First-principle studies on the electronic structure of Fe3O4(110) surface

The first-principle was employed to study the six possible models for the Fe₃O₄(110) surface, namely the AB-terminated surface (AB model), the AB-terminated with Fe_A vacancy (AB-Fe_A vac model), the AB-terminated with Fe_B vacancy (AB-Fe_B vac model), the B-terminated surface (B model), the B-terminated surface with Fe_B vacancy (B-Fe_B vac model) and the B-terminated surface with O vacancy (B-O vac model). The stability, the electronic structure and the magnetic properties of the six surface models were also calculated. The results predict that the B-O vac model is more stable than other types of surface models. The half-metallic property remain in the AB and B models, while the other four surface models exhibit metallic properties. At the same time, the AB, AB-Fe_A vac, AB-Fe_B vac, B and the B-Fe_B vac models have ferrimagnetic properties, while the B-O vac model has antiferromagnetic property.      

A Nonlinear Drift - Diffusion System with Electric Convection Arising in Electrophoretic and Semiconductor Modeling

A multi-dimensional transient drift-diffusion model for (at most) three charged particles, consisting of the continuity equations for the concentrations of the species and the Poisson equation for the electric potential, is considered. The diffusion terms depend on the concentrations. Such a system arises in electrophoretic modeling of three species (neutrally, positively and negatively charged) and in semiconductor theory for two species (positively charged holes and negatively charged electrons). Diffusion terms of degenerate type are also possible in semiconductor modeling. For the initial boundary value problem with mixed Dirichlet - Neumann boundary conditions and general reaction rates, a global existence result is proved. Uniqueness of solutions follows in the Dirichlet boundary case if the diffusion terms are uniformly parabolic or if the initial and boundary densities are strictly positive. Finally, we prove that solutions exist which are positive uniformly in time and globally bounded if the reaction rates satisfy appropriate growth conditions.     

Characterization of electrodeposited nickel film surfaces using atomic force microscopy

Microstructures of nickel surfaces electrodeposited on indium tin oxides coated glasses are investigated using atomic force microscopy. The fractal dimension D and Hurst exponent H of the nickel surface images are determined from a frequency analysis method proposed by Aguilar et al. [J. Microsc. 172 (1993) 233] and from Hurst rescaled range analysis. The two methods are found to give the same value of the fractal dimension D∼2.0. The roughness exponent α and growth exponent β that characterize scaling behaviors of the surface growth in electrodeposition are calculated using the height-difference correlation function and interface width in Fourier space. The exponents of α∼1.0 and β∼0.8 show that the surface growth does not belong to the universality classes theoretically predicted by statistical growth models.     

含铒碲酸盐玻璃的上转换荧光性质研究

在室温下,用804nm波长的半导体激光器作激发源,在TeO_2-PbO基掺铒碲酸盐玻璃中实现了中心波长分别为525nm,550nm和660nm的上转换发射.荧光强度与激发功率呈非线性关系.估测了PbO含量对上转换荧光相对强度的影响.     

Mittlere Schwingungsamplituden von OTeF 5 −

Summary Mean amplitudes of vibration for OTeF ₅ ^– have been calculated from known spectroscopic and structural data in a wide temperature range. The results are briefly discussed in comparison with those of related species.

     

Influence of preparation methods on structure and properties of PA6/PA66 blends: A comparison of melt‐mixing and in situ blending

The blends composed of polyamide 6 (PA6) and polyamide 66 (PA66) were obtained using two different preparation methods, one of which was the melt‐mixing through a twin‐screw extruder and the subsequent injection molding; and the other, the in situ blending through anionic polymerization of ε‐caprolactam in the presence of PA66. For the former, there existed a remarkable improvement in toughness but a drastic drop in strength and modulus; however, for the latter, a reverse but less significant trend of mechanical properties change appeared. Various characterizations were conducted, including the analyses of crystalline morphology, crystallographic form, and crystallization and melting behaviors using polarized optical microscopy (POM), wide‐angle X‐ray diffraction (WAXD), and differential scanning calorimetry (DSC), respectively; observation of morphology of fractured surface with scanning electron microscope (SEM); measurement of glass transition through dynamic mechanical analysis (DMA); and the intermolecular interaction as well as the interchange reaction between the two components by Fourier transform infrared spectrometry (FT‐IR) and ¹³C solution NMR. The presence and absence of interchange reaction was verified for the in situ and melt‐mixed blends, respectively. It is believed that the transreaction resulted in a drop in glass transition temperature (T_g) for the in situ blends, contrary to an increase of T_g with increasing PA66 content for the melt‐mixed ones. And the two kinds of fabrication methods led to significant differences in the crystallographic form, spherulite size and crystalline content and perfection as well. Accordingly, it is attempted to explain the reasons for the opposite trends of changes in the mechanical properties for these two blends. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1176–1186, 2007     

Synthesis and optoelectronic properties of silole‐containing polyfluorenes with binary structures

2,5‐Bis(2‐bromofluorene‐7‐yl)silole was prepared by a modified one‐pot synthesis with a reverse addition procedure, from which novel silole‐containing polyfluorenes with binary random and alternating structures (silole contents between 4.5 and 25% and high M_w up to 509 kDa were successfully synthesized. The well‐defined repeating unit of the alternating copolymer comprises a terfluorene and a silole ring. Optoelectronic properties including UV absorption, electrochemistry, photoluminescence (PL), and electroluminescence (EL) of the copolymers were examined. The different excitation energy transfers from fluorene to silole of the copolymers in solution and in the solid state were compared. The films of the copolymers showed silole‐dominant green emissions with high absolute PL quantum yields up to 83%. EL devices of the copolymers with a configuration of ITO/PEDOT/copolymer/Ba/Al displayed exclusive silole emissions peaked at around 543 nm and the highest EL efficiency was achieved with the alternating copolymer. Using the alternating copolymer and poly(9,9‐dioctylfluorene) as the blend‐type emissive layer, a maximum external quantum efficiency of 1.99% (four times to that of the neat film) was realized, which was a high efficiency so far reported for silole‐containing polymers. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 756–767, 2007     

A new formula for the saddle-to-scission time

We propose a new formula for the saddle-to-scission time that is more general that the one based on Kramers' approach. Its validity and applicability is then studied in detail. Such a formula is useful for the evaluation of the fission time of very heavy nuclei.     

Insight into chain dimensions in PEO/water solutions

Small‐Angle Neutron Scattering has been performed from poly(ethylene oxide) in deuterated water at temperature ranging from 10 to 80 °C. A simple fitting model was used to obtain a correlation length and a Porod exponent. The correlation length L characterizes the average distance between entanglements in the semidilute region and is proportional to the individual coil sizes in the dilute region. L was found to increase with temperature in the semidilute region but it decreases with temperature in the dilute region. This decrease is the precursor to the single‐chain collapse which applies to very dilute polymer solutions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2196–2200, 2007     

Anomalous electric-field effect and glassy behaviour in granular aluminium thin films: electron glass?

We present a study of non-equilibrium phenomena observed in the electrical conductance of insulating granular aluminium thin films. An anomalous field effect and its slow relaxation are studied in some detail. The phenomenology is very similar to the one already observed in indium oxide. The origin of the phenomena is discussed. In granular systems, the present experiments can naturally be interpreted along two different lines. One relies on a slow polarisation in the dielectric surrounding the metallic islands. The other one relies on a purely electronic mechanism: the formation of an electron Coulomb glass in the granular metal. More selective experiments and/or quantitative predictions about the Coulomb glass properties are still needed to definitely distinguish between the two scenarios.