Tuning the Hybridization of Local Exciton and Charge-Transfer States in Highly Efficient Organic Photovoltaic Cells

Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss ( ) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed . Herein, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge-transfer (CT) state ratio in its hybridization with the local exciton state to facilitate charge generation, but simultaneously result in a larger . These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.     

Synthesis and Opto-Electronic Properties of Cholesteric Cellulose Esters

Cholesteric materials display unique optical properties which can be exploited in opto-electronic applications such as light emitting diodes. The key feature is the position of the wavelength of the emitted light relative to the one of the selective reflection band. We have synthesized a set of cellulose derivatives displaying the cholesteric phase with the aim to investigate the correlation between chemical structure and properties. Phase transition temperatures, the chain packing, the wavelength of selective reflection but also absorption and fluorescence spectra were investigated as a function of the degree of substitution (DS), the nature of lateral substituents, the composition of doped systems and blends of different cellulose derivatives. Investigated were furthermore the degree of circular polarization of the emitted light for guest–host systems and for cellulose systems with chromophores linked by covalent bonds to the cellulose backbone as well as their performance in light emitting diodes. The conclusion is that the optical properties can be accounted for on the basis of the model of a one-dimensional photonic crystal. The limiting factor with respect to opto-electronic applications is the poor control of the uniformity of the helix formation and orientation.     

Y2O3和CeO2复合掺杂ZrO2纳米晶的制备与表征

以ZrOCl2.8H2O,Y2O3,Ce（NO3）3.5.5H2O为原料,NH3.H2O作沉淀剂,少量表面活性剂PE作分散剂,采用反向共沉淀-喷雾干燥法,结合物理、化学分散技术,成功地制备了Y2O3,CeO2复合掺杂ZrO2纳米粉末。通过DSC-TG,XRD,XPS,BET和SEM等方法对所制得粉末进行了表征。结果表明：以Ce0.1Y0.1Zr0.8O1.95化学计量比制备的多元氢氧化物胶体经过喷雾干燥处理后,在500℃基本完成水合氧化物的分解,577℃附近完成由非晶相向立方相的转变;经过580-1000℃煅烧后,CeO2和Y2O3已经完全固溶到ZrO2中,形成类质同相体,该粉末系列均属于立方相萤石结构;掺杂进入ZrO2晶格中的Ce呈＋4价形式存在;比表面积由22.0 m^2.g^-1（580℃煅烧）减至4.97 m^2.g^-1（1000℃煅烧）;SEM结果显示800℃煅烧的该粉末颗粒尺寸分布均匀,多呈类球状,且粒径在50-80 nm。     

Two-photon Dissociation Study of Carbon Disulfide in Acetonitrile at 266 nm

Using laser flash photolysis/transient absorption technique for the study of two photon photodissociation of carbon disulfide in acetonitrile solution at 266 nm, the transient UV-Vis absorption spectrum of Rydberg state CS2 （6sσg） within 240-370 nm and subsequent dissociation product CS （α^3П） with the maximum absorption at 260 nm were directly observed. The lifetime of CS （α^3П） in the nitrogen and oxygen saturated solution is also studied in our experiment.     

用气相色谱仪测定变压器油中气体

本文采用多柱自动切换气相色谱仪和真空全脱气装置对变压器和互感器用油中的气体进行了系统的分析，除可测定油中的氢、甲烷、乙炔、乙烯、乙烷、二氧化碳和一氧化碳等气体外，还可根据不同需要测定氮、氧以及Ｃ３和Ｃ４烃的含量。本方法已用于诊断变压器和互感器内部变化及故障。     

脑卒中患者血清中8种必需微量元素水平的研究

１１０例脑卒中患者血清中铁，锌，铜，锰，硒，铬，钴，镍的含量水平与对照组比较，结果显示：１．血清的，铜和铬的含量升高，锌，钴和镍的含量降低，两者之间的差异均有高度显著性，Ｐ〈０．０１；２．血清锰和硒的含量与对照组差异无显著性，Ｐ〉０．０５；３．在临床上述元素含量变化可用于脑座中的辅助诊断和治疗。     

A first-principles study of (R)- and (S)-PPA Molecules on Cu(111)

The adsorption of (R)- and (S)-2-phenylpropionamide (PPA, C(9)H(11)ON) molecules on a Cu(111) surface has been investigated using the density functional method with supercell models. The adsorption orientations of both (R)- and (S)-PPA molecules on the surface are the same: the phenyl rings are approximately parallel to the Cu(111) surface and positioned in the hollow sites, the amino and methyl groups occupy two-bridge sites, and the carbonyl occupies the top site. After the adsorption, the bond lengths in the two enantiomers are almost unchanged, but the changes for two dihedral angles show differences, especially for (R)-PPA molecule. The first angles between the (N,C9,C7) plane and the (C9,C7,C6) plane are 19.4 and 0.7 degrees for (R)- and (S)-PPA molecules, respectively, and the second angles between the (C8,C7,C6) plane and the (C7,C6,C5) plane are 74.8 and 0.4 degrees for (R)- and (S)-PPA molecules, respectively. The adsorption energies of (R)- and (S)-PPA molecules are calculated to be -34 and -26 kJ mol(-1), respectively. The simulated scanning tunneling microscopy (STM) images of (R)- and (S)-PPA molecules on the Cu(111) surface display different features and are coincident with the experimental ones. The interaction between the adsorption molecule and the metal surface is found to be responsible for the discrimination of (R)- and (S)-PPA molecules on the surface.     

Mo(W)-Cu(Ag)-S簇合物的非线性光学性能研究

本文介绍了非线性光学性测试中的Ｚ－扫描方法。总结了Ｍｏ（Ｗ）－Ｃｕ（Ａｇ）－Ｓ簇合物的光限制效应、非线性吸收和非线性折射等光学性质。讨论了簇合物结构与光学性能的关系。     

Effect of La2O3／γ—Al2O3 Catalyst on the Activation of CH4 and CO2 to C2 Hydrocarbons under Non—equilibrium Plasma

In the reaction of methane and carbon dioxide to C2 hydrocabons under non-equilibrium plasma, methane conversion was decreased,but selectivity of C2 hydroxarbons was increased when using La2O3/γ-Al2O3 as catalyst. So the yield of C2 hydrocarbons was higher than using plasma alone. The synergism of La2O3/γ-Al2O3 and plasma gave methane conversion of 24.9% and C2 yield of 18.1%. The distribution of C2 hydrocarbons changed when Pd-La2O3/γ-Al2O3 was used as catalyst,the major C2 product was ethylene.     

A study of the chemiluminescence behavior of myoglobin with luminol and its analytical applications

A chemiluminescence signal at 425 nm was observed when ferric state myoglobin was mixed with luminol in alkaline medium. Because the signal was remarkably enhanced in the presence of Fe(CN)₆ ^4–, analytical applications were investigated in a flow-injection system. The increase in chemiluminescence was linearly dependent on myoglobin concentration in the range 0.1 to 100 nmol L^–1, and the limit of detection was 0.04 nmol L^–1 with relative standard deviation 3.2% (3). It was also found that binding of Mb with the ligands CN^–, SCN^–, and F^– significantly inhibited the chemiluminescence reaction. The linear dynamic ranges for the ligands were 1.0–300.0, 0.1–3.0, and 0.5–100.0 nmol L^–1, and the limits of detection (S/N=3) 0.4, 0.04, and 0.2 nmol L^–1, for F^–, CN^–, and SCN^–, respectively. The relative standard deviations were 5.32%, 6.13%, and 3.38% for 0.1 nmol L^–1 CN^–, 0.5 nmol L^–1 SCN^–, and 1.0 nmol L^–1 F^–, respectively. At a flow rate of 2.0 mL min^–1 the assay could be accomplished in 1 min, including sampling and washing. The method has been successfully applied to the determination of myoglobin in human urine and F^– in water samples. A possible mechanism of chemiluminescence production by myoglobin and luminol is presented.