948 resultados para Crystal Structure, Brucine, Proton Transfer, Hydrogen Bonding, Citrates


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The effects of growth temperature and V/III ratio on the morphology and crystallographic phases of InP nanowires that are grown by metal organic chemical vapour deposition have been studied. We show that higher growth temperatures or higher V/III ratios promote the formation of wurtzite nanowires while zinc-blende nanowires are favourableat lower growth temperatures and lower V/III ratios. A schematic map of distribution of zinc-blende and wurtzite structures has been developed in the range of growth temperatures (400-510 °C) and V/III ratios (44 to 700) investigated in this study. © 2010 IOP Publishing Ltd.

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Ultraviolet photo-lithography is employed to introduce two-dimensional (2D) photonic crystal (PC) structure on the top surface of GaN-based light emitting diode (LED). PC patterns are transferred to 460-nm-thick transparent indium tin oxide (ITO) electrode by inductively coupled plasma (ICP) etching. Light intensity of PC-LED can be enhanced by 38% comparing with the one without PC structure. Rigorous coupled wave analysis method is performed to calculate the light transmission spectrum of PC slab. Simulation results indicate that total internal reflect angle which modulated by PC structure has been increased by 7 degrees, which means that the light extraction efficiency is enhanced outstandingly.

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Based on experimental results and theoretical analysis effects of the crystal structure on the optical and electrical properties of pyrite FeS2 films produced by thermally sulfurizing iron films at various temperatures have been systematically studied. The results indicate that the crystal structure and some related factors, such as the crystallization and the stoichiometry, remarkably influence the optical and electrical performances of the pyrite films. It is also shown that the preferred orientation of the crystal grain plays a major role in determining the crystal structure and the optical and electrical properties of the pyrite FeS2 films. Also we find that it is the crystal grains, rather than the particles that exercise a decisive influence on the electrical performance of pyrite films. (C) 2003 Elsevier Science B.V. All rights reserved.

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For enhancing the output efficiency of GaN light-emitting diode(LED), we calculated the band structure of photonic crystal(PhC), and designed and fabricated several novel GaN LEDs with photonic crystal on Indium-Tin-Oxide(ITO), which as p-type transparent contact of GaN LED. In this fabricating process, we developed conventional techniques in order that these methods can be easily applied to industrial volume-production. And we have done some preliminary experiments and obtained some results.

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After illumination with 1-1.3 eV photons during cooling-down, metastable PH modes are observed by IR absorption at 5 K in semi-insulating InP:Fe. They correlate with the photo-injection of holes, but not with a change of the charge state of the K-related centres present at equilibrium. They are explained by a change of the bonding of H, induced by hole trapping, from IR-inactive centres to PH-containing centres, stable only below 80 K. One metastable centre has well-defined geometrical parameters and the other one could be located in a region near from the interface with (Fe,P) precipitates.

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The behaviors of double proton transfer (DPT) occurring in a representative glycinamide-formamidine complex have been investigated employing the B3LYP/6-311++G** level of theory. Computational results suggest that the participation of a formamidine molecule favors the proceeding of the proton transfer (PT) for glycinamide compared with that without mediator-assisted case. The DPT process proceeds with a concerted mechanism rather than a stepwise one since no zwitterionic complexes have been located during the DPT process. The barrier heights are 14.4 and 3.9 kcal/mol for the forward and reverse directions, respectively. However, both of them have been reduced by 3.1 and 2.9 kcal/mol to 11.3 and 1.0 kcal/mol with further inclusion of zero-point vibrational energy (ZPVE) corrections, where the lower reverse barrier height implies that the reverse reaction should proceed easily at any temperature of biological importance. Additionally, the one-electron oxidation process for the double H-bonded glycinamide-formamidine complex has also been investigated. The oxidated product is characterized by a distonic radical cation due to the fact that one-electron oxidation takes place on glycinamide fragment and a proton has been transferred from glycinamide to formamidine fragment spontaneously. As a result, the vertical and adiabatic ionization potentials for the neutral double H-bonded complex have been determined to be about 8.46 and 7.73 eV, respectively, where both of them have been reduced by about 0.79 and 0.87 eV relative to those of isolated glycinamide due to the formation of the intermolecular H-bond with formamidine. Finally, the differences between model system and adenine-thymine base pair have been discussed briefly.

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A series of complex perovskite solid solutions of Ba[(Mg1-xCdx)(0.33)Nb-0.67]O-3 have been synthesized by the columbite method. Detailed Rietveld refinement of their X-ray diffraction data show that Ba[(Mg1-xCdx)0(.33)Nb(0.67)]O-3 has an order trigonal structure. The ordering degree as determined by the B-site occupancies increases with the partial substitution of Cd for Mg.

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This paper describes the formation of fibril like aggregates from the self-assembly of block copolymer mixture (polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP) and polystyrene-b-poly(acrylic acid) (PS-b-PAA)) via interpolymer hydrogen bonding in nonselective solvent. The hydrogen bonding between P4VP and PAA in chloroform leads to the formation of complex. When all the pyridine units in P4VP were all hydrogen bonded to acrylic acid in PAA, the formed complex is insoluble, resulting in the formation of spherical micellar aggregates and nanorods.