Theoretical study of the nonpolar surfaces and their oxygen passivation in 4H- and 6H-SiC

Structure and stability of nonpolar surfaces in 4H- and 6H-SiC have been investigated within the framework of a self-consistent charge density functional based tight binding method. The lowest energy stoichiometric surface is corrugated for (10 (1) over bar0) but atomically smooth for (11 (2) over bar0). The most stable clean surfaces are Si rich. independent of the growth conditions. Unlike the polar surfaces both nonpolar surfaces can completely be passivated by a single SiO2 adlayer

Theoretical study of the mechanism of dry oxidation of 4H-SiC

Possible defect structures, arising from the interaction of O-2 molecules with an ideal portion of the SiC/SiO2 interface, have been investigated systematically using density functional theory. Based on the calculated total energies and assuming thermal quasiequilibrium during oxidation, the most likely routes leading to complete oxidation have been determined. The defect structures produced along these routes will remain at the interface in significant concentration when stopping the oxidation process. The results obtained for their properties are well supported by experimental findings about the SiC/SiO2 interface. It is found that carbon-carbon bonds can explain most of the observed interface states but not the high density near the conduction band of 4H-SiC

CVaR minimization by the SRA algorithm

Using the risk measure CV aR in �nancial analysis has become more and more popular recently. In this paper we apply CV aR for portfolio optimization. The problem is formulated as a two-stage stochastic programming model, and the SRA algorithm, a recently developed heuristic algorithm, is applied for minimizing CV aR

Mechanochemical synthesis of crystalline and amorphous digold(i) helicates exhibiting anion- and phase-switchable luminescence properties

For the first time, mechanochemical synthesis has been used for the preparation of crystalline and amorphous dinuclear gold(i) helicates, [Au2L2](X)2 (L = xantphos; X = CF3SO3, SCN, BF4 and PF6), that show anion- and phase-switchable luminescence properties. This solid-state approach provides strategies for developing switchable luminescent materials

Mapping the nanomechanical properties of graphene suspended on silica nanoparticles

Using nanoparticles to impart extrinsic rippling in graphene is a relatively new method to induce strain and to tailor the properties of graphene. Here we study the structure and elastic properties of graphene grown by chemical vapour deposition and transferred onto a continuous layer of SiO2 nanoparticles with diameters of around 25 nm, prepared by Langmuir-Blodgett technique on Si substrate. We show that the transferred graphene follows only roughly the morphology induced by nanoparticles. The graphene membrane parts bridging the nanoparticles are suspended and their adhesion to the AFM tip is larger compared to that of supported graphene parts. These suspended graphene regions can be deformed with forces of the order of 10 nN. The elastic modulus of graphene was determined from indentation measurements performed on suspended membrane regions with diameters in the 100 nm range.Comment: in Journal of Experimental Nanoscience (2016

The A-kinase anchoring protein GSKIP regulates GSK3β activity and controls palatal shelf fusion in mice

A-kinase anchoring proteins (AKAPs) represent a family of structurally diverse proteins, all of which bind protein kinase A (PKA). A member of this family is Glycogen synthase kinase 3{beta} (GSK3{beta}) interaction protein (GSKIP). GSKIP interacts with PKA and also directly with GSK3{beta}. The physiological function of the GSKIP protein in vivo is unknown. We developed and characterized a conditional knockout mouse model and found that GSKIP deficiency caused lethality at birth. Embryos obtained through Caesarean section at embryonic day E18.5 were cyanotic, suffered from respiratory distress, and failed to initiate breathing properly. Additionally, all GSKIP-deficient embryos showed an incomplete closure of the palatal shelves accompanied by a delay in ossification along the fusion area of secondary palatal bones. On the molecular level, GSKIP deficiency resulted in decreased phosphorylation of GSK3{beta} at Ser9 starting early in development (E 10.5), leading to enhanced GSK3{beta} activity. At embryonic day 18.5 GSK3{beta} activity decreased to levels close to that of wild type. Our findings reveal a novel, crucial role for GSKIP in the coordination of GSK3{beta} signaling in palatal shelf fusion

Isolated oxygen defects in 3C- and 4H-SiC: A theoretical study

Ab initio calculations in the local-density approximation have been carried out in SiC to determine the possible configurations of the isolated oxygen impurity. Equilibrium geometry and occupation levels were calculated. Substitutional oxygen in 3C-SiC is a relatively shallow effective mass like double donor on the carbon site (O-C) and a hyperdeep double donor on the Si site (O-Si). In 4H-SiC O-C is still a double donor but with a more localized electron state. In 3C-SiC O-C is substantially more stable under any condition than O-Si or interstitial oxygen (O-i). In 4H-SiC O-C is also the most stable one except for heavy n-type doping. We propose that O-C is at the core of the electrically active oxygen-related defect family found by deep level transient spectroscopy in 4H-SiC. The consequences of the site preference of oxygen on the SiC/SiO2 interface are discussed

Introducing nanoscaled surface morphology and percolation barrier network into mesoporous silica coatings

Mesoporous silica thin films were patterned at the sub-micron scale utilizing the ion hammering effect in order to combine the advantages of mesoporous character and surface morphology, while preserving the interconnected pore system or creating laterally separated porous volumes surrounded by nonpermeable compact zones. Porous silica coatings were prepared by a sol-gel method with an ordered and disordered pore system using micellar templates. A hexagonally ordered Langmuir-Blodgett type monolayer of silica spheres was applied as a mask against Xe+ ion irradiation. The ion energy was chosen according to Monte-Carlo simulations to achieve structures with high lateral contrast between irradiated and unirradiated, i.e., masked areas. The disordered pore system proved to be more resistant against ion bombardment. Although the created surface morphologies were similar, the main character of the pore system could be tailored to be interconnected or separated by controlling the ion fluence. Confocal fluorescence images and ellipsometric porosimetry measurements confirmed that the contribution of transition zone between the intact masked and damaged regions to the porosity is negligible. Furthermore, the majority of the porous volume can be preserved as an interconnected pore system by the application of low ion fluence. By increasing the fluence value, however, separated porous volumes can be created at the expense of the total pore volume