Hydrogenolysis of alkanes and olefin polymerization on the silica-supported zirconium hydrides: A comparative DFT study

The model reactions of ethylene polymerization and hydrogenolysis of linear alkanes (propane, n-butane, and n-pentane) on the silica-supported zirconium hydrides (Si–O)₃Zr^IVH, (Si–O)₂Zr^IVH₂, and (Si–O)₂Zr^IIIH were studied using the DFT approach. Catalytic processes under study were shown to occur involving different surface hydrides. The ethylene polymerization was found to proceed at comparable rates on the zirconium monohydrides, (Si–O)₃ZrH, and dihydrides, (Si–O)₂ZrH₂. Cleavage of linear alkanes on the monohydrides (Si–O)₃ZrH is thermodynamically unfavorable; however, the dihydrides (Si–O)₂ZrH₂ can act as catalysts of the process under mild conditions. Hydrides of the trivalent zirconium, (Si–O)₂Zr^IIIH, can also contribute to the hydrogenolysis reaction. A feature of all the systems studied is low regioselectivity of the corresponding processes.     

3,3,′4,4′-偶氮苯四甲酸配合物的合成、结构与表征

合成了3,3,′4,4′-偶氮苯四甲酸（H4L）及锰的配合物[Mn2L（H2O）10].4H2O,并用元素分析、荧光光谱、XRD粉末衍射和单晶衍射仪对它们进行了表征。研究结果表明化合物H4L.2H2O通过O-H…O氢键的作用构成2D的网络结构;配合物[Mn2L（H2O）10].4H2O中心锰离子为六配位,其中溶剂分子水和配体L均参与配位,分子间通过O-H…O氢键构成了1D的Z字链结构,而1D链之间通过O-H…O和O-H…N形成2D的网络结构。配合物具有很好的荧光特性。     

纳米管合成研究进展

当今纳米科学技术飞速发展，其中纳米管已构成了纳米材料的一个非常重要的类别。本文介绍近几年来由化学键结合的纳米管以及由分子间力形成的一些纳米或具有中观尺度的管状结构材料的合成研究进展。     

A Novel Inorganic Polymer as Cathode Material for Secondary Lithium Batteries

Summary: This paper introduces a new inorganic poly(phosphazene disulfide) material. With unique element composition and molecular structure, the polymer has noncombustible safety and preferable conductivity. When used as cathode material for rechargeable lithium batteries, the polymer's first discharge capacity is as high as 467.9 mAh · g^?1, which can be retained at 409.9 mAh · g^?1 after 60 repeated cycles. Therefore, it has a great application potential in the field of lithium batteries.

Replacement of the Cl atoms by S? S groups by refluxing Na₂S₂ and linear poly(dichloro‐phosphazene).     

凝胶法制备Cu-BTC块体及其吸附脱除二甲基二硫醚性能

金属有机骨架材料Cu-BTC具有高孔隙率、易调控的骨架结构以及含过渡金属等特点,是吸附脱除硫化物的优异材料。采用凝胶法在常温条件下制备块状样品Cu-BTC-g,并通过X射线衍射(XRD)、扫描电子显微镜(SEM)、红外光谱(FT-IR)、拉曼光谱(Raman)、X射线光电子能谱(XPS)、N₂吸附-脱附等手段对其进行分析表征,同时测定Cu-BTC-g样品对模型硫化物二甲基二硫醚(DMDS)的静态吸附容量、吸附热力学和动力学特性。结果表明：凝胶法制备的Cu-BTC-g样品晶体平均尺寸约为0.2μm、比表面积为901 m²/g、孔体积为0.40 cm³/g,晶体尺寸、比表面积和孔体积均小于溶剂热法合成的样品Cu-BTC-s;在吸附温度298 K下,Cu-BTC-g样品的DMDS吸附容量为110.8 mg/g,比Cu-BTC-s样品提高12%。     

Infrared thermography for inspecting the adhesion integrity of plastic welded joints

This work aim at developing a non-destructive tool for the evaluation of bonded plastic joints. The paper examines infrared thermographic transmission and reflection mode imaging and validates the feasibility of the thermal NDT approach for this application. Results demonstrate good estimation performance for adhesion integrity, uniformity and bond strength using a transmission mode application of infrared thermography. In addition, results from a pulsed infrared thermographic application using a modified dynamic infrared tomography scheme show good performance for estimating adhesion layer thickness mapping and detecting delaminations.     

MoS2/C纳米复合材料的合成及其电化学性能研究

理论比能量高达2 600 Wh/kg的锂硫电池已经成为锂电池研究热点,然而硫导电性不好、穿梭效应和锂化体积效应较大等问题阻碍了锂硫电池的产业化。将无定型多孔碳材料的高导电性和极性MoS₂的固硫作用相结合改善锂硫电池的电化学性能。所得的S@MoS₂/C在0.05 C和2 C电流密度下的放电比容量分别为1 507和406.3 mAh/g,比S@MoS₂在相同电流密度下的放电比容量（1 400和345.7 mAh/g）更高。在循环性能测试中,S@MoS₂/C容量保持率为46.9%,要高于S@MoS₂（39.1%）。因此,MoS₂/C复合材料作为硫载体可以显著改善锂硫电池性能。     

Simultaneous Imaging of Endogenous Survivin mRNA and On‐Demand Drug Release in Live Cells by Using a Mesoporous Silica Nanoquencher

The design of multifunctional drug delivery systems capable of simultaneous target detection, imaging, and therapeutics in live mammalian cells is critical for biomedical research. In this study, by using mesoporous silica nanoparticles (MSNs) chemically modified with a small‐molecule dark quencher, followed by sequential drug encapsulation, MSN capping with a dye‐labeled antisense oligonucleotide, and bioorthogonal surface modification with cell‐penetrating poly(disulfide)s, the authors have successfully developed the first mesoporous silica nanoquencher (qMSN), characterized by high drug‐loading and endocytosis‐independent cell uptake, which is able to quantitatively image endogenous survivin mRNA and release the loaded drug in a manner that depends on the survivin expression level in tumor cells. The authors further show that this novel drug delivery system may be used to minimize potential cytotoxicity encountered by many existing small‐molecule drugs in cancer therapy.     

Reprogrammable Assembly of Molecular Motor on Solid Surfaces via Dynamic Bonds

Controllable assembly of molecular motors on solid surfaces is a fundamental issue for providing them to perform physical tasks. However, it can hardly be achieved by most previous methods due to their inherent limitations. Here, a general strategy is designed for the reprogrammable assembly of molecular motors on solid surfaces based on dynamic bonds. In this method, molecular motors with disulfide bonds can be remotely, reversibly, and precisely attached to solid surfaces with disulfide bonds, regardless of their chemical composition and microstructure. More importantly, it not only allows encoding geometric information referring to a pattern of molecular motors, but also enables erasing and re‐encoding of geometric information via hemolytic photocleavage and recombination of disulfide bonds. Thus, solid surfaces can be regarded as “computer hardware”, where molecular motors can be reformatted and reprogramed as geometric information.     

Synthesis of large-scale atomic-layer SnS<Subscript>2</Subscript> through chemical vapor deposition

Two-dimensional layers of metal dichalcogenides have attracted much attention because of their ultrathin thickness and potential applications in electronics and optoelectronics.Monolayer SnS2,with a band gap of ～2.6 eV,has an octahedral lattice made of two atomic layers of sulfur and one atomic layer of tin.Till date,there have been limited reports on the growth of large-scale and high quality SnS2 atomic layers and the investigation of their properties as a semiconductor.Here,we report the chemical vapor deposition (CVD) growth of atomic-layer SnS2 with a large crystal size and uniformity.In addition,the number of layers can be changed from a monolayer to few layers and to bulk by changing the growth time.Scanning transmission electron microscopy was used to analyze the atomic structure and demonstrate the 2H stacking poly-type of different layers.The resultant SnS2 crystals is used as a photodetector with external quantum efficiency as high as 150％,suggesting promise for optoelectronic applications.