A relativistic density functional study of gaseous uranium tetrahalides

The molecular structures and vibrational frequencies of gaseous UX₄ (X = F, Cl, Br and I) molecules have been investigated using generalized gradient approximation (GGA) functions (BP, BLYP, PBE and RPBE) with triple-zeta polarized (TZP) basis set. Scalar relativistic effects are introduced via the zeroth-order regular approximation (ZORA) approach to the Dirac equation in the present study. Of the methods examined here the RPBE has the best performance in terms of the errors compared with experiment and reference for the vibrational frequencies. The bond dissociation energies (BDE) for U–X bonds in the UX₄ were obtained using the RPBE method, and are in good agreement with experimental values. In addition, satisfactory calculated entropies of UX₄ have also been obtained at temperatures ranging from 600 to 1200 K in 50 steps using the same method.     

偏振法测葡萄糖浓度的光强分析简

通过对旋光仪三分视场内的光强分析,对“零度视场”法和“三分视场明暗对比最大”的方法进行了详细的讨论。结果表明,采用“三分视场明暗对比最大”法在多数情况下更适合人眼感光定标,可以保证测量数据精度。“零度视场”法只在相位延迟角较小,三分视场由中间暗、两边亮变化到中间亮、两边暗过程中适用性较好。     

Economic scheme for remote preparation of an arbitrary five-qubit Brown-type state

A scheme for remotely preparingan arbitrary five-qubit Brown state by using three three-qubit GHZ states as the quantum channel is proposed. It is shown that, after the sender performs two different three-qubit projective measurements, the receiver should introduce two auxiliary qubits and employ suitable C-NOT gates, Toffoli gate and unitary operations on his qubits, the original state can be recovered with unit probability. Compared with the previous scheme, the advantage of the present scheme is that the entanglement resource can be reduced.     

厚度诱导的YBa2Cu3O7-δ超导薄膜剩余应力及临界电流变化

本文通过脉冲激光沉积法制备了不同厚度(80nm、320nm、1000nm和2000nm)的YBa2Cu3O7-δ(YBCO)超导薄膜,对它们的剩余应力和临界电流特性进行了对比研究.通过系列的激光显微Raman光谱和磁化曲线测量分别获得了薄膜剩余应力和磁化临界电流密度(Jc)对薄膜厚度的依赖关系.结果显示超导薄膜内剩余应力越小,Jc越高.对于中等厚度的薄膜样品(320nm和1000nm),其膜内剩余应力较小,同时由其特征的磁通匹配场大小推知在该厚度范围内的样品具有较高的线性缺陷密度,从而显示出较高的Jc值.     

Poly(aryl ether ketone) composite membrane as a high‐performance lithium‐ion batteries separator

We described the design and synthesis of a modified poly(aryl ether ketone) bearing phenolphthalein and allyl groups (P‐PAEK) via nucleophilic polycondensation. A new kind of composite separator, crosslinked P‐PAEK/polyvinylidene fluoride (c‐P‐PAEK/PVDF) membrane was successfully prepared using phase separation, phase inversion method, and UV crosslinking technique. As a separator of lithium‐ion battery, c‐P‐PAEK/PVDF membrane demonstrates high porosity and uniform distribution of pores with interconnected pathways. Low thermal shrinkage, distinct shut‐down effect, high liquid electrolyte uptake capacity, and exciting liquid electrolyte wettability of the prepared c‐P‐PAEK/PVDF membrane have been revealed through comprehensive study. Moreover, the c‐P‐PAEK/PVDF membrane was applied to assemble a conventional Li/LiFePO₄ coin cell, which exhibited hopeful cell performance. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 2714–2721     

FeNi Alloy Nanoparticles Encapsulated in Carbon Shells Supported on N-Doped Graphene-Like Carbon as Efficient and Stable Bifunctional Oxygen Electrocatalysts

The development of cost-effective and durable oxygen electrocatalysts remains highly critical but challenging for energy conversion and storage devices. Herein, a novel FeNi alloy nanoparticle core encapsulated in carbon shells supported on a N-enriched graphene-like carbon matrix (denoted as FeNi@C/NG) was constructed by facile pyrolyzing the mixture of metal salts, glucose, and dicyandiamide. The in situ pyrolysis of dicyandiamide in the presence of glucose plays a significant effect on the fabrication of the porous FeNi@C/NG with a high content of doped N and large specific surface area. The optimized FeNi@C/NG catalyst displays not only a superior catalytic performance for the oxygen reduction reaction (ORR, with an onset potential of 1.0 V and half-wave potential of 0.84 V) and oxygen evolution reaction (OER, the potential at 10 mA cm⁻² is 1.66 V) simultaneously in alkaline, but also outstanding long-term cycling durability. The excellent bifunctional ORR/OER electrocatalytic performance is ascribed to the synergism of the carbon shell and FeNi alloy core together with the high-content of nitrogen doped on the large specific surface area graphene-like carbon.     

Hypercoal对不同炼焦煤炭化改质作用的显微镜研究

Hypercoal(HPC)被作为一种添加剂加入到两种性质不同的炼焦煤中,以探讨其对炼焦煤炭化的改质作用。通过偏光显微镜以及扫描电镜观测炭化产物的组织结构变化。结果表明,添加剂的用量以及粒径对炼焦煤炭化改质作用的大小与原料煤的煤质有关,对焦煤改质时要求添加剂颗粒的粒径较大;而对弱黏结性煤改质时,添加剂粒径较小且添加量较多更有利于黏结和熔融作用。通过添加HPC可改善焦煤因过度膨胀造成的不均匀孔隙结构,而且孔的数量与孔径减小,孔壁增厚;添加剂在炭化过程中产生的胶质体促进了弱黏结性煤的黏结和熔融,改善了炭化产物的结构。实验还考察了原料中水分、成型压力等因素对炭化产物结构的影响。结果表明,煤中水分会在炭化产物中产生特殊的孔隙结构,而成型压力对炭化改质作用则因原料煤质不同而不同。     

Extinction Effects of Multiplicative Non-Gaussian L′evy Noise in a Tumor Growth System with Immunization

The extinction phenomenon induced by multiplicative non-Gaussian Levy noise in a tumor growth model with immune response is discussed. Under the influence of the stochastic immune rate, the model is analyzed in terms of a stochastic differential equation with multiplicative noise. By means of the theory of the infinitesimal generator of Hunt processes, the escape probability, which is used to measure the noise-induced extinction probability of tumor cells, is explicitly expressed as a function of initial tumor cell density, stability index and noise intensity. Based on the numerical calculations, it is found that for different initial densities of tumor cells, noise parameters play opposite roles on the escape probability. The optimally selected values of the multiplicative noise intensity and the stability index are found to maximize the escape probability.     

一例具有单分子磁体行为的单核钴-氮氧自由基异自旋配合物

合成并表征了一例2p-3d异自旋配合物[Co （hfac）₂（NIT-PyzMe-PhCHO）]（1），其中hfac=六氟乙酰丙酮，NIT-PyzMe-PhCHO=2-（3-（1H-咪唑-1-亚甲基）苯甲醛）-4，4，5，5-四甲基咪唑啉-1-氧基-3-氧化物。配合物1是单核结构，Co^Ⅱ离子与直接配位的氮氧基团之间存在强的反铁磁耦合。此外，与磁弛豫相关的频率依赖的虚部信号证实了其单分子磁体行为。