Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

We investigated some properties of the hydride Mg₂FeH₆ substituted with yttrium by a first principles calculation. Some experimental results showed that 4d transition metal, yttrium serves as a good catalyst for magnesium based hydrogen storage alloys, but there are a few theoretical studies about magnesium based hydrides substituted with it. Mg₂FeH₆ is regarded as a cheaper material than pure MgH₂, while it is crystalized into Fm3m structure (space group 225). Although it has high hydrogen storage capacity, many investigations have not been devoted to it due to its extremely high thermodynamic stability. The yttrium substituted Mg₂FeH₆ exhibits very low energy of formation, and its desorption temperature, 75 °C is very suitable for practical hydrogen storage applications. Our results showed that Mg₂FeH₆ is destabilized effectively by yttrium substitution and introducing vacancy defects has additive effect to the improvement of dehydrogenation performance.     

High areal capacitance of FeOOH-carbon nanotube negative electrodes for asymmetric supercapacitors

The relatively low capacitance of negative electrodes, as compared to the capacitance of advanced positive electrodes, poses a serious problem, since this limits the development of asymmetric supercapacitor (SC) devices with a large voltage window and enhanced power-energy characteristics. We fabricate negative SC electrodes with a high capacitance that match the capacitance of advanced positive electrodes at similar active mass loadings, as high as 37?mg?cm^?2. Cyclic voltammetry, impedance spectroscopy, galvanostatic charge-discharge data and the power-energy characteristics of the asymmetric SC device exhibit good electrochemical performance for a voltage window of 1.6?V. Our approach involves the development and application of particle extraction through liquid-liquid interface (PELLI) methods, new extraction mechanisms and efficient extractors to synthesize α-FeOOH and β-FeOOH electrode materials. The use of PELLI allows agglomerate-free processing of powders, which facilitates their efficient mixing with multiwalled carbon nanotubes (MWCNT) and allows improved electrolyte access to the particle surface. Experiments to determine the properties of FeOOH-MWCNT composites provided insight into the influence of the electrode material and the structure of extractor molecules on the composite properties. The highest capacitance of 5.86?F?cm^?2 for negative electrodes and low impedance were achieved using α-FeOOH-MWCNT composites and a 16-phosphonohexadecanoic acid (PHDA) extractor. This extractor allows adsorption on particles, not only at the liquid-liquid interface, but also in the bulk aqueous phase and can potentially be used as a capping agent for particle synthesis and as an extractor in the PELLI method.     

Solid-state phase transformations toward a metal-organic framework of 7-connected Zn4O secondary building units

In the development of metal-organic frameworks (MOFs), secondary building units (SBUs) have been utilized as molecular modules for the construction of nanoporous materials with robust structures. Under solvothermal synthetic conditions, dynamic changes in the metal coordination environments and ligand coordination modes of SBUs determine the resultant product structures. Alternatively, MOF phases with new topologies can also be achieved by post-synthetic treatment of as-synthesized MOFs via the introduction of acidic or basic moieties that cause the simultaneous cleavage/reformation of coordination bonds in the solid state. In this sense, we studied the solid-state transformation of two ndc-based Zn-MOFs (ndc = 1,4-naphthalene dicarboxylate) with different SBUs but the same pcu topology to another MOF with sev topology. One of the chosen MOFs with pcu nets is [Zn₂(ndc)₂(bpy)]_n (bpy = 4,4′-bipyridine), (6C_bpy-MOF) consisting of a 6-connected pillared-paddlewheel SBU, and the other is IRMOF-7 composed of 6-connected Zn₄O(COO)₆ SBUs and ndc. Upon post-structural modification, these pcu MOFs were converted into the same MOF with sev topology constructed from the uncommon 7-connected Zn₄O(COO)₇ SBU (7C-MOF). The appropriate post-synthetic conditions for the transformation of each SBUs were systematically examined. In addition, the effect of the pillar molecules in the pillared-paddlewheel MOFs on the topology conversion was studied in terms of the linker basicity, which determines the inertness during the solid-state phase transformation. This post-synthetic modification approach is expected to expand the available methods for designing and synthesizing MOFs with controlled topologies.

     

Electrical characterization of homoepitaxial diamond p–n junction

Electrical properties of homoepitaxial diamond p–n⁺ junction of boron (B)-doped p-type layer and phosphorus-doped n-type layer on Ib (111) diamond single crystal have been characterized. Current–voltage characteristics show a clear rectifying property with rectification ratio of over 10⁵ at ± 10 V. From capacitance–voltage characteristics, it is found that a spatial distribution of space-charge density N_i of the p–n⁺ junction is not uniform and N_i at a middle region of the space-charge layer formed at zero bias voltage is higher than that of other region of the space-charge layer. This peculiar characteristic can be explained by superposition of two effects; one is the deep dopant effect due to B atoms in the p-type layer, which makes to reduce N_i at around the edge of the space-charge layer formed at zero bias voltage. The other is the compensation of B acceptors by impurity atoms diffusing during the p–n⁺ interface and incorporating during the growth of p-type layer, which makes to reduce N_i at the vicinity of the p–n⁺ interface.     

喷射沉积SiCP/Al复合材料及6066铝合金热挤压工艺的研究

作者应用喷射共沉积工艺制备 6 0 6 6 / Si Cp复合材料和 6 0 6 6铝合金锭坯 ,在不同的挤压比、挤压温度下挤压成　　型 ,用金相显微镜观察材料的显微组织 ,并测试了材料的力学性能。结果表明 :Si C/ Al复合材料喷射沉积状态的组织很疏松 ,存在许多的间隙 ,其密度约为理论密度的 86 % ,Si C颗粒在复合材料中分布不均匀 ,喷射沉积铝合金基体的致密度可达 90 % ;挤压过程使 Al/ Si Cp复合材料的大多数空隙消失 ,致密程度随挤压比的增大而增大 ,挤压比超过 14 .7后不会明显变化 ,而铝合金基体的致密程度与挤压比的变化关系不明显 ;挤压温度对材料的致密程度影响不大 ;Al/ Si Cp复合材料性能在挤压比超过 14 .7后变化不大 ;铝合金的性能不受挤压比变化的影响 ;而挤压温度过高使材料性能下降     

60m高度处单片露天超高混凝土悬臂墙的设计与施工

通过采用竖向预应力技术 ,解决了 60m高度处单片 8m高悬臂钢筋混凝土墙根部裂缝宽度超过规范限值的问题 ;采用将预应力钢绞线顶端锚固于墙高中段等结构和施工措施 ,控制墙体长细比不超过 3 0 ,减少了由于长细比过大对墙体承载力的不利影响     

Structural properties of 0.65Pb(Mg1/3Nb2/3)O3–0.35PbTiO3 relaxor ferroelectric thin films on SrRuO3 conducting oxides

Coating of 0.65Pb(Mg_1/3Nb_2/3)O₃–0.35PbTiO₃ (PMN–PT) relaxor ferroelectrics by a sol–gel method is followed by growth of epitaxial SrRuO₃ (SRO) metallic oxide electrodes on SrTiO₃ (STO) single-crystal substrate by pulsed laser deposition. High-quality PMN–PT films on SRO with preferred growth orientation were successfully fabricated by controlling the operation parameters. Structural properties of relaxor ferroelectric PMN–PT thin films on SRO/STO substrates have been studied by X-ray diffraction (XRD), transmission electron microscopy (TEM) and atomic force microscopy (AFM). In-plane and out-of-plane alignments of the heterostructure are confirmed and the structural twinning of the materials are also revealed.     

碱土金属氧化物催化氧化异丙苯反应研究

考察了碱土金属氧化物CaO、MgO和SrO在催化氧化异丙苯合成过氧化氢异丙苯 (CHP)反应中的性能。3种催化剂的活性顺序为 :CaO >MgO >SrO。采用Hammett指示剂分别表征了碱土金属氧化物的碱强度。碱强度H-=15 0～ 18 4的碱性中心有利于异丙苯过氧化合成CHP反应。采用红外光谱分析了异丙苯在MgO、CaO催化剂表面的吸附态。异丙苯通过异丙基叔碳原子上的氢原子与CaO催化剂表面碱中心发生化学吸附 ,弱化了异丙基叔碳原子上的C—H键 ,从而有利于催化异丙苯氧化合成CHP的反应。MgO与异丙苯的异丙基叔碳上的氢原子的相互作用弱于CaO与异丙苯的异丙基叔碳上的氢原子的相互作用 ,使MgO催化异丙苯氧化的反应活性低于CaO催化异丙苯氧化的反应活性