Effect of Intercalated LiF on Interface Contact Characteristics of MoS2 Field Effect Transistor: A First-Principles Study

Based on the first-principles calculation, the effect of intercalated LiF on the contact characteristics of the interface between Au electrode and MoS₂ layer is studied. It is found that adding LiF film can change the contact type between metal electrode Au and MoS₂ layer from Schottky contact to ohmic contact, which is accompanied by interfacial charge transfer from LiF layer to MoS₂ layer and the downward movement of d (d_xy and d_z2) orbital of Mo atom and p (p_x and p_y) orbital of S atom to Fermi level. And the interlayer spacing between LiF layer and Au electrode has a great impact on the interface contact characteristics. The electric field effect and stress effect of interface contact of Au, LiF and MoS₂ (Au/LiF/MoS₂)is more obvious than that of interface contact of Au and MoS₂ (Au/MoS₂). Au/LiF/MoS₂ shows ohmic contact with the interlayer spacing between Au layer and LiF layer less than 3.05 Å and with the electric field less than 0.15 VÅ⁻¹, respectively, while Au/MoS₂ still shows N-type Schottky contact. These findings are helpful to control the contact resistance and have guiding significance for high performance MoS₂ field effect transistor and other electronic components.     

基于自适应BP神经网络的结构损伤检测

描述基于人工神经网络的结构损伤检测的基本步骤以及该方法在实际5层钢框架结构损伤检测上的应用．提出了一种改进的BP神经网络方法，它能够解决传统BP神经网络在实际应用中存在的两个问题：收敛速度慢并存在局部极小．其基本思想是引入动态自适应算子加速传统BP算法的梯度下降速度，从而提高运算速度，通过自调节保证学习过程中每一时刻具有较大的sigmoid函数值，从而可以避免局部极小．数值仿真结果表明基于该自适应神经网络的结构损伤检测方法具有强的鲁棒性，而且与传统的BP神经网络相比，不仅提高了计算速度，并且具有很高的精度．最后，实例的应用也证明了该方法的有效性．     

PVDF压电薄膜在应力波测量中的应用

综合介绍了PVDF压力传感器的测试原理、动态标定实验，并采用定制的PVDF压力传感器测量了不同类型分层介质在冲击载荷作用下的压力衰减，说明了PVDF压力传感器在压力测量中有着很好的前景．     

First-principles investigation of A-B intersite charge transfer and correlated electrical and magnetic properties in BiCu3Fe4O12

First-principles calculations using the augmented plane wave plus local orbitals method, as implemented in the WIEN2K code, have been carried out to study the A-B intersite charge transfer and the correlated electrical and magnetic properties of the perovskite BiCu(3)Fe(4)O(12), especially as regards the charge transfer. The results indicate that the charge transfer between A-site Cu and B-site Fe is by way of O 2p orbitals, and during this process orbital hybridization plays an important role. More importantly, the charge transfer is of 3d(9) + 4d(5)L(0.75) →3d(9)L + 4d(5) type (here L denotes an oxygen hole or a ligand hole). During this process, the magnetic interaction experiences a transition from Cu-Fe ferrimagnetic coupling to G-type antiferromagnetic coupling within B-site Fe with paramagnetic Cu(3+). As to electrical property, it undergoes a metal to insulator transition. All our calculated results are consistent with the available experimental results.     

气相色谱-串联质谱法测定茶叶中88种农药残留量

采用气相色谱-串联质谱(GC-MS/MS)分析技术,建立了高灵敏度检测茶叶中88种农药残留量的方法。目标化合物经加速溶剂萃取(ASE), Carb/NH2净化小柱净化,乙腈-甲苯(3:1, v/v)洗脱,采用GC-MS/MS测定。对方法的准确性、精密度、线性范围、最低检出限(LOD)和定量限(LOQ)进行了测试。其中87.5%的农药在低水平(6.4 μg/kg)的加标回收率为70%～100%; 87.5%的农药的相对标准偏差(RSD)小于15%。每个化合物均采用灵敏度最高的离子对进行定量,并采用空白茶叶基质配制标准工作液。LOQ以10倍信噪比(S/N=10)计算,86.4%农药的LOQ值低于10 μg/kg。该方法灵敏度高、准确、可靠,适用于绿茶、乌龙茶、红茶以及普洱茶中多种农药残留量的检测。     

Characterization of currently marketed heparin products: key tests for quality assurance

During the 2007–2008 heparin crisis, it was found that the United States Pharmacopeia (USP) testing monograph for unfractionated heparin sodium (UFH) did not detect the presence of the contaminant, oversulfated chondroitin sulfate (OSCS) in heparin. In response to this concern, new tests and specifications were developed by the Food and Drug Administration (FDA) and USP and put in place to not only detect the contaminant OSCS but also to improve assurance of quality and purity of the drug product. Additional tests were also developed to monitor the heparin supply chain for other possible economically motivated additives or impurities. In 2009, a new USP monograph was put in place that includes 500 MHz ¹H NMR, SAX-HPLC, %galactosamine in total hexosamine, and anticoagulation time assays with purified factor IIa or factor Xa. These tests represent orthogonal approaches for UFH identification, measurement of bioactivity, and for detection of process impurities or contaminants in UFH. The FDA has applied these analytical approaches to the study of UFH active pharmaceutical ingredients in the marketplace. Here, we describe results from a comprehensive survey of UFH collected from seven different sources after the 2009 monograph revision and compare these data with results obtained on other heparin samples collected during the 2007–2008 crisis.     

Preparation and characterization of zwitterionic surfactant-modified montmorillonites

A series of zwitterionic surfactant-modified montmorillonites (ZSMMs) were synthesized using montmorillonite and three zwitterionic surfactants with different alkyl chain lengths at different concentrations [0.2-4.0 cation exchange capacity (CEC)]. These ZSMMs were characterized by X-ray diffraction (XRD), thermo-gravimetric analysis and differential thermo-gravimetric (TG/DTG) analyses. The zwitterionic surfactant could be intercalated into the interlayer spaces of montmorillonites and causing interlayer space-swelling. From XRD measurements, the amount of the surfactants loaded and the basal spacing increased with surfactant concentration and alkyl chain length. One endothermic DTG peak occurred at ~390 °C, which was assigned to the decomposition of the zwitterionic surfactant on the organo-montmorillonites from 0.2 to 0.6 CEC. When the surfactant loading was increased, a new endothermic peak appeared at ~340 °C. From the microstructures of these ZSMMs, the mechanism of zwitterionic surfactant adsorption was proposed. At relatively low loadings of the zwitterionic surfactant, most of surfactants enter the spacing by an ion-exchange mechanism and are adsorbed onto the interlayer cation sites. When the concentration of the zwitterionic surfactant exceeds the CEC of montmorillonite, the surfactant molecules then adhere to the surface-adsorbed surfactant. Some surfactants enter the interlayers, whereas the others are attached to the clay surface. When the concentration of surfactant increases further beyond 2.0 CEC, the surfactants may occupy the inter-particle space within the house-of-cards aggregate structure.     

The properties of phenyl cyclohexyl ferroelectric liquid crystals

To continue the search for novel series of ferroelectric liquid crystals, an additional two series of compounds, C S(+)-4-[(2-methylbutyl)phenyl]4'-trans-n-alkylcyclohexyl) benzoates and D S(+)-4-[(4-methylhexanoyl)phenyl]4'(4'-trans-n-alkylcyclohexyl) benzoates, where alkyl = C₅-C₆ are reported in this paper. Their mesomorphic properties have been characterized by optical textural observations and DSC. Some of these compounds show a C-S*_C-S_A-N*-I phase transition sequence. The effects of the alkyl chains on transition temperatures and optically active terminal groups on phase behaviour are discussed.     

超高光束质量研究

提出了边界波具有π跃变性质的假说，作为惠更斯—菲涅耳原理的补充。根据该假说，在腔外和腔内实现了一系列新光束。重要的是，实现了等效光束质量因子小于１的新光束ＣＯ２激光器。这可看作是可控非线性自聚焦的结果。