Ni、Mo共掺杂对SnO2材料性能影响的仿真研究

针对AgSnO₂触头材料存在的不足,采用基于密度泛函理论的第一性原理对SnO₂、Ni单掺杂、Mo单掺杂以及Ni-Mo共掺杂SnO₂材料进行了电性能与力学性质的研究,计算了各体系的形成能、能带结构、态密度、弹性常数等各项参数。结果表明,掺杂后的材料可以稳定存在,且仍为直接带隙半导体材料。与未掺杂相比,掺杂后体系的能带结构带隙值减少,其中Ni-Mo共掺杂时的带隙值最小,载流子跃迁所需能量减少,极大地改善了SnO₂的电性能;由弹性常数计算了剪切模量、体积模量、硬度等参数,其中Ni-Mo共掺杂时的硬度大幅降低,韧性增强,有利于AgSnO₂触头材料后续加工成型,且其普适弹性各向异性指数最小,不易形成裂纹。综合各项因素,Ni-Mo共掺杂能够很好地改善SnO₂的性能,为触头材料的发展提供了理论指导。     

大豆脲酶诱导碳酸钙沉淀的多因素影响分析

本文探究了多个影响因素对大豆脲酶诱导碳酸钙沉淀(SICP)的影响,以优选出主要影响因素并提供其最佳范围。首先分析了脲酶浓度和温度对脲酶活性的影响;之后通过正交实验设计,进行25种工况的SICP水溶液实验,研究不同因素组合下Ca²⁺利用率的变化规律;最后借助扫描电子显微镜观测不同工况下生成碳酸钙的形态。结果表明:低温有利于脲酶的保存及活性发挥,5 ℃时脲酶活性能保持21 d以上;同一温度下,脲酶浓度越大,脲酶初始活性越高,脲酶完全失活所需时间越短。pH值、脲酶与胶结液体积比是影响Ca²⁺利用率的主要因素。为达到较高的Ca²⁺利用率,脲酶和胶结液最佳体积比为1,氯化钙与尿素最佳浓度比为1.5,Ca²⁺最佳浓度为1 mol/L。当脲酶浓度较低时生成的六面体状碳酸钙较多;随着脲酶浓度的增大,所沉淀的碳酸钙向球形转变。大豆中富含的天冬氨酸是控制碳酸钙形态的重要因素。     

Eu:Lu2O3透明闪烁陶瓷的制备与性能

采用湿化学法合成了Eu原子掺量5%的Lu₂O₃陶瓷前驱体,通过SEM、XRD研究了煅烧前后前驱体和1 100 ℃煅烧4 h后粉体的形貌、结构以及物相。结果表明煅烧后的粉体为纳米类球形、高分散且结晶性良好的颗粒。颗粒尺寸为68.5 nm。使用煅烧后的粉体为原料,在1 650 ℃真空烧结30 h制备了高透过率的Eu:Lu₂O₃陶瓷,晶粒尺寸为46 μm,在611 nm处的直线透过率可以达到66.3%。此外对陶瓷的吸收曲线、光致激发和发射光谱特性以及X射线激发发射光谱进行研究。可观察到,Eu:Lu₂O₃陶瓷存在基质和激活离子两类吸收,光致发光光谱和X射线激发发射光谱均可以看出Eu:Lu₂O₃陶瓷存在极强的⁵D₀→⁷F₂跃迁发光,位于611 nm处。对比商业的BGO单晶的X射线发射光谱,可得本实验中制备的陶瓷的光输出为85 000 ph/MeV。Eu:Lu₂O₃陶瓷本身有着高X射线以及高能粒子的阻止能力,结合高光输出特性,表明Eu:Lu₂O₃陶瓷在X射线成像等领域具有巨大的潜在应用价值。     

棒状PANI/TiO2纳米复合材料的制备及光催化性能研究

通过共混法和原位氧化聚合法成功制备了棒状聚苯胺/TiO2纳米复合材料,通过SEM、XRD、FT-IR、TGA、TEM、紫外-可见漫反射光谱等测试对其进行表征.并以罗丹明B溶液为模拟污染物,在可见光条件下,棒状PANI/TiO2纳米复合材料的催化降解效率与纯PANI和TiO2相比明显提高.另外,对两种不同方法合成的PANI/TiO2纳米复合材料的光催化性能进行对比,结果表明原位氧化聚合法制得的复合材料,由于TiO2在复合材料中的均匀分布及其与PANI的协同效应,光催化降解率可达91.11;.     

大范围ReS2纳米带的化学气相沉积制备及特性表征

采用化学气相沉积方法,在整个SiO2(300 nm)/Si衬底上制备出了大面积、高质量的单层及多层ReS2纳米带,纳米带的长度可达150μm.利用光镜、原子力显微镜(AFM)、荧光(PL),拉曼(Raman)以及X射线光电子能谱分析(XPS)等手段对所得不同层数的ReS2样品进行了表征.结果表明:所制备的ReS2纳米带的拉曼信号与化学气相沉积方法制备的(CVD)单层及多层的薄膜材料差别不大,而其荧光峰出现了明显的展宽,且峰位出现了明显的蓝移.化学气相沉积法(CVD)制备ReS2纳米带操作简单,可控性与可重复性高,对其基础研究和未来潜在应用有着比较重要的现实意义.     

掺杂稀土铁磁性纳米复合粉体的制备

采用水热法以FeCl2和KOH为原料制备Fe3 O4粉体,以氧化钇、氧化铕和氧化铽为原料制备Y2 O3:1;Eu3+,5;Tb3+粉体,然后以Fe3 O4粉体,Y2 O3:1;Eu3+,5;Tb3+粉体和三聚氰胺为原料,采用微波烧结法在Ar气气氛下制备FeYO3/Y2 O3:1;Eu3+,5;Tb3+复合粉体,利用XRD衍射仪对各种粉体的结构进行分析,利用扫描电镜对复合粉体的形貌进行观察,并利用振动样品磁强计对复合粉体的磁学性能进行研究.结果表明:复合粉体均呈针状,长度和细度均为纳米级.当Fe3 O4,Y2 O3:1;Eu3+,5;Tb3+和三聚氰胺比例为1:3:4时,所制备的FeYO3/Y2 O3:1;Eu3+,5;Tb3+粉体磁力最强,磁力饱和强度为11.3 emu·g-1.     

基于NiCo2O4纳米片电极的非对称混合电容器

The looming global energy crisis and ever-increasing energy demands have catalyzed the development of renewable energy storage systems. In this regard, supercapacitors (SCs) have attracted widespread attention because of their advantageous attributes such as high power density, excellent cycle stability, and environmental friendliness. However, SCs exhibit low energy density and it is important to optimize electrode materials to improve the overall performance of these devices. Among the various electrode materials available, spinel nickel cobaltate (NiCo₂O₄) is particularly interesting because of its excellent theoretical capacitance. Based on the understanding that the performances of the electrode materials strongly depend on their morphologies and structures, in this study, we successfully synthesized NiCo₂O₄ nanosheets on Ni foam via a simple hydrothermal route followed by calcination. The structures and morphologies of the as-synthesized products were characterized by X-ray diffraction, scanning electron microscopy, and Brunauer-Emmett-Teller (BET) surface area analysis, and the results showed that they were uniformly distributed on the Ni foam support. The surface chemical states of the elements in the samples were identified by X-ray photoelectron spectroscopy. The as-synthesized NiCo₂O₄ products were then tested as cathode materials for supercapacitors in a traditional three-electrode system. The electrochemical performances of the NiCo₂O₄ electrode materials were studied and the area capacitance was found to be 1.26 C·cm^-2 at a current density of 1 mA·cm^-2. Furthermore, outstanding cycling stability with 97.6% retention of the initial discharge capacitance after 10000 cycles and excellent rate performance (67.5% capacitance retention with the current density from 1 to 14 mA·cm^-2) were achieved. It was found that the Ni foam supporting the NiCo₂O₄ nanosheets increased the conductivity of the electrode materials. However, it is worth noting that the contribution of nickel foam to the areal capacitance of the electrode materials was almost zero during the charge and discharge processes. To further investigate the practical application of the as-synthesized NiCo₂O₄ nanosheets-based electrode, a device was assembled with the as-prepared samples as the positive electrode and active carbon (AC) as the negative electrode. The assembled supercapacitor showed energy densities of 0.14 and 0.09 Wh·cm^-3 at 1.56 and 4.5 W·cm^-3, respectively. Furthermore, it was able to maintain 95% of its initial specific capacitance after 10000 cycles. The excellent electrochemical performance of the NiCo₂O₄ nanosheets could be ascribed to their unique spatial structure composed of interconnected ultrathin nanosheets, which facilitated electron transportation and ion penetration, suggesting their potential applications as electrode materials for high performance supercapacitors. The present synthetic route can be extended to other ternary transition metal oxides/sulfides for future energy storage devices and systems.     

可用于连续识别Cu^2+和阴离子、中性分子荧光探针的研究进展

铜(Cu)含量的高低直接影响着生命体的正常运转和自然体系的平衡.检测铜离子的方法多种多样,其中具有较高敏感度和选择性的荧光化学传感器应用更加广泛.综述了以Cu^2+为基的荧光化学传感器通过"替换"法实现了对阴离子S^2-, CN^-, H2PO4^-, PPi和I^-以及中性分子ATP、ADP和生物硫醇等的连续识别的研究进展.     

高效液相色谱手性固定相法拆分BETTI碱及其衍生物对映体

在纤维素三（3,5-二甲基苯基氨基甲酸酯）（Chiralcel OD-H）和Pirkle型(R, R)-Whelk-O1手性柱上对手性氨基酚1-(α-氨基苄基)-2-萘酚（Betti 碱）及其衍生物1-(α-苄氨基苄基)-2-萘酚和1-(α-哌啶基苄基)-2-萘酚对映体分离进行了研究，分别考察了在正己烷流动相中，碱性添加剂、醇类添加剂的种类和浓度对手性拆分的影响。结果表明：溶质在Chiralcel OD-H柱上的分离效果好，而在(R, R)-Whelk-O1手性柱上只有1-(α-苄氨基苄基)-2-萘酚部分分离。研究了空间立体结构因素对手性分离的影响，初步探讨和比较了溶质在这2种手性柱上的手性识别机理。发现对(R, R)-Whelk-O1柱，溶质与固定相之间的吸引作用很小，而对于Chiralcel OD-H柱，溶质在手性空腔中的空间适应性很可能是手性识别的关键。