New Supercage Metal–Organic Framework Based on Allopurinol Ligands Showing Acetylene Storage and Separation

To develop efficient adsorbent materials for storage and separation of C₂H₂, an unprecedented supercage MOF, [Me₂NH₂]⋅[Zn₃(ALP)(TDC)_2.5]⋅3.5DMF⋅2 H₂O ( 1 ) was constructed through medicinal molecule allopurinol (ALP) and S-containing 2,5-thiophenedicarboxylic acid (H₂TDC). 1 contains a novel linear trinuclear cluster that is composed by ALP and carboxylates and forms a final uncommon 5-connected yfy topological framework. The framework possesses three types of interlinked cages decorated by rich functional sites, and reveals not only high adsorption capacity for C₂H₂ but also excellent selective separation for C₂H₂/CO₂ and C₂H₂/CH₄ at 298 K. Dynamic breakthrough experiments on C₂H₂/CO₂ (1:1) mixture and C₂H₂/CH₄ (1:1) mixture also demonstrated the potential of the material to separate C₂H₂ from CO₂ or CH₄ mixtures. Molecular simulations were also studied to identify the different CO₂- and C₂H₂- binding sites in 1 , such as carboxylate groups, S atoms and carbonyl groups.     

A second-order artificial compression method for the evolutionary Stokes-Darcy system

Numerical Algorithms - In this paper, we present a second-order decoupled scheme based on the artificial compression method for the time-dependent Stokes-Darcy equations. This method not only...     

固体核磁共振谱学揭示氧化物纳米晶的极性晶面结构

正与暴露非极性晶面的纳米材料相比,暴露极性面的纳米晶通常表现出不同寻常的性质~(1,2)。然而,极性晶面固有的偶极矩会导致表面结构出现多种变化~3,这对准确理解极性晶面结构并建立构效关系带来了巨大的挑战。当前研究晶面结构主要借助的是只能观测样品很小的一部分的电子显微镜技术,且该技术考察较轻的元素(如氢和氧)较为困难,因此亟须发展新的方法研究结构复杂的     

半导体中多光子吸收跃迁速率的全量子理论分析

本文从非线性光学中辐射跃迁速率的表达式出发,在全量子理论下,导出了半导体中任意阶多光子吸收跃迁速率的一般表达式。理论分析结果表明,n光子吸收跃迁速率与光强的n次方和n阶光子相干度成正比。本文在多能带及二能带理论模型下,对多光子吸收跃迁速率的一般表达式进行了化简,并对非线性相互作用项对跃迁速率的贡献,作了讨论。     

二维颗粒气体在堆积过程中的能量耗散

通过高速摄像的方法观测了玻璃颗粒组成的准二维气态颗粒流的冷凝耗散过程,并和理想情况下的均匀耗散的颗粒流体理论作了比较,实验发现气态颗粒部分在耗散堆积过程中近似地满足高斯分布;从动能的结果来看,实际耗散过程和流体理论所预测的不同.实验发现冷凝分为两个阶段：当动能的贡献以气体颗粒为主时,发现颗粒以恒定的速度堆积,动能耗散主要由其中以气态分布的颗粒的沉积速率α,颗粒温度T和气态部分的平动速度ν_g决定;当气态颗粒数目趋向于0,能量耗散主要来自于密堆颗粒的表面层部分 关键词： 离散体系 耗散性     

一种侧链共轭聚噻吩衍生物薄膜的三阶非线性光学响应

合成了一种侧链共轭的聚噻吩衍生物聚3-（5′辛基-噻吩乙烯基）噻吩（POTVTh）,并通过溶液旋涂制备了聚合物薄膜.吸收光谱显示该聚合物薄膜具有较小的禁带宽度和宽的光谱响应.采用Z扫描技术在800 nm下用飞秒激光器研究了该聚合物薄膜的三阶非线性光学特性,非线性吸收系数为5.63×10^-7cm/W,非线性折射率为-6.38×10^-11 cm²/W,三阶非线性极化率为4.21×10^-9esu,比侧链未共轭的 关键词： 聚噻吩衍生物 侧链共轭 三阶非线性极化率 非线性折射率     

On the asymptotic number of inequivalent binary self-dual codes

Let Ψn be the number of inequivalent self-dual codes in . We prove that , where . Let Δn be the number of inequivalent doubly even self-dual codes in . We also prove that .     

Entanglement dynamics in Coriolis coupled rovibrational states of formaldehyde

The entanglement dynamics of two vibrational modes of a polyatomic molecule coupled by Coriolis interaction to overall molecular rotation is studied in terms of two negativities, N(t) and N_s(t), respectively, defined by the minimum of the eigenvalues and by the sum of the negative eigenvalues of the partial transpose of a density matrix. Various initial states are the products of Dicke states and the products of coherent states of vibrations and rotations. Formaldehyde is taken as an example, and the von Neumann entropy s(t) is simulated for the comparison with both negativities. It is shown that negativity N_s(t) is positively correlated with entropy s(t), and the correlated behavior between negativity N(t) and entropy s(t) strongly depends on initial states. However, these three indicators of entanglement display a dominantly positive correlation for the coherent states with small or large parameters. In addition, for the latter state two quantities N(t) and s(t) are nearly unchanged for a long time. This time can be further increased by the increasing of vibrational quantum number so that molecular information processing and quantum computing is allowed. These results are useful in quantum information theory.     

Field—ion microscopy observation of single—walled carbon nanotubes

Field-ion microscopy(FIM),a tool for surface analysis with atomic resolution,has been employed to observe the end structure of single-walled carbon nanotubes(SWCNTs).FIM images revealed the existence of open SWCNT ends,Amorphous carbon atoms were also observed to occur around SWCNTs and traditional field evaporation failed to remove them.Heat treatment was found to be efficacious in altering the end structures of SWCNT bundles.Carbon and oxygen atoms released from heated tungsten filament are believed to be responsible for the decoration imposed on the SWCNT ends.     

第Ⅱ类三态叠加多模叠加态光场等幂次2m+1次方Y压缩

构造了由多模虚相干态|{iZ_j}>_q、多模虚相干态的相反态|{-iZ_j}>_q和多模真空态|{O_j}>_q这三种不同的量子光场态的线性叠加所组成的第Ⅱ类三态叠加多模叠加态光场|ψ₂⁽³⁾>_q.利用多模压缩态理论,研究了态|ψ₂⁽³⁾>_q的广义非线性等幂次2m+1次方Y压缩特性.结果发现:在压缩次数N=2m+1(m=0,1,2,3,…,…)的条件下,只要各模的初始相位和态间的初始相位差分别满足一定的取值条件,态|ψ₂⁽³⁾>_q就可呈现出周期性变化的、任意奇数次的广义非线性等幂次N次方Y压缩效应.