A DFT study of CO<Subscript>2</Subscript> electrochemical reduction on Pb(211) and Sn(112)

Electrochemical reduction of CO2 has the benefit of turning greenhouse gas emissions into useful resources. We performed a comparative study of the electrochemical reduction of CO2 on stepped Pb(211) and Sn(112) surfaces based on the results of density functional theory slab calculations. We mapped out the potential energy profiles for electrochemical reduction of CO2 to formate and other possible products on both surfaces. Our results show that the first step is the formation of the adsorbed formate(HCOO*) species through an Eley-Rideal mechanism. The formate species can be reduced to HCOO- through a oneelectron reduction in basic solution, which produces formic acid as the predominant product. The respective potentials of forming HCOO* are predicted to be -0.72 and -0.58 V on Pb and Sn. Higher overpotentials make other reaction pathways accessible, leading to different products. On Sn(112), CO and CH4 can be generated at -0.65 V following formate formation. In contrast, the limiting potential to access alternative reaction channels on Pb(211) is -1.33 V, significantly higher than that of Sn.     

Altering the Position of Phenyl Substitution to Adjust Film Morphology and Memory Device Performance

In this study, two structural isomers α‐PBT and β‐PBT, which only differ in the phenyl substituent position on the quinoline chromophore, have been designed and successfully synthesized. The influences of substituent position on the film morphology and the storage performance of the devices were investigated. Both molecules employed in the memory devices exhibited same nonvolatile binary (write‐once‐read‐many‐times; WORM) characteristics, but the switch threshold voltage (Vth) of the β‐PBT‐based device was clearly lower than that of the α‐PBT‐based device. Simulation results demonstrate that the variation of the phenyl substituent position led to different intermolecular stacking styles and thus to varied grain sizes for each film morphology. This work illustrates that altering the phenyl substituent position on the molecular backbone could improve the quality of the film morphology and reduce power consumption, which is good for the rational design of future advanced organic memory devices (OMDs).     

离子色谱的抑制系统及相关技术的发展

抑制系统是抑制型(双柱型)离子色谱系统极为重要的一个组成部分,也是离子色谱有别于其它类型的液相色谱的最重要特点之一。抑制器的发展经历了多个发展时期,而目前商品化的离子色谱仪亦分别采用不同形式的抑制手段。近年来,还发展了一些特殊的辅助抑制器,如接在抑制器后面CO2除去装置,用于提高被测离子的信号或进一步降低背景电导值。     

Banach空间中一类二阶具阻尼项的积分-微分包含的可控性

本文讨论了一类二阶具阻尼项的积分-微分包含问题.利用集值不动点定理将问题转化为求不动点问题,进而得到系统可控性的充分条件.     

SL(n+1,R)/S(GL(1,R)×GL(n,R))上线丛的一个超几何方程

本文研究了伪黎曼对称空间SL（n+1,R）/S（GL（1,R）×GL（n,R））线丛上的微分方程.利用李代数方法,即Casimir算子得到这个微分算子.这个微分算子是一个超几何方程,这个结论推广了文献[1,3,5]中的微分方程.     

Rough path properties for local time of symmetric α stable process

In this paper, we first prove that the local time associated with symmetric $\alpha$-stable processes is of bounded $p$-variation for any $p>\frac{2}{\alpha ?1}$ partly based on Barlow’s estimation of the modulus of the local time of such processes.  The fact that the local time is of bounded $p$-variation for any $p>\frac{2}{\alpha ?1}$ enables us to define the integral of the local time ${\int }_{?\infty }^{\infty }{?}_{?}^{\alpha ?1}f\left(x\right)d_x{L}_t^x$ as a Young integral for less smooth functions being of bounded $q$-variation with $1\le q<\frac{2}{3?\alpha }$. When $q\ge \frac{2}{3?\alpha }$, Young’s integration theory is no longer applicable. However, rough path theory is useful in this case. The main purpose of this paper is to establish a rough path theory for the integration with respect to the local times of symmetric $\alpha$-stable processes for $\frac{2}{3?\alpha }\le q<4$.     

GARCH(1,1)模型的稳健估计比较及应用

首先阐述了GARCH(1,1)模型稳健估计的构造方法,然后在模型有无异常值扩散效应约束和异常值比例不同的情况下,比较了传统QMLE估计和多种稳健M估计的表现,结果表明:在数据无异常值下,QMLE估计较优;随着异常值比例增加,稳健Andrew估计表现更好;模型施加异常值扩散效应约束对估计有一定改善但不显著.最后选取波动程度不同的两个阶段沪深300指数的收益率,用模型拟合进行了实例比较,在波动程度较大时,Andrew估计效果较优,在波动相对平稳时,LAD估计较优.     

基于随机微分博弈的动态投入产出问题研究

基于W Leontief提出的动态投入产出模型,讨论了考虑随机因素的离散时间下的最优策略设计问题.利用博弈论的思想,把动态投入产出系统抽象为离散时间的博弈模型,运用鞍点均衡策略设计出求解该投入产出问题的新方法,为宏观经济决策提供依据.     

一种基于校正无线电传播时间的室内三维定位模型

对室内终端进行基于无线通信基站的三维定位时,由于无线电在传播过程中,存在建筑物或树木遮挡、反射、折射等物理现象,导致基站到终端传播时间的测量值与精确值之间存在误差.为了减少上述误差对定位精度的影响,运用无线定位原理建立了一种基于校正无线电传播时间的改进的室内三维定位模型.通过对2016年全国研究生数学建模问题C题所提供的不同场景的数据分析,发现基站与终端无线电传播时间的测量值与其精确值之间存在线性关系,而且同一场景下近似有相同的线性关系,场景不同线性关系一般不同.基于这一现象,对基本的定位模型进行了合理的修正形成了改进的定位模型,数值实验表明改进的定位模型有很好的定位精度和鲁棒性.     

Davey-Stewartson系统粗糙爆破解的极限行为

研究了Davey-Stewartson系统(简记为D-S系统)粗糙爆破解的动力学性质.所谓粗糙爆破解即为正则性为H~s(s1)的爆破解,此时D-S系统粗糙解不再满足能量守恒率.利用I-方法与Profile分解理论,得到了D-S系统粗糙爆破解在H~s(R~2)(其中ss_0,且s_0≤(1+11~(1/2))/5≈0.8633)中的极限行为,包括L~2强极限的不存在性与L~2集中性质以及极限图景.