影响杂化钙钛矿太阳能电池稳定性的因素探讨

自从2009年首次报道采用有机-无机杂化钙钛矿作为吸光材料用于太阳能电池以来, 钙钛矿太阳能电池效率的快速提升引起了人们广泛的关注, 这类电池同时具有制备工艺简单、成本低廉等优点, 引发了钙钛矿电池的研究热潮. 目前研究工作大多数集中在如何提高电池的光电转化效率, 但钙钛矿电池要真正实现产业化应用, 急需要解决材料及器件的稳定性问题. 本文探讨影响钙钛矿材料及器件的稳定性因素, 从温度及湿度等方面分析了材料的稳定性, 从传输材料及其界面问题讨论了器件的稳定性.     

欧拉圆盘不同能量耗散机理之间的关联

本文研究了欧拉圆盘运动过程中盘厚度以及盘面与水平面夹角α两因素对能量耗散的影响. 得出圆盘厚度与直径之比x对能量变化中各项因子的影响: x很小时, 质心在竖直方向上的动能变化和重力势能变化是系统能量耗散的主要因素; 当x>0.4142时, 圆盘绕与之平行的轴的转动动能变化成为主要因素, 并给出圆盘厚度可忽略的条件. 模拟了滚动摩擦、空气黏滞等不同能量耗散方式与x,α的关系, 导出各种耗散方式在圆盘运动的过程中的转变规律, 并指出x=0.1733, α>18°时能量耗散形式为纯滚动摩擦, 这修正了文献[26]结论.     

一种基于仿真资源包的虚拟教学训练系统设计与实现

国防现代化的加速发展对人才培养提出了更高的要求;为了更便捷、更高效的培训部队人才,用最低的消耗实现最佳的训练效果,提出了一种基于仿真资源包的虚拟教学训练系统设计与实现方法;支持仿真资源包的自定义扩展,采用资源包加运行平台的技术架构,满足了结构原理、岗位操作、维护保养、故障排除等方面的训练需求,构建了集教、学、训、考等功能于一体的虚拟教学训练系统;最后应用实例表明,该系统可有效满足教学需求,节省教学资源,提高教学效率,取得了良好的应用效果。     

Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin-orbit coupling

The potential energy curves of the 69 Ω states generated from the 24 Λ-S states of sulfur monoxide are calculated for the first time using the internally contracted multireference configuration interaction method with the Davidson correction and the entirely uncontracted aug-cc-pV5Z basis set. Spin-orbit coupling is taken into account by the state interaction approach with the full Breit-Pauli Hamiltonian. Very good agreement is achieved between our computed spectroscopic properties and the available experimental data. The transition properties of the B(3)Σ(-) -X(3)Σ(-) and (4)1-X0(+) transitions are predicted, and our computed Franck-Condon factors and radiative lifetimes match the experimental results very well. The predissociation mechanisms are investigated, and various new predissociation channels are located. We present a new interpretation on the breaking-off of the rotational levels of the B(3)Σ(-) lower vibrational states observed in experiment, and propose that the predissociation is induced by the Coriolis coupling between the B(3)Σ(-) rovibrational levels and the A(3)Π state. Our calculations indicate that, at ν' = 9, the B(3)Σ(-) state predissociates via the C(3)Π state; around ν' = 14, three spin-orbit-induced predissociation pathways via (1)(5)Σ(+) , (2)(5)Π, and e(1)Π would be open; around ν' = 17, the pathways via (2)(1)Σ(+) , (2)(3)Σ(+) and (2)(5)Σ(+) would contribute. These satisfactorily explain the experimental results about the diffuseness of the B(3)Σ(-) bands. Furthermore, various predissociation pathways of the C'(3)Π state are predicted, through which the C'(3)Π state could predissociate rapidly.     

The infrared spectroscopic characteristics of peripheral octa-substituted phthalocyanines with hexylsulfonyl groups

The infrared spectroscopic data for a series of three 2,3,9,10,16,17,23,24-octakis(hexylsulfonyl)phthalocyanine compounds with eight strong electron-withdrawing hexylsulfonyl groups at the peripheral positions M[Pc(SO₂C₆H₁₃)₈] [M = 2H (1), Cu (2), Zn (3)] have been collected with resolution of 2 cm⁻¹. The infrared spectra of compounds 1 and 3 have also been calculated at the density functional B3LYP level. Detailed assignments of the vibrational bands in the IR spectra have been achieved through comparison of the experimental and calculated results. The influence of the metalation and the substitution of eight strong electron-withdrawing alkylsulfonyl groups on the IR characteristics of the phthalocyanines has been discussed based on the comparison between corresponding data.     

Interaction Between Plumbagin and Human Serum Albumin by Fluorescence Spectroscopy

The interaction of plumbagin (PLU) with human serum albumin (HSA) in physiological buffer (pH=7.4) was studied by fluorescence spectroscopy. Results obtained from analysis of the fluorescence spectra indicated that PLU has a strong ability to quench the intrinsic fluorescence of HSA through a static quenching procedure. Fluorescence quenching data revealed that the quenching constants (K) are 4.43×10⁴, 3.26×10⁴ and 1.69×10⁴ L?mol^?1 at 293, 303 and 313 K, respectively. The thermodynamic parameters ΔH° and ΔS° were calculated to be ?36.63 kJ?mol^?1, and ?35.702 J?mol^?1?K^?1 respectively, which suggested that van der Waals interactions and hydrogen bonds play a major role in the interaction of PLU with HSA. The distance between donor (HSA) and acceptor (PLU) was calculated to be 3.76 nm based on Förster’s non-radiative energy transfer theory. The results of synchronous fluorescence spectra showed that binding of PLU to HSA can induce conformational changes in HSA.     

Preparation and characterization of modified graphite oxide/poly(propylene carbonate) composites by solution intercalation

Modified graphite oxide (MGO)/Poly (propylene carbonate) (PPC) composites with excellent thermal and mechanical properties have been prepared via a facile solution intercalation method. An intercalated structure of MGO/PPC composites was confirmed by X-ray diffraction and scanning electron microscope. The thermal and mechanical properties of MGO/PPC composites were investigated by thermal gravimetric analysis, differential scanning calorimetric, dynamic mechanical analysis, and electronic tensile tester. Due to the nanometer-sized dispersion of layered graphite in PPC matrix and the strong interfacial interaction between MGO and PPC, the prepared MGO/PPC composites exhibit improved thermal and mechanical properties in comparison with pure PPC. Compared with pure PPC, the MGO/PPC composites show the highest thermal stability and the T_g is 13.8 °C higher than that of pure PPC, while the tensile strength (29.51 MPa) shows about 2 times higher than that of pure PPC when only 3.0 wt.% MGO is incorporated. These results indicate that this approach is an efficient method to improve the properties of PPC.     

Production and Characterization of Polyclonal and Monoclonal Abs Against the RNA-Binding Protein QKI

RNA-binding protein QKI, a member of the Signal Transduction and Activation of RNA family, is found to be essential in the blood vessel development and postnatal myelination in central nervous system (Woo et al., Oncogene 28:1176–1186, 2009; Lu et al., Nucleic Acids Res 31(15):4616–4624, 2003; Bohnsack et al., Genesis 44(2):93–104, 2006). However, its wide expression pattern suggests other fundamental roles in vivo (Kondo et al., Mamm Genome 10(7):662–669, 1999). To facilitate the understanding of QKI function in various systems, we prepared the polyclonal and monoclonal antibodies against QKI. To obtain the antigen, recombinant His-tagged QKI was expressed in Escherichia coli and highly purified by Ni²⁺-chelated column combined with hydrophobic and ion exchange methods. Following three types of immunizations with different adjuvants, including Freund’s, PAGE gel, and nitrocellulose membrane, only the antiserum produced with Freund’s adjuvant is effective for Western blot detection. Several McAb clones are able to recognize both endogenous and over-expressed QKI with high affinity in Western blot and immunofluorescence. The specificity of Ab was validated as weakening, and no specific signals were observed in cells with QKI knocking down. Immunohistochemistry analysis further showed positive staining of QKI in kidney where QKI mRNA was abundantly expressed, ensuring the wide applications of the QKI Abs in the ongoing mechanistic studies.     

Enantioselective total synthesis of (-)-kibdelone C

The kibdelones are aromatic polyketide natural products featuring isoquinolinone and tetrahydroxanthone ring systems. They display potent cytotoxicity toward a range of human cancer cell lines. Here, we present an enantioselective total synthesis of kibdelone C that utilizes a Shi epoxidation to establish the absolute and relative stereochemistry, an acid-catalyzed cyclization to form the tetrahydroxanthone, and a C-H arylation to complete the hexacyclic skeleton.