Unravelling the essential difference between TiOx and AlOx interface layers on Ta3N5 photoanode for photoelectrochemical water oxidation

Tantalum nitride(Ta₃N₅) is a very promising photoanode material due to its narrow band gap(2.1 eV)and suitable band alignment for solar water splitting.However,it suffers from severe photocorrosion during water oxidation.In this work,it was found that surface passivation by AlO_x and TiO_x layers results in dramatically different PEC performance of Ta₃N₅ photoanode for water oxidation.The mechanism study indicates that the negative ...     

Benzamides Substituted with Quinoline-Linked 1,2,4-Oxadiazole: Synthesis,Biological Activity and Toxicity to Zebrafish Embryo

To develop new compounds with high activity, broad spectrum and low-toxicity, 17 benzamides substituted with quinoline-linked 1,2,4-oxadiazole were designed using the splicing principle of active substructures and were synthesized. The biological activities were evaluated against 10 fungi, indicating that some of the synthetic compounds showed excellent fungicidal activities. For example, at 50 mg/L, the inhibitory activity of 13p (3-Cl-4-Cl substituted, 86.1%) against Sclerotinia sclerotiorum was superior to that of quinoxyfen (77.8%), and the inhibitory activity of 13f (3-CF₃ substituted, 77.8%) was comparable to that of quinoxyfen. The fungicidal activities of 13f and 13p to Sclerotinia sclerotiorum were better than that of quinoxyfen (14.19 mg/L), with EC₅₀ of 6.67 mg/L and 5.17 mg/L, respectively. Furthermore, the acute toxicity of 13p was 19.42 mg/L, classifying it as a low-toxic compound.     

Preparation and Characterization of Methyl Jasmonate Microcapsules and Their Preserving Effects on Postharvest Potato Tuber

Potato tubers tend to sprout during long-term storage, resulting in quality deterioration and shortened shelf life. Restrictions on the use of chlorpropham, the major potato sprout suppressant, have led to a need to seek alternative methods. In this study, the effects of methyl jasmonate (MeJA) solutions and MeJA microcapsules on sprouting and other key quality attributes of the potato tuber were investigated. The results showed that the MeJA solution was most effective at 300 μmol L⁻¹ according to TOPSIS analysis. To prepare MeJA microcapsules, the optimal formulation is with 0.04% emulsifier, 2.5% sodium alginate, 0.5% chitosan and 3% CaCl₂. Compared to 300 μmol L⁻¹ MeJA solution, MeJA microcapsules consumed a lower dose of MeJA but demonstrated a better retaining effect on the overall quality attributes of potato tubers. MeJA microcapsules are promising agents for the preservation of postharvest potato tubers.     

Superamphiphobic,light-trapping FeSe2 particles with a micro-nano hierarchical structure obtained by an improved solvothermal methodSuperamphiphobic,light-trapping FeSe2 particles with a micro-nano hierarchical structure obtained by an improved solvothermal methodSuperamphiphobic,light-trapping FeSe2 particles with a micro-nano hierarchical structure obtained by an improved solvothermal method

Wettability and the light-trapping effect of FeSe2 particles with a micro-nano hierarchical structure have been inves- tigated. Particles are synthesized by an improved solvothermal method, wherein hexadecyl trimetbyl ammonium bromide （CTAB） is employed as a surfactant. After modifying the particles with heptadecafluorodecyltrimethoxy-silane （HTMS）, we find that the water contact angle （WCA） of the FeSe2 particles increases by 6.1~ and the water sliding angle （WSA） decreases by 2.5~ respectively, and the diffuse reflectivity decreases 29.4% compared with similar FeSe2 particles synthe- sized by the conventional method. The growth process of the particles is analyzed and a growth scenario is given. Upon altering the PH values of the water, we observe that the superhydrophobic property is maintained quite consistently across a wide PH range of 1-14. Moreover, the modified particles were also found to be superoleophobic. To the best of our knowledge, there is no systematic research on the wettability of FeSe2 particles, so our research provides a reference for other researchers.     

Bias dependence of a deep submicron NMOSFET response to total dose irradiation

Deep submicron n-channel metal-oxide-semiconductor field-effect transistors (NMOSFETs) with shallow trench isolation (STI) are exposed to ionizing dose radiation under different bias conditions.The total ionizing dose radiation induced subthreshold leakage current increase and the hump effect under four different irradiation bias conditions including the worst case (ON bias) for the transistors are discussed.The high electric fields at the corners are partly responsible for the subthreshold hump effect.Charge trapped in the isolation oxide,particularly at the Si/SiO 2 interface along the sidewalls of the trench oxide creates a leakage path,which becomes a dominant contributor to the offstate drain-to-source leakage current in the NMOSFET.Non-uniform charge distribution is introduced into a threedimensional (3D) simulation.Good agreement between experimental and simulation results is demonstrated.We find that the electric field distribution along with the STI sidewall is important for the radiation effect under different bias conditions.     

一种有场旋转和集中功能的新型多功能电磁器件的设计与研究

基于变换光学理论设计了一种新型的多功能电磁器件—旋转集中器.它以特殊的方式引导电磁波使其传播方向在器件核心区发生指定角度的旋转,并同时实现电磁场能量向该核心区的集中.针对提出的三种等效的旋转集中器结构,分别推导了相应的本构参数表达式,并利用有限元软件对三种结构分别进行了全波仿真.仿真结果验证了本构参数表达式的正确性.这三种不同的结构中,前两种结构由三层介质构成,后一种简化为两层介质.对于给定的任意旋转角度和能量集中率,三种结构可以使电磁场发生等效的传播方向旋转和能量集中两种效果.这些结果有助于对旋转器和集中器机理的进一步理解,并为复合功能器件的设计奠定了更充分的理论基础.本文提出的旋转集中器在设计高效率接收天线和特殊电路封装互联器件等方面都有潜在的应用前景.     

SiH3+O(3P)反应机理的理论研究

利用abinitio方法对SiH3+O(3P)反应进行了理论研究,在MP2/6-311+G(d,p)水平上优化得到了反应途径上的反应物、中间体、过渡态和产物的几何构型,并在QCISD(T)/6-311+G(d,p)水平上进行单点能计算.计算结果表明,SiH3+O(3P)→IM1→TS3→IM2→TS8→HOSi+H2为主反应通道,其他可能存在的次要产物有HSiOH+H、H2SiO+H和HSiO+H2.HOSi、HSiO和HSiOH(cis)还可能进一步解离生成SiO.另外,计算结果对SiH4+O(3P)反应机理中存在的争议给出了可能的解释,认为Withnall等人在实验中观察到的产物HSiOH、H2SiO和SiO并不是SiH4+O(3P)反应的直接产物,而是来自副反应SiH3+O(3P).     

SO_2和NO_2在γ-Al_2O_3(110)表面吸附的第一性原理计算

采用基于平面波基组的Vienna Ab-initio Simulations Package (VASP)程序研究了SO_2和NO_2在γ-Al_2O_3(110)表面和羟基化γ-Al_2O_3(110)表面的吸附,获得了SO_2和NO_2吸附的不同构型和结构参数.对吸附能,电荷转移,差分电荷密度和投影态密度等进行分析和讨论.对比发现,在γ-Al_2O_3(110)表面SO_2的吸附能力强于NO_2.SO_2或NO_2在非羟基化γ-Al_2O_3(110)表面吸附时O原子的2p轨道和Al原子的3s3p轨道作用形成O-Al键,且SO_2吸附时键结强度高于NO_2.NO_2吸附时费米能级以下有部分反键态,削弱了与γ-Al_2O_3(110)表面相互作用.在羟基化γ-Al_2O_3(110)表面SO_2或NO_2的吸附能力会低于非羟基化表面,但是SO_2的吸附能力依旧强于NO_2.计算结果说明SO_2与γ-Al_2O_3(110)表面的相互作用强于NO_2.以上研究,将有助于理解SO_2和NO_2在γ-Al_2O_3的反应性,为进一步研究它们的非均相转化和在灰霾形成中的促进作用奠定基础.     

石墨烯纳米带电极区N掺杂电子输运性质研究

运用密度泛函理论和非平衡格林函数结合的方法,研究电极区N掺杂对扶手椅型石墨烯纳米带电子输运特性的影响.结果表明,与本征扶手椅型石墨烯纳米带电流-电压曲线相比,宽度为7的石墨烯纳米带电流-电压曲线表现出明显的不对称性,其中心N掺杂表现强烈的整流特性,整流系数达到102数量级,且将N原子从电极区中心位置移动到边缘,整流特性减弱.研究结果表明宽度为7的扶手椅型石墨烯纳米带出现强整流现象的原因主要是负向偏压下能量窗内没有透射峰引起的,该研究结果对将来石墨烯整流器件的设计具有重要的意义.     

Defect-induced failure of optical coating filters

Optical filters composed of Ag, Al₂O₃, and ZnSe films were prepared on BK7 substrates by evaporation. By employing spectrophotometer, microscope, scanning electron microscope (SEM), and energy dispersive spectrum (EDS) analysis, the moisture-dependent stability of the samples was tested. The experimental results revealed that filter failure often occurs initially at defect sites. Small sputtering particles and pinhole are found to be two types of defects that induced the optical coating filter failure. The mechanisms of the defect-induced failure of the filters also are discussed in the article.