聚合物/富勒烯共混体系双分子穿插对有机体相异质结太阳能电池性能的影响

有机体相异质结太阳能电池有源层形貌直接影响器件能量转换效率.在聚合物/小分子共混体系中,当小分子尺寸小于聚合物侧链间距时,且与聚合物相互作用能形成基态-电荷转移态复合物时能够形成双分子穿插结构.双分子穿插结构改变了共混体系的薄膜形貌,不利于器件的光电转换过程.本文从双分子穿插结构形成过程入手,论述了双分子穿插行为对共混体系结晶行为及相分离行为的影响,以及对器件光电转换过程中激子扩散与分离及载流子传输等物理过程的影响;详细阐述了现阶段抑制双分子穿插行为的化学、物理方面的主要方法及相关原理.同时,我们进一步提出了该领域尚待解决的问题并对其发展前景进行了展望.     

Extraction and isolation of diphenylheptanes and flavonoids from Alpinia officinarum Hance using supercritical fluid extraction followed by supercritical fluid chromatography

In this paper, an off-line combination method of supercritical fluid extraction and supercritical fluid chromatography was developed for the selective extraction and isolation of diphenylheptanes and flavonoids from Alpinia officinarum Hance. The enrichment of target components was successfully achieved using supercritical fluid extraction with the following conditions (8% ethanol as co-solvent at 45°C and 30 MPa for 30 min). Taking full advantage of the complementarity of supercritical fluid chromatography stationary phases, a two-step preparative supercritical fluid chromatography strategy was constructed. The extract was firstly divided into seven fractions on a Diol column (250 × 20 mm internal diameter, 10 μm) within 8 min by gradient elution increasing from 5% to 20% modifier (methanol) at 55 ml/min and 15 MPa. Then the seven fractions were separated by using a 1-AA or a DEA column (250 × 19 mm internal diameter, 5 μm) at 50 ml/min and 13.5 MPa. This two-step strategy showed superior separation ability for structural analogs. As a result, seven compounds, including four diphenylheptanes and three flavonoids with high purity, were successfully obtained. The developed method is also helpful for the extraction and isolation of other structural analogs of traditional Chinese medicines.     

Crystallization kinetics of a commercial poly(lactic acid) based on characteristic crystallization time and optimal crystallization temperature

Journal of Thermal Analysis and Calorimetry - A model is proposed to fit differential scanning calorimetry (DSC) isothermal crystallization curves obtained from the molten state at different...     

Structural transition behavior of ZnS nanotetrapods under high pressure

ZnS nanotetrapods synthesized via a solvothermal route have a octahedral core with a zincblende (ZB) structure and four hexprism-shaped arms consisting of alternately stacking ZB and wurtzite (WZ) phases, where the WZ phase has a higher volume percentage. In situ angular-dispersive X-ray diffraction (ADXRD) measurements were carried out to study the structural behavior of ZnS nanotetrapods under high pressure up to 41.3?GPa. The initial WZ structure exhibits a very high mechanical stability to ～11.3?GPa. Both the WZ and ZB structures transform to the rocksalt (RS) structure at ～15.4?GPa. The bulk moduli of the WZ (148.2?±?8.9?GPa) and RS (165.6?±?9.9?GPa) phases are both larger than the previously reported values. These phenomena are discussed based on the alternating epitaxial growth of the WZ and ZB phases in the arms of nanotetrapods. Our study suggests that the internal structure of nanomaterials could also greatly affect their stability and transition behavior.     

基于饱依丁-汤姆逊模型的软岩损伤蠕变模型

为更加准确地描述深部软岩的蠕变全过程,以饱依丁-汤姆逊模型为基础,将损伤变量引入到蠕变方程中,并构造了可描述加速蠕变阶段的模型元件,通过串联得到了新的蠕变模型。结果表明:该模型能够较好地描述软岩的衰减蠕变、稳态蠕变、加速蠕变阶段。用该模型对泥质页岩的蠕变试验结果进行数据拟合对比,结果显示该模型的拟合曲线与实验曲线基本吻合,拟合度为0.99733,能够很好地反映出软岩蠕变的特性,适合用于描述深部软岩的蠕变行为。     

Magnetic Properties of Pt-Based Nanoalloys: A Critical Review

In recent years, magnetic nanoalloys (MNAs) have attracted many attentions from all over the world, due to their potential applications in the broad fields of magneto-optics, data storage, engineering, and biology. Among these MNAs, Pt–M (M = Fe, Co, Ni) MNAs have been considered to be the most promising ones, due to their superparamagnetism and response to a magnetic field. Here, we firstly review the experimental work on the synthesis, characterization, and magnetic properties of Pt–Fe, Pt–Co, and Pt–Ni MNAs. Then, we discuss the recent theoretical work on Pt–Fe, Pt–Co, and Pt–Ni MNAs. Moreover, we also review the main applications of Pt–Fe, Pt–Co, and Pt–Ni MNAs in the fields of biology, information storage, and magnetic separation. It is found that the size, shape, and composition of Pt–Fe, Pt–Co, and Pt–Ni MNAs play a critical role on their fundamental magnetic properties from both the experimental and theoretical points of view. It is expected that this review could be a valuable resource for both experimental and theoretical researchers, who are interested in Pt-based MNAs.     

8-羟基喹啉-7-醛缩酰肼席夫碱的绿色合成及抗肿瘤活性研究

以水为反应介质,微波辐射促进8-羟基-7-喹啉甲醛与取代芳酰肼的缩合反应,制备了15种喹啉酰腙席夫碱化合物。反应在15～30min内完成,收率较高、后处理操作简便。化合物结构经1H NMR、13CNMR、IR和高分辨质谱确证。初步抗肿瘤活性测试结果表明,在20μg/mL浓度下,部分化合物对细胞周期分裂蛋白25B(CDC 25B)抑制率达到90%以上,具有潜在的抗肿瘤活性。     

Mechanism of Gold(I)‐Catalyzed Conia‐ene Reaction of β‐Ketoesters with Alkynes: A DFT Study

Density functional calculations have been performed to comparatively investigate two possible pathways of Au(I)‐catalyzed Conia‐ene reaction of β‐ketoesters with alkynes. Our studies find that, under the assistance of trifluoromethanesulfonate (TfO), the β‐ketoester is the most likely to undergo Model II to isomerize into its enol form, in which TfO plays a proton transfer role through a 6‐membered ring transition state. The coordination of the Au(I) catalyst to the alkynes triple bond can enhance the eletrophilic capability and reaction activity of the alkynes moiety, which triggers the nucleophilic addition of the enol moiety on the alkynes moiety to give a vinyl‐Au intermediate. This cycloisomerizaion step is exothermal by 21.3 kJ/mol with an energy barrier of 56.0 kJ/mol. In the whole catalytic process, the protonation of vinyl‐Au is almost spontaneous, and the formation of enol is a rate‐limiting step. The generation of enol and the activation of Au(I) catalyst on the alkynes are the key reasons why the Conia‐ene reaction can occur in mild condition. These calculations support that Au(I)‐catalyzed Conia‐ene reactions of β‐ketoesters with alkynes go through the pathway 2 proposed by Toste.     

An alternative approach to Privault's discrete-time chaotic calculus

In this paper, we present an alternative approach to Privault's discrete-time chaotic calculus. Let Z be an appropriate stochastic process indexed by N (the set of nonnegative integers) and l²(Γ) the space of square summable functions defined on Γ (the finite power set of N). First we introduce a stochastic integral operator J with respect to Z, which, unlike discrete multiple Wiener integral operators, acts on l²(Γ). And then we show how to define the gradient and divergence by means of the operator J and the combinatorial properties of l²(Γ). We also prove in our setting the main results of the discrete-time chaotic calculus like the Clark formula, the integration by parts formula, etc. Finally we show an application of the gradient and divergence operators to quantum probability.     

Atmospheric reactive plasma sprayed Fe-Al2O3-FeAl2O4 composite coating and its property evaluation

In the present study, Fe-Al₂O₃-FeAl₂O₄ composite coatings were successfully deposited by reactive plasma sprayed Al/Fe₂O₃ agglomerated powder. Phase composition and microstructure of the coatings were determined by XRD and SEM. The results indicated that the composite coatings were principally composed of three different phases, i.e. FeAl₂O₄ phase as main framework, dispersed ball-like Fe-rich phase, and small splats of Al₂O₃ phase, and it was thought that the in situ synthesized metal phase was helpful to toughen the coating matrix. According to the results of the indentation and frictional wear tests, the composite coating exhibited excellent toughness and anti-friction properties in comparison with conventional Al₂O₃ monophase coating, though its microhardness value was a little lower than that of Al₂O₃ coating. The formation mechanism and the toughening mechanism of the composite coating were clarified in detail.