Chemical trends of defect formation in Si quantum dots: The case of group-III and group-V dopants

Using first-principles methods, we have systematically calculated the defect formation energies and transition energy levels of group-III and group-V impurities doped in H passivated Si quantum dots (QDs) as functions of the QD size. The general chemical trends found in the QDs are similar to that found in bulk Si. We show that defect formation energy and transition energy level increase when the size of the QD decreases; thus, doping in small Si QDs becomes more difficult. B-Si has the lowest acceptor transition energy level, and it is more stable near the surface than at the center of the H passivated Si QD. On the other hand, P-Si has the smallest donor ionization energy, and it prefers to stay at the interior of the H passivated Si QD. We explained the general chemical trends and the dependence on the QD size in terms of the atomic chemical potentials and quantum confinement effects.

Formation of regular hole pattern in polymer films

Ordered macroporous materials recently have attracted much attention. A method that utilizes the condensation of monodisperse water droplets on a polymer solution is proposed for the preparation of honeycomb microporous films. Our results show that it is a general method that can be used for patterning a wide range of polymers. The presence of water vapor and polymer is necessary for the formation of regular holes in films. The formation of hexagonal packing instead of other kinds of packing takes place because the hexagonal packing has the lowest free energy. The formation mechanisms of regular hole pattern and imperfections in the hexagonal packing are proposed.

Formation of X-waves at fundamental and harmonics by infrared femtosecond pulse filamentation in air

We experimentally observe the formation of X-waves at fundamental, third harmonic, and fifth harmonic wavelengths by infrared (central wavelength at similar to 1500 nm) femtosecond laser pulse filamentation in air. By fitting the angularly resolved spectra of the fundamental and harmonic waves using X-wave relations, we confirm that all the X-waves have nearly the same group velocity, indicating that they are locked in space and time during their propagation in filament.

Formation of nanogratings on the surface of a ZnSe crystal irradiated by femtosecond laser pulses

Two collinear femtosecond laser pulses, one at wavelength of 800 nm and the other at 400 nm (double frequency), simultaneously irradiated the surface of ZnSe crystal, which resulted in regular nanograting with period of 180 nm on the whole ablation area. We attribute the formation of the nanograting to be due to the interference between the surface scattered wave of 800 nm lasers and the 400 nm light. The period of the nanograting Lambda is about lambda/2n, where n is refractive index of the sample, and lambda, the laser wavelength. This mechanism is supported by observation of rotation of the nanograting with the polarization of 400 nm light, and by the dependence of Lambda similar to lambda of the nanoripples on the surface of semiconductors and dielectrics.

Nonlinear X-wave formation and conical emission at different powers of a femtosecond laser pulse in water

Nonlinear X-wave formation at different pulse powers in water is simulated using the standard model of nonlinear Schrodinger equation (NLSE). It is shown that in near field X-shape originally emerges from the interplay between radial diffraction and optical Kerr effect. At relatively low power group-velocity dispersion (GVD) arrests the collapse and leads to pulse splitting on axis. With high enough power, multi-photon ionization (NIPI) and multi-photon absorption (MPA) play great importance in arresting the collapse. The tailing part of pulse is first defocused by MPI and then refocuses. Pulse splitting on axis is a manifestation of this process. Double X-wave forms when the split sub-pulses are self-focusing. In the far field, the character of the central X structure of conical emission (CE) is directly related to the single or double X-shape in the near field. (c) 2007 Elsevier B.V. All rights reserved.

TMVA, a novel GPIb-binding protein, significantly prevents platelet microthrombi formation and prolongs discordant cardiac xenograft survival

In xenotransplantation, donor endothelium is the first target of immunological attack. Activation of the endothelial cell by preformed natural antibodies leads to platelet binding via the interaction of the glycoprotein (GP) Ib and von Willebrand factor (vWF). TMVA is a novel GPIb-binding protein purified from the venom of Trimeresurus mucrosquamatus. In this study, the inhibitory effect of TMVA on platelet aggregation in rats and the effect on discordant guinea pig-to-rat cardiac xenograft survival were investigated. Three doses (8, 20 or 40 mug/kg) of TMVA were infused intravenously to 30 rats respectively. Platelet aggregation rate was assayed 0.5, 12, and 24 h after TMVA administration. Wister rats underwent guinea pig cardiac cervical heterotopic transplantation using single dosing of TMVA (20 mug/kg, i.v., 0.5 h before reperfusion). Additionally, levels of TXB2 and 6-keto-PGF(1alpha) within rejected graft tissues were determined by radioimmunoassay. Treatment with TMVA at a dose of 20 or 40 mug/kg resulted in complete inhibition of platelet aggregation 0.5 h after TMVA administration. Rats receiving guinea pig cardiac xenografts after TMVA therapy had significantly prolonged xenograft survival. Histologic and immunopathologic analysis of cardiac xenografts in TMVA treatment group showed no intragraft platelet microthrombi formation and fibrin deposition. Additionally, the ratio of 6-keto-PGF(1alpha) to TXB2 in TMVA treatment group was significantly higher than those in control group. We conclude that the use of this novel GPIb-binding protein was very effective in preventing platelet microthrombi formation and fibrin deposition in a guinea pig-to-rat model and resulted in prolongation of xenograft survival. The increased ratio of PGI(2)/TXA(2) in TMVA treatment group may protect xenografts from the endothelial cell activation and contribute to the prolongation of xenograft survival.

A gene cluster that regulates both heterocyst differentiation and pattern formation in Anabaena sp strain PCC 7120

Wild-type Anabaena sp. strain PCC 7120, a filamentous nitrogen-fixing cyanobacterium, produces single heterocysts at semi-regular intervals. asr0100 (patU5) and alr0101 (patU3) are homologous to the 5' and 3' portions of patU of Nostoc punctiforme. alr0099 (hetZ) overlaps the 5' end of patU5. hetZ, patU5 and patU3 were all upregulated, or expressed specifically, in proheterocysts and heterocysts. Mutants of hetZ showed delayed or no heterocyst differentiation. In contrast, a patU3 mutation produced a multiple contiguous heterocyst (Mch) phenotype and restored the formation of otherwise lost intercalary heterocysts in a patA background. Decreasing the expression of patU3 greatly increased the frequency of heterocysts in a mini-patS strain. Two promoter regions and two principal, corresponding transcripts were detected in the hetZ-patU5-patU3 region. Transcription of hetZ was upregulated in a hetZ mutant and downregulated in a patU3 mutant. When mutants hetZ::C.K2 and hetZ::Tn5-1087b were nitrogen-deprived, P-hetC-gfp was very weakly expressed, and in hetZ::Tn5-1087b, P-hetR-gfp was relatively strongly expressed in cells that had neither a regular pattern nor altered morphology. We conclude that the hetZ-patU5-patU3 cluster plays an important role in co-ordination of heterocyst differentiation and pattern formation. The presence of homologous clusters in filamentous genera without heterocysts is suggestive of a more general role.

Effects of annealing ambient on the formation of compensation defects in InP

Positron annihilation lifetime (PAL) and photoinduced current transient spectroscopies (PICTS) have been employed to study the formation of compensation defects in undoped InP under different annealing processes with pure phosphorus (PP) ambience and iron phosphide (IP) ambience, respectively. The different annealing ambiences convert the as-grown n-type undoped InP into two types of semi-insulating (SI) states. The positron average lifetimes of as-grown InP, PP SI-InP, and IP SI-InP are found to be 246, 251, and 243 ps, respectively, which are all longer than the bulk lifetime of 240 ps, indicating the existence of vacancy-type positron-trapping defects. For as-grown InP, VInH4 complexes are the dominant defects. They dissociate into VInHn(0less than or equal tonless than or equal to3) acceptor vacancies under PP ambience annealing, compensating the residual shallow donors and turning the material semi-insulating. In forming IP SI-InP, diffusion of iron into V-In complexes under IP ambience annealing produces the substitutional compensation defect Fe-In, causing a shorter positron average lifetime. The PICTS measurements show that a group of vacancy-type defects has been suppressed by iron diffusion during the annealing process, which is in good agreement with the PAL results. (C) 2003 American Institute of Physics.

Formation of ordered microphase-separated pattern during spin coating of ABC triblock copolymer

In this paper, the authors have systematically studied the microphase separation and crystallization during spin coating of an ABC triblock copolymer, polystyrene-b-poly(2-vinylpyridine)-b-poly(ethylene oxide) (PS-b-P2VP-b-PEO). The microphase separation of PS-b-P2VP-b-PEO and the crystallization of PEO blocks can be modulated by the types of the solvent and the substrate, the spinning speed, and the copolymer concentration. Ordered microphase-separated pattern, where PEO and P2VP blocks adsorbed to the substrate and PS blocks protrusions formed hexagonal dots above the P2VP domains, can only be obtained when PS-b-P2VP-b-PEO is dissolved in N,N-dimethylformamide and the films are spin coated onto the polar substrate, silicon wafers or mica. The mechanism of the formation of regular pattern by microphase separation is found to be mainly related to the inducement of the substrate (middle block P2VP wetting the polar substrate), the quick vanishment of the solvent during the early stage of the spin coating, and the slow evaporation of the remaining solvent during the subsequent stage. On the other hand, the probability of the crystallization of PEO blocks during spin coating decreases with the reduced film thickness. When the film thickness reaches a certain value (3.0 nm), the extensive crystallization of PEO is effectively prohibited and ordered microphase-separated pattern over large areas can be routinely prepared.

Formation of nonextinct ring-banded textures and multistacked lamella of tetra-aniline-block-poly(L-lactide) rod-coil diblock oligomer films induced by solvent vapor treatment

The self-assembly processes of the rod-coil diblock oligomer thin film of tetra-aniline (TANI)-block-poly(L-lactide) (PLLA) with different film thicknesses induced in the coil-selective solvent of acetone vapor at room temperature were studied. The morphologies of the oligomer films were determined by the film thickness. For the thicker film (232 nm), the nonextinct concentric ring-banded textures could form. While for the thinner and appropriate film (about 6 nm), multistacked diamond-shaped appearances with the periodic thickness being about 8.5 nm(6-nm-thick extended PLLA chain and 2.5-nm-thick p-pi conjugating TANI bimolecular layer) formed. The possible formation models of those two regular morphologies were presented in detail.

The influencing factors on the macroporous formation in polymer films by water droplet templating

Regular micrometer-size porous polystyrene film is prepared by water droplet templating, i.e. breath figures are stabilized by the polymer in solution and thermocapillary flow arranges them into ordered packing. The influences of polystyrene molecular weight, solvent properties, and the relative humidity of atmosphere on the pattern formation and hole sizes are investigated. Two different kinds of hole packing fashion are also observed and their formation mechanisms are discussed.

How to form regular polymer microstructures by surface-pattern-directed dewetting

The substrates with regular patterns of self-assembly monolayers (SAMs) produced by microcontact printing with octadecyltrichlorosilane (OTS) was employed to direct thin polystyrene dewetting to fabricate ordered micrometer scale pattern. The pattern sizes and pattern fashion can be manipulated by controlling the experimental parameters. The pattern formation mechanisms have been discussed. The dewetting pattern can be transferred to form PDMS stamp for future microfabrication process.

Formation of a metastable phase induced by a liquid crystalline phase in a novel chloropoly(aryl ether ketone)

The phase transition behavior of a thermotropic liquid crystalline poly(aryl ether ketone) synthesized by nucleophilic substitution reactions of 4,4'-biphenol (BP), and chlorohydroquinone (CH) with 1,4-bis(4-fluorobenzoyl)benzene (BF) has been investigated by differential scanning calorimetry (DSC) and wide angle X-ray diffraction (WAXD). The copolymer exhibits multiple first order phase transitions, which are associated with crystal-to-smectic liquid crystal transition and smectic liquid crystal-to-isotropic transition. When the cooling rate is low (<10C/min), only stable crystal from I is formed. With the cooling rate being high (>20 degreesC/min), the metastable crystal form II is formed, which always coexists with form I. The liquid crystalline phase plays an important role in the formation of metastable phase form II.

Formation of a self-assembled monolayer of 2-mercapto-3-n-octylthiophene on gold

Monolayer assembly of 2-mercapto-3-n-octylthiophene (MOT) having a relatively large headgroup onto gold surface from its dilute ethanolic solutions has been investigated by electrochemistry. An electrochemical capacitance measurement on the permeability of the monolayer to aqueous ions, as compared with its alkanethiol counterpart [CH3(CH2)(9)SH (DT)] with a similar molecular length, shows that the self-assembled monolayers (SAMs) of MOT can be penetrated by aqueous ions to some extent. Furthermore, organic molecular probes, such as dopamine, can sufficiently diffuse into the monolayer because a diffusion-limited current peak is observed when the dopamine oxidation reaction takes place, showing that the monolayer is loosely packed or dominated by defects. But the results of electron transfer to aqueous redox probes (including voltammetry in Fe(CN)(6)(3-/4-) solutions and electrochemical ac impedance spectrum) confirm that the monolayer can passivate the gold electrode surface effectively for its very low ratio of pinhole defects. Moreover, a heterogeneous patching process involving addition of the surfactants into the SAMs provides a mixed or hybrid membrane that has superior passivating properties. These studies show that the MOT monolayer on the electrode can provide an excellent barrier for hydrated ionic probe penetration but cannot resist the organic species penetration effectively. The unusual properties of the SAMs are attributed to the entity of the relatively large thiophene moiety between the carbon chain and the thiol group.

Single crystal structure of form I syndiotactic poly(butene-1)

The structures of single crystals of syndiotactic poly(butene-1) in form I, produced by thin-film growth, are studied by transmission electron microscopy and electron diffraction. Bright-field electron microscopy observation shows that the single crystal exhibits a regular rectangular shape with the long axis along its crystallographic b-axis. Electron diffraction results indicate an isochiral C-centered packing of a-fold helical chains in an orthorhombic unit cell corresponding to the C222(1) space group, according to the model proposed in the literature. The differences with the polymorphic behavior of syndiotactic polypropylene concerning the formation and the stability of the isochiral mode of packing are outlined.