Anharmonicity in aluminum hydride at high pressures

Aluminum hydride has been predicted to be a superconductor with a transition temperature of 24 K at 110 GPa, in disagreement with the experimental observation. In this work, it is shown that the bulk of the electron–phonon coupling can be associated with modes that are highly anharmonic according to frozen phonon calculations. This large anharmonicity could partially explain the origin of the disagreement between previous predictions and experiments.     

Hydrothermal synthesis of spinel Li1+x Mn2O4 as cathode material for rechargeable lithium battery

Abstract

The hydrothermal synthesis of Li-Mn spinel oxide (Li_1+xMn₂O₄) was undertaken in order to develop high quality, low cost cathode material for a rechargeable lithium battery. In our experiments, γ-MnOOH, LiOH · H₂O and H₂O₂ were used as starting materials to synthesize Li-Mn spinel oxide under hydrothermal conditions of 180-230°C and about 1.0-2.8 MPa. The chemical composition and particle size of the Li_1+xMn₂O₄ is easily controlled in the hydrothermal reaction. The Li_1+xMn₂O₄ produced was characterized by X-ray diffraction, with the spinel phase having a Li/Mn ratio of 0.50-0.60. There is convincing evidence, as a result of this work, that our synthesis process is most suitable for producing high quality cathode material that can be used in a rechargeable lithium battery.     

Pressure-Induced Crossover From Two- to Three-Dimensional Magnetic Correlations in La 1.4 Sr 1.6 Mn 2 O 7 Manganite

Magnetic pressure-temperature phase diagram of La 1.4 Sr 1.6 Mn 2 O 7 layered manganese oxide has been studied by neutron diffraction. Three phases have been found in this compound at ambient pressure: high-temperature phase with quasi two-dimensional correlations of the magnetic moments on Mn sites and two low-temperature phases with long-range order - antiferromagnetic and ferromagnetic. Under hydrostatic pressure the antiferromagnetic phase is favoured with respect to the two-dimensional and long-range ferromagnetic phases. The magnetic phase with two-dimensional correlations is thus suppressed by the antiferromagnetic phase with long-range order. We discuss this result in terms of the pressure-induced electron transfer and compare our conclusions with predictions given by theoretical calculations.     

氢化物气相外延生长高质量GaN膜生长参数优化研究

系统研究了低温成核层生长时间、高温生长时的V/Ⅲ 比以及生长温度对氢化物气相外延生长GaN膜晶体质量的影响. 研究发现合适的低温成核层为后续高温生长提供成核中心, 并能有效降低外延膜与衬底间的界面自由能, 促进成核岛的横向生长; 优化的V/Ⅲ比和最佳生长温度有利于降低晶体缺陷密度, 促进横向生长, 增强外延膜的二维生长. 利用扫描电子显微镜、原子力显微镜、高分辨X射线衍射、 低温光致发光谱和室温拉曼光谱对优化条件下生长的GaN外延膜进行了结构和光电特性表征. 测试结果表明, 膜表面平整光滑, 呈现二维生长模式表面形貌; (002)和(102)面摇摆曲线半高宽分别为317和343 arcsec; 低温光致发光谱中近带边发射峰为3.478 eV附近的中性施主束缚激子发射峰, 存在11 meV的蓝移, 半高宽为10 meV, 并且黄带发光强度很弱;常温拉曼光谱中E₂ (high) 峰发生1.1 cm^-1蓝移.结果表明, 优化条件下生长的GaN外延膜具有良好的晶体质量和光电特性, 但GaN 膜中存在压应力. 关键词： 氮化镓 氢化物气相外延 低温成核层     

Electrochemical properties of Mn-doped activated carbon aerogel as electrode material for supercapacitor

Carbon aerogel (CA) was prepared by a sol-gel polymerization of resorcinol and formaldehyde, and it was activated with KOH to obtain activated carbon aerogel (ACA). Specific capacitance of carbon aerogel and activated carbon aerogel was measured by cyclic voltammetry and galvanostatic charge/discharge methods in 6 M KOH electrolyte. Activated carbon aerogel showed higher specific capacitance than carbon aerogel (136 F/g vs. 90 F/g). In order to combine excellent electrochemical performance of activated carbon aerogel with pseudocapacitive property of manganese oxide, 7 wt% manganese oxide was doped on activated carbon aerogel by an incipient wetness impregnation method. For comparison, 7 wt% manganese oxide was also doped on carbon aerogel by an incipient wetness impregnation method. It was revealed that 7 wt% Mn-doped activated carbon aerogel (Mn/ACA) showed higher specific capacitance than 7 wt% Mn-doped carbon aerogel (Mn/CA) (168 F/g vs. 98 F/g). The enhanced capacitance of 7 wt% Mn-doped activated carbon aerogel was attributed to the outstanding electric properties of activated carbon aerogel as well as the faradaic redox reactions of manganese oxide.     

Catalytic Performance of MnOx Nanorods in Aerobic Oxidation of Benzyl Alcohol

Various manganese oxide nanorods with similar one-dimensional morphology were prepared by calcination of MnOOH nanorods under different gas atmosphere and at different temper-atures, which were synthesized by a hydrothermal route. The morphology and structure of MnO_x catalysts were characterized by a series of techniques including X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, and tempera-ture programmed reduction (TPR). The catalytic activities of the prepared MnO_x nanorods were tested in the liquid phase aerobic oxidation of benzyl alcohol, which follow a sequence as MnO₂>Mn₂O₃≈Mn₃O₄>MnOOH with benzaldehyde being the main product. On the basis of H₂-TPR results, the superior activity of MnO₂ is ascribed to its lower reduction temperature and therefore high oxygen mobility and excellent redox ability. Moreover, a good recycling ability was observed over MnO₂ catalysts by simply thermal treatment in air.     

草酸-草酰胺混合桥联Mn(Ⅱ)-Cu(Ⅱ) 一维配合物的合成、晶体结构与磁性

合成了1个草酸-草酰胺混合桥联的双异金属配合物[Cu(L)(H₂O)Mn(C₂O₄)]·4H₂O(H₂L为1,4,8,11-四氮杂环十四烷-2,3-二酮). 配合物由[Cu(Ⅱ)L(H₂O)], Mn(Ⅱ), 草酸根和晶格水分子构成. Mn(Ⅱ)通过草酸根的交替桥联作用形成弯折的中性一维链状骨架[Mn(C₂O₄)]_n, 而Mn(Ⅱ)剩余的2个配位点则由[CuL]上的2个草酰胺氧原子占据, 形成了草酸-草酰胺混合桥联一维双金属配合物. 而Cu(Ⅱ)为五配位, 轴向上由1个水分子占据. 磁性研究表明, 配合物中Cu(Ⅱ)-Mn(Ⅱ)间通过草酰胺传递反铁磁相互作用, 而Mn(Ⅱ)-Mn(Ⅱ)间亦通过草酸根离子存在反铁磁耦合. 通过MAGPACK软件对变温磁化率进行拟合, 得到J_Cu-Mn=-13.1 cm^-1, J_Mn-Mn=-0.87 cm^-1, g=2.01.     

Preparation and Electrochemical Characteristics of Three-dimensional Manganese Oxide Micro-supercapacitor Electrode

In order to increase the electrode surface area and enhance the charge storage capacity, we study the micro electro mechanical system technology to fabricate three-dimensional high aspect ratio micro-electrode structure based on glass. The anodic constant potential method is employed to deposit manganese oxide as electroactive substances on the micro-electrode surface. Cyclic voltammetry and constant current charge-discharge method are both used to prepare electrode electrochemical performance testing, with a two-dimensional electrode without structure for comparison. Experimental results show that three-dimensional elec-trode structure can effectively enhance the charge storage capacity. At 1.0 mA/cm² charge-discharge density, the three-dimensional electrode shows a capacitance of 17.88 mF/cm², seven times higher than the two-dimensional electrode.     

不同形貌锰氧化物对重金属离子吸附的AAS和AFS分析

通过简单的水热法控制性合成了两种不同形貌的锰氧化物(层状OL和隧道状OMS),并考察了这两种材料对几种重金属离子Pb2+,Cu2+,Ni2+,Hg2+的吸附。通过原子吸收光谱(AAS)和原子荧光光谱(AFS)测定吸附前后离子浓度,比较两种材料的吸附性能,以及对不同离子的选择性吸附。实验表明OMS形貌的锰氧化物是一种良好吸附剂,对铅离子具有很好的选择性吸附,两分钟内吸附率达98%。由此可建立一种简单、绿色、高效地去除污水中重金属离子的方法。     

Response of Mn overlayers on Fe to external magnetic fields: Electronic structure calculations

The behavior of Mn overlayers on Fe(0 0 1) under the influence of external magnetic fields is investigated. The electronic charge distribution, local magnetic moments as well as their couplings are determined as a function of the external field by solving self-consistently a tight binding Hamiltonian, parameterized to ab initio TBLMTO calculations. Our method allows to trace back the field-dependent average magnetization of the system to its electronic structure and magnetic configuration. We show how in the non-collinear framework the response of the system is markedly different to what is found in the collinear framework. If metastable magnetic configurations exist, the external field can be used for tuning the system between some of them because the system stays in some of those metastable states even after switching off the external field.