Density-functional study of CO adsorbed on RhN （N = 2-19） clusters

We investigate the structural, electronic and adsorption properties of one single CO molecule adsorbed on Rh_N (N = 2-19) clusters, using the density-functional theory in the spin-polarized generalized gradient approximation. It is found that the structural growth model of the Rh_N clusters transforms from double layers (N = 12-16) to three layers (N = 17-19). Three different adsorption types are the atop site adsorption for N = 6, 8, 9, 11, 12, the bridge site adsorption for N = 2-5, 7, 10, 13-15, 17 and the face adsorption for N = 16, 18, 19. The adsorption abilities of Rh_N clusters are related to C-O bond length, vibrational frequency, adsorption energy and the charge transfer between CO and Rh clusters as well as the electronic density of state. With the increase of Rh cluster size, the adsorption energy of CO adsorbed on Rh_N clusters tends to be 2.2 eV-2.3 eV, which is 0.2 eV-0.3 eV larger than the theoretical value (about 2.0 eV) of CO molecule adsorption on clean Rh (111) surface.     

电调制非分光红外瓦斯传感系统设计

基于气体红外光谱吸收原理,设计了一款电调制非分光技术的红外瓦斯传感器系统.该系统采用单光路双波长技术,以红外LED光源IRL715、防尘防水的吸收气室和热释电探测器件LIM-262组成光学探头,利用有源滤波和差分放大电路实现信号调理,采用二项式拟合瓦斯浓度-电压关系曲线,实现了对瓦斯浓度的精确探测.实验表明,该传感器能...     

有限尺寸方靶等离子体离子注入动力学的三维粒子模拟研究

采用三维粒子模拟模型研究了有限尺寸方靶等离子体浸没离子注入过程中的鞘层动力学行为,得到了鞘层尺寸和方靶表面的注入剂量、注入能量以及注入角度等信息,并与二维无限长方靶注入结果进行了对比.模拟结果表明,与无限长方靶不同,有限尺寸方靶周围鞘层很快扩展为球形,但鞘层厚度明显减小.在模拟的50ω^-1_pi时间尺度内靶表面注入剂量很不均匀,中心区域注入剂量最小,四个边角附近位置注入剂量最大.这种剂量不均匀性是由于鞘层扩展为球形,使得鞘层内离子被聚焦并注入到边角附 关键词： 等离子体浸没离子注入 数值模拟 三维粒子模拟 有限尺寸方靶     

Measurement of the wrong-sign decays D0 --> K+ pi- pi0 and D0 --> K+ pi- pi+ pi-, and search for CP violation

Using 281 fb-1 of data from the Belle experiment recorded at or near the (4S) resonance, we have measured the rates of the "wrong-sign" decays D0 --> K+ pi- pi0 and D0 --> K+ pi- pi+ pi- relative to those of the Cabibbo-favored decays D0 --> K- pi+ pi0 and D0 --> K- pi+ pi+ pi-. These wrong-sign decays proceed via a doubly Cabibbo-suppressed amplitude or via D0-D0 mixing; the latter has not yet been observed. We obtain R(WS)(K pi pi0) = [0.229 +/- 0.015(stat)(+0.013)(-0.009)(syst)]% and R(WS)(K3pi) = [0.320 +/- 0.018(stat)(+0.018)(0.013)(syst)]%. The CP asymmetries are measured to be -0.006 +/- 0.053 and -0.018 +/- 0.044 for the K+ pi- pi0 and K+ pi- pi+ pi- final states, respectively.     

Characterization of Zn<Subscript>2</Subscript>SnO<Subscript>4</Subscript> Thin Films Prepared by RF Magnetron Sputtering

Zn₂SnO₄ (ZTO) is a stable semiconductor in ZnO–SnO₂ system and important transparent conducting oxide (TCO) predominantly used in optoelectronic devices. ZTO thin films were prepared by RF magnetron sputtering using Zn₂SnO₄ ceramic target in this paper. The effects of annealing temperatures and oxygen contents on characterization of ZTO thin films were studied. The results show that ZTO thin films prepared by RF magnetron sputtering are amorphous with an optical band gap of 3.22 eV. After annealing at 650°C in Ar atmosphere for 40 min, ZTO films possess a spinel structure with an optical band gap of 3.62 eV. The atomic force microscope (AFM) data of morphology reveals that the surface roughness of films is about 2 nm. The results of energy dispersive spectrometer (EDS) show that the concentration ratio of Zn to Sn is in the range from 1.44 to 1.57. The results of Hall-effect-measurement system reveal that the resistivity of films varies from 102 to 10–1 Ωcm, carrier concentration is about 10¹⁷ cm^–3, and mobility ranges from 10⁰ to 10¹ cm² v^–1 s^–1.     

Carpet oscillator: A new megastable nonlinear oscillator with infinite islands of self-excited and hidden attractors

Polarisation of the particle spin can be an important problem for different plasmas. In this article, the contribution of the electron spin on the growth rate of the temperature anisotropy of electromagnetic instabilities has been investigated. Results show that polarisation of the electron spin will restrict the instability growth rate while instability can survive due to the spin-depolarised electrons even when the requested temperature anisotropy is vanished. Instability can reach the damping state exponentially due to the spin-polarised electrons while it can grow linearly due to the spin-depolarised (the semi-classical) electrons.     

Periodic synchronization in a system of coupled phase oscillators with attractive and repulsive interactions

In this study we investigate the collective behavior of the generalized Kuramoto model with an external pinning force in which oscillators with positive and negative coupling strengths are conformists and contrarians, respectively. We focus on a situation in which the natural frequencies of the oscillators follow a uniform probability density. By numerically simulating the model, it is shown that the model supports multistable synchronized states such as a traveling wave state, π state and periodic synchronous state: an oscillating π state. The oscillating π state may be characterized by the phase distribution oscillating in a confined region and the phase difference between conformists and contrarians oscillating around π periodically. In addition, we present the parameter space of the oscillating π state and traveling wave state of the model.     

Solution synthesis of ZnO nanotubes via a template-free hydrothermal route

ZnO nanotubes were successfully synthesized by a simple template-free hydrothermal method. X-ray powder diffraction and transmission electron microscopy were used to characterize the as-prepared ZnO nanotubes. The average size of the nanotubes is 200-500 nm in length and 20-30 nm in diameter. In addition, a further investigation of the optimized synthetic conditions has been carried out.     

NO dissociation pathways on Rh(1 0 0), (1 1 0), and (1 1 1) surfaces: A comparative density functional theory study

The chemisorption and dissociation pathways of NO on the Rh(1 0 0), (1 1 0), and (1 1 1) surfaces are studied by the plane-wave density functional theory (DFT) with CASTEP program. In addition, the electronic and geometrical effects that affect the NO dissociation reactions have been investigated in detail. The calculation results are presented as following: The effective activation energies of the best NO dissociation pathways on the Rh(1 0 0), the Rh(1 1 0), and the Rh(1 1 1) are 0.63, 0.66 and 1.77 eV, respectively. The activity of the Rh planes for NO dissociation is in the order of Rh(1 0 0) ≈ Rh(1 1 0) > Rh(1 1 1). The low dissociation barrier for Rh(1 0 0) and Rh(1 1 0) is associated with the existence of a lying-down NO structure which acts as a precursor for dissociation. By Mulliken population analysis and structure analysis, both electronic and geometrical effects are found to affect the NO dissociation reactions, but the geometrical effect exceed the electronic. The energy decomposition scheme has been used to provide further insight into the NO dissociation reactions. Based on the calculations, the interaction energy between N and O in the transition state on the Rh(1 1 1) is found much larger than that on the Rh(1 0 0) and the Rh(1 1 0). The major differences of should originate from the variation of the bonding competition effect.     

在WBEPM理论下EuⅠ原子里德堡能级计算(英文)

依据最弱受约束电子势模型理论,计算了铕原子4f76snd6D9/2(n≥13)、4f76snd8D9/2(n≥17)、4f76snd8D5/2(n≥15)和4f76snd8D3/2(n≥21)里德堡系列能级.计算结果与实验值的最大相对误差为4×10-5,最大绝对误差是1.91cm-1,达到了较高精度,这表明文中的外推数据是可信的.