一种蓝色聚合物激光材料

聚合物作为一种有机发光材料,由于在平板显示和光电子器件中的良好应用前景而受到广泛研究［１～２］．近年来,一个重要进展是在聚合物中观测到了受激发射（简称Ｐｏｌｙ－ｍｅｒ激光）现象［３～６］．Ｐｏｌｙｍｅｒ激光最早是在溶液中实现的［３～４］．作为一种新型...     

Structural and electronic properties of cobalt carbide Co2C and its surface stability: Density functional theory study

Density functional theory calculations have been performed to investigate the structural and electronic properties of bulk Co₂C and the stability of low index Co₂C surfaces. We found that the formation of Co₂C is exothermic with the formation energy of ? 0.81 eV/Co₂C with respect to Co under the presence of syngas (mixture of CO and H₂). While formed Co₂C can be decomposed further to metal Co and graphite carbon with modest energy gain of 0.37 eV/Co₂C. This suggests that Co₂C is only metastable in Fischer–Tropsch synthesis, which agrees well with experimental findings. The density of states (DOSs) reveals that the Co₂C is paramagnetic and strong metallic-like. The difference of charge density analysis indicates that the bond of Co₂C is of the mixtures of metallic, covalent, and ionic properties. A variety of low index Co₂C surfaces with different terminations are studied. We find that the surface energy of low index stoichiometric Co₂C highly relies on the surface area, the number of coordination of surface atoms and the surface dipole, with the decreased stability order of (101) > (011) > (010) > (110) > (100) > (001) = (111). Our results indicate that under Co-poor condition, the formation of non ? stoichiometric surface (011) and (111) without terminated cobalt is energetically more favorable, while under Co-rich condition the formation of non ? stoichiometric (111) surface with cobalt overlayer are preferential.     

理解全球化：基于“经济−社会−政治”体系共生演化视角的分析

20世纪80年代以来,一波超级全球化席卷全球。当今世界进入了百年未有之大变局,全球化陷入困境。应当如何理解当前的全球化困境？百年未有之大变局究竟变在何处？为此,可以从经济学、政治学、社会学与国际关系的综合视角,构建“经济−社会−政治”为一体的、动态演化的框架,以理解当今世界全球化的深层次矛盾。近一波全球化过程中全球经济力量与收入分配格局发生了变化,出现了发达经济体的经济停滞和新兴经济体的赶超,也导致了社会各阶层和不同社会群体的收入和财富差距发生巨变。全球化中全球经济基础的变化,即全球化中的全球经济力量格局变迁与收入分配恶化将对各国的经济和社会基础产生重大影响,进而影响上层建筑：国家的主导思想和意识形态。一个国家在国际关系和经济政策领域主导思想的演变,势必影响其对外战略和政策选择,进而影响本国的经济走向乃至全球化的历史进程。     

Monoterpenoid Indole Alkaloids with Promoting Neurite Growth from Tabernaemontana divaricata

Main observation and conclusion Phytochemical investigations on Tabernaemontana divaricata led to the isolation of seven undescribed monoterpenoid indole alka-l...     

Highly efficient toughening effect of ultrafine full-vulcanized powdered rubber on poly(lactic acid)(PLA)

A unique ultrafine full-vulcanized powdered ethyl acrylate rubber (EA-UFPR) was used as the toughening modifier for poly (lactic acid) (PLA). Largely improved tensile toughness was successfully achieved with the incorporation of only 1 wt% EA-UFPR, while the tensile strength and modulus of the blends were almost the same as pure PLA. The highly efficient toughening of PLA by UFPR is mainly ascribed to the strong interfacial interaction between PLA and UFPR and good dispersion of UFPR particles in PLA matrix. Our work provides an effective toughening method to largely improve the mechanical properties of PLA without sacrificing its stiffness, which is very important for the wide application of PLA materials.     

Computational studies on 3,5,7,10,12,14,15,16-octanitro-3,5,7,10,12,14,15,16-octaaza-pentacyclo[7.5.1.12,8.04,13.06,11]hexadecane as potential high-energy-density compound

The B3LYP/6-31G(d) method of density functional theory was used to study molecular geometry, electronic structure, infrared spectrum, and thermodynamic properties. Detonation properties were evaluated using Kamlet–Jacobs equations based on the calculated density and heat of formation. Thermal stability of 3,5,7,10,12,14,15,16-octanitro-3,5,7,10,12,14,15,16-octaaza-pentacyclo[7.5.1.1^2,8.0^4,13.0^6,11]hexadecane (cage-HMX) was investigated by calculating the bond dissociation energy at unrestricted B3LYP/6-31G(d) level. The calculated results show that the first step of pyrolysis is the rupture of the N–NO₂ bond. The crystal structure obtained by molecular mechanics belongs to P2₁ space group, with lattice parameters a = 8.866 Å, b = 11.527 Å, c = 13.011 Å, Z = 4, and ρ = 2.219 g cm^?3. Both the detonation velocity of 9.79 km s^?1 and the detonation pressure of 45.45 GPa are better than those of CL-20. According to the quantitative standard of energetics and stability as a high-energy-density compound, cage-HMX essentially satisfies this requirement. These results provide basic information for molecular design of novel HEDCs.     

A new method for the determination of the 34S/32S ratio of water-soluble sulphur in soil

A new method for the determination of the ³⁴S/³²S ratio of water-extractable sulphate in soil is described. Soils are extracted directly with deionized water, which is evaporated down. The remaining residue is then rehydrated and transferred to tin cups containing an adsorbent and mixed with an oxygen donor (V₂O₅). Samples are then analysed using a continuous flow isotope ratio mass spectrometer. The new method requires around 10?g soil per determination, compared to much larger amounts (up to kilograms) of soil required for the previous methods. Sample preparation and subsequent analysis is quick and efficient. The method is demonstrated using a number of soils collected from around the world to provide a range of determined δ³⁴S values. The δ³⁴S values of water-extractable sulphur were broadly similar to those of the soil total sulphur.