THEORY OF THE ELECTRONIC-STRUCTURE OF POROUS SI

A theoretical model for the electronic structure of porous Si is presented. Three geometries of porous Si (wire with square cross section, pore with square cross section, and pore with circular cross section) along both the [001] and [110] directions are considered. It is found that the confinement geometry affects decisively the ordering of conduction-band states. Due to the quantum confinement effect, there is a mixing between the bulk X and GAMMA states, resulting in finite optical transition matrix elements, but smaller than the usual direct transition matrix elements by a factor of 10(-3). We found that the strengths of optical transitions are sensitive to the geometry of the structure. For (001) porous Si the structure with circular pores has much stronger optical transitions compared to the other two structures and it may play an important role in the observed luminescence. For this structure the energy difference between the direct and the indirect conduction-band minima is very small. Thus it is possible to observe photoluminescence from the indirect minimum at room temperature. For (110) porous Si of similar size of cross section the energy gap is smaller than that of (001) porous Si. The optical transitions for all three structures of (110) porous Si tend to be much stronger along the axis than perpendicular to the axis.

Analysis of the optical confinement factor in semiconductor lasers

We derive formulas for the optical confinement factor Gamma from Maxwell's equations for TE and TM modes in the slab waveguide. The numerical results show that the formulas yield correct mode gain for the modes propagating in the waveguide. We also compare the formulas with the standard definition of Gamma as the ratio of power flow in the active region to the total power flow. The results show that the standard definition will underestimate the difference of optical confinement factors between TE and TM modes, and will underestimate the difference of material gains necessary for polarization insensitive semiconductor laser amplifiers. It is important to use correct optical confinement factors for designing polarization insensitive semiconductor laser amplifiers. For vertical cavity surface-emitting lasers, the numerical results show that Gamma can be defined as the proportion of the product of the refractive index and the squared electric field in the active region. (C) 1996 American Institute of physics.

STUDY OF THE LONG-TERM STABILITY OF THE EFFECTIVE CONCENTRATION OF IONIZED SPACE CHARGES (N-EFF) OF NEUTRON-IRRADIATED SILICON DETECTORS FABRICATED BY VARIOUS THERMAL-OXIDATION PROCESSES

Experimental study of the reverse annealing of the effective concentration of ionized space charges (N-eff, also called effective doping or impurity concentration) of neutron irradiated high resistivity silicon detectors fabricated on wafers with various thermal oxides has been conducted at room temperature (RT) and elevated temperature (ET). Various thermal oxidations with temperatures ranging from 975 degrees C to 1200 degrees C with and without trichlorethane (TCA), which result in different concentrations of oxygen and carbon impurities, have been used. It has been found that, the RT annealing of the N-eff is hindered initially (t < 42 days after the radiation) for detectors made on the oxides with high carbon concentrations, and there was no carbon effect on the long term (t > 42 days after the radiation) N-eff reverse annealing. No apparent effect of oxygen on the stability of N-eff has been observed at RT. At elevated temperature (80 degrees C), no significant difference in annealing behavior has been found for detectors fabricated on silicon wafers with various thermal oxides. It is apparent that for the initial stages (first and/or second) of N-eff reverse annealing, there may tie no dependence on the oxygen and carbon concentrations in the ranges studied.

A study of the influence of initial liquid volume on the capillary flow in an interior corner under microgravity

In this work the influence of initial liquid volume on the capillary flow in an interior corner is studied systematically by microgravity experiments using the drop tower, under three different conditions: the Concus-Finn condition is satisfied,close to and dissatisfied. The capillary flow is studied by discussing the movement of tip of the meniscus in the corner. Experimental results show that with the increase of initial liquid volume the tip location increases for a given microgravity time, the achievable maximum tip velocity increases and the flow reaches its maximum tip velocity earlier However, the results for the three different conditions show some difference. (C) 2010 Elsevier Ltd All rights reserved

Influence of two different representations of the G-matrix to the in-medium nucleon-nucleon cross sections

We calculate the in-medium nucleon-nucleon scattering cross sections from the G-matrix using the Dirac-Brueckner-Hartree-Fock (DBHF) approach. And we investigate the influence of the different representations of the G-matrix to the cross sections, the difference of which is mainly from the different effective masses.

Entrance channel dependence of the correlation function of IMFs in Ar-36+Sn-112,Sn-124 at 35MeV/u

The reduced velocity correlation functions of the Intermediate Mass Fragments (IMFs) were measured in the reactions of Ar-36+ Sn-112,Sn-124 at 35MeV/u. The anti-correlation at small reduced velocities is more pronounced in Ar-36+ Sn-124 system than that in Ar-36+ Sn-112 system. The difference of the correlation functions between the two reactions is mainly contributed by the particle pairs with high momenta. A three-body Coulomb repulsive trajectory code (MENEKA) is employed to calculate the emission time scale of IMFs for-the both systems. The time scale is 150fm/c in the Ar-36+ Sn-112 system and 120fm/c in the Ar-36+ Sn-124 system, respectively. A calculation based on an Isospin dependence Quantum Molecular Dynamics code (IQMD) reveals that the emission time spectrum of IMFs is shifted slightly leftwards in Ar-36+ Sn-124 compared with that in the Ar-16+ Sn-112 system, indicating a shorter emission time scale. Correspondingly, the central density of the hot nuclei decreases faster in Ar-36+ Sn-124 than in Ar-36+ Sn-112

A novel approach to isoscaling: The role of the order parameter m = N-f-Z(f)/A(f)

Isoscaling is derived within a recently proposed modified Fisher model where the free energy near the critical point is described by the Landau O(m(6)) theory. In this model m = N-f-Z(f)/A(f) is the order parameter, a consequence of (one of) the symmetries of the nuclear Hamiltonian. Within this framework we show that isoscaling depends mainly on this order parameter through the 'external (conjugate) field' H. The external field is just given by the difference in chemical potentials of the neutrons and protons of the two sources. To distinguish from previously employed isoscaling relationships, this approach is dubbed: m-scaling. We discuss the relationship between this framework and the standard isoscaling formalism and point out some substantial differences in interpretation of experimental results which might result. These should be investigated further both theoretically and experimentally. (C) 2010 Elsevier B.V. All rights reserved.

Theoretical studies of product polarization and state distributions of the H+HCl reaction

The angular momentum polarization and rotational state distributions of the H-2 and HCl products from the H + HCl reaction are calculated at a relative translational energy of 1.6 eV by using quasiclassical trajectories on two potential energy surfaces, one from G3 surface [T.C. Allison et al., J. Phys. Chem. 100 (1996) 13575], and the other from BW2 surface [W. Bian, H.-J. Werner, J. Chem. Phys. 112 (2000) 220]. Product rotational distributions obtained on the G3 potential energy surface (PES) are much closer to the experimental results (P.M. Aker et al., J. Chem. Phys. 90 (1989) 4795; J. Chem. Phys. 90 (1989) 4809) than the distributions calculated on the BW2 PES. The distributions of P(phi(r)) for the H-2 and HCl products obtained on the G3 PES are similar, whereas the rotational alignment effect of the H-2 product is stronger than that of the HCl product. In contrast to the polarization distributions obtained on the G3 PES, the rotational alignment effect of the two products calculated on the BW2 PES is similar. However, the abstraction reaction is dominated by out-of-plane mechanisms, while the exchange reaction is dominated by in-plane mechanisms. The significant difference of the product rotational polarization obtained on the G3 and BW2 PESs implies that the studies of the dynamical stereochemistry can provide a sensitive test for the accuracy of the PES. (C) 2002 Elsevier Science B.V. All rights reserved.

Synthesis and characteristics of the human serum albumin-triazine chiral stationary phase

Human serum albumin (HSA) was successfully bonded to silica with s-triazine as activator. The coupling reaction by this method was rapid and effective. The triazine-activated silica is relatively stable and can be installed for at least 1 month without obvious loss of reactivity when stored below 30 degreesC, pH below 7. It was observed that the amount of bound HSA reached 120 mg/g silica calculated from the UV absorbance difference of the HSA solution. d,l-tryptophan was selected as the probe solute to characterize the properties of HSA bonded s-triazine chiral stationary phase, and separation factor of 9.4 was obtained for d,l-tryptophan. Furthermore, the amount of effective HSA on silica was measured by high-performance frontal analysis, and only 16.8 mg/g silica was responsible for the resolution of d,l-tryptophan. These results indicate that the amount of both the bound and effective HSA on silica with triazine as activator was much higher than those by the Schiff base coupling method. Different kinds of enantiomers were resolved successfully on the aminopropylsilica-bonded HSA s-triazine chiral stationary phase. (C) 2000 Wiley-Liss, Inc.

Photo- and Thermo-Chromic Study of the Ethylenediamine Trimolybdate

The ethylenediamine trimolybdate (ENTMo) can show unusually photochromic and thermochromic properties and there exists in the difference of chromic mechanisms, which has been proved in our previous work [I]. In this paper, X-ray powder diffraction (XRD), Fourier transform infrared (FTIR) and laser Raman spectroscopy (LRS) of the colored samples are characterized and analyzed in detail. The crystal structure, the inorganic skeleton and the microenvironment of center ions of the colored samples do not substantively change except distortion. The color difference of the photochromic and the thermochromic samples is discussed and that the difference of reduction sites result in their different chromic mechanisms is suggested.

Colorimetric recognition of the coralyne-poly(dA) interaction using unmodified gold nanoparticle probes, and further detection of coralyne based upon this recognition system

Among the functional nucleic acids studied, adenine-rich nucleic acids have attracted attention due to their critical roles in many biological processes and self-assembly-based nanomaterials, especially deoxyribonucleic acids (abbreviated as poly(dA)). Therefore the ligands binding to poly(dA) might serve as potential therapeutic agents. Coralyne, a kind of planar alkaloid, has been firstly found that it could bind strongly to poly(dA). This work herein reports an approach for visual sensing of the coralyne-poly(dA) interaction. This method was based on the coralyne inducing poly(dA) into the homo-adenine DNA duplex and the difference in electrostatic affinity between single-stranded DNA and double-stranded DNA with gold nanoparticles (GNPs). Furthermore, we applied the recognition process of the interaction between coralyne and poly(dA) into specific coralyne detection with the assistance of certain software (such as Photoshop). A linear response from 0 to 728 nM was obtained for coralyne, and a detection limit of 91 nM was achieved.

Tuning the energy level and photophysical and electroluminescent properties of heavy metal complexes by controlling the ligation of the metal with the carbon of the carbazole unit

Four novel Ir-III and Pt-II complexes with cyclometalated ligands bearing a carbazole framework are prepared and characterized by elemental analysis, NMR spectroscopy, and mass spectrometry. Single-crystal X-ray diffraction studies of complexes 1, 3, and 4 reveal that the 3- or 2-position C atom of the carbazole unit coordinates to the metal center. The difference in the ligation position results in significant shifts in the emission spectra with the changes in wavelength being 84 nm for the Ir complexes and 63 nm for the Pt complexes. The electrochemical behavior and photophysical properties of the complexes are investigated, and correlate well with the results of density functional theory (DFT) calculations. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ(3)/LiF/Al can attain very high efficiencies.

Immobilization of the nanoparticle monolayer onto self-assembled monolayers by combined sterically enhanced hydrophobic and electrophoretic forces

The immobilization of surface-derivatized gold nanoparticles onto methyl-terminated self-assembled monolayers (SAMs) on gold surface was achieved by the cooperation of hydrophobic and electrophoretic forces. Electrochemical and scanning probe microscopy techniques were utilized to explore the influence of the SAM's structure and properties of the nanoparticle/SAM/gold system. SAMs prepared from 1-decanethiol (DT) and 2-mercapto-3-n-octylthiophene (MOT) were used as hydrophobic substrates. The DT SAM is a closely packed and organized monolayer, which can effectively block the underlying gold and inhibit a variety of solution species including organic and inorganic molecules from penetrating, whereas the MOT monolayer is poorly packed or disorganized (because of a large difference in dimension between the thiophene head and the alkylchain tail) and permeable to many organic probes in aqueous solution but not to inorganic probes. Thus, the MOT monolayer provides a more energetically favorable hydrophobic surface for the penetration and adsorption of organic species than the DT monolayer.

Mesoscopic simulation of the impregnating process of unidirectional fibrous preform in resin transfer molding

The resin transfer molding has gained popularity in the preparation of fiber-reinforced polymer-matrix composites because of its high efficiency and low pollution. The non-uniform inter-tow and intra-tow flows are regarded as the reason of void formation in RTM. According to the process characteristics, the axisymmetric model was developed to study the interaction between the flow in the inter-tow space and that in the intra-tow space. The flow behavior inside the fiber tows was formulated using Brinkman's equation, while that in the open space around the fiber tows was formulated by Stokes' equation. The volume of fluid (VOF) method was applied to track the flow front, and the effects of filling velocity, resin viscosity, inter-tow dimension and intra-tow permeability on fluid pressure and flow front were analyzed. The results show that the flow front difference between the inter-tow and intra-tow becomes larger with the decrease of intra-tow permeability, as well as the increase of filling velocity and inter-tow dimension.

Predicting the position of the spin-forbidden band for Tb3+ ions in crystal hosts

The energy difference DeltaE between the spin-allowed and spin-forbidden states of Tb3+ in crystals is studied. The environmental factor he representing the character of the host is redefined by using the chemical band of complex crystals. The relationship between h(e) and DeltaE is found to be a linear relation. The results show that the energy difference between the spin-forbidden and spin-allowed states for Tb3+ ions in crystals can be predicted from the environmental factor.