Large‐Area Aminated‐Graphdiyne Thin Films for Direct Methanol Fuel Cells

A two‐dimensional (2D) carbon nanofilm with uniform artificial nanopores is an ideal material to ultimately suppress the fuel permeation in the proton exchange membrane fuel cells. Graphdiyne has great mechanical strength, high dimensional stability, and controllable nanopores, and has good prospects to play this crucial role. It is found that graphdiyne nanofilm with amino groups and natural nanopores can be easily prepared with high integrity. The aminated graphdiyne has good compatibility with the Nafion matrix owing to the acid–base interaction between them. The excellent comprehensive properties of graphdiyne in selectivity, dimensional stability, and integrity effectively improve the power performance and stability of fuel cells at wide temperature. Our results can be developed into a universal method that can easily realize the selective separation of ions and small molecules, and open a new way for the emerging applications in green energy.     

表面光电压谱在稀土杂多酸催化研究中的应用

表面光电压法早巳用于研究半导体能带分布及表面态,但尚未见用于研究催化作用的报道。我们在自装的光电压谱仪上,对结构相似的系列稀土硅钨酸催化剂进行了研究,对其表面电荷(表面能级)的微小差异在催化反应中的作用有了新的认识。     

Directly monitoring the growth of gold nanoparticle seeds into gold nanorods

This paper describes the use of atomic force microscopy to directly image surface-attached 3-5 nm diameter gold nanoparticle seeds before and after seed-mediated growth into gold nanorods (Au NRs) and other shapes (spheres, triangles, and hexagons). Results show that Au NRs form from seeds growing in either one or two directions. A direct correlation exists between seed diameter and NR diameter; small diameter seeds form small diameter NRs. However, correlation between seed diameter and nanostructure shape or NR length is less evident. We describe our results in terms of growth mechanisms proposed in the literature and discuss possible reasons for the large size dispersity observed for surface-grown Au NRs. A better understanding of Au NR and other metal and semiconductor one-dimensional (1D) growth processes is necessary to improve synthesis, tailor their properties, and utilize 1D nanostructures for useful technological applications.     

过氧化氢酶电极的研制及其性能

生物传感器是一种新兴的测试工具,其中酶电极因具有较常规离子选择电极更短的响应时间,更好的选择性与抗干扰能力强等特性,引起了人们的关注。本文用新鲜合成的三乙基     

面向对象有限元程序的类设计

传统有限元程序设计中的许多问题可以通过面向对象程序设计方法加以解决。本文介绍了我们尝试采用ＢｏｒｌａｎｄＣ＋＋２．０进行的一种面向对象有限元程序设计，着重进行有限元程序的类划分与定义，并将几个典型的类设计成类等级。面向对象语言的继承性、封装性、多态性等特性在我们的程序设计中均得到了运用。与传统的有限元程序（通常采用Ｆｏｒｔｒａｎ）相比，面向对象有限元程序更加结构化、更易于编写、更易于维护和扩充，程序代码的可重用成分更大，它为开发大型有限元分析软件提供了一条新途径     

First-principles calculations of the structural and dynamic properties, and the equation of state of crystalline iodine oxides I2O4, I2O5, and I2O6

The structural and dynamical correlations, and the equation of state of crystalline I(2)O(4), I(2)O(5), and I(2)O(6) are investigated by first-principles calculations based on the density functional theory (DFT). The lattice dynamics results reveal distinctive features in the phonon density of states among the three crystals. The frequencies of the stretch modes in I(2)O(4) and I(2)O(5) are clearly separated from those of the other (e.g., bending) modes by a gap, with all stretch modes above the gap. In contrast, the gap in I(2)O(6) separates the highest-frequency stretch modes with other stretch modes, and there is no gap between the stretch and the other modes in I(2)O(6). The motion of iodine atoms is involved in all vibrational modes in I(2)O(5), but only in low-frequency lattice modes in I(2)O(6). In I(2)O(4), iodine atoms are involved in modes with frequency below 700 cm(-1). Van der Waals correction within our DFT calculations is found to reduce the overestimation of the equilibrium volume, with its effect on structure similar to the pressure effect. Namely, both effects significantly decrease the inter-molecular distances, while slightly increasing the bond lengths within the molecules. This causes the frequencies of some vibrational modes to decrease with pressure, resulting in negative "modes Gru?neisen parameters" for those modes. Thermodynamic properties, derived from the equation of state, of crystalline I(2)O(4), I(2)O(5), and I(2)O(6) are discussed within the quasi-harmonic approximation.     

Observation of single dinuclear metal-complex molecules using scanning tunneling microscopy

We report a scanning tunneling microscopy (STM) investigation of a dinuclear organometallic molecule, trans-[Cl(dppe)2Ru(C[triple bond]C)6Ru(dppe)2Cl] (Ru2), absorbed on a Au(111) surface; this molecule is a potential candidate for use in molecular quantum-dot cellular automata (QCA) devices. Isolated Ru2 molecules were observed under ultra-high-vacuum conditions. Submolecular structure was clearly discernible in the STM images, with a bright feature corresponding to each of the two Ru-ligand complexes within the Ru2 molecule. Rotation and translation of the Ru2 molecules were observed to be induced by the STM tip under some tunneling conditions.     

Well-Conditioned Spectral Collocation Methods for Problems in Unbounded Domains

Based on the generalized Laguerre and Hermite functions, we construct two types of Birkhoff-type interpolation basis functions. The explicit expressions are derived, and fast and stable algorithms are provided for computing these basis functions. As applications, some well-conditioned collocation methods are proposed for solving various second-order differential equations in unbounded domains. Numerical experiments illustrate that our collocation methods are more efficient than the standard Laguerre/Hermite collocation approaches.     

Efficient Laguerre and Hermite Spectral Methods for Odd-Order Differential Equations in Unbounded Domains

Laguerre dual-Petrov-Galerkin spectral methods and Hermite Galerkin spectral methods for solving odd-order differential equations in unbounded domains are proposed. Some Sobolev bi-orthogonal basis functions are constructed which lead to the diagonalization of discrete systems. Numerical results demonstrate the effectiveness of the suggested approaches.     

平板大攻角绕流升力和阻力系数的计算

二维平板或二维对称薄翼型大攻角绕流升力和阻力系数与攻角之间存在的函数关系一般用数据表格的形式给出。本文根据垂直平板绕流阻力实验数据和对称薄翼型全攻角绕流实验数据,分析得到了平板大攻角绕流总压力及其升力分量和阻力分量系数的近似计算公式。结果表明：平板总压力系数约等于攻角正弦值的2倍;总压力的阻力分量系数约等于攻角正弦值平方的2倍;升力分量系数约为攻角2倍的正弦值。计算结果与两组试验数据具有较好的一致性。