Materials Literature
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We have re-examined the B-N distance potential of CH3CN-BF3 using MP2, DFT, and high-accuracy multicoefficient methods (MCG3 and MC-QCISD). In addition, we have solved a 1-D Schrödinger equation for nuclear motion along the B-N stretching coordinate, thereby obtaining vibrational energy levels, wave functions, and vib…
A facile synthetic route for the preparation of block copolymer microcapsules with cobalt magnetic nanoparticles (MPs) embedded in the polymer shells is reported. The preparation involved first the Co 2+ reduction to produce cobalt nanocrystals (∼13 nm in size). This was followed by the formation of thin polymeric coa…
The state of gold on a Au/NaY zeolite sample prepared from Au(CH 3 ) 2 (C 5 H 7 O 2 ) and subjected to various treatments was monitored by infrared spectroscopy of adsorbed CO as a probe molecule. Spectra of CO adsorbed on a sample exposed to air and evacuated at room temperature indicate predominantly zerovalent gold…
Abstract PANI nanotubes were successfully prepared by using thin glass tubes as a single template in the presence of H 4 SiW 12 O 40 and ammonium persulfate, which were used as dopant and oxidant, respectively, in this system. The structure and morphology of the PANI were characterized by IR spectrum, XRD pattern, SEM…
Ultralong Cu@carbonaceous submicrocables with diameters of 0.4−0.6 μm and lengths up to and exceeding 100 μm have been fabricated successfully by a poly(vinyl alcohol)- (PVA-) assisted hydrothermal carbonization process using copper chloride and maltose as materials. In this one-pot synthesis, poly(vinyl alcohol) (PVA…
Bottoms up! Films were built up in a layer-by-layer fashion using high-molar-mass double-stranded DNA and cationic poly(ferrocenylsilane) polyelectrolytes. In this one-step “bottom-up” self-assembly approach, a unique macroporous architecture (see picture) featuring biocompatible and redox-active components was obtain…
Abstract High-temperature exposure of a Mo(110) surface to borazine (HBNH) 3 leads to the formation of two distinctly different self-assembling nanostructures. Depending on the substrate temperature during preparation, either well-aligned, ultra-thin boron nanowires or a single-layer stripe structure of hexagonal boro…
Type I phosphomannose isomerase (PMI) is a Zn-dependent metalloenzyme involved in the isomerization of D-fructose 6-phosphate to D-mannose 6-phosphate. One of our laboratories has recently designed and synthesized 5-phospho-D-arabinonohydroxamate (5PAH), an inhibitor endowed with a nanomolar affinity for PMI (Roux et…
Single-molecule-like carbon nanocapsules derived from I2-filled ultrashort single-walled carbon nanotubes (US-tubes) have been prepared and characterized as a new paradigm in X-ray contrast-agent design. Functionalized by Bingel chemistry with external malonodiserinolamide (Ser) groups, the new I2@US-tube (Ser)n speci…
A general nonaqueous route has been applied for the preparation of rare-earth ordered nanocrystalline hybrid structures. In a simple one-pot reaction process, Y 3+ and Gd 3+ isopropoxides were reacted in an autoclave with 4-biphenylmethanol at 275 °C. This approach leads to crystalline rare-earth oxide thin layers (∼0…
Abstract Of the several techniques available for surface modification, plasma processing has proved to be very appropriate. The low temperature plasma is a soft radiation source and it affects the material only over a few hundred angstroms deep, the bulk properties remaining unaffected. Plasma surface treatment also o…
Abstract A novel fluorinated hyperbranched polyimide (HBPI) is synthesized by using a new triamine monomer, 1,3,5‐tris(2‐trifluoromethyl‐4‐aminophenoxy)benzene (TFAPOB) (A 3 ), as a ‘core’ molecule, 4,4‐(hexafluoroisopropylidene)diphthalic anhydride (6FDA) as a B 2 monomer, and 3,5‐ditrifuoromethylphenyl as an endcapp…
Abstract The combination of carbohydrates with silicon‐based ceramic materials offers attractive means of production for high performance materials. Present article describes the synthesis of novel nanocomposites out of SiO 2 and saponified guar‐graft‐poly(acrylonitrile) (SG). Tetraethoxysilane was used as the precurs…
For the first time, we show that chlorine has a dramatic effect on the selectivity for olefin epoxidation promoted by Au. Chlorine coadsorbed with oxygen on Au(111) inhibits combustion, formation of organic acids, and deposition of residual carbon. The temperature required for formation of styrene oxide is also lowere…
Abstract Polypropylene (PP) hybrid composites have been produced by compounding two types of mineral fillers, viz., talc and kaolin with PP copolymer using a twin screw extruder. The PP hybrid composite was injection‐molded into dumbbell specimen for tensile, flexural, and impact properties characterizations. MFI and…
Materials normally get thinner when stretched (positive Poisson’s ratio) and expand when heated (positive thermal expansion coefficients). However, not all systems behave in this way and systems (materials or structures) which defy common expectation and become wider when stretched (negative Poisson’s ratios, NPR, com…
The dynamics of adsorbate structures during CO oxidation on Pt(111) surfaces and its effects on the reaction were studied by the dynamic Monte Carlo method including lateral interactions of adsorbates. The lateral interaction energies between adsorbed species were calculated by the density functional theory method. Dy…
Abstract Four isostructural one‐dimensional polymeric iron(II) spin crossover materials containing the ligand 2‐chloro‐4,6‐bis(dipyrid‐2‐ylamino)‐1,3,5‐triazine (cddt) have been synthesised and magnetically and structurally characterised. The polymeric material Fe(NCS) 2 (cddt) · n (guest) ( 1 ), self assembles into t…
The growth of ultrathin diamondlike carbon (DLC) films is modeled using molecular dynamics (MD) simulations with the reactive empirical bond order (REBO) potential. The microstructure and stress properties, such as film density, $s{p}^{3}$ hybridization fraction and internal stress, are carefully analyzed. A close cor…
The low-energy electronic properties of a few graphite layers with AA and ABC stacking under application of the electric field ( F ), perpendicular to the layers, are explored through the tight-binding model. They strongly depend on the interlayer interactions, the stacking sequences, the layer numbers, and the field…