Materials Literature
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We predict a previously unknown phase transformation from wurtzite to a graphitelike (P6(3)/mmc) hexagonal structure in [0110]-oriented ZnO nanowires under uniaxial tensile loading. Molecular dynamics simulations and first principles calculations show that this structure corresponds to a distinct minimum on the enthal…
We apply an analysis of time-dependent spin-polarized current in a semiconductor channel at room temperature to establish how the magnetization configuration and dynamics of three ferromagnetic terminals, two of them biased and third connected to a capacitor, affect the currents and voltages. In a steady state, the vo…
Parallel Molecular Dynamics simulations are conducted for describing growth on surfaces with different kind of roughness: a perfect ordered crystalline flat graphite surface, a disordered rough graphite surface and flat surface with an ordered localized defect. It is shown that disordered rough surfaces results in a f…
A remarkable progress towards functional ferromagnetic semiconductor materials for spintronics has been achieved in p-type (Ga,Mn)As. Robust hole-mediated ferromagnetism has, however, been observed also in other III-V hosts such as antimonides, GaP or (Al,Ga)As which opens a wide area of possibilities for optimizing t…
We report fluorescence blinking statistics measured from single CdSe nanorods (NRs) of seven different sizes with aspect ratio ranging from 3 to 11. This study included core/shell CdSe/ZnSe NRs and core NRs with two different surface ligands producing different degrees of surface passivation. We compare the findings f…
The properties of ferroelectric-ferroelastic twin boundaries in tetragonal $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$-like crystals are analyzed in the framework of the phenomenological Ginzburg-Landau-Devonshire model. Special attention is paid to the introduction and appreciation of the gradient and dipole-dipole term…
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Ni5Zn21 alloy nanowires were fabricated through template-assisted electrochemical deposition method. The morphology and microstructures of as-deposited nanowires were determined by field-emission scanning electron microscope (FE-SEM), X-ray diffraction (XRD), high-resolution transmission electron microscope (HRTEM), e…
The title chiral photochromic Schiff base compound, C15H14BrNO, was synthesized from (R)-1-phenylethylamine and 5-bromosalicylaldehyde. The molecule is the phenol–imine tautomer, the C=N and N—C bond distances being 1.261 (7) and 1.482 (7) Å, respectively. There is an intramolecular O—H⋯N hydrogen bond with an O⋯…
Transparent, conducting, aluminum-doped zinc oxide (AZO) thin films were deposited on Corning 1737 glass by a DC magnetron sputter. The structural, electrical, and optical properties of the films, deposited using various substrate temperatures, were investigated. The AZO thin films were fabricated with an AZO ceramic…
The preparation and structural characterization of a novel Ti-O-Ti bonding complex constructed in a dilacunary alpha-Keggin polyoxometalate (POM), [[{Ti(ox)(H2O)}4(mu-O)3](alpha-PW10O37)](7-) (H2ox = oxalic acid) (1a), are described. The water-soluble, crystalline complex with a formula of K6H[1a].0.5KCl.10H2O (1p) wa…
The design of a new class of fluorophores is presented. Some push-pull chromophores (D-pi-A) containing polyphenylethynyl units and a phosphane oxide moiety were efficiently prepared from common intermediates. Straightforward syntheses gave novel one-armed, rod-shaped and three-armed, star-shaped fluorophores. The opt…
Nucleophilic aromatic substitution reactions of fluoronitro-substituted aromatic compounds with poly(vinylamine) (PVAm)/silica adsorbates were studied to equip silica particles with primary amino as well as several chromophoric groups. 4-Fluoronitrobenzene ( 1, 4-FNB), 2-fluoronitrobenzene ( 2, 2-FNB), 4-fluoro-3-nitr…
The spark anodization behavior of alpha/beta Ti6Al4V and Ti6Al7Nb alloys and of alpha c.p. Ti in H2SO4, H3PO4, and mixtures of these acids was studied. Chemical depth profiling revealed oxides purified with respect to the substrate alloying elements. This was particularly pronounced on Ti alloys spark anodized in H2SO…
Polyether polyurethanes are subject to oxidation catalyzed by, and through direct (redox) reaction with transition metal ions (metal ion oxidation, MIO). The source of the ions is corrosion of metallic parts within an implanted device. A Shore 80A polyether polyurethane was modified with fluoropolymer (E80AF) or polye…
Abstract Two series of novel fluorinated poly(ether imide)s (coded IIIA and IIIB ) were prepared from 2,6‐bis(3,4‐dicarboxyphenoxy)naphthalene dianhydride and 2,7‐bis(3,4‐dicarboxyphenoxy)naphthalene dianhydride, respectively, with various trifluoromethyl‐substituted aromatic bis(ether amine)s by a standard two‐step p…
The phase-field-crystal model [K. R. Elder and M. Grant, Phys. Rev. E 70, 051605 (2004)] produces multigrain structures on atomistic length scale but on diffusive time scales. Since individual atoms are resolved but are treated identically it is difficult to distinguish the exact position of grain boundaries and defec…
The orientations of both a nematic liquid crystal fluid and a series of monodisperse glassy−nematic oligofluorenes were investigated on photoalignment films comprising a polymethacrylate backbone with 7-benzoyloxycoumarin pendants. Both classes of liquid crystalline material were found to undergo a transition from a p…
In this paper the synthesis and characterization of two series wholly aromatic, main-chain, reactive liquid crystalline oligomers is reported. Phenylethynyl end-capped oligomers, based on 4-hydroxybenzoic acid (HBA) and 6-hydroxy-2-naphthoic acid (HNA), were successfully synthesized using standard high-temperature mel…
A quantum chemical study of the efficiency of some o-, m-, and p-substituted benzohydrazides, cinnamohydrazide, and Schiff bases derived from salcylaldehyde with o-substituted anilines, psubstituted benzaldehydes with 2-aminopyridine and 2-aminopyrimidine, benzaldehyde and cinnamaldehyde with p-phenylenediamine as cor…