EMD和SPA算法在光谱法检测面粉过氧化苯甲酰添加量中的应用

将经验模态分解(EMD)和连续投影算法(SPA)结合用于面粉过氧化苯甲酰(BPO)添加量的近红外光谱检测分析中。在波长898～1 725 nm范围内采集添加了BPO的面粉样本光谱,先通过EMD分解法对其进行噪声预处理,然后利用SPA算法提取光谱特征波长。EMD处理后的光谱建模精度比原始光谱建模精度大大提高,通过SPA算法从512个波长中提取了7个特征波长,基于特征波长建立的模型,与EMD处理后全波长建模结果相比,建模波长个数大幅缩减,但是模型精度与全谱建模相当,结果表明：EMD和SPA结合可有效用于面粉BPO检测的光谱去噪和特征波长提取,该结果为开发便携式面粉BPO检测仪提供了参考和依据。     

高性能石墨烯霍尔传感器

本文回顾了石墨烯霍尔传感器的相关研究工作.通过改善石墨烯生长转移和霍尔元件的微加工工艺,石墨烯霍尔元件和霍尔集成电路都展示出超越传统霍尔传感器的优异性能.石墨烯霍尔元件的灵敏度、分辨率、线性度和温度稳定性等重要指标都优于传统商用霍尔元件.通过开发一套钝化工艺,霍尔元件的稳定性有了明显提升.结合石墨烯材料的特点,展示了石墨烯在柔性磁传感和多功能传感领域的新颖应用.此外,成功实现了石墨烯/硅互补型金属-氧化物-半导体(CMOS)混合霍尔集成电路,并进行了应用展示.通过发展一套低温加工工艺(不超过180℃),将石墨烯霍尔元件制备在硅基CMOS芯片的钝化层上,从而与硅基CMOS电路实现了单片集成.本文的研究结果表明石墨烯在霍尔磁探测方向拥有重大的性能优势,在产业化应用中有巨大发展潜力.     

In、Sc掺杂对SrTiO3电子结构和光学性质的影响

采用基于密度泛函理论的第一性原理平面波超软赝势计算方法, 研究了In、Sc p型掺杂对SrTiO3母体化合物稳定性、电子结构和光学性质的影响. 计算结果表明:掺杂后, SrIn0.125Ti0.875O3和SrSc0.125Ti0.875O3的稳定性降低, 体系显示p型简并半导体特征, 掺杂仅引起杂质原子近邻区域的几何结构发生变化. 同时, SrIn0.125Ti0.875O3和SrSc0.125Ti0.875O3体系的光学带隙分别展宽0.35、0.30 eV, 光学吸收边发生蓝移, 在1.25-2.00 eV的能量区间出现新的吸收峰, 该吸收峰与体系Drude型自由载流子的激发相关. 此外, SrIn0.125Ti0.875O3和SrSc0.125Ti0.875O3体系的可见光透过率有了明显的提高, 在350-625 nm波长范围透过率高于85%. 掺杂原子在费米能级处低的电子态密度限制了跃迁概率和光吸收. 大的禁带宽度、小的跃迁概率和弱的光吸收是SrIn0.125Ti0.875O3和SrSc0.125Ti0.875O3体系具有较高光学透明度的原因.     

First-Principles Study on Magnetic Properties of V-Doped ZnO Nanotubes

Electronic and magnetic properties of V-doped ZnO nanotubes in which one of Zn^2＋ ions is substituted by V^2＋ ions are studied by the first-principles calculations of plane wave ultra-soft pseudo-potential technology based on the spin-density function theory. The computational results reveal that spontaneous magnetization in Vdoped （9,0） ZnO nanotubes can be induced without p-type or n-type doping treatment, and the ferromagnetism is isotropic and independent of the chirality and diameter of the nanotubes. It is found that V-doped ZnO nanotubes have large magnetic moments and are ferromagnetic half-metal materials. Moreover, the ferromagnetic coupling among V atoms is generated by O 2p electron spins and V 3d electron spins localized at the exchanging interactions between magnetic transitional metal （TM） impurities. The appearance of ferromagnetism in V-doped ZnO nanotubes gives some reference to fabrication of a transparent ferromagnet which may have a great impact on industrial applications in magneto-optical devices.     

HFCVD法制备纳米晶体碳化硅薄膜中氢流量对晶粒尺寸的影响

以甲烷、硅烷和氢气为反应气体,采用热丝化学气相沉积(HFCVD)法在单晶硅衬底上沉积纳米晶体碳化硅(SiC)薄膜.通过X射线衍射(XRD)和扫描电子显微镜(SEM)分别对SiC薄膜的晶体结构和表面形貌进行分析.实验发现氢气流量对碳化硅薄膜晶粒尺寸有很大影响,当氢气流量从10SCCM变化到300SCCM时,薄膜晶粒的平均尺寸将由较大的400 nm左右减小到40 nm左右.     

新型窗帘式WO3基电致变色器件设计与制备

采用磁控溅射法制备氧化钨(WO₃),基于电流驱动模型设计制备无需对电极层的新型窗帘式电致变色器件,并对器件的边框、WO₃薄膜的最佳厚度和离子储存区尺寸进行了系统优化。结果表明,制备得到的WO₃薄膜在550 nm波长处的调制率高达78%,1000圈循环伏安曲线测试后电荷储量衰减率仅为3.5%;设计的窗帘式器件显色区域高度可控,且消除了对电极对器件性能的影响。该研究为电致变色器件结构创新提供了新思路。     

新型除草剂双甲胺草磷(H-9201)在胡萝卜和土壤中的残留动态研究

建立了新型除草剂双甲胺草磷(H-9201)残留GC FPD检测方法,并对其在胡萝卜田的残留动态进行了研究.结果表明:植物样本的平均添加回收率为89.2%～101.8%,变异系数为:4.3%～5.0%,土壤中的平均添加回收率为90.8%～95.1%,变异系数为:3.0%～16.4%.本方法对双甲胺磷的检出限为:胡萝卜中为0.01 mg/kg,土壤中为0.005 mg/kg.残留动态研究表明:双甲胺草磷土壤中的半衰期为27.8 d,胡萝卜中的最终残留量＜0.02 mg/kg,土壤中的最终残留量＜0.4 mg/kg.     

Effect of In-Doping on Electronic Structure and Optical Properties of Sr2TiO4

The effect of In doping on the electronic structure and optical properties of Sr2 TiO4 is investigated by a firstprinciples calculation of plane wave ultrasoft pseudopotentials based on density functional theory. The calculated results reveal that corner-shared TiO6 octahedra dominate the main electronic properties of Sr2TiO4 and the covalency of the Ti-O（1） bond in the ab plane is stronger than that of the Ti-O（2） bond along the c-axis. After In doping, there is a little lattice expansion in Sr2In0.125 Ti0.875 O4 and the interaction between the Ti-O bond near the impurity In atom is weakened. The binding energies of Sr2TiO4 and Sr2In0.125Ti0.875O4 estimated from the electronic structure calculations indicate that the crystal structure of Sr2In0.125 Ti0.875 O4 is still stable after doping, but its stability is lower than that of undoped Sr2TiO4. Moreover, the valence bands （VBs） of the Sr2In0.125Ti0.875O4 system consist of O 2p and In 4d states, and the mixing of O 2p and In 4d states makes the top VBs shift significantly to high energies, resulting in visible light absorption. The adsorption of visible light is of practical importance for the application of St2 TiO4 as a photocatalyst.     

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