信息时代的铌酸锂晶体:进展与展望

铌酸锂晶体具有非线性效应、电光效应、声光效应、光折变效应、压电效应与热释电效应等多种物理特性,在表面声波器件、光电器件、声光器件等方面获得广泛的应用.经历了六十多年的发展,铌酸锂晶体历久弥新,随着材料特性的不断开发,新功能、新器件、新应用层出不穷,尤其是铌酸锂单晶薄膜在薄膜滤波器、集成光电器件等领域的性能具有明显优势,...     

Microwave Pyrolysis and Electrochemical Supercapacitor of S-doped g-C_3N_4 Nanoparticles

In this study, S-doped g-C_3N_4 nanoparticles were successfully prepared by one-step solid-state microwave synthesis. The detailed characterizations through XRD, FT-IR, SEM and XPS were studied. In addition, the electrochemical properties as supercapacitor of the sample were tested by cyclic voltammetry(CV), galvanostatic charge-discharge(GCD) and electrochemical impedance spectroscopy(EIS) techniques. The results showed a high specific capacitance of 691 F/g at current density of 4 A/g in 2 M KOH + 0.15 M K_3[Fe(CN)_6] electrolyte. This study shows that the microwave synthesis is a promising way to design carbon-based electrodes for supercapacitor.     

Integral Operators Between Fock Spaces∗

In this paper, the authors study the integral operator Sφf(z) = Z C φ(z, w)f(w)dλα(w) induced by a kernel function φ(z, ·) ∈ F ∞α between Fock spaces. For 1 ≤ p ≤ ∞, they prove that Sφ : F 1 α → F p α is bounded if and only if sup a∈C kSφkakp,α < ∞, (?) where ka is the normalized reproducing kernel of F 2 α; and, Sφ : F 1 α → F p α is compact if and only if lim |a|→∞ kSφkakp,α = 0. When 1 < q ≤ ∞, it is also proved that the condition (?) is not sufficient for boundedness of Sφ : F q α → F p α . In the particular case φ(z, w) = eαzw?(z ? w) with ? ∈ F 2 α, for 1 ≤ q < p < ∞, they show that Sφ : F p α → F q α is bounded if and only if ? = 0; for 1 < p ≤ q < ∞, they give sufficient conditions for the boundedness or compactness of the operator Sφ : F p α → F q α.     

Global Stability to Steady Supersonic Rayleigh Flows in One-Dimensional Duct∗

Heat exchange plays an important role in hydrodynamical systems, which is an interesting topic in theory and application. In this paper, the authors consider the global stability of steady supersonic Rayleigh flows for the one-dimensional compressible Euler equations with heat exchange, under the small perturbations of initial and boundary conditions in a finite rectilinear duct.     

油品对DMCC甲醛排放的比较研究

为了研究甲醇燃料发动机尾气中甲醛的排放特征,在一台经过改装的组合燃烧发动机上,采用标准测试柴油(TF)和普通市场柴油(MF)进行了实验,比较了燃用不同油料时的甲醛排放特征.实验结果表明;在相同甲醇掺烧比时,两种油料均是在低负荷时甲醛排放最高,在中负荷时最低,在高负荷时甲醛排放居中,三种负荷下MF甲醛排放均比TF高;此外,实验还对比了相同负荷、不同甲醇掺烧比时的甲醛排放,均表现出MF的甲醛排放比TF高,在高负荷下甚至达到2.5倍;实验还表明单纯的依靠氧化催化转化器不能有效降低甲醛排放.     

A New Trial Equation Method and Its Applications

As an improved version of trial equation method, a new trial equation method is proposed. Using this method, abundant new exact traveling wave solutions to a high-order KdV-type equation are obtained.     

2,2-双(4-氯-2-氟苄基)丙二酸二乙酯的晶体结构和密度泛函理论研究

标题化合物是一个重要的精细化工中间体,可用于制备嘧啶类、吡唑类等产品.本文利用红外光谱(IR)、质谱(MS)、核磁共振氢谱(1 H NMR)、核磁共振碳谱(13 C NMR)和X-射线单晶衍射对此化合物进行了表征,并在B3LYP/6-311G(d,p)模式下使用密度泛函理论(DFT)计算了此化合物的最稳定晶体结构以及最...     

金催化乙炔氢氯化的密度泛函理论研究进展

乙炔氢氯化(AH)是生产氯乙烯的主要途径之一,传统上使用高毒性的汞催化剂,因此开发无汞催化剂迫在眉睫。金(Au)催化剂是最有潜力的替代催化剂之一,然而其活性Au物种、反应物的活化过程或反应过渡态结构等催化机理仍不够清晰。密度泛函理论（DFT）在研究由Au催化AH的反应机理中发挥了极其重要的作用。本文综述了DFT对金催化剂活性位点、反应物在催化剂上的吸附性质及反应机理的研究进展。重点讨论了DFT对阳离子金和金簇催化AH反应过程的模拟计算,包括Au电子状态、其它原子掺杂及金簇尺寸和形状对催化AH反应影响的模拟。结果表明DFT模拟计算在微观分子尺度上研究反应物的吸附、反应中间体及过渡态等方面发挥了关键作用,对理解Au催化AH反应机理做出了重要贡献。     

Synthesis,Structure and Theoretical Calculation of Metal Coordination Polymers with Pyrazine-2,3-dicarboxylic Acid and 3-(2-Pyridyl)pyrazole as Co-ligands

A new 2D metal coordination polymer(MCP),[Mn(pzdc)_(0.5)(L)]_n(1,pzdc=pyrazine-2,3-dicarboxylic acid,HL=3-(2-pyridyl)pyrazole),was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction,powder XRD,FT-IR,TG,fluorescence and elemental analysis techniques.Pale yellow crystals crystallize in orthorhombic system,space group Fdd2 with a=11.2368(6),b=38.280(2),c=10.5682(6) A,V=4545.9(4) A~3,C_(11)H_7MnN_4O_2,M_r=282.15,D_c=1.649 g/cm~3,μ(MoKα)=1.159 mm~(-1),F(000)=2272,Z=16,the final R=0.0613 and wR=0.1773 for 2856 observed reflections(I 2σ(I)).It shows a two-dimensional network structure and is further assembled into a three-dimensional supramolecular framework via hydrogen bonds and abundant π-π interactions.In addition,we analyzed natural bond orbital(NBO) of 1 in using the PBE0/LANL2DZ method established in Gaussian 03 Program.There is obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ions.     

气相生长氮化铝单晶的新方法

通过在钨坩埚盖开小孔的方法改变氮化铝结晶衬底上的温度场分布,在开孔处形成局部低温区;由于孔的几何尺寸的限制和氮化铝晶体生长的各向异性,开孔处的氮化铝晶体单晶化;随后,开孔处的单晶起籽晶的作用,逐渐长成较大尺寸、较高质量的氮化铝单晶.目前用该方法已经制备出直径大于2mm的氮化铝单晶体.