三氧化钨/氧化银复合材料的水热法合成及其光催化降解性能研究

染料污染是水污染中最严重的问题之一,吸引了很多科学家的关注.人们尝试了很多方法去解决该问题,如化学氧化法、物理吸附法、光催化降解法和生物降解法等.与其他几种方法相比,光催化法有着低能耗、环保以及高效等优势.三氧化钨是常见的半导体材料,具有独特的光学性能,近年来受到了广泛的研究.本文以钨酸钠和硫脲为前驱体,通过水热法制备了三氧化钨/氧化银(WO_3/Ag_2O)复合材料,并用光催化降解亚甲基蓝来分析其光催化性能.通过X射线光电子能谱、X射线衍射、透射电子显微镜、扫描电子显微镜、紫外可见吸收光谱等表征手段对样品的形貌、晶格结构和光催化的性能进行表征.氧化银的带宽为1.2 e V,对可见光很敏感,三氧化钨和氧化银的复合使材料在可见光下的光催化活性显著增强,在可见光下对亚甲基蓝染料的光降解率可以达到98%.实验结果表明,复合材料中的三氧化钨纳米棒为六方相,其平均直径约为200 nm,平均长度约为4μm.而复合材料中的氧化银纳米颗粒为六方相,附着在氧化钨纳米棒的表面,平均晶粒尺寸为20 nm.氧化银的存在为复合材料提供了更多的反应活性位点.相较于单一组分,复合材料在可见光下的光吸收度更高,这说明三氧化钨和氧化银的复合改变了材料的能带结构.研究发现,三氧化钨和氧化银之间形成的异质结构是其优良光催化性能的来源.此外,三氧化钨和氧化银复合材料还具有良好的催化稳定性和化学稳定性.本文结果表明,可以通过给宽带隙的半导体材料复合一些带隙合适的金属氧化物以提升其光催化活性.     

The improvement of gas-sensing properties of SnO<Subscript>2</Subscript>/zeolite-assembled composite

SnO₂-impregnated zeolite composites were used as gas-sensing materials to improve the sensitivity and selectivity of the metal oxide-based resistive-type gas sensors. Nanocrystalline MFI type zeolite (ZSM-5) was prepared by hydrothermal synthesis. Highly dispersive SnO₂ nanoparticles were then successfully assembled on the surface of the ZSM-5 nanoparticles by using the impregnation methods. The SnO₂ nanoparticles are nearly spherical with the particle size of ~?10 nm. An enhanced formaldehyde sensing of as-synthesized SnO₂-ZSM-5-based sensor was observed whereas a suppression on the sensor response to other volatile organic vapors (VOCs) such as acetone, ethanol, and methanol was noticed. The possible reasons for this contrary observation were proposed to be related to the amount of the produced water vapor during the sensing reactions assisted by the ZSM-5 nanoparticles. This provides a possible new strategy to improve the selectivity of the gas sensors. The effect of the humidity on the sensor response to formaldehyde was investigated and it was found the higher humidity would decrease the sensor response. A coating layer of the ZSM-5 nanoparticles on top of the SnO₂-ZSM-5-sensing film was thus applied to further improve the sensitivity and selectivity of the sensor through the strong adsorption ability to polar gases and the “filtering effect” by the pores of ZSM-5.     

系统电磁脉冲一维边界层的数值模拟

应用准第一性原理的PIC程序对系统电磁脉冲(SGEMP)一维边界层进行数值模拟,研究无限大介质板发射单一能量为2 keV、发射率为3.3×10²⁰ m^-2·s^-1的光电子,发射角分布为余弦角分布,且平板上留下等量正电荷时的SGEMP效应,得出稳态后电子所能到达的最大距离约在5.8~7.5 cm之间振荡;发射表面z=0处的电荷密度在(6.0~9.0)×10^－6 C/m³之间振荡;表面电场值在50~55 kV/m之间振荡;边界层达到准稳态的时间约为14.0 ns。将稳态模拟结果和理论估算结果进行对比,模拟结果较理论结果更加准确、形象地反映出SGEMP一维边界层的形成过程及稳态结构。     

强流二极管阳极电子束时域能量沉积特性模拟

以强流脉冲电子束为研究对象,提出了一种基于离散时间、限定靶面位置,通过测量靶面不同时刻入射角分布,利用蒙卡程序计算得到电子束的能量(r, z)二维分布沉积值的方法。给出了典型弱箍缩平板二极管(电压峰值700 kV、阻抗7 Ω)阳极靶面不同位置时域的能量沉积值,分析了(0, 0°),(25 mm, 135°),(36 mm, 270°)三个位置纵切剖面的能量沉积特性,结果表明：在各个时间段内电子束入射能量确定的情况下,能量沉积特性与入射角呈现相关性,仿真结果与实验结果符合较好,偏差均小于10%;距阳极靶心25 mm以外的靶面位置,受束流箍缩影响,入射角分布变化较大;当入射角较小时(小于40°),强流电子束能量沉积峰值深度约0.2 mm;当入射角超过40°时,能量沉积峰值深度减小到0.1 mm左右;而阳极靶心位置附近,受束流箍缩影响较小,这些位置的能量沉积特性更接近于小角度入射角情形。     

Y,Zr,Nb掺杂SnO_2电子结构的第一性原理研究

本文基于第一性原理方法研究了Y,Zr,Nb在Sn位掺杂SnO_2的键长变化、稳定性、能带结构以及态密度.结果表明:Y,Zr,Nb在Sn位掺杂SnO_2使附近的键长发生改变,改变量最大是Y掺杂SnO_2体系;掺杂体系的杂质替换能都为负值,表明体系为稳定结构;掺杂使SnO_2能级增多,能较好的调节带隙值;而Y掺杂SnO_2体系价带顶端有一条能级越过了费米线表明该体系呈现出半导体的特征;同时,Y,Zr,Nb掺杂SnO_2使导带底端的能级出现分离;在低能区的态密度仍主要由Sn、O的s轨道贡献;在高能区态密度的掺杂体系出现sp杂化的现象; Zr掺杂SnO_2的态密度能量向低能区移动.     

自然闪电条件下敷地线缆耦合试验

研制了一套能够同时测量线缆皮线和芯线感应电流的试验系统,研究自然闪电条件下敷地线缆的耦合问题。结果表明：不同位置处的线缆皮线感应电流波形基本一致,但幅值存在一定差异,说明感应电流空间分布不均匀; 所测线缆芯线和皮线感应电流的时域波形和频谱比较相似,能量集中在1 kHz~1 MHz之间; 正负地闪芯线感应电压波形均为单一脉冲型,波形持续时间10~49 μs; 正地闪线缆感应电压的幅值范围及幅值平均值都大于负地闪相应结果,说明正地闪产生的线缆耦合作用大于负地闪; 不同雷电过程的线缆感应电压幅值与磁感应强度有较小的相关性,而同一雷电过程则基本成线性关系; 正地闪线缆感应电压波形持续时间、半峰值宽度、10%~90%上升时间的范围及均值都比负地闪的要大。     

一种新的基于频域有限差分方法的小周期有机太阳能电池的光电特性

由MoO₃/Ag/MoO₃ （MAM）组成的多层膜结构非常有希望替代ITO作为有机太阳能电池中的透明阳极.然而,基于MAM结构的有机太阳能电池光吸收能力较弱.为此,引入了一种小周期短节距金属光栅,利用表面等离子激元增强活性层的光吸收.借助于频域有限差分方法求解麦克斯韦方程和半导体方程,探讨了有机太阳能电池结构的光学和电学性质.分析结果表明：与平面结构相比,活性层中的光吸收大大提高;同时,当凹槽宽度为4 nm,能量转换效率提高了49%.相关结果有助于更好地开发和利用无ITO层的有机太阳能电池.     

Formation and magnetic properties of Co–Fe-based bulk metallic glasses with supercooled liquid region

A new Co–Fe-based ferromagnetic bulk metallic glass (BMG) was synthesized by copper mould casting method. The thermal stability and crystallization processes were investigated by differential scanning calorimetry (DSC) and X-ray diffraction (XRD). The soft magnetic behavior was studied by DC magnetic measurements. The high glass formation ability was interpreted in terms of the effective suppression of nucleation and growth of the intermetallic compounds which appear in the multicomponent system during solidification. The high thermal stability indicates that the new Co–Fe-based BMG could be used as high-temperature magnetic material. The low coercivity which was as low as 8 A/m for the as-cast sample was found in the Co–Fe-based metallic glass cylinder with a diameter of 1.5 mm.     

Magnetic,structural and electrical properties of ordered and disordered Co50Fe50 films

Co₅₀Fe₅₀ films with thickness varying from 100 to 500 Å were deposited on a glass substrate by sputtering process, respectively. Two kinds of CoFe films were studied: one was the as-deposited film, and the other the annealed film. The annealing procedure was to keep the films at 400 °C for 5 h in a vacuum of 5×10⁻⁶ mbar. From the X-ray study, we find that the as-deposited film prefers the CoFe(1 1 0) orientation. Moreover, the body-centered cubic (bcc) CoFe(1 1 0) line is split into two peaks: one corresponding to the ordered body-centered tetragonal (bct) phase, and the other, the disordered bcc phase. After annealing, the peak intensity of the ordered bct phase becomes much stronger, while that of the disordered bcc phase disappears. The annealing has also caused the ordered CoFe(2 0 0) line to appear. When the amount of the ordered bct phase in Co₅₀Fe₅₀ is increased, the saturation magnetization (M_s) and coercivity (H_c) become larger, but the electrical resistivity (ρ) decreases. From the temperature coefficient of resistance (TCR) measurement, we learn that the bct grains in the CoFe film start to grow at temperature 82 °C.     

First-principles study on the origin of optical transitions to be associated with F colour centers for PbWO4 crystals

The electronic structures of PbWO₄ crystals containing F type color centers with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Direc–Slater theory, using a numerically discrete variational (DV-Xα) method. The calculated results show that F and F⁺ centers have donor energy level in forbidden band. Their optical transition energy are 1.84 eV, 2.21 eV, respectively, which corresponds to the 680 nm, 550 nm absorption bands. It predicts that the 680 nm, 550 nm absorption bands originate form the F and F⁺ centers in PbWO₄ crystals.