非线性折射率和亚皮秒级的响应时间。在这方面光学玻璃具有较大的优质和潜力。对不同玻璃系统进行的旨在提高玻璃非线性光学折射率的研究结果表明，材料的非线性折射率ｎ２大致随其线性折射率ｎ０的增加而提高，通常认为，低折射率玻璃的非线性化学光学效应主要受限离子极化的影响，而网络形成和调整阳离子的作用可忽略不计。     

新型红外非线性光学材料成果获好评

日前，中国科学院福建物构所承担的省级自然科学基金重大项目——新型光电子功能材料新型红外非线性光学材料。通过福建省科技厅组织专家评审，专家对项目取得的成果给予高度评价。     

非线性光学材料研究现状与应用前景

作者从无机材料、有机材料、高分子材料、无机/有机复合材料、金属有机材料5个方面对非线性光学材料进行了分类综述,介绍了非线性光学材料的发展历程;讨论了它们的非光学性质、特点,并将有机非线性光学材料与无机非线性光学材料作对比,分别介绍了各自的优势与不足,展望了非线性光学材料的发展前景.     

用多孔玻璃制备含有金微粒的非线性光学材料

以多孔玻璃为基础,使金的微粒子分散于多玻璃的孔隙内。制出了具有三阶非线性性质的光学玻璃材料,测定了可见光区的透光率,讨论了金微粒子的形成条件。用简并四波混合法（ＤＦＷＭ）测定了三阶非线性极化ｘ＾（３）（其值为２．０×１０＾１２ｅｓｕ）。     

聚硅烷的合成及性能研究

采用Wurtz偶合法合成了三元共聚的聚硅烷.用X-射线衍射(CPS)、红外光谱(FT-IR)、透射电镜(TEM)、偏光显微镜等对其结构和性质进行了分析和表征,发现这种聚合物是非晶态且部分结构有序.它的热稳定性比较好,在300℃以上才发生分解.并用紫外光谱(UV)和荧光光谱对它的光学性能进行了研究,它在近紫外区有很强且宽的吸收光谱.受紫外光照射时可发出蓝光,且在近紫外区有很强的发射光谱.它将成为一种很好的光学材料.     

关于非线性光学材料的一个新视角

正多量子阱半导体异质结构已经通过人工方式生成,它们能产生有用的非线性光反应,远远超过传统非线性光学材料所产生的反应。但它们的应用范围受到几何限制,因为它们要求入射光垂直于半导体层被偏振。现在,Jongwon Lee等人通过将一个等离子激元元表面耦合到半导体异质结构上发现,这种几何限制     

有机低分子三阶非线性光学材料的研究与发展

介绍了有机低分子三阶非线性光学材料的原理,根据分子结构特征对各类有机三阶非线性光学材料的分子设计,结构与性能关系研究及开发现状等作了综合评述。     

Preparation and characterization of a novel composite based on hyperbranched polysilane and fullerene

Conjugated polymers doped with fullerenes have shown promising application in photovoltaic cells, in which photoinduced charge transfer takes place. Here, we report a novel composite that was prepared by in situ polymerization of σ‐conjugated hyperbranched polysilane in the presence of fullerene. Both of the hyperbranched polysilane and fullerene have 3D structures, which are propitious to preparing materials with interpenetrating structure. The resulting composite has good solubility in common organic solvents and the UV spectrum edge suggests a low bandgap. Photoluminescence quenching in the composite is shown by the PL spectra and is also observed from the fluorescence microscopy images, which may be ascribed to the PCT from the hyperbranched polysilane to the fullerene. The composite was also characterized by GPC, FTIR, NMR, XRD, and TGA. Through further discussion, there may be π‐π stacking between hyperbranched polysilane and fullerene, which enhances the photoinduced charge transfer. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007     

主链液晶聚硅（氧）烷的液晶行为

综述了主链液晶聚硅烷和主链液晶聚硅氧烷（包括线型、环型和梯形结构）的热致和溶致液晶行为,指出主链液晶聚硅（氧）烷具有较稳定的热致液性能,其液晶相态温度范围最宽可达３７５℃,且多数在室温下 柱状液晶相态。带有表面活性苈团例链的线型聚硅烷以水为溶剂时,可形成溶致液晶,其呈现液晶行为的临界浓度约为３０％。液晶聚硅（氧）烷所具有的液晶行为膜使其成为一种新型的功能性硅橡胶。     

LiFePO4系列电池材料的电子结构与性能研究

用离散变分密度泛函(DFTDVM)方法计算了I-iMPO1(M=Mn,Fe、Co、Ni)和FePO1,讨论了组成、电子结构、化学键等与性能之间的关系。从LiMnPO,到LiNiPO1离子键和共价键强度都降低,再加上态密度的比较都表明,从LiMnPO1到LiNiPO1电导率逐渐升高。LiFePO1,的离子键和共价键强度都些FePO1低,以及态密度的变化都表明,LiFePO1,的电导率比FePO1高。O2P分态密度主要贡献总态密度靠近费米能级的价带,M3d主要贡献总态密度靠近费米能级的导带,其它各个分态密度的主峰则离费米能级较远。     

钼酸镉晶体电子结构和光学性质的第一性原理研究

本文利用了基于密度泛函理论的第一性原理和平面波赝势方法计算了CdMoO4晶体的电子结构和光学性质.分别采用了广义梯度近似(GGA)和局域密度近似(LDA)对晶胞参数进行优化,得到了最稳定状态下的晶胞参数.在优化结构的基础上得到了两种近似下的能带结构,电子态密度和介电函数.能带结构表明CdMoO4的价带顶和导带底均在Γ点,直接带隙分别为2.342 eV (GGA),2.241 eV (LDA).电子态密度计算结果说明Mo4d和O2p轨道之间强烈杂化形成Mo-O共价键,且其键性强于Cd-O键.计算得到的介电函数实部与虚部和Abraham等用WIEN97软件计算的结果吻合得较好.     

Optical anisotropy and non-linear optical properties of azobenzene methacrylic polymers

Photoinduced optical anisotropy has been studied in several methacrylic copolymers, either amorphous or liquid crystalline, with cyano azobenzene chromophores in the side chain. Illumination with linearly polarised 488 nm light gives rise to high and stable values of birefringence and dichroism, mainly in liquid crystalline films. Both dichroism and birefringence decrease with the azo content in the copolymer series while some increase can be achieved by the incorporation of biphenyl molecules to the copolymers. Photoinduced anisotropy disappears above the glass transition temperature in amorphous polymers, whereas it increases in liquid crystalline polymers (LCP) due to a thermotropic self-organisation.The non-linear optical (NLO) properties of the films have been studied by second harmonic generation (SHG) measurements. The intensity of the harmonic signal from in situ corona poled polymeric films has been measured. The effect of 488 nm light irradiation on the azo chromophores orientation and consequently on the NLO response of the films was investigated at different temperatures. The intensity and thermal stability of the second harmonic signals obtained after the two different (thermal and photoassisted) corona poling processes have been compared.     

四卤代金属酞菁的合成及光谱研究

以邻苯二甲酸酐、金属盐、尿素及钼酸铵为原料，采用熔融法合成了2，9，16，23-四氯金属酞菁，通过红外、紫外吸收光谱对配合物进行了表征。结果表明，取代基的引入使配合物的紫外吸收光谱发生红移，B带基本不变。中心离子对Q带最大吸收波长λmax次序为Mn（Ⅱ）〉Cd（Ⅱ）〉Ni（Ⅱ）。     

Theoretical Studies of the Electronic Properties of Ceramic Materials

The first-principles orthogonalized linear combination of atomic orbitals (OLCAO) method for electronic structure studies has been applied to a variety of complex inorganic crystals. The theory and the practice of the OLCAO method in the local density approximation are discussed in detail. Recent progress in the study of electronic and optical properties of a large list of ceramic systems are summarized. Eight selected topics on different ceramic crystals focusing on specific points of interest are presented as examples. The materials discussed are AIN, Cu₂O, β-Si₃N₄, Y₂O₃, LiB₃O₅, ferroelectric crystals, Fe-B compounds, and the YBa₂Cu₃O₇ superconductor. The results include the band structure, density of states, charge density distribution, spin density distribution, effective charges, total energy and totalenergy-derived results, optical absorption, positron annihilation spectra, and more. Extension of the band theoretical approach to the study of other areas of fundamental ceramic science is also discussed.     

Electron Paramagnetic Resonance, Optical, and Electronic Structure Studies of Photorefractive Barium Titanate

Barium titanate (BaTiO₃) is an important electrooptic ferroelectric oxide material which exhibits the unusual optical nonlinearity of photorefractivity. There is evidence that the photorefractive effect, which refers to the change in the index of refraction of the crystal by the action of light, is related to the presence of defects/impurities such as transition metal ions and/or cation or anion vacancies. This paper will review our electron paramagnetic resonance, optical, and theoretical eletronic structure studies aimed at probing the nature of the defects/impurities in BaTiO₃ and their role in the photorefractive effect.     

Infrared emissivity property study and conformational analysis of helical polysilane

Left and right single‐handed helical polysilane (L‐HPS and D‐HPS) and racemic helical polysilane (R‐HPS) were synthesized by the Wurtz‐type coupling reaction. The chiral dichloro(methoxycarbonyl ethyl propyl ether)methylsilane monomers applied in copolymerization were derived from methyl d /l ‐lactate. The obtained polymers were characterized by ¹H and ¹³C nuclear magnetic resonance, Fourier transform infrared spectroscopy, ultraviolet–visible spectroscopy, circular dichroism spectroscopy, gel permeation chromatography and X‐ray diffraction. Infrared emissivity (IRE) values were also investigated. Compared to R‐HPS, L‐HPS, and D‐HPS, a pair of mirror image, showed higher crystallinity, better thermal stability, and lower IRE (8–14 mm) at the values of 0.592 and 0.576, respectively. The higher regular secondary structure of HPSs was attributed to the formation of intermolecular hydrogen bonds. To further study the configurations of L‐HPS, D‐HPS, and R‐HPS, rotational isomeric state scheme with molecular dynamics simulation have been utilized. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46335.