利用多层膜生长技术制备纳米印章模板

在纳米印章技术中，为克服电子束刻蚀制备50nm以下线条的技术难点，利用等离子增强化学 气相沉积技术制备了a-Si/SiN_x多层膜，再利用选择性湿法腐蚀或干法腐蚀在横 截面上制备出浮雕型一维纳米级模板. 多层膜子层之间界面清晰陡峭，可以在纳米量级对子 层厚度进行控制，得到了侧壁在纳米尺度上平滑的模板. 通过控制多层膜子层的生长时间， 制备出线条宽度和槽状宽度均为20nm的等间距模板，品质优于电子束刻蚀技术制备的模板. 关键词： 纳米印章模板 多层膜生长技术     

大直径聚苯乙烯小球自组织方法制备高质量opal晶体

通过改进样品池的结构和其他实验条件，用气压法制备了大直径聚苯乙烯小球（直径为1 μm和700 nm）的人造蛋白石（opal）样品，并测量了其能带特性.对于制备能带位置在红外波段的三维光子晶体，这一实验结果将有很广阔的用途. 关键词： 光子晶体 光子带隙 人造蛋白石（opal）     

浓度序列对基于双异步正交样品设计构建的二维异步谱峰信噪比的影响

双异步正交样品设计(DAOSD)是通过对样品体系施加浓度的微扰,诱导光谱信号产生动态变化,并通过数学处理研究样品中物质间相互作用的二维相关光谱方法。提高二维谱图的信噪比对于谱图中交叉峰的分辨乃至物质间相互作用的考察有着十分重要的意义。通过计算机模拟考察了DAOSD构建二维相关光谱的方法中样品浓度序列对光谱行为影响。结果表明,在溶液数量较少的情况下,通过改变样品的浓度和组合顺序,可以有效提高交叉峰的信噪比,从而得到更高质量的二维谱图。     

Direct Henry reactions with modified calcium oxide as solid catalyst

Commercial CaO was modified simply with benzyl bromide. The modified CaO had good water resistance, and characterization by FTIR and TG revealed the modifier was chemically bonded to the CaO surface. Commercial CaO and CaO modified with benzyl bromide were investigated as catalysts for the Henry reaction between benzaldehyde and nitromethane. It was found that the catalytic activity of the modified CaO was greatly improved, with high conversion of benzaldehyde to the (E)-phenyl nitroolefin and 1-phenyl-2-nitroethanol, and with different selectivity from commercial CaO. The effect of modification and reaction conditions on yield, selectivity, and mechanism were studied thoroughly.     

Effects of the laser surface treatment on the mechanical properties of CuZr-based bulk metallic glasses

Surfaces of three types of CuZr-based bulk metallic glasses (BMGs) were modified by laser surface treatment (LST), and the influence of the treatment on structure and mechanical properties of these alloys was investigated. The phase structure of as-cast and laser-treated samples was characterized by XRD and the morphology of the alloys after fracture was examined by SEM. The compressive plasticity of treated Cu47.5Zr47.5Al5 and Cu46.5Zr47.5Al5Co1 BMGs can be improved from 0.5% to 2.0% and from 1.2% to 5.7% respectively compared with the as-cast ones, while (Cu0.55Zr0.40Al0.05)99Er1 BMG shows insignificant change of plasticity. The improvement in plasticity is attributed to induced crystallization of B2 CuZr phase in the treated surface zone of selected metallic glasses.     

多铁材料BaCoF$lt;sub$gt;4$lt;/sub$gt;电子结构的第一性原理研究

采用基于密度泛函理论的广义梯度近似方法和赝势平面波法,对多铁材料BaCoF₄的铁电反铁磁相和可能的顺电相的电子结构进行了第一性原理研究.研究表明,反铁磁态很可能有利于低温下的铁电稳定性,F的强负电性使得体系内原子间主要是离子键相互作用.Co离子与在bc面上的F（2）,F（3）离子间完全是离子键作用,而与F（4）间有较弱的共价作用,与F（1）间作用介于两者之间.铁电畸变主要来源于Ba离子与F（1）, F（2）, F（3）离子沿着c轴方向的相对位移,F（4）对铁电性的贡献最少.铁电相中F（2）, F（3）离子的能量低于中心对称相,最大位移贡献者F（1）的化学键性由弱共价作用到离子键的变化也是最大的,这均有利于体系的稳定. 关键词： 第一性原理 铁电性 铁电畸变 反铁磁性     

多个侧向链对横向量子线传输性质的调制

利用递推格林函数方法，研究了与多个量子点间无相互作用的量子链相耦合的横向量子线的电子输运特性，发现量子链上格点的个数N_U与侧向无限或有限量子链个数N对横向量子线输运性质的不同调制规律.由计算可知，利用格林函数可以方便的对传输构型及传输链中的格点数进行调解，从而得到各种人为量子器件的输运性质. 关键词： 递推格林函数 无限链 有限链 电子输运     

H2S在Fe(100)面吸附的第一性原理研究

基于密度泛函理论第一性原理, 在广义梯度近似下, 研究了表面覆盖度为0.25 ML (monolayer)时硫化氢分子在Fe(100)面吸附的结构和电子性质, 并与单个硫原子吸附结果进行了对比. 结果表明: 硫化氢分子吸附在B2位吸附能最小为-1.23 eV, 最稳定, B1位吸附能最大为-0.01 eV, 最不稳定; 并对硫化氢分子在B1位和B2位吸附后的电子态密度进行了分析, 也表明了吸附在B2位稳定, 且吸附在B2位后硫化氢分子几何结构变化不大; 将硫化氢中硫原子吸附与单个硫原子吸附的电子性质进行了比较, 发现前者吸附作用非常微弱; 同时对吸附后的Fe(100)面进行了对比, 单个硫原子吸附的Fe(100)面电子态密度出现了一系列峰值且离散分布, 生成了硫化亚铁, 表明在硫化氢环境下, 主要是硫化氢析出的硫原子发生了吸附. 关键词： 第一性原理 Fe(100)表面 吸附能 硫化氢     

Coral reef-like polyanaline nanotubes prepared by a reactive template of manganese oxide for supercapacitor electrode

Coral reef-like PANI nanotubes composed of nanopaticles were successfully synthesized by a reactive template of manganese oxide.The structure was characterized by using SEM,TEM,and FT-IR,and the supercapacitive behaviors of these nanotubes were investigated with cyclic voltammetry（CV）,and charge-discharge tests,respectively.A maximum specific capacitance of 533 F/g could be achieved in 1mol/L aqueous H₂SO₄ with the potential range of -0.2 to 0.8 V（vs.the saturated calomel electrode） in a half-cell setup configuration for PANI electrode,suggesting its potential application in the electrode material for electrochemical capacitors.     

Pico-second photoelectric characteristic in manganite oxide La0.67Ca0.33MnO3 films

Ultrafast photoelectric characteristic has been observed in La_0.67Ca_0.33MnO₃ films on tilted SrTiO₃ substrates. A pico-second (ps) open-circuit photovoltage of the perovskite manganese oxide films has been obtained when the films were irradiated by a 1.064μm laser pulse of 25 ps duration. The rise time and full width at half-maximum of the photovoltage pulse are ～300 ps and ～700 ps, respectively. The photovoltaic sensitivity was as large as ～500 mV/mJ.