Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH₂) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S₀ and S₁ states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH₂ can undergo the ESDPT process in the S₁ state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules.     

CdS/Si nanofilm heterojunctions based on amorphous silicon films:Fabrication,structures,and electrical properties

Shortening the distance between the depletion region and the electrodes to reduce the trapped probability of carriers is a useful approach for improving the performance of heterojunction.The CdS/Si nanofilm heterojunctions are fabricated by using the radio frequency magnetron sputtering method to deposit the amorphous silicon nanofilms and Cd S nanofilms on the ITO glass in turn.The relation of current density to applied voltage(I-V)shows the obvious rectification effect.From the analysis of the double logarithm I-V curve it follows that below~2.73 V the electron behaviors obey the Ohmic mechanism and above~2.73 V the electron behaviors conform to the space charge limited current(SCLC)mechanism.In the SCLC region part of the traps between the Fermi level and conduction band are occupied,and with the increase of voltage most of the traps are occupied.It is believed that Cd S/Si nanofilm heterojunction is a potential candidate in the field of nano electronic and optoelectronic devices by optimizing its fabricating procedure.     

Measurements of the Cross-sections of Produced Short-Lived Nuclei Induced by Neutrons around 14 MeV on Isotopes of Tungsten

New experimental cross-section data for the180 W(n,2 n)179 mW,186 W(n,2 n)185 mW and186 W(n,p)186 Ta reactions at the neutron energies of 13.5 and 14.4 MeV are obtained by the activation technique. The neutron beams are produced by means of the3 H(d,n)4 He reaction. The gamma activities of the product nuclei are measured by a high-resolution gamma-ray spectrometer with a coaxial high-purity germanium detector. The neutron fluence is determined using the monitor reaction93 Nb(n,2 n)92 mNb. The results in the current work are discussed and compared with the measurement results found in the literature. It is shown that these higher accuracy experimental cross-section data around the neutron energy of 14 MeV agree with some previous experimental values from the literature within experimental uncertainties.     

一种新型苯并咪唑-酰腙衍生物用于比色和荧光识别F~-和AcO~-

合成出了1个新的苯并咪唑-酰腙衍生物,N'-(2-羟基-1-萘基)亚甲基-2-[2-(4-甲基苯磺酰基甲基)-1H-苯并咪唑-1-基]乙酰肼(L),并利用IR,~1H NMR,~(13)C NMR,HRMS和元素分析对其结构进行了表征.利用裸眼、紫外-可见与荧光光谱研究了L对阴离子的识别性能.研究结果表明,向化合物L的CH_3CN溶液中加入F~-,Ac O~-和H _2PO_4~-后,溶液由无色变为亮黄色.在紫外灯下(λ=365 nm),加入F~-和AcO~-后,L的溶液发射出黄色荧光.表明化合物L可作为裸眼识别F~-,AcO~-和H_2PO_4~-的探针.紫外和荧光光谱实验结果显示,探针L可高选择性和高灵敏性识别F~-和AcO~-.探针L与F~-和AcO~-的结合常数(K_a)分别为4.25×10~3和2.96×10~4 L·mol~(-1),检出限(DL)分别为3.63×10~(-7)和8.51×10~(-8) mol·L~(-1).Job曲线和密度泛函理论(DFT)计算证明,探针L与F~-/AcO~-是1∶1配位.通过~1H NMR滴定确定了探针L与F~-/Ac O~-的络合机理.实验结果表明,化合物L可作为检测F~-和AcO~-的比色和荧光探针.     

胶体金修饰电极测定鱼样中组胺的方法研究

基于胶体金修饰的玻碳电极,利用电流～时间曲线法建立了一种简便、灵敏的组胺检测方法。优化了底液的pH值和组胺的电化学测试方法及条件,考察了修饰电极的电化学性能。结果表明,组胺在胶体金修饰电极上的响应电流(-I,μA)与其浓度(c,μmol/L)在0. 1～64μmol/L范围内呈良好的线性关系,检出限为0. 033μmol/L,在带鱼和黄花鱼样品中的加标回收率分别为94. 4%～106%、91. 8%～106%,相对标准偏差分别为3. 2%、2. 5%。该法操作简单、检测速度快、成本低,适用于带鱼和黄花鱼等鱼样中组胺的测定。     

电阻率与强度性能的关联及铜合金性能分区

铜合金以低电阻率为特征,由于电阻率与强度存在着共同的微观结构机理,两者往往协同变化,而导致难以对合金进行性能的全面评估和选材.本文以Cu-Ni-Mo合金作为研究对象,以团簇结构[Mo_1-Ni_(12)]构建固溶体的近程序结构模型,解析了电阻率和强度依赖于成分的定量变化规律,并定义了拉伸强度/电阻率的值为代表合金本质特性的"强阻比",得到了完全固溶态Cu-Ni-Mo合金的强阻比为7×10~8MPa/?·m,完全析出态的强阻比为(310—490)×10~8MPa/?·m.进而应用强阻比对常用铜合金进行了性能分区,给出铜合金材料选材的依据,得出了基于Cu-(Cr, Zr, Mg, Ag, Cd)等二元基础体系的铜合金适用于高强高导应用,而基于Cu-(Be, Ni, Sn, Fe, Zn, Ti, Al)等为基础二元体系的铜合金不能实现高强高导.该强阻比为310的特征性能分界线的发现为合金性能的全面评估提供了量化依据,可指导高强高导铜合金的选材和研发.     

高温环境下结构模态试验技术

由于高超声速飞行器长时间在大气层内工作会面临恶劣的气动热环境,飞行器结构地面模态试验必须考虑高温影响,但高温环境下结构模态试验远比常规试验复杂,目前仍存在很多技术难点亟待解决.本文首先对高温环境下的结构模态试验技术国内外发展现状进行了综述,详细分析了现有的高温环境下结构模态试验中的激励力与振动响应测量技术的特点及适用性,最后展望了高温环境下结构热模态试验技术的发展方向和研究重点.     

组织忘却对组织惰性的影响研究—–环境动态性与创新导向的调节作用

组织惰性是客观存在于组织机体内的消极行为表现, 对组织的可持续发展产生阻碍作用. 如何克服组织惰性、提升组织效率是组织惰性研究的关键问题. 本文主要探讨了组织忘却对组织惰性的影响作用. 以长三角地区的260个调查样本为研究对象, 对组织忘却与组织惰性的关系进行了分析, 并探讨了环境动态性、创新导向以及环境动态性和创新导向交互在两者之间的调节作用. 结果表明 组织忘却对组织惰性具有显著的负向作用, 环境动态性和创新导向均显著正向地调节了两者之间的负向作用, 环境动态性和创新导向的交互对两者之间的关系具有调节作用, 但调节作用最强的情况出现在环境动态性或创新导向单方面较强, 而非环境动态性和创新导向两者均强时.     

离子导体驱动的介电弹性体软机器研究进展

基于介电弹性体的软机器在柔性机器人、能量收集、柔性电子等领域有着广泛的应用.传统的介电弹性器件由不透明的流体碳膏电极或其他硬材料制作的电子导体来驱动.可拉伸透明离子导体作为电极驱动介电弹性体时,两种软材料互相结合,为软机器提供了一种独特的实现方式.论文综述了离子导体驱动的介电弹性体软机器的近期研究进展,展望了未来的研究方向和存在的问题.     

RV减速器主支撑角接触球轴承混合润滑分析

针对RV减速器角接触球轴承承受预紧力、轴向力和径向力等联合外载荷作用的工况,分析得出了内、外圈滚道接触界面的接触区几何参数和接触载荷.在此基础上,综合考虑了角接触球轴承的接触区宏观几何、接触载荷、真实表面粗糙度、瞬态效应等因素,建立了角接触球轴承混合润滑数学模型,分析了在不同工况下角接触轴承的润滑状况及表面以下应力分布.结果表明:随着载荷的不断增加,钢球与内圈沟道之间的油膜厚度会不断减少,导致干接触面积迅速扩大,接触点表面以下最大应力增大;转速的增加会使油膜变厚,干接触面积缩小.该结果对角接触球轴承的实际工程应用具有重要借鉴意义.