Compositional and electrical properties of line and planar defects in Cu(In,Ga)Se2 thin films for solar cells – a review

The present review gives an overview of the various reports on properties of line and planar defects in Cu(In,Ga)(S,Se)₂ thin films for high‐efficiency solar cells. We report results from various analysis techniques applied to characterize these defects at different length scales, which allow for drawing a consistent picture on structural and electronic defect properties. A key finding is atomic reconstruction detected at line and planar defects, which may be one mechanism to reduce excess charge densities and to relax deep‐defect states from midgap to shallow energy levels. On the other hand, nonradiative Shockley–Read–Hall recombination is still enhanced with respect to defect‐free grain interiors, which is correlated with substantial reduction of luminescence intensities. Comparison of the microscopic electrical properties of planar defects in Cu(In,Ga)(S,Se)₂ thin films with two‐dimensional device simulations suggest that these defects are one origin of the reduced open‐circuit voltage of the photovoltaic devices. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Chromatographic and Spectroscopic Studies on β-Cyclodextrin Functionalized Ionic Liquid as Chiral Stationary Phase: Enantioseparation of Flavonoids

In this study, β-cyclodextrin functionalized ionic liquid was prepared by adding 1-benzylimidazole onto 6-monotosyl-6-deoxy-β-cyclodextrin (β-CDOTs) to obtain β-CD-BIMOTs. β-CD-BIMOTs were then bonded onto the modified silica to produce chiral stationary phases (β-CD-BIMOTs-CSP). The performance of β-CD-BIMOTs-CSP was evaluated by observing the enantioseparation of flavonoids. The performance of β-CD-BIMOTs stationary phase was also compared with native β-CD stationary phase. For the selected flavonoids, flavanone and hesperetin obtained a high resolution factor in reverse phase mode. Meanwhile, naringenin and eriodictyol attained partial enantioseparation in polar organic mode. In order to understand the mechanism of separation, the interaction of selected flavonoids and β-CD-BIMOTs was studied using spectroscopic methods (¹H NMR, NOESY and UV–Vis spectrophotometry). The enantioseparated flavanone and hesperetin were found to form an inclusion complex with β-CD-BIMOTs. However, naringenin and eriodictyol were not enantioseparated due to the formation of hydrogen bonding at exterior torus of β-CD-BIMOTs.

     

脉冲电催化的研究进展及性能强化机制

基于电催化的能源转化、化学品合成及污染物降解技术是解决能源与环境问题的重要方式. 一些研究已经证明, 通过简单地施加周期性切换电位的脉冲供电策略, 将会有效提升电催化性能. 本文对脉冲供电策略在电化学高级氧化、电化学二氧化碳还原、有机电合成、电解水制氢等经典电化学体系中的应用及研究进展进行了综述, 并具体分析了其对各类电催化反应性能的强化机制, 这些机制主要包括: 通过周期性更新能斯特扩散层的物质浓度以增强催化活性; 通过动态调控中间体吸附能以提高催化选择性; 通过维持催化剂表面处于非平衡状态, 避免催化剂失活以提高催化剂的稳定性. 最后, 本文展望了脉冲电催化未来所面临的机遇与挑战.     

四色荧光标记二硫键可逆终端的合成及在DNA合成测序中的应用

分别以5-碘-2'-脱氧尿苷、 5-碘-2'-脱氧胞苷、 7-去氮-7-碘-2'-脱氧腺苷及7-去氮-7-碘-2'-脱氧鸟苷为原料, 以二硫键为可裂解连接单元, 通过多步反应合成了四色荧光标记不同碱基的脱氧核糖核苷酸; 研究了该类荧光标记核苷酸作为可逆终端在DNA合成测序中的应用. 所得产物结构经¹H NMR, ³¹P NMR及HRMS表征, 并对其进行了DNA高通量测序的测试. 结果表明, 该类荧光标记核苷酸作为DNA合成测序的可逆终端能够满足高通量测序的生化反应要求, 具有较好的应用前景.     

铜催化卤代芳烃氨解反应的研究进展

铜催化卤代芳烃进行氨解反应是构建碳氮键的重要方法。铜作为催化剂不仅便宜、丰富、相对低毒,而且可以通过几个氧化态进行循环催化。配体的发展则扩展了底物的适用范围,提高了官能团的兼容性和反应的选择性,使得该反应成为一种通用的制备芳胺的方法。本文以铜盐催化剂为线索,对该反应机理进行了简介,对近年来铜催化卤代芳烃的氨解反应的研究进展进行了综述和展望,并指出高活性和高选择性的催化体系依然有限,铜催化剂使用量仍然较大,氨和氯代芳烃的使用还不够广泛,而且关于该类反应详细机理的文献报道还缺乏。此外,发展一个新的、高效的和通用的氨解方法仍然显得极为迫切。     

Approximate conservation laws of perturbed partial differential equations

This paper presents a general result on approximate conservation laws of perturbed partial differential equations. A method of constructing approximate conservation laws to systems of perturbed partial differential equations is given, which is based on approximate Noether symmetries of approximate and standard adjoint systems of the original system. The relationship between the Noether symmetry operators of approximate and standard adjoint system is established. As a result, the approach is applied to the perturbed wave equation and the perturbed KdV equation.     

The resistive coated sphere in the presence of a point generated wave field

We consider the low‐frequency scattering problem of a point source generated incident field by a small penetrable sphere. The sphere, which is also lossy, contains in its interior a co‐ecentric spherical core on the boundary of which an impedance boundary condition is satisfied. An appropriate modification of the incident wave field allows for the reduction of the solution to the corresponding scattering problem of plane wave incidence, by moving the point source to infinity. For the near field, we obtain the low‐frequency coefficients of the zeroth and the first order. This was done with the help of the corresponding solution for the hard core problem and an appropriate use of linearity with respect to the Robin parameter. In the far field, we derive the leading non‐vanishing terms for the normalized scattering amplitude and the scattering cross‐section, which are both of the second order, as well as for the absorption cross‐section, which is of the zeroth order. The special cases of a lossy or a lossless penetrable sphere, of a resistive sphere, and of a hard sphere are recovered by an appropriate choice of the physical or the geometrical parameters. Copyright © 1999 John Wiley & Sons, Ltd.     

Modulating Inorganic Dimensionality of Ultrastable Lead Halide Coordination Polymers for Photocatalytic CO2 Reduction to Ethanol

Lead halide hybrids have shown great potentials in CO₂ photoreduction, but challenging to afford C₂₊ reduced products, especially using H₂O as the reductant. This is largely due to the trade-off problem between instability of the benchmark 3D structures and low carrier mobility of quasi-2D analogues. Herein, the lead halide dimensionality of robust coordination polymers (CP) was modulated by organic ligands differing in a single-atom change (NH vs. CH₂), in which the NH groups coordinate with interlamellar [PbI₂] clusters to achieve the important 2D→3D transition. This first CP based on 3D cationic lead iodide sublattice possesses both high aqueous stability and a low exciton binding energy of 25 meV that is on the level of ambient thermal energy, achieving artificial photosynthesis of C₂H₅OH. Photophysical studies combined with theoretical calculations suggest the bridging [PbI₂] clusters in the 3D structure not only results in enhanced carrier transport, but also promotes the intrinsic charge polarization to facilitate the C−C coupling. With trace loading of Rh cocatalyst, the apparent quantum efficiency of the 3D CP reaches 1.4 % at 400 nm with a high C₂H₅OH selectivity of 89.4 % (product basis), which presents one of the best photocatalysts for C₂ products to date.     

The Role of Hydrogen Bond in Catalytic Triad of Serine Proteases

In order to investigate the origin of catalytic power for serine proteases, the role of the hydrogen bond in the catalytic triad was studied in the proteolysis process of the peptides chymotrypsin inhibitor 2 (CI2), MCTI-A, and a hexapeptide (SUB), respectively. We first calculated the free energy profile of the proton transfer between His and Asp residues of the catalytic triad in the enzyme-substrate state and transition state by employing QM/MM molecular dynamics simulations. The results show that a low-barrier hydrogen bond (LBHB) only forms in the transition state of the acylation of CI2, while it is a normal hydrogen bond in the acylation of MCTI-A or SUB. In addition, the change of the hydrogen bond strength is much larger in CI2 and SUB systems than in MCTI-A system, which decreases the acylation energy barrier significantly for CI2 and SUB. Clearly, a LBHB formed in the transition state region helps accelerate the acylation reaction. But to our surprise, a normal hydrogen bond can also help to decrease the energy barrier. The key to reducing the reaction barrier is the increment of hydrogen bond strength in the transition state state, whether it is a LBHB or not. Our studies cast new light on the role of the hydrogen bond in the catalytic triad, and help to understand the catalytic triad of serine proteases.     

Sensory-Guided Identification and Characterization of Kokumi-Tasting Compounds in Green Tea (Camellia sinensis L.)

The chemical substances responsible for the kokumi taste of green tea infusion are still unclear. Here, we isolated the kokumi compound-containing fractions from green tea infusion through ultrafiltration, and the major kokumi compounds were characterized as γ-Glu-Gln and γ-Glu-Cys-Gly (GSH) through ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS). The results indicated that peptides and amino acids were essential compounds in the kokumi-enriched fractions for conducting the sense of kokumi. L-theanine had an enhancing effect on the kokumi taste of green tea infusion, which was confirmed in the sensory reconstitution study. Thus, peptides, especially γ-Glu-Gln and GSH, are the major kokumi compounds in green tea infusion, which has the potential of improving the flavor of tea beverages.