Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces

The adsorption behavior and thermal activation of carbon dioxide on the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces have been investigated by means of density functional theory calculations and cluster models and periodic slabs. According to the cluster models, the optimized results indicate that the basis set of C and O atoms has a distinct effect on the adsorption energy, but an indistinct one on the equilibrium geometry. For the CO₂/Cu(hkl) adsorption systems studied here, the final structure of adsorbed CO₂ is near linear and the preferred modes for the adsorption of CO₂ onto the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces are the side-on adsorption at the cross bridge site with an adsorption energy of 13.06 kJ/mol, the side-on adsorption at the short bridge site (13.54 kJ/mol), and the end-on adsorption on the on-top site with C–O bonds located along the short bridge site (26.01 kJ/mol), respectively. However, the calculated adsorption energies from periodic slabs are lower as compared to the experimental data as well as the cluster model data, indicating that the periodic slab approach of generalized gradient approximation in the density function theory may be not suitable to obtain quantitative information on the interaction of CO₂ with Cu(hkl) surfaces.     

N=1扰动超共形孤子理论与超Leibniz法则与量子守恒流

利用Ｎ＝１扰动超共形场论研究超对称ｓｉｎｅ－Ｇｏｒｄｏｎ理论，借助于超Ｌｅｉｂｎｉｚ法则求出了一组量子守恒流的一般形式．     

Wavelet and harmonic filtering for distortion-invariant volume holographic correlation

The wavelet and harmonic filtering method suggested by Zalevsky and Ouzieli is introduced in this paper and adopted in our volume holographic image recognition system. This composite filter combines several scaled versions of the cascaded wavelet and harmonic filter, obtaining high discrimination ability and wide dynamic range of rotation and scale deformations. Optical experiments are conducted to demonstrate the validity and practicability of the algorithm. To the best of our knowledge, this is the first report of using this algorithm in a volume holographic system. Moreover, the separate correlation approach proposed in this paper greatly simplifies the manufacturing process and reduces the cost of the system.     

锰(Ⅱ)-高碘酸钾-灿烂绿体系测定水中痕量锰

在 HAc- Na Ac环境中 ,锰 ( )对于高碘酸钾氧化灿烂绿的反应具有很强的催化作用。据此 ,建立了催化动力学光度法测定痕量锰 ( )的新方法。该方法的检出限为 2 .2 2× 10 -11g/ m L ,测定线性范围为0 .1— 12 ng/ m L。直接用于环境水样中锰的测定 ,获得满意的结果     

精密称衡时仪器误差的处理

天平是实验室称衡物理质量的一种仪器.在使用天平称衡时的操作步骤一般为:(1)调水平;(2)调零点;(3)称衡.前两步是进行精密称衡的必要前提,在正常情况下,通过正确操作就能够满足实验要求.如果由于天平本身的原因,不能将天平横梁调至水平,那么就将给实验结果带来一系统误差.下面就这一系统误差的产生、大小及处理作一讨论.     

最优受教育年限选择的模型分析

为进一步定量分析个人教育投资现象,构建了一般性地反映人们在就学和就业之间进行选择的最优化模型,并对影响人们教育投资决策行为的因素进行了分析.在简单的假定前提下运用数学语言再现了教育经济和劳动经济研究中的相关结论.     

Photorefractive shearing interferometer

A novel method of obtaining shearing interferogram by slightly moving the crystal in a photorefractive interferometer is proposed. This method can measure the phase of an object itself instead of its diffraction field, and it is easy to realize continuously changeable shearing distance in any lateral direction and introduce carrier fringes at the same time. Both the theoretical analysis and experimental verification are given.     

Permanence and stability of a predator–prey system with stage structure for predator

A stage-structured predator–prey system with delays for prey and predator, respectively, is proposed and analyzed. Mathematical analysis of the model equations with regard to boundedness of solutions, permanence and stability are analyzed. Some sufficient conditions which guarantee the permanence of the system and the global asymptotic stability of the boundary and positive equilibrium, respectively, are obtained.     

电荷量子比特与量子化光场之间的纠缠

研究了初态为混合态的电荷量子比特与量子化光场之间的纠缠.通过求解系统的concurrence下限, 研究初态的混合度λ和失谐量Δ对系统纠缠随时间演化的影响. 在弱场中, 电荷量子比特初始是激发态的系统, 其纠缠度远远大于电荷量子比特初始是基态的系统, 并且Δ对系统的纠缠有明显的抑制作用. 在强场中, 电荷量子比特初始分别为激发态和基态时系统的纠缠演化接近一致, 初态混合度最高时系统的纠缠度最小, 并且Δ对系统纠缠的影响变弱. 关键词： 约瑟夫森结 纠缠 混合态 concurrence下限     

Energy levels in doped SiGe quantum well studied by admittance spectroscopy

SiGe/Si quantum wells (QWs) with different Boron doping concentrations were grown by molecular beam epitaxy (MBE) on p-type Si(1 0 0) substrate. The activation energies of the heavily holes in ground states of QWs, which correspond to the energy differences between the heavy hole ground states and Si valence band, were measured by admittance spectroscopy. It is found that the activation energy in a heavily doped QW increases with doping concentration, which can be understood by the band alignment changes due to the doping in the QWs. Also, it is found that the activation energy in a QW with a doping concentration of 2 × 10²⁰ cm⁻³ becomes larger after annealing at a temperature of 685 °C, which is attributed to more Boron atoms activation in the QW by annealing.