Controllable synthesis of ZnS/PMMA nanocomposite hybrids generated from functionalized ZnS quantum dots nanocrystals

We reported controllable synthesis of ZnS nanocrystal-polymer transparent hybrids by using polymethylmethacrylate (PMMA) as a polymer matrix. In a typical run, the appropriate amounts of zinc chloride (ZnCl₂) and sodium sulfide (Na₂S) in the presence of 2-mercaptoethanol (ME) as the organic ligand were well dispersed in H₂O/dimethylformamide solution without any aggregation. In addition, the Mn-doped ZnS nanocrystals (NCs) were synthesized with similar method. Then, ZnS-PMMA hybrids were obtained via free radical polymerization in situ by using ZnS NCs functionalized with methacryloxypropyltrimethoxysilane (MPS). FT-IR characterization indicates the formation of robust bonding between ZnS NCs and the organic ligand. The TEM images show that ZnS NCs are well dispersed in PMMA matrix, and particle size of as-prepared ZnS NCs is about 2.6 nm, in agreement with the computing results of Brus’s model and Debye–Scherrer formula. The photoluminescence measurements present that ZnS NCs, Mn-doped ZnS NCs, and ZnS/PMMA hybrid show good optical properties.     

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.     

On Frobenius algebras and the quantum Yang-Baxter equation

It is shown that every Frobenius algebra over a commutative ring determines a class of solutions of the quantum Yang-Baxter equation, which forms a subbimodule of its tensor square. Moreover, this subbimodule is free of rank one as a left (right) submodule. An explicit form of a generator is given in terms of the Frobenius homomorphism. It turns out that the generator is invertible in the tensor square if and only if the algebra is Azumaya.

     

Femtosecond dynamics of secondary radiation formation from quantum well excitons

The time-resolved secondary emission of resonantly created excitons in GaAs quantum wells is studied using femtosecond up-conversion spectroscopy. The behaviour of the rise and decay of the secondary emission and reflectivity in quantum wells is strongly dependent upon the disorder at the interfaces, the exciton density and the temperature. In the case of low densities and temperatures the emission is independent of the exciton density and rises quadratically in time, in excellent agreement with recent theory for Rayleigh scattering from two-dimensional excitons subjected to disorder. These rise times are compared directly with times measured by time-integrated four-wave mixing (FWM). The comparison of the dynamics displayed in time-resolved secondary radiation and time-integrated FWM provide a clear understanding of the coherence properties of QW excitons in the first few picoseconds after excitation. High-contrast oscillations that are due to quantum beats between the heavy- and light-hole 1s-states are seen. The visibility decay at very low densities is long ps and is related to the action of potential fluctuations on the scattering of heavy-hole and light-hole excitons.     

Zeroth and second laws of thermodynamics simultaneously questioned in the quantum microworld

A new and rather trivial model is suggested with mechanism that implies simultaneous violation of the zeroth and the second laws of thermodynamics. Mathematically rigorous quantum theory reduces to a trivial application of the Golden rule formula. It yields exciton on-energy-shell diffusion caused by bath-nonassisted excitation hopping between tails of different exciton site levels ε₁ < ε₂ broadened by bath-assisted finite life-time effects. The elastic character of the hopping implies 1 ↔ 2-symmetric transfer rate W. Thus the net diffusion exciton flow W(P ₁ - P ₂) and also, as argued, the net energy flow are possible due to different near-to-equilibrium exciton populations P ₁ > P ₂. As the sites are provided with two different baths, the population imbalance and the flows survive even for slightly different local bath temperatures T ₁ < T ₂ < T ₁ε₂/ε₁. Thus spontaneous exciton and also energy flows against temperature step become possible, in contradiction with the Clausius form of the second law. Violations of both the laws disappear in the high-temperature, i.e. classical limit Received 16 May 2001 and Received in final form 20 September 2001     

类氢及碱金属原子激发态寿命的半经典计算公式

根据对应原理,得到了类氢原子能态平均寿命半经典的计算公式τ(n,l),然后利用相对论单通道量子数亏损理论进行推广,得到用来计算考虑总角动量J的激发态寿命公式τ(n,l,l+1/2)和τ(n,l,l-1/2),利用单通道量子数亏损理论得到了碱金属原子n、l远大于1时激发态寿命的半经典公式τ(n.l)=τ0(m+M/nm/v/+M)2v7l(l+1/2)/n4,其计算结果和实验数据符合的很好.     

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.     

Activity evaluation of carbon paste electrodes loaded with pt nanoparticles prepared in different radiolytic conditions

Three Pt-based catalysts prepared in different radiolytic conditions and supported on graphite powder were packed into a carbon paste electrode configuration. They were compared to each other, to the commercial (Pt) deposited on activated carbon powder (Johnson Matthey) and to pure Vulcan XC-72 for their respective abilities toward the hydrogen evolution reaction (HER). The Tafel parameters were determined for all these electrodes. From the I–V curves and their quantitative treatment, the following order of activity emerged unambiguously and reads: (PtCO)₂ (fcc structure) > (PtCO)₁ (Chini cluster) > (Pt)_neat > (Pt)_JM (Johnson Matthey) ≫ (Vulcan XC-72). As expected, all the Pt-loaded electrodes were more efficient than Vulcan XC-72. The classification appears to be linked with the mean nanoparticle size, and for comparable sizes, with the surface morphology of the materials. The results and the stability of the electrodes suggest that the small particle sizes and the good dispersity on the carbon support were maintained during the HER.     

40,48Ca+90,96Zr融合反应的动力学模型研究

应用改进的量子分子动力学模型,在严格挑选初始核考虑弹靶结构效应的基础上,研究了近垒和垒上融合反应^40,48Ca+^90,96Zr. 研究表明: 4个反应的理论计算截面与实验值很好符合; 丰中子反应⁴⁰Ca+⁹⁶Zr的垒下融合截面比其他3个反应有明显增强的现象.为了理解丰中子反应⁴⁰Ca+⁹⁶Zr与⁴⁰Ca+⁹⁰Zr相比垒下融合截面增强,而Ca+⁹⁶Zr垒下融合截面没有明显增强的原因, 进一步分析了484个反应的融合位垒,中子转移与融合位垒的关系、中子转移与Q值的关系,结果表明: 正反应Q值会引起核子(特别是中子)转移的增强,从而导致动力学融合位垒的下降和垒下融合截面增强.     

Methods in carbon K-edge NEXAFS: Experiment and analysis

Near-edge X-ray absorption spectroscopy (NEXAFS) is widely used to probe the chemistry and structure of surface layers. Moreover, using ultra-high brilliance polarised synchrotron light sources, it is possible to determine the molecular alignment of ultra-thin surface films. However, the quantitative analysis of NEXAFS data is complicated by many experimental factors and, historically, the essential methods of calibration, normalisation and artefact removal are presented in the literature in a somewhat fragmented manner, thus hindering their integrated implementation as well as their further development. This paper outlines a unified, systematic approach to the collection and quantitative analysis of NEXAFS data with a particular focus upon carbon K-edge spectra. As a consequence, we show that current methods neglect several important aspects of the data analysis process, which we address with a combination of novel and adapted techniques. We discuss multiple approaches in solving the issues commonly encountered in the analysis of NEXAFS data, revealing the inherent assumptions of each approach and providing guidelines for assessing their appropriateness in a broad range of experimental situations.