Near-zero Poisson's ratio and suppressed mechanical anisotropy in strained black phosphorene/SnSe van der Waals heterostructure: a first-principles study

Black phosphorene (BP) and its analogs have attracted intensive attention due to their unique puckered structures, anisotropic characteristics, and negative Poisson's ratio. The van der Waals (vdW) heterostructures assembly by stacking different materials show novel physical properties, however, the parent materials do not possess. In this work, the first-principles calculations are performed to study the mechanical properties of the vdW heterostructure. Interestingly, a near-zero Poisson's ratio v_zx is found in BP/SnSe heterostructure. In addition, compared with the parent materials BP and SnSe with strong in-plane anisotropic mechanical properties, the BP/SnSe heterostructure shows strongly suppressed anisotropy. The results show that the vdW heterostructure has quite different mechanical properties compared with the parent materials, and provides new opportunities for the mechanical applications of the heterostructures.     

基于DFT和分子连接性指数方法研究醇类化合物的水溶解度和分配系数

将DFT方法计算得到的量化参数和分子连接性指数联合应用到60个醇类化合物的溶解度和辛醇/水分配系数的QSPR研究中,分别通过逐步回归得到具有显著统计意义的4个参数和5个参数的QSPR方程.以此4个参数和5个参数分别作为输入参数,采用BPNN,RBFNN方法建立了QSPR预测模型,使用Latin-partition交叉验证方法评价模型的预测能力.BPNN,RBFNN模型对溶解度预测的相关系数分别为0.993和0.994,而对辛醇/水分配系数预测的相关系数分别0.990和0.997,结果令人满意.     

微波辅助萃取法/高效液相色谱-串联质谱法对减肥保健食品中非法添加药物奥利司他的测定

建立了测定减肥保健食品中非法添加药物奥利司他的高效液相色谱-串联质谱分析方法.减肥保健食品经微波辅助萃取后,经Waters Atlantis T3柱(3 μm,150 mm×2.1 mm)分离,采用多反应监测正离子模式检测,定性离子对为m/z 496.3＞319.2、m/z 496.3＞160.0,定量离子对为m/z 496.3＞160.0.结果表明,奥利司他的仪器检出限为0.2 μg/L;在0.2 ～500 μg/L范围内呈良好的线性关系,相关系数为0.999 7.在低、中、高3个添加水平范围内的平均回收率为86% ～104%;日内精密度均小于6%,日间精密度均小于8%.方法分析速度快、灵敏度高、重复性好,可用于不同减肥保健食品中非法添加奥利司他的快速检测.     

ZnSe(ZnS)纳米晶与MEH-PPV的共掺有机电致发光器件

采用水相法合成核壳结构ZnSe/ZnS 纳米晶,经X射线衍射(XRD)分析和透射电子显微镜(TEM)表征,证实所制备的样品为立方晶型闪锌矿结构ZnSe/ZnS量子点。按照一定的质量比将ZnSe/ZnS 纳米晶和有机聚合物MEH-PPV(poly ) 共掺并将其作为发光层,分别制备单层和多层有机电致发光器件,结构为ITO/MEH-PPV∶ZnSe(ZnS)(50 nm)/Al和 ITO/PEDOT∶PSS(70 nm)/ MEH-PPV∶ZnSe(ZnS)(50 nm)/BCP(15 nm)/Alq₃(12 nm) /LiF(0.5 nm)/Al。实验结果表明,多层发光器件的发光特性与单层器件不同,工作电压的增大使其发光峰发生了明显的蓝移。     

基于分析型KANO模型的物流服务质量提升决策方法

针对Kano模型定性、分类准则主观的局限,提出一种分析型Kano模型的设计方法,通过构建Kano满意度指标和重要度指标,实现质量因素的客观化分类;设计Kano模型决策指标,获取提升服务质量属性的优先权。在分析基于分析型Kano模型的物流服务质量提升决策过程的基础上,从实证视角研究了模型的具体应用问题。     

细菌聚γ-谷氨酸溶液流变性能的研究

用分散聚合法制备了苯乙烯 甲基丙烯酸甲酯微米级单分散共聚物微球 ,粒径为 5 4 μm .将分散聚合体系与乳液聚合体系进行了比较 ,并对共聚物微球的形貌、粒径分布及共聚情况进行了表征研究     

Effect of pH on the Hydrothermal Synthesis of BN Nanocrystals

Boron nitride (BN) has been synthesized using hydrothermal synthesis method. The experimental results showed that the pH value of the reaction solution has an important effect on the yield and phases of BN samples. As the pH value decreased, the content of cBN increased and the yield improved. The increase in cBN content is resulted from the conversion of oBN into cBN under hydrothermal condition, and the growth of cBN nanocrystals may due to the decrease in the reaction speed, thus the crystalline perfection of BN improved when the pH value decreased.     

基于ARM的光纤光栅传感信号解调系统的研究

提出了一种以ARM芯片S3C44B0X为核心,采用可调谐光纤F-P滤波器的光纤光栅解调方案。详细介绍了解调原理、系统的软硬件设计以及相关信号的数据处理。实验结果显示设计的系统灵敏度高、解调速度快、成本较低。     

Influence of Annealing on Properties of ZnO Films Grown via Plasma－enhanced MOCVD

The structural and the optical properties of ZnO films with high quality grown via plasma-enhanced met-al-organic chemical vapour deposition(MOCVD) on C-plane sapphire substrate were studied. The crystallini-ty and the optical properties of the films are greatly improved having been annealed in oxygen plasma atmo-sphere. The structure, the band gap and the binding energy of O1s electrons, and the molar ratio of O to Zn were determined by X-ray diffraction (XRD), photoluminescence (PL) and X-ray photoelectron scan meth-ods. For both the annealed and the as-grown films, the exciton peak features were observed at room temper-ature. The band-edge photolof the annealed film is much stronger than that of the as-grown film, and the exciton peak relating to the deep level at 439 nm disappears. The molar ratio of O to Zn in the annealed film is 0. 91, while it is 0. 78 for the as-urown film.     

Crystallographic Texture and Domain Structure of Nd3:8Dy0:7Pr3:5Fe86Nb1B5 Nanocomposite Prepared by Direct Rapid Solidification

"Strong crystallographic texture and high performance of Nd3:8Dy0:7Pr3:5Fe86Nb1B5 (containing 30% ff-Fe) nanocomposite permanent magnetic material was prepared by direct rapid solidification. X-ray diffraction analysis and magnetic measurement indicated that the ribbons had preferential orientation. The easy magnetization direction switched from perpendicular to the ribbon plane to parallel to the ribbon plane direction as the wheel speed increased from 10 m/s to 30 m/s. The multigrain domains were observed by scan probe microscope (SPM) in the ribbons prepared at wheel speed of 10-30 m/s. The Henkel plots were employed to investigate the interactions of the grains in the samples. A very fine and uniform microstructure with the average grain size about 16 nm was obtained in the sample prepared at wheel speed of 30 m/s. The sample consisted of highly oriented hard magnetic phase (Nd,Dy,Pr)2(Fe,Nb)14B and soft magnetic phase ff-Fe. High performance of Br=1.29 T, Mr/Ms= 0.76 and (BH)max=158.4 kJ/m3 was achieved due to the strong crystallographic texture, fine and homogeneous microstructure and enhancement of the exchange coupling between the soft and hard magnetic phases in this sample. The mechanism of the formation of the crystallographic texture and the multigrain domains was also discussed."