Materials Literature
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The Markovian assumption stating that memory effects can be neglected is a crucial assumption in the theory of coarse-graining. We investigate the coarse-graining of a one-dimensional chain of oscillators where the atoms are grouped into clusters or blobs. When the interaction between oscillators is through Hookean sp…
Previously we demonstrated that Ni(II) complexes of Ac-Thr-Glu-Ser-His-His-Lys-NH2 hexapeptide, representing residues 120-125 of human histone H2A, and some of its analogs undergo E-S peptide bond hydrolysis. In this work we demonstrate a similar coordination and reactivity pattern in Ni(II) complexes of Ac-Thr-Glu-Th…
Silver nanoparticle formation in poly(vinyl alcohol) thin films is analyzed in real time by spectroscopic ellipsometry. Modeling the data using the Maxwell-Garnett theory shows that the silver content predicted by the model depends of the film thickness. This is conjectured to be due to the absence of plasmon resonanc…
The mechanism of the selective catalytic reduction (SCR) of NOx by propene over SnO2/Al2O3 catalyst in the presence of oxygen has been investigated using in situ Fourier transform infrared (FT-IR) spectroscopy. In situ IR measurements indicate that acetate and formate, which are the derivatives of the partial oxidatio…
In this work we present a detailed study of the magnetic properties of $\mathrm{GaN}:\mathrm{Gd}$ layers with different Gd content ($6\ifmmode\times\else\texttimes\fi{}{10}^{15}$ to $1\ifmmode\times\else\texttimes\fi{}{10}^{19}\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}3}$) grown by reactive molecular bea…
First principles density functional theory studies have been carried out to investigate the hydrogen interactions in Ti-doped NaAlH4 (001) and (100) surfaces. In both surfaces, Ti was found to energetically favor the interstitial sites formed by three neighboring AlH4- units and interact directly with them. The result…
CdSe nanoparticles have been prepared, using the phosphonium ionic liquid trihexyl(tetradecyl)phosphonium bis(2,4,4-trimethylpentylphosphinate) as a solvent and capping agent.
A saddle-distorted molybdenum(V)−dodecaphenylporphyrin (H 2 DPP) complex, [Mo(DPP)(O)(OMe)] ( 1 ), was converted to [Mo(DPP)(O)(H 2 O)] + ( 2 ) in the course of recrystallization from toluene with vapor diffusion of methanol. The complex 2 was organized via self-assembly to form a porphyrin nanotube having a diameter…
Abstract The graft copolymerization of methyl methacrylate and ethyl methacrylate monomers onto jute fiber was carried out in an aqueous medium with potassium persulfate as an initiator under the catalytic influence of ferrous sulfate in the presence of air. The effects of parameter variables, such as the monomer, ini…
We present experimental evidence of in situ fabrication of multi-walled carbon nanotube junctions via electron beam induced deposition. The tip-to-tip interconnection of the nanotubes involves the alignment of two nanotubes via a piezodriven nanomanipulator and nano-welding by electron beam deposition. Hydrocarbon con…
Using single molecule spectroscopy, we show that the fluorescence lifetime trajectories of single probe molecules embedded in a glass-forming polymer melt exhibit strong fluctuations of a hopping character. Using molecular dynamics simulations targeted to explain these experimental observations, we show that the lifet…
Abstract An efficient synthesis route for highly luminescent silicon quantum dots is presented. Silicon nanocrystals were synthesized in the gas phase using an argon‐silane non‐thermal plasma in a continuous flow reactor. Liquid phase surface passivation was used to improve the optical properties and avoid surface oxi…
Copper-doped Cd 1− x Zn x S ( x ∼0.16) nanoribbons were prepared by controlled thermal evaporation of CdS, ZnS, and CuS powders onto Au-coated silicon substrates. The nanoribbons had a hexagonal wurtzite structure, and lengths of several tens to hundreds of micrometres, widths of 0.6–15 µm, and thicknesses of 30–60 nm…
Conductivity and magnetoresistance (MR) measurements on pellets of conducting polyaniline and polypyrrole nanotubes/wires are presented. A transition from small negative MR to large positive MR was measured below 60 K. The positive and negative MR has been discussed in terms of a wavefunction shrinkage effect and a qu…
A comprehensive analysis of the structural, vibrational, and thermodynamic properties of the intermetallic compounds in the $\mathrm{Mg}\text{\ensuremath{-}}\mathrm{Ca}\text{\ensuremath{-}}\mathrm{Sn}$ system has been performed via first-principles calculations. The enthalpies of formation at $0\phantom{\rule{0.3em}{0…
Abstract IR, Raman and surface‐enhanced Raman scattering (SERS) spectra of 5‐sulphosalicylic acid were recorded and analysed. The vibrational wavenumbers were computed by density functional theoretical (DFT) method using B3LYP/6–31G* basis. The bands due to the stretching modes CO, CS and SO 2 are intense in the SER…
Abstract Thermoresponsive shape memory (SMP) fibers were prepared by melt spinning from a polyester polyol‐based polyurethane shape memory polymer (SMP) and were subjected to different postspinning operations to modify their structure. The effect of drawing and heat‐setting operations on the shape memory behavior, mec…
A ternary system of Mn 0.5 Zn 0.5 Fe 2 O 4 has been synthesized for the first time using thermal decomposition of metal acetylacetonate in the presence of a high temperature boiling point solvent and fatty acids. Unlike the results of synthesis of this material by other techniques, we obtain nearly monodispersed nanop…
Inkjet printing has been used to prepare polymeric thin films for gas sensing. The conductive polymer poly(3,4-ethylene dioxythiophene) doped with polystyrene sulfonated acid (PEDOT-PSS) was used as the organic ink. The electrical resistance of the printed films was monitored during exposure to atmospheres containing…
We adopted an existing formalism and modified it to simulate, with high precision, the transmission, reflection, and absorption of multiple-plate birefringent devices as a function of frequency. To validate the model, we use it to compare the measured properties of an achromatic five-plate device with a broadband anti…