First-principles prediction of the electronic and magnetic properties of nitrogen-doped ZnO nanosheets

The electronic and magnetic properties of N-doped ZnO nanosheets are investigated by density functional theory using local spin density approximation. The results show that in an isolated N-doped ZnO nanosheet, there is a clear spontaneous polarization of N 2p state with a magnetic moment 1.0 μ_B/N. We also find that the doped nitrogen atoms in ZnO nanosheets have a clustering tendency with ferromagnetic coupling between them, and thus a high room-temperature ferromagnetic nature is expected. The ferromagnetic coupling in N-doped ZnO nanosheets can be attributed to the hole-mediated double-exchange mechanism through strong p–d interaction between nitrogen and zinc atoms.     

BaTiO3纳米颗粒的聚丙烯酰胺凝胶法合成及光催化降解甲基红性能

采用聚丙烯酰胺凝胶法合成了BaTiO3纳米颗粒,利用X射线衍射、傅里叶变换红外光谱、透射电镜和紫外-可见漫反射光谱对样品进行了表征.结果表明,以柠檬酸酸为络合剂、pH=2且在700℃焙烧时可制备出单相BaTiO3纳米颗粒,其形状较为规整,近似呈球形,平均粒径约为55 nm,光学带隙值为3.25 eV.以偶氮染料甲基红为目标降解物,研究了BaTiO3纳米颗粒的光催化性能.结果表明,在紫外光照射下该纳米颗粒表现出较高的催化活性,光催化机理主要为光生空穴的直接氧化.     

Porous cobalt hydroxide film electrodeposited on nickel foam with excellent electrochemical capacitive behavior

A new porous cobalt hydroxide film has been successfully electrodeposited on nickel foam from 0.1?M cobalt nitrate electrolyte at ?1.0?V vs. SCE without adding any surfactant. The microstructure and surface morphology of prepared cobalt hydroxide films were physically characterized by X-ray diffraction analysis and scanning electron microscopy. The results indicate that an interlaced network structure was obtained. The effects of electrodeposition time, deposition potential, and different substrates on the specific capacitance and microstructure of prepared porous ??-Co(OH)₂ thin film were systematically studied. The results indicate that the film deposited on nickel foam at ?1.0?V has excellent electrochemical properties. A maximum specific capacitance of 1473?F?g^?1 could be achieved at a current density of 2?A?g^?1.     

粒径可控的纳米铁酸铋的制备及其光催化性能

采用改进的聚丙烯酰胺凝胶法制备了BiFeO3纳米颗粒,利用热重-差热、红外光谱及X射线衍射等手段研究了干凝胶的热分解及BiFeO3的成相过程.结果表明,在600℃煅烧可制备出高纯的BiFeO3纳米颗粒.同时发现,随着双丙烯酰胺含量的增加,所得样品晶粒尺寸逐渐减小,从而制备出平均粒径约52～110nm的系列BiFeO3颗...     

新型半导体可见光催化剂纳米锰酸钇

采用聚丙烯酰胺凝胶法制备了锰酸钇(YMnO3)纳米颗粒,并运用X射线衍射、扫描电镜和紫外可见漫反射光谱对样品进行了表征.结果表明,制得的YMnO3纳米晶主要为六方钙钛矿结构,兼有少许的正交钙钛矿结构,且颗粒粒度均匀、形貌规整、呈类球形,平均颗粒尺寸约为45 nm.另外,测得YMnO3纳米颗粒的光学带隙值为1.31 eV...     

热处理对La0.63Gd0.2Mg0.17Ni3.1Co0.3Al0.1储氢合金微观组织和电化学性能的影响

在氩气气氛和1173 K保温条件下对La0.63 Gd0.2 Mg0.17Ni3.1 Co0.3 Al0.1储氢合金进行不同时间(t=8 ～168 h)的热处理,采用电感耦合等离子发射光谱(ICP)、X射线衍射(XRD)、电子探针显微分析方法(EPMA)和电化学测试分析方法对比研究了退火时间对合金显微组织演化和电化学性能的影响.研究结果表明,铸态合金组织由Ce2 Ni7型、Gd2Co7型、Pr5 Co19型、PuNi3型和CaCu5型相组成,其Ce2 Ni7型相的丰度为78.9％,随退火时间的延长,退火合金中Ce2 Ni7型相的丰度逐渐增加,当退火时间t=168 h时其相丰度达到94.5％,Ce2 Ni7型相结构的晶胞参数和晶胞体积随退火时间增加而减小.电化学测试分析表明,退火合金电极的电化学性能与Ce2 Ni7型相的丰度有密切关系,退火时间对合金电极的活化性能影响不大,但合金电极放电容量随退火时间的延长逐渐提高,当t=168 h时,合金电极放电容量达到最大值386.8mAh·g-1;退火时间对合金电极循环稳定性的提高和改善有不同程度的影响,当退火时间t=16～168 h时,经100次充放电循环后,其电极容量保持率S100=90.3％～91.5％.热处理能有效改善合金电极电化学反应的动力学性能,但不同退火时间对合金电极的高倍率放电性能影响不明显.     

A hierarchical porous carbon membrane from polyacrylonitrile/polyvinylpyrrolidone blending membranes: Preparation,characterization and electrochemical capacitive performance

Novel hierarchical porous carbon membranes were fabricated through a simple carbonization procedure of well-defined blending polymer membrane precursors containing the source of carbon polyacrylonitrile (PAN) and an additive of polyvinylpyrrolidone (PVP), which was prepared using phase inversion method. The as-fabricated materials were further used as the active electrode materials for supercapacitors. The effects of PVP concentration in the casting solution on structure feature and electrochemical capacitive performance of the as-prepared carbon membranes were also studied in detail. As the electrode material for supercapacitor, a high specific capacitance of 278.0 F/g could be attained at a current of 5 mA/cm² and about 92.90% capacity retention could be maintained after 2000 charge/discharge cycles in 2 mol/L KOH solution with a PVP concentration of 0.3 wt% in the casting solution. The facile hierarchical pore structure preparation method and the good electrochemical capacitive performance make the prepared carbon membrane particularly promising for use in supercapacitor.     

Structure, spin reorientation and M?ssbauer effect studies of Tb0.3Dy0.7(Fe1?xAlx)1.95 alloys

The effect of Al substitution for Fe on crystal structure, magnetostriction and spontaneous magnetostriction, anisotropy and spin reorientation of a series of polycrystalline Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 alloys (x = 0, 0.05, 0.1, 0.15, 0.20, 0.25, 0.30, 0.35) at room temperature and 77 K was investigated systematically. It was found that the primary phase of Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 is the MgCu₂-type cubic Laves phase structure when x < 0.4 and the lattice constant a of Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 increases approximately and monotonically with the increase of x. The substitution of Al leads to the fact that the magnetostriction λ inceases slightly in a low magnetic field (H ⩽ 40 kA/m), but decreases sharply and is easily close to saturation in a high applied field as x increases, showing that a small amount of Al substitution is beneficial to a decrease in the magnetocrystalline anisotropy. It was also found that the spontaneous magnetostriction λ ₁₁₁ decreases greatly with x increasing. The analysis of the M?ssbauer spectra indicated that the easy magnetization direction in the {110} plane deviates slightly from the main axis of symmetry with the changes of composition and temperature, namely spin reorientation. A small amount of non-magnetic phase exists for x = 0.15 in Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 alloys and the alloys become paramagnetic for x > 0.15 at room temperature, but at 77 K the alloys still remain magnetic phase even for x = 0.2. At room temperature and 77 K, the hyperfine field decreases and the isomer shifts increase with Al concentration increasing.