H^—5的正四面体中心和正方形中心构型能量的理论计算

文中用ＭＡＣＱＭ（ｍｏｄｉｆｉｅｄａｒａｎｇｅｍｅｎｔｃｈａｎｎｅｌｑｕａｎｔｕｍｍｅｃｈａｎｉｃｓ）方法计算了负离子团簇Ｈ－５的正四面体中心和正方形中心构型的能量随中心原子核到顶角原子核间距离Ｒ变化的曲线。计算得知，两种构型均在Ｒ＝１．５５ａ０时有能量极小值Ｅ正四面体中心＝－２．７８９９ａ．ｕ．，Ｅ正方形中心＝－２．７５３９ａ．ｕ．。说明Ｈ－５的这两种结构都可能存在，但正四面体中心结构较为稳定。     

Experimental Study on Optical Limiting and Transient All-optical Switching Properties of a Cubanelike Transition-metal Cluster Compound (n-Bu4N)3[MoAg3BrI3S4]

１ＩｎｔｒｏｄｕｃｔｉｏｎＩｎｒｅｃｅｎｔｙｅａｒｓ,ｔｈｅｐｏｔｅｎｔｉａｌｏｆｒｅｖｅｒｓｅｓａｔｕｒａｂｌｅａｂｓｏｒｐｔｉｏｎ（ＲＳＡ）ｍａｔｅｒｉａｌｓｉｎｏｐｔｉｃａｌｌｉｍｉｔｉｎｇａｎｄｏｐｔｉｃａｌｓｗｉｔｃｈｉｎｇｈａｖｅｇｒａｄ...     

Diffusional coagulation of superparamagnetic particles in the presence of an external magnetic field

In this paper, we investigate the diffusional coagulation of colloidal superparamagnetic (SP) latex particles that are under the influence of an external magnetic field. The cluster size distributions (CSDs) that evolve with time were determined using an optical set-up that permits the direct visualization of particle clusters. Following the dynamic scaling analysis of van Dongen and Ernst (Phys. Rev. Lett. 54 (1985) 1396), we find that the CSDs all collapse onto a master curve when properly scaled. The bell-shape of this master curve indicates that large clusters preferentially scavenge small clusters in our system. From the time evolution of the average cluster size we infer that the reactivity between large clusters diminishes with increasing cluster size. These results are consistent with a simple mathematical formulation of the coagulation rate constant, or kernel, for the Brownian coagulation of magnetic particles. Moreover, our results support a growing body of evidence that the dynamic scaling theory developed by van Dongen and Ernst is a useful framework with which to study the microscale processes governing particle coagulation.     

类立方烷过渡金属簇合物(n-Bu4N)3[MoAg3BrI3S4]激发态寿命测量

本文在类立方烷过渡金属簇合物(n-Bu₄N)₃[MoAg₃BrI₃S₄]空气饱和乙氰溶液中实现了瞬态全光开关.由开关时间推断出这种材料的激发态寿命约600ns,约为C₆₀三重态第一激发态在空气饱和甲苯溶液中寿命的2倍.     

Antiferromagnetic Potts Models on the Square Lattice: A High-Precision Monte Carlo Study

We study the antiferromagnetic q-state Potts model on the square lattice for q=3 and q=4, using the Wang–Swendsen–Kotecký (WSK) Monte Carlo algorithm and a powerful finite-size-scaling extrapolation method. For q=3 we obtain good control up to correlation length 5000; the data are consistent with ()=Ae ^{2 p} (1+a ₁ e ^– + ...) as , with p1. The staggered susceptibility behaves as _stagg ^5/3. For q=4 the model is disordered (2) even at zero temperature. In appendices we prove a correlation inequality for Potts antiferromagnets on a bipartite lattice, and we prove ergodicity of the WSK algorithm at zero temperature for Potts antiferromagnets on a bipartite lattice.     

An Equilibrium Lattice Model of Wetting on Rough Substrates

We consider a semi-infinite 3-dimensional Ising system with a rough wall to describe the effect of the roughness r of the substrate on wetting. We show that the difference of wall free energies (r)= _AW(r)– _BW(r) of the two phases behaves like (r)r(1), where r=1 characterizes a purely flat surface, confirming at low enough temperature and small roughness the validity of Wenzel's law, cos (r)r cos (1), which relates the contact angle of a sessile droplet to the roughness of the substrate     

Superdegenerate point in FCC phase diagram: CVM and Monte Carlo investigations

We investigate the topology of the phase diagram of binary alloys on the fee lattice with first-neighbor antiferromagnetic interactions around the superdegenerate point, where the L1₀ and L1₂ phases meet. We treat the system as a hard-constraint lattice gas, following a procedure previously described by Lebowitzet al. We perform cluster variation method calculations in theT0 limit and Monte Carlo simulations directly atT=0 K on the ground states of the superdegenerate point. We find that: (i) there is no disordered phase in the neighborhood of this point; (ii) a phase L for which two of the four cubic sublattices have the same average occupancy and each of the two others are different appears between L1₀ and L1₂; (iii) the transition L/L1₂ is of first order.     

Ultrathin silver‐coated gold nanoparticles as suitable substrate for surface‐enhanced Raman scattering

Surface‐enhanced Raman scattering (SERS) is an extremely powerful tool for the analysis of the composition of bimetallic nanoparticle (BNP) surfaces because of the different adsorption schemes adopted by several molecules on different metals, such as Au and Ag. The preparation of BNPs normally implies a change in the plasmonic properties of the core metal. However, for technological applications it could be interesting to synthesize core–shell structures preserving these original plasmonic properties. In this work, we present a facile method for coating colloidal gold nanoparticles (NPs) in solution with a very thin shell of silver. The resulting bimetallic Au@Ag system maintains the optical properties of gold but shows the chemical surface affinity of silver. The effectiveness of the coating method, as well as the progressive silver enrichment of the outermost part of the Au NPs, has been monitored through the SERS spectra of several species (chloride, luteolin, thiophenol and lucigenin), which show different behaviors on gold and silver surfaces. A growth mechanism of the Ag shell is proposed on the basis of the spectroscopic and microscopic data consisting in the formation and deposit of Ag clusters on the Au NP surface. Copyright © 2009 John Wiley & Sons, Ltd.     

Teleportation Capability of Six-Qubit Cluster State

Recently Wei-Bo Gao et al. [Phys. Rev. Lett. 104 (2010) 020501]; reported on the creation of a 4-photon 6-qubit cluster state. It is shown this states can be utilized for perfect teleportation of arbitrary three qubit systems and controlled teleportation of an arbitrary two-qubit state. Therefore, the six-qubit cluster state as quantum channels is equivalent to that of maximally six-qubit entangled state.     

Indium distribution and light emission in wurtzite InGaN alloys: Several-atom In-N clusters

Considering various In distributions, we investigate electronic structures and light emission of wurtzite In_xGa_1 − xN (0?x?1) alloys. We find In_xGa_1 − xN forms a random alloy, in which many several-atom In-N clusters and short In-N- chains can exist. Small In-N clusters, especially in-plane ones, strongly localize valence electrons and dominate light emission in Ga-rich In_xGa_1 − xN alloys, which is consistent with experiments.