Effects of Edge Oxidation on the Stability and Half‐Metallicity of Graphene Quantum Dots

A comprehensive first‐principles theoretical study of the electronic properties and half‐metallic nature of zigzag edge‐oxidized graphene quantum dots (GQDs) is carried out by using density functional theory (DFT) with the screened exchange hybrid functional of Heyd, Scuseria and Ernzerhof (HSE06). The oxidation schemes include ‐OH, ‐COOH and ‐COO groups. We identify oxidized GQDs whose opposite spins are localized at the two zigzag edges in an antiferromagnetic‐type configuration, showing a spin‐polarized ground state. Oxidized GQDs are more stable than the corresponding fully hydrogenated GQDs. The partially hydroxylated and carboxylated GQDs with the same size exhibit half‐metallic state under almost the same electric‐field intensity whereas fully oxidized GQDs behave as spin‐selective semiconductors. The electric‐field intensity inducing the half metal increases with the length of the partially oxidized GQDs, ranging from M=4 to 7.     

激光天线设计与光斑保持的角量法原理

为了满足船舶激光多环检测和自动跟踪目标多环补偿技术匹配天线的需要,用简便的角量法设计了激光天线.通过三次代数方程进行天线主镜和副镜的设计,并通过检测误差信号对角量的控制来调节主、副镜的双镜距以达到激光传播过程中光斑保持稳定不变.设计原理与实验数据符合,适用于工程应用.     

Characterization and catalytic behavior of La2 - x (Sr, Th)xCuO4 ± λ in reaction NO+CO

Two mixed oxide systems La₂-_xSr_xCuO_{4± λ} (0.0⩽x⩽1. 0) and La_2-xTh_xCuO_{4± λ} (O. O⩽x⩽ 0.4) with K₂NiF₄ structure were prepared by varyingx values. Their crystal structures were studied by means of XRD and IR spectra. The average valence of Cu ion at B site, nonstoichiometric oxygen (λ) and the chemical composition in the bulk and on the surface of the catalysts were measured by means of chemical analysis and XPS. The catalytic behavior in reaction CO+NO was investigated under the regular change of average valence of Cu ion at B site and nonstoichiometric oxygen (λ). Meanwhile, the adsorption and activation of the small molecules NO and the mixture of NO+CO over the mixed oxide catalysts were studied by means of MS-TPD. The catalytic mechanism of reaction NO+CO over these oxide catalysts were proposed; and it has been found that, at lower temperatures the activation of NO is the rate determining step and the catalytic activity is related to the lower valent metallic ion and its concentration, while at higher temperatures the adsorption of NO is the rate determining step and the catalytic activity is related to the oxygen vacancy and its concentration. Project supported by the National Natural Science Foundation of China.     

PREPARATION OF POLYMER MICROSPHERES WITH PYRIDYL GROUP AND THEIR STABILIZED GOLD METALLIC COLLOIDS

Narrow disperse poly(ethyleneglycol dimethacrylate-co-4-vinylpyridine)(poly(EGDMA-co-4-VPy))microspheres were prepared by distillation-precipitation copolymerization of ethyleneglycol dimethacrylate(EGDMA)and 4-vinylpyridine (4-VPy)with 2,2'-azobisisobutyronitrile(AIBN)as initiator in neat acetonitrile.The polymer microspheres containing pyridyl group were then utilized as stabilizer for gold metallic colloids with the diameter around 7 nm,which were prepared by the in situ reduction of gold chloride trihydrate with sodium borohydride through the coordination of the pyridyl group on the gel layer and surface of the microsphere with the gold metallic nano-particles.The catalytic properties of the pyridyl- functionalized microsphere-stabilized gold metallic colloids and the behavior of the stabilized-catalyst for the recycling were investigated with reduction of 4-nitrophenol to 4-aminophenol as a model reaction.     

氮掺杂纳米管包覆金属钴催化苯甲醇和苯胺一步N-烷基化反应

通过直接热解三聚氰胺、硝酸钴和葡萄糖混合物制备氮掺杂碳纳米管包覆金属钴催化剂(Co@NCNT).Co@NCNT具有较大的比表面积、均匀的氮分布以及包覆结构.在苯甲醇和苯胺一步法N-烷基化反应中Co@N CNT具有较高的催化活性,且循环4次反应活性没有明显的变化.控制实验和中毒实验表明金属Co和N对催化活性起着重要的作用,同时金属Co是中间产物N-苄叉苯胺加氢的主要活性位.     

Flexible Liquid Crystal Polymer Technologies from Microwave to Terahertz Frequencies

With the emergence of fifth-generation (5G) cellular networks, millimeter-wave (mmW) and terahertz (THz) frequencies have attracted ever-growing interest for advanced wireless applications. The traditional printed circuit board materials have become uncompetitive at such high frequencies due to their high dielectric loss and large water absorption rates. As a promising high-frequency alternative, liquid crystal polymers (LCPs) have been widely investigated for use in circuit devices, chip integration, and module packaging over the last decade due to their low loss tangent up to 1.8 THz and good hermeticity. The previous review articles have summarized the chemical properties of LCP films, flexible LCP antennas, and LCP-based antenna-in-package and system-in-package technologies for 5G applications, although these articles did not discuss synthetic LCP technologies. In addition to wireless applications, the attractive mechanical, chemical, and thermal properties of LCP films enable interesting applications in micro-electro-mechanical systems (MEMS), biomedical electronics, and microfluidics, which have not been summarized to date. Here, a comprehensive review of flexible LCP technologies covering electric circuits, antennas, integration and packaging technologies, front-end modules, MEMS, biomedical devices, and microfluidics from microwave to THz frequencies is presented for the first time, which gives a broad introduction for those outside or just entering the field and provides perspective and breadth for those who are well established in the field.     

不均匀性:非晶合金的灵魂

非晶合金,即金属玻璃,是一类特殊的由基本化学元素组成的非晶态物质,由于其独特的微观组织结构,展现出了不同于传统晶态合金材料的特殊物性,而成为高性能材料应用领域的重要一员.由于非晶合金的结构无序性,且当前精确表征其微观结构的实验手段缺乏,相应的理论模型也不完善,人们对非晶合金中一些基础物理问题的认识尚且不足,无法形成基本的理论框架来精确地描述其物性产生的微观机理.因而,当前非晶合金研究的核心问题可以概括为:如何建立以微观特征或结构为基础的基本理论框架,准确地概括非晶合金物性的微观机理.在过去几十年里,针对非晶合金的大量研究表明,在非晶合金长程无序的特征中,隐藏着本征的不均匀性和有序,且这些不均匀性的特征与材料物性有着密切的关联,使得建立以不均匀性特征为基础的理论框架成为可能.本文从非晶合金微观特征的不均匀性包括静态不均匀性和动态不均匀性的视角出发,概括性地总结了非晶合金材料与物理研究中取得的丰硕成果,及当前需要关注的重要科学问题,并针对未来可能的研究模式进行了展望.     

超高强块体非晶合金的研究进展

研制具有极限力学性能的金属材料一直是材料研究人员的梦想.超高强块体非晶合金是一类具有极高断裂强度(4 GPa)、高热稳定性(玻璃化转变温度通常高于800 K)和高硬度(通常高于12 GPa)的新型先进金属材料,其代表合金材料Co-Ta-B的断裂强度可达6 GPa,为目前公开报道的块体金属材料的强度记录值.本文系统地综述了该类超高强度块体非晶合金的组分、热学性能、弹性模量及力学性能,阐述了该类材料的研发历程;以弹性模量为联系桥梁,阐明了该类超高强块体非晶合金材料各物理性能的关联性,并揭示了其高强度、高硬度的价键本质.相关内容对于材料工作者了解该类超高强度金属材料的性能和特点,并推进该类材料在航空航天先进制造、超持久部件、机械加工等领域的实际应用有着重要意义.     

非匹配负载对宽带脉冲产生器谐振特性的影响

 宽带脉冲产生器的谐振特性决定了产生电磁脉冲的频谱,分析了带耦合器的同轴1/4波长谐振器在负载为非完全匹配天线时,天线反射对谐振特性的影响。通过建立级联二端口微波网络分析模型,将非匹配负载的反射系数计入等效耦合器反射系数中,得到了输出脉冲及辐射场频谱与负载反射系数的关系式。数值模拟了包括谐振器、耦合器和天线在内的整个宽带脉冲辐射系统,得到的辐射场频谱与理论预期相符。由于负载反射的影响,在中心频率两侧产生了两个副峰,在高功率实验中也观察到了该现象。     

Controlling optical responses through local dielectric resonance in nanometre metallic clusters

Optical responses in dilute composites are controlled through the local dielectric resonance of metallic clusters. We consider two located metallic clusters close to each other with admittances \varepsilon₁ and \varepsilon₂. Through varying the difference admittance ratio \eta [ = (\varepsilon₂- \varepsilon ₀) / (\varepsilon₁- \varepsilon₀)], we find that their optical responses are determined by the local resonance. There is a blueshift of absorption peaks with the increase of \eta. Simultaneously, it is known that the absorption peaks will be redshifted by enlarging the cluster size. By adjusting the nano-metallic cluster geometry, size and admittances, we can control the positions and intensities of absorption peaks effectively. We have also deduced the effective linear optical responses of three-component composites \varepsilon_e= \varepsilon₀ \bigl(1 + \sum_n=1^{n_s} [(\gamma_n2+ \eta \gamma_n2)/({\varepsilon₀(s - s_n))]} \bigr), and the sum rule of cross sections: \sum_n=1^{n_s} {(\gamma_n2+ \eta \gamma_n2 ) = N_h1+ N_h2, where N_h1and N_h2 are the numbers of \varepsilon₁ and \varepsilon₂ bonds along the electric field, respectively. These results may be beneficial to the study of surface plasmon resonances on a nanometre scale.