Reversibly Switching the Charge State and Adsorption Location of A Single Potassium Atom on Ultrathin CuO Films

Potassium (K) cations are spontaneously formed upon thermal deposition of low‐coverage K onto an ultrathin CuO monolayer grown on Cu(110) and they were explored by low‐temperature scanning tunneling microscopy (STM) and X‐ray photoemission spectroscopy. The formed K cations are highly immobile and thermally stable. The local work function around an individual K cation decreases by 1.5±0.3 eV, and a charging zone underneath it is established within about 1.0 nm. The cationic and neutral states of the K atom are switchable upon application of an STM bias voltage pulse, which is simultaneously accompanied by an adsorption site relocation.     

多级孔ZSM-5分子筛的制备及催化噻吩烷基化性能研究

用不同浓度的Na₂CO₃溶液处理ZSM-5分子筛,采用XRD、XRF、SEM、N₂吸附脱附及NH₃-TPD方法对处理前后的ZSM-5分子筛进行表征,并考察了Na₂CO₃溶液处理对ZSM-5分子筛孔结构、酸性以及噻吩烷基化性能的影响。结果表明,Na₂CO₃溶液处理在保持ZSM-5分子筛微孔骨架结构的同时,增加了ZSM-5分子筛的比表面积、外表面积和介孔体积,并调变了酸性。Na₂CO₃溶液处理提高了ZSM-5分子筛催化剂的噻吩烷基化活性和噻吩选择性。一定反应条件下,随着Na₂CO₃溶液浓度增加,多级孔ZSM-5分子筛的噻吩烷基化性能逐渐提高,而噻吩选择性先增加后下降。当Na₂CO₃溶液浓度为2 mol/L时,分子筛的噻吩转化率和噻吩选择性分别为81.26 %和73.15%。当Na₂CO₃溶液浓度为3 mol/L时,噻吩转化率和选择性分别为90.57 %和72.59%。     

海藻多糖的组成及结构光谱分析

海藻多糖具有抗凝血等多种生物活性,其活性与多糖的组成结构有关。本文对近年来红藻、褐藻及少量绿藻多糖的单糖组成及含量研究以及FT-IR和12^C NMR两种主要光谱手段对多糖结构研究的结果进行了介绍。     

MoO3和Nb2O5助剂对Pt/ZrO2催化剂上短链烷烃燃烧反应的不同促进作用

贵金属Pt催化剂具有高活性和热稳定性,广泛应用于催化挥发性有机物的完全氧化反应(燃烧反应).短链烷烃(甲烷、乙烷、丙烷等)化学性质稳定,是最难氧化的一类有机物,常用作考察燃烧反应催化剂性能的模型反应物.然而,目前报道的研究工作通常仅限于针对某一种烷烃底物的催化燃烧,系统考察催化剂以及助剂对不同短链烷烃的催化燃烧活性鲜有报道.在短链烷烃中,甲烷只有C–H键;而其它烷烃除了C–H键;还有C–C键.因此,研究催化剂对甲烷、乙烷和丙烷燃烧反应催化性能的差异性,对于认识催化剂上C–H键和C–C键的活化具有非常重要的意义.本文制备了MoO3或Nb2O5修饰的Pt/ZrO2催化剂并用于短链烷烃的燃烧反应.研究发现,MoO3助剂对甲烷燃烧有明显的抑制作用,但对乙烷,丙烷和正己烷燃烧反应具有促进作用,促进作用随着烷烃碳链的增长逐渐增加;Nb2O5助剂对甲烷、乙烷、丙烷和正己烷燃烧反应均具有促进作用,然而促进作用随着碳链的增长而逐渐减弱.MoO3和Nb2O5助剂的不同促进作用与助剂影响催化剂表面酸性以及Pt物种的氧化或还原态有关.NH3-TPD结果表明,MoO3助剂可以显著增加Pt/ZrO2催化剂表面强酸位点数量,而Nb2O5助剂可以显著增加Pt/ZrO2催化剂表面中强酸位点数量.HTEM结果表明,两种助剂的添加都不会明显改变Pt物种的颗粒尺寸.在Pt-Mo/ZrO2催化剂上,MoO3覆盖部分Pt物种形成丰富的Pt-MoO3界面,促进了金属Pt物种和强表面酸性位点的生成,提高了丙烷燃烧反应活性;Pt-Nb/ZrO2催化剂上载体表面的部分Nb2O5被Pt物种包覆,使得生成的表面Pt-Nb2O5界面低于Pt-Mo/ZrO2催化剂,但由于催化剂表面酸性位的提升,也促进了丙烷燃烧反应活性的提高.XPS结果表明,在甲烷燃烧反应中,Pt-Nb/ZrO2催化剂上Ptn+物种能够更加稳定地存在,这可能是Nb2O5助剂提高Pt-Nb/ZrO2催化剂上甲烷燃烧活性的关键.而Pt-Mo/ZrO2催化剂上Ptn+物种在甲烷反应中可以更容易地被还原,并且由于MoO3的包裹导致暴露的Pt位点数量降低,使催化剂催化甲烷燃烧的活性受到抑制.可见,MoO3助剂更有利于C–C键活化,而Nb2O5助剂更有利于高键能的C–H键活化.综上,本文系统性地研究MoO3助剂和Nb2O5助剂对Pt/ZrO2催化剂上不同短链烷烃的燃烧反应的影响,证实了两种助剂的促进作用与碳链长度的关系是截然不同的.     

制备型高效液相色谱在天然产物分离中的应用

制备型高效液相色谱法在天然产物的分离纯化中得到广泛应用。从制备型高效液相色谱法的技术分类及其在天然产物研究中的实际应用方面对目前国内外制备型高效液相色谱技术研究现状进行了综述,对其发展动态进行了展望。     

飞机撞击建(构)筑物研究进展

飞机撞击重要建(构)筑物会导致灾难性后果。本文从试验研究、理论分析、数值模拟等3个方面对飞机撞击建(构)筑物的国内外研究现状,相关研究难点、需要注意的问题和研究方向及趋势进行总结,包括:缩比试验的系统和验证,飞机撞击力模型,撞击所致局部破坏计算公式,飞机和建(构)筑物的精细化建模,撞击所致振动特性,撞击荷载和火荷载对结构的耦合毁伤效应,一般模型和精细化模型、解耦和耦合方法以及不同数值模拟程序计算结果的对比分析等方面,以期为后续研究提供参考。     

A physical mechanism based investigation on the elasto-plastic-damage behavior of anisotropic aluminum alloys under finite deformation

The elasto-plastic-damage behavior of anisotropic aluminum alloys is investigated under finite deformation using a physical mechanism based constitutive model. With an application to the structural calculation, the present model is used to describe and analyze the mechanical response of anisotropic 6260-T6 aluminum alloy extrusions. For the tensile specimens extracted along three different material orientations from the extruded aluminum profile, twelve simulations are carried out covering four different specimen geometries. The simulation results in force-displacement response and central logarithmic axial strain evolution are compared with experimental results. From the comparisons, it can be concluded that the present model has the capacity to describe the behavior of anisotropic material. From the force-displacement curves, the anisotropy is observed in different material orientations, and the physical mechanism of anisotropy is analyzed.     

离子交换法分离乳酸的连续流动板模型

本文对乳酸在D354树脂上的离子交换行为进行了详细的研究，并在乳酸的超摩尔离子交换等温线方程的基础上，进一步采用简单的连续流动板模型对乳酸的固定床离子交换行为进行描述，模型拟合结果与实验值能较好的符合。     

左右手系材料界面处全反射行为的特性

基于电磁场理论，推导了左右手系材料界面处发生全反射时的物理特性，分析了相位变化情况.提出利用左右手系材料构成周期性结构，观测全反射时介质中隐失波干涉的实验设想，并从理论上计算了干涉条纹的分布. 关键词： 左手材料 负折射率 全反射 隐失波     

Efficient inverse radiation analysis of temperature distribution in participating medium based on backward Monte Carlo method

An efficient numerical inverse radiation analysis based on the backward Monte Carlo (BMC) method is presented to determine the three-dimensional (3-D) temperature distribution in a large rectangular enclosure containing the participating medium, using radiative intensities in the visible range received by charge-coupled device (CCD) cameras. For large radiative sources and small detectors, when the radiation onto a small spot and onto a small direction cone is desired, the BMC method is more efficient than the forward Monte Carlo (FMC) method. Because the temperature reconstruction from the measured radiative intensities is an ill-posed inverse problem, least-square QR decomposition (LSQR) method is introduced to determine the meaningful temperature distribution. In order to gain insight into the effects on the accuracy of temperature distribution reconstruction, the detailed analyses are made using numerical simulations. The results show that the temperature distribution can be reconstructed accurately for the exact and noisy data.