First principles investigations of Fe,Co, Ni in model honeycomb carbon networks

The behaviors of ferromagnetic transition metals of the first period: Fe, Co and Ni are examined within density functional theory calculations in two dimensional carbon extended networks using model structure LiC₆. Around geometry optimized structures, the energy-volume equations of states considering non magnetic and spin polarized configurations established ferromagnetic ground states with magnetizations –reduced with respect to the metals’– of 2 μ_B for FeC₆ and 1 μ_B for CoC₆ while no magnetic solution could be identified for NiC₆. In the D_6h point group of the P6/mmm space group l_m decomposition of the d states results with increasing energy into doublet state E_1g with d(x²-y²) and d(xy); singlet state A_1g d(z²) and doublet state E_2g d(xz) and d(yz) lying on E_F and responsible of the onset of magnetic moments. This was mirrored via molecular orbital approach with a construct of Fe embedded between two extended carbon networks thus validating the model structure proposed for TC₆ compounds. The 100% polarization in one spin channel allows proposing potential uses in spintronics applications.     

Design and Fabrication of Composite Smart Structures with High Electric and Mechanical Performances for Future Mobile Communication

In this paper, we have developed a load-bearing outer skin for antennas, which is termed a composite smart structure (CSS). The CSS is a multilayer composite sandwich structure in which antenna layers are inserted. A direct-feed stacked patch antenna is considered. A design procedure including the structure design, material selection, and design of antenna elements in order to obtain high electric and mechanical performances is presented. An optimized honeycomb thickness is selected for efficient radiation and impedance characteristics. High gain conditions can be obtained by placing the outer facesheet in the resonance position, which is at about a half wavelength distance from the ground plane. The measured electrical performances show that the CSS has a great bandwidth (over 10%) and a higher gain than an antenna without a facesheet and has excellent mechanical performances, owing to the composite laminates and honeycomb cores. The CSS concept can be extended to give a useful guide for manufacturers of structural body panels and for antenna designers.     

Preparation and characterization of mesoporous silica thin films from polyethoxysiloxanes

Tetraethoxysilane (TEOS) and polyethoxysiloxanes (PEOSs; prepared by the acid‐catalyzed hydrolytic polycondensation of TEOS) were subjected to the sol–gel process in the presence of cetyltrimethylammonium bromide (CTAB), respectively. The PEOSs with M_w 700–26,000, as prepared by sol–gel coating of TEOS and PEOS under various conditions, were used. Uniform and crack‐free thin films of thickness 276–613 nm were prepared by spin‐coating of a PEOS solution containing CTAB. When the coating films were sintered at 400 °C, the combustion of ethoxy groups and CTAB took place to provide porous silica thin films. The structure of the thin films was found to be dependent on the molecular weight of PEOS and the molar ratio of CTAB/Si: lamellar or hexagonal phase was observed for M_w less than 15,000 and for CTAB/Si molar ratios greater than 0.10. Honeycomb structures were observed for M_w less than 5000 and for CTAB/Si molar ratios of 0.15. The honeycomb structure was also observed by atomic force microscopy and transmission electron microscope. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 2542–2550, 2006     

Synthesis and Crystal Structure of a New 2D Honeycomb-like Cadmium(II) Complex with Tripodal Ligand

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金属载体催化剂的涂层研究

在高温氧化处理不同时间的金属载体箔片上涂覆MgAl2O4/Al2O3过渡涂层,利用TG-DSC,XRD,SEM,BET和超声振动等分析测试技术,对载体和涂层的微观结构与表面特性进行研究.结果表明,在950 ℃下高温氧化5 h,箔片表面生成板状Al2O3晶须,有利于增强涂层与箔片的附着力.在载体表面涂覆一层MgAl2O4/Al2O3过渡涂层,有助于提高活性组分与金属载体的结合力,可以获得高结合强度的涂层结构,促使活性元素高度分散.     

梯度蜂窝面外动态压缩力学行为与吸能特性研究

蜂窝材料具有优异的抗冲击吸能特性.为进一步提高蜂窝材料的比吸能与压缩力效率,提出了一种几何参数或材料参数沿厚度方向梯度渐变的蜂窝材料模型,并针对六边形蜂窝构型研究了胞元壁厚和屈服强度梯度变化的蜂窝材料在面外动态压缩载荷下的力学行为与吸能特性.研究结果表明,通过调控梯度变化的指数,胞元壁厚或母体材料屈服强度的梯度设计均可有效降低初始峰值应力,并使蜂窝材料的比吸能和压缩力效率同时增大.研究结果可为蜂窝材料的防撞性优化设计提供新的思路.     

蜂窝夹层板撞击极限方程预测能力的提升

蜂窝夹层板撞击极限方程是空间碎片撞击航天器风险评估的关键技术,目前描述其预测能力的指标主要有总体、安全预测正确率和绝对、相对误差。基于131个蜂窝夹层板的实验数据,分别描述各个预测指标在方程系数空间的变化特征,并采用层次化思路进行方程预测指标提升的探讨。结果发现,进行方程优化时,预测概率型指标可精确优化,而预测误差型指标可快速优化;总体预测正确率作为首要预测指标可优先用于研究航天器的在轨防护特性,而安全预测正确率作为首要指标则可优先用于其设计安全性。

     

Photonic Floquet topological insulators in atomic ensembles

The feasibility of realizing a photonic Floquet topological insulator (PFTI) in an atomic ensemble is demonstrated. The interference of three coupling fields will split energy levels periodically, to form a periodic refractive index structure with honeycomb profile that can be adjusted by different frequency detunings and intensities of the coupling fields. This in turn will affect the appearance of Dirac cones in momentum space. When the honeycomb lattice sites are helically ordered along the propagation direction, gaps open at Dirac points, and one obtains a PFTI in an atomic vapor. An obliquely incident beam will be able to move along the zigzag edge of the lattice without scattering energy into the PFTI, due to the confinement of edge states. The appearance of Dirac cones and the formation of a photonic Floquet topological insulator can be shut down by the third‐order nonlinear susceptibility and opened up by the fifth‐order one.

     

Slow Relaxation of the Magnetization in Anilato-Based Dy(III) 2D Lattices

The search for two- and three-dimensional materials with slow relaxation of the magnetization (single-ion magnets, SIM and single-molecule magnets, SMM) has become a very active area in recent years. Here we show how it is possible to prepare two-dimensional SIMs by combining Dy(III) with two different anilato-type ligands (dianions of the 3,6-disubstituted-2,5-dihydroxy-1,4-benzoquinone: C₆O₄X₂²⁻, with X = H and Cl) in dimethyl sulfoxide (dmso). The two compounds prepared, formulated as: [Dy₂(C₆O₄H₂)₃(dmso)₂(H₂O)₂]·2dmso·18H₂O (1) and [Dy₂(C₆O₄Cl₂)₃(dmso)₄]·2dmso·2H₂O (2) show distorted hexagonal honeycomb layers with the solvent molecules (dmso and H₂O) located in the interlayer space and in the hexagonal channels that run perpendicular to the layers. The magnetic measurements of compounds 1, 2 and [Dy₂(C₆O₄(CN)Cl)₃(dmso)₆] (3), a recently reported related compound, show that the three compounds present slow relaxation of the magnetization. In compound 1 the SIM behaviour does not need the application of a DC field whereas 2 and 3 are field-induced SIM (FI-SIM) since they show slow relaxation of the magnetization when a DC field is applied. We discuss the differences observed in the crystal structures and magnetic properties based on the X group of the anilato ligands (H, Cl and Cl/CN) in 1–3 and in the recently reported derivative [Dy₂(C₆O₄Br₂)₃(dmso)₄]·2dmso·2H₂O (4) with X = Br, that is also a FI-SIM.     

SiO2-Al2O3玻纤载体负载CuO-CeO2对挥发性有机化合物催化燃烧性能研究

采用等体积共浸渍法制备了CuO-CeO₂整体式催化剂,评价了催化剂对乙酸乙酯、异丙醇及甲苯的催化燃烧性能。采用N₂吸附-脱附、X射线衍射（XRD）、氢气程序升温还原（H₂-TPR）、氨气程序升温脱附（NH₃-TPD）以及挥发性有机化合物脱附等手段对催化剂进行了表征。表征数据显示,氧化铜以高分散态均匀分散存在于载体表面,氧化铈则是小的纳米颗粒,氧化铈颗粒粒径随着Cu/Ce物质的量比的减小而增大。添加铈氧化物会显著增加总酸量,特别是路易斯酸酸位的量,同时增强了乙酸乙酯和异丙醇的吸附量,吸附量的增加提高了催化剂对乙酸乙酯和异丙醇的催化燃烧性能。从甲苯的催化燃烧实验可以看出,大量添加CeO₂稍微增加了甲苯的吸附容量,减弱了催化剂的还原性、降低了活性氧的含量,最终导致甲苯的低转化率。催化行为由氧化铜、氧化铈以及载体三者之间的共同作用决定,这三者的协同作用不仅影响着表面氧的活性同时影响着催化剂对甲苯的吸附能力。