混合溶剂对P3HT:PCBM基太阳能电池的影响

以poly(3-hexylthiophene)(P3HT)为电子给体材料,[6,6]-phenyl-C60-butyric acid methyl ester (PCBM)为电子受体材料,制备了纯氯苯(CB)溶剂、纯氯仿(CF)溶剂和氯苯/氯仿(CB/CF)不同比例混合溶剂的共混体系太阳能电池.研究了不同溶剂及不同比例混合的混合溶剂对电池性能的影响.结果表明:以CB/CF(3/1)为溶剂制备的器件,紫外可见吸收光谱和器件外量子效率曲线显示出红移现象,原子力显微图表明P3HT和PCBM间形成良好的相分离结构.在100 mW/cm2强度光照射下,其开路电压Voc为0.61 V短路电流密度Jsc为9mA/cm2,填充因子FF为57.9％,能量转换效率PCE为3.2％.     

大气等离子体加工过程的原子发射光谱研究

大气等离子体加工反应过程中,等离子体发生装置的热稳定过程对去除率有直接影响,CF₄是化学反应中活性F*原子的提供者,O₂是重要的辅助气体。为了寻找这三者对大气等离子体加工反应过程的影响规律,采用大气等离子体加工系统进行加工、光谱仪监控等离子体反应过程的活性F*原子的光谱变化。实验结果表明,在大气压等离子体加工系统中: 热稳定后,活性F*原子强度基本不随时间变化;随着CF₄含量的增加,F*原子谱线轮廓发生了自吸收现象,这说明采用光谱法研究CF₄含量对活性F*原子含量的影响是不完全准确的;由于O₂易和CF₄解离的中间产物反应,抑制活性粒子重新组合,因此一定范围内随着O₂含量增加,活性F*原子增加。     

Ni熔体凝固过程中临界晶核和亚临界晶核的分子动力学模拟

本文用分子动力学模拟研究了Ni熔体以不同冷速凝固后微观结构的演变规律, 并通过理论计算确定出了Ni熔体凝固后获得理想非晶的临界条件. 模拟结果发现冷速小于10¹¹ K/s时, Ni 熔体凝固后形成晶态组织; 冷速在10¹¹ K/s到10^14.5 K/s之间时, Ni熔体凝固后形成由晶态结构与非晶态结构组成的混合组织. 冷速小于10¹⁰ K/s, Ni 熔体凝固后形成的晶态组织具有fcc结构; 冷速在10¹⁰ K/s到10^14.5 K/s之间时, Ni熔体凝固后组织中的晶态由fcc和hcp结构层状镶嵌排列构成. 通过分析模拟结果和计算结果, 确定出了Ni熔体凝固后形成理想非晶的临界冷速为10^14.5 K/s. 并发现Ni熔体中临界晶核(冷速等于10^14.5 K/s)和亚临界晶核(冷速大于10^14.5 K/s) 均由fcc和hcp组成层状偏聚结构, 这表明Ni熔体中生长的晶体、临界晶核和晶胚的结构是相同的. 关键词： 分子动力学模拟 晶体团簇 临界冷速 结构     

Dictamdiol的1H NMR 和13C NMR数据全归属

通过二维核磁技术,尤其是HMBC、HMQC和NOESY实验对一个从白鲜皮中分离得到的柠檬苦素类化合物-dictamdiol的¹H NMR 和¹³C NMR数据进行了全归属,并对文献中归属的错误进行了纠正.     

非完整系统Chetaev动力学和vakonomic动力学的等价条件

就一般非完整约束系统，从约束方程满足的变分恒等式出发，利用增广位形流形上的向量场定义三类非自由变分，即非完整变分：vakonomic变分、Hlder变分、Suslov变分，并讨论它们之间的关系以及它们成为自由变分的充要条件.利用非完整变分以及相应的积分变分原理建立两类动力学方程：vakonomic方程和Routh方程或Chaplygin方程.通过vakonomic方程分别与Routh方程和Chaplygin方程比较，得到它们具有共同解的两类充分必要条件.这些条件并不是约束的可积性条件. 关键词： 非完整约束 非完整变分 Chetaev条件 vakonomic动力学     

Luttinger liquid with asymmetric dispersion

We present an extension of the Tomonaga-Luttinger model in which left and right-moving particles have different Fermi velocities. We derive expressions for one-particle Green's functions, momentum-distributions, density of states, charge compressibility and conductivity as functions of both the velocity difference ε and the strength of the interaction β. This allows us to identify a novel restricted region in the parameter space in which the system keeps the main features of a Luttinger liquid but with an unusual behavior of the density of states and the static charge compressibility κ. In particular κ diverges on the boundary of the restricted region, indicating the occurrence of a phase transition. Received 20 May 2002 / Received in final form 23 August 2002 Published online 19 November 2002     

Dynamical fluctuations in fragmentation reactions in a Boltzmann–Langevin approach

Based on the isospin-dependent Boltzmann–Langevin model, the dynamical fluctuations in the fragmentation reaction of ¹¹²Sn+¹¹²Sn are investigated. The quadrupole moment and octupole moment with zero magnetic quantum number have large fluctuations in the early time of the collisions. The dynamical fluctuations in momentum space show a strong dependence on the incident energy. The effects of using different fluctuations on the fragment cross sections are also studied in the fragmentation reactions. The results by using Q₂₀ + Q₃₀ fluctuation have a better agreement with the experimental data. Calculations using Q₂₀ + Q₃₀ fluctuation produce more proton-rich and neutron-rich nuclei than those using Q₂₀ fluctuation only. Besides, the difference between the production cross sections of fragments calculated by using Q₂₀ and Q₂₀ + Q₃₀ fluctuations is larger in the vicinity of the projectile. These results present that the dynamical fluctuations may affect the whole dynamical process of fragmentation reactions including the production of fragments, due to the nonlinear nature of the Boltzmann–Langevin equation.     

Large Strain Tensile Deformation and Failure in Oriented Isotactic Polypropylene/Clay Nanocomposite: Role of Voiding and Molecular Orientation

Plane strain compression of isotactic polypropylene iPP)/clay nanocomposite in a channel die at 140 and 160°C, respectively, has been adopted to prepare oriented samples with well-controlled structure for comparative studies. Molecular orientation in the amorphous phase, independent of clay loadings, decreases with increasing preparation temperature, whereas crystallographic orientation is nearly the same for all oriented samples. Severer voiding and void coalescence during stretching, mostly induced by the crystals and inter-chain sliding in the amorphous phase, respectively, is suggested to be responsible for higher volume dilatation and lower failure strain in the oriented samples prepared at higher temperature (e.g., 160°C). Fracture toughness is well correlated with the molecular orientation and crystal-dependent voiding in the oriented samples with respect to preparation temperatures. Furthermore, debonding of clay in the iPP matrix, especially in the oriented samples prepared at 140°C, is another contributor to the enhanced toughness.     

A Ru(II)-Based Nanoassembly Exhibiting Theranostic PACT Activity in NIR Region

Photoactivated chemotherapy (PACT) has appealing merits over traditional chemotherapy as well as photodynamic therapy (PDT) by virtue of its spatial and temporal control on drug activity and oxygen-independent mechanisms of action. However, the short photoactivation wavelengths, e.g., visible light–activated Ru(II)-based PACT agents, limit the clinical application severely. In this work, a facile construction of supramolecular nanoparticles from a poly(ethylene glycol) (PEG)-modified [Ru(dip)₂(py-SO₃)]⁺ (abbreviated as Ru-PEG, dip = 4,7-diphenyl-1,10-phenanthroline, py-SO₃ = pyridine-2-sulfonate) and 1,3-phenylenebis(pyren-1-ylmethanone) (BP) is shown. While Ru-PEG may undergo photoinduced ligand dissociation and release anticancer species of [Ru(dip)₂(H₂O)₂]²⁺, BP has extremely large two-photon absorption cross sections (δ₂) in the NIR region and intense fluorescence over the wavelengths where Ru-PEG has strong absorption. Thus, two-photon excitation of BP followed by an efficient Förster resonance energy transfer (FRET) from BP to Ru-PEG may lead to a potent inactivation against cisplatin-resistant cancer cells and 3D multicellular tumor spheroids (MCTSs). The residue fluorescence of BP also allows the cellular uptake of the particles to be visualized. This work provides a universal and convenient strategy to realize theranostic PACT in the ideal phototherapeutic window of 650–900 nm.