供应链视角下的增值税改革影响研究

构建了一个制造商和一个零售商所组成的两级供应链模型,研究增值税税率下调对供应链决策和社会福利的影响.结果表明,下调制造商、零售商增值税税率都会使产品零售价降低,提高零售商和制造商的利润.下调增值税税率给制造商带来的利润增量大于给零售商带来的利润增量.制造商税率下调导致批发价降低,零售商税率下调反而提高批发价.社会福利的变化趋势与潜在需求规模有关.当潜在需求规模较高时,社会福利总是随降税幅度的增大而增大,且税率降低后的社会福利大于税率降低前;当潜在需求规模中等时,社会福利随降税幅度的增大而减小,但税率降低后的社会福利仍大于税率降低前;当潜在需求规模较小时,社会福利随降税幅度的增大而减小,增值税税率下调损害了社会福利.     

Na、Lu掺杂Mg2Si的电子结构及光学性质的第一性原理计算

采用基于密度泛函理论的第一性原理赝势平面波方法,研究了未掺杂Mg2Si以及Na、Lu掺杂Mg2Si的电子结构和光学性质.计算结果表明:Na掺杂Mg2Si后,费米能级进入价带,呈p型导电;Lu掺杂Mg2Si后,费米能级进入导带,呈n型导电.未掺杂Mg2Si对于能量低于0.5eV的光子几乎不吸收,但Na、Lu掺杂的Mg2Si对于能量低于0.5eV的光子还存在较大的吸收,即Na、Lu掺杂改善了Mg2Si对红外光子的吸收.掺杂后,可见光区的吸收系数与反射率明显减小,这说明掺杂的Mg2Si在可见光区的透过率增大.计算结果为Mg2Si 基光电器件的设计与应用提供了理论依据.     

密度泛函理论方法研究填料表面对聚合物摩擦化学的影响

采用超声分散法制备出氧化铝、高岭土、氧化硅/聚四氟乙烯复合材料, 使用线性往复摩擦磨损试验机对比三种复合材料的摩擦学性能. 结果表明 质量分数10%的氧化铝、高岭土能将聚四氟乙烯的磨损率降低约4个数量级, 而氧化硅仅能降低约3个数量级. 对金属对偶表面形成的转移膜的形貌和化学成分进行分析发现 氧化铝、高岭土/聚四氟乙烯在金属对偶面上形成了高度羧酸盐化的转移膜. 用密度泛函理论对三种填料表面上碳氟分子吸附过程进行模拟, 结果显示氧化铝、高岭土表面的路易斯酸性位点促进了碳氟分子的脱氟过程, 产生了更多的羧酸螯合物的中间产物; 氧化硅缺少路易斯酸性位点, 因此不能促进高度羧酸盐化的转移膜形成.     

Injectable and self-healing hydrogels with tissue adhesiveness and antibacterial activity as wound dressings for infected wound healing

The design of wound dressings with excellent self-healing ability, adequate adhesion, good biocompatibility, and potential antibacterial ability is of great significance for the healing of infected wounds arising from human activities. Herein, a series of multi-functional hydrogel dressings, poly(ionized isocyanoethyl methacrylate-glutamine)/poly(hexamethylene guanidine) (iG_x/PHMG_y) hydrogels, were obtained through homopolymerization of fully ionized isocyanoethyl methacrylate-glutamine (iIEM-Gln) in the presence of poly(hexamethylene guanidine) (PHMG), in which strong hydrogen bonds were formed among urea groups in the P (iIEM-Gln) chain to form a stable hydrogel network. The prepared iG_x/PHMG_y hydrogels exhibited adequate self-healing ability and tissue adhesion, which could be firmly adhered to the wound surface and remained intact during application. In addition, the presence of PHMG imparted good antibacterial activity to the hydrogels for the effective promotion of the wound healing in S. aureus infected skin wound on mice. Overall, this multi-functional hydrogel provides a facile and effective strategy for the design of infected wound dressings, and may show great potential in clinical applications.     

An improved evaluation of the neutron background in the PandaX-Ⅱ experiment

In dark matter direct detection experiments,neutron is a serious source of background,which can mimic the dark matter-nucleus scattering signals.In this paper,we present an improved evaluation of the neutron background in the PandaX-II dark matter experiment by a novel approach.Instead of fully relying on the Monte Carlo simulation,the overall neutron background is determined from the neutron-induced high energy signals in the data.In addition,the probability of producing a dark-matter-like background per neutron is evaluated with a complete Monte Carlo generator,where the correlated emission of neutron(s)andγ(s)in the(α,n)reactions and spontaneous fissions is taken into consideration.With this method,the neutron backgrounds in the Run 9(26-ton-day)and Run 10(28-ton-day)data sets of PandaX-II are estimated to be(0.66±0.24)and(0.47±0.25)events,respectively.     

Ionic Conductivity of β‐Cyclodextrin–Polyethylene‐Oxide/Alkali‐Metal‐Salt Complex

Highly conductive, crystalline, polymer electrolytes, β‐cyclodextrin (β‐CD)–polyethylene oxide (PEO)/LiAsF₆ and β‐CD–PEO/NaAsF₆, were prepared through supramolecular self‐assembly of PEO, β‐CD, and LiAsF₆/NaAsF₆. The assembled β‐CDs form nanochannels in which the PEO/X⁺ (X=Li, Na) complexes are confined. The nanochannels provide a pathway for directional motion of the alkali metal ions and, at the same time, separate the cations and the anions by size exclusion.     

单层MXene纳米片Ti2N电磁特性的过渡金属(Sc、V、Zr)掺杂效应

二维材料MXene纳米片由于具有较大的比表面积和较高的电子迁移率而受到广泛的关注。本文采用基于密度泛函理论的第一性原理计算,对单层MXene纳米片Ti₂N电磁特性的过渡金属(Sc、V、Zr)掺杂效应进行了系统研究。结果表明,所有过渡金属掺杂体系结合能均为负值,结构均稳定;其中Ti₂N-Sc体系的形成能为-2.242 eV,结构更易形成,且保持稳定;掺杂后Ti₂N-Sc、Ti₂N-Zr体系磁矩增大;此外,Ti₂N-Sc体系中保留了较高的自旋极化率,达到84.9%,可预测该体系在自旋电子学中具有潜在的应用价值。     

氧化铝包覆层对甲烷燃烧反应钯催化剂活性结构的稳定作用

<正>甲烷具有高的温室效应,因此天然气应用过程尾气中甲烷的消除是一个迫切和亟待解决的环境问题~1。Pd基催化剂广泛应用于催化甲烷燃烧反应,并且表现出显著的结构敏感性~2。实验和理论计算研究结果均表明Pd-Pd Ox界面表现出最高的催化甲烷燃烧活性~(3,4)。但是,在强放热甲烷燃烧反