Materials Literature
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[Co(Me(4)cyclam)(tropolonate)](PF(6)) was synthesised and structurally characterised. Its electronic and W-band EPR spectra have been analysed by means of the angular overlap calculation of the Spin Hamiltonian parameters that provided also a satisfactory reproduction of the temperature dependence of the magnetic susc…
We demonstrate irreversible blocking of ion channels using single-wall carbon nanotubes (SWNTs) functionalized with 2-aminoethylmethane thiosulfonate (MTSET). In contrast, as-produced and purified SWNTs exhibit reversible blocking, indicating that the MTSET molecule attached to SWNTs chemically interacts with the cyst…
We propose a method for direct calculation of an effective interface potential from computer simulation. The method allows us to locate the wetting transition, determine its order and calculate the concomitant contact angle of macroscopic drops. We illustrate the method by studying the wetting behaviour of a polymer m…
Abstract Films with alternating layers of high density polyethylene (HDPE) and polystyrene (PS) were prepared by layer‐multiplying coextrusion, using two HDPEs differing in molecular weight. The crystal structure of extremely thin PE layers confined between PS layers was studied by small angle X‐ray scattering (SAXS),…
An account is given of density functional theory (DFT) for quenched–annealed fluid mixtures that are used to model fluids adsorbed in random porous matrices. The theory is based on the replica trick and allows the treatment of situations where the quenched random matrix as well as the annealed fluid are inhomogeneous…
We report how large spherical impurities affect the nucleation and growth of hard sphere colloidal crystals. Both the impurities and the colloids are fluorescently labelled polymethylmetacrylate particles and are dispersed in an optically and density matching solvent mixture. Crystal growth, initiated either at the im…
We review the recent progress in thermal characterization and sensor applications of one-dimensional nanostructures employing microelectromechanical system (MEMS) devices. It was found by thermal measurements that the thermal conductance of a single wall carbon nanotube (SWCNT) was very close to the ballistic thermal…
Abstract Carbon black‐ (CB) filled immiscible thermoplastic/thermosetting polymer blends consisting of polypropylene (PP) and epoxy resin were reported in this paper. The PP/epoxy/CB blends with varied compositions and different processing sequences were prepared by melt‐mixing method. The CB distribution and the rela…
Extensive large-scale global optimizations refined by ab initio calculations are used to propose $({\mathrm{SiO}}_{2}{)}_{N}$ $N=14--27$ ground states. For $N<23$ clusters are columnar and show $N\mathrm{\text{\ensuremath{-}}}\mathrm{odd}--N\mathrm{\text{\ensuremath{-}}}\mathrm{even}$ stability, energetically and e…
The deformation behaviour of Au nanowires subjected to uniaxial tension at high strain-rate under different temperatures is studied by molecular dynamics simulation along [001], [011], and [111] elongation directions, respectively. The stress distributions and the radial distribution functions of the structure of the…
DNA-wrapped nanotubes of both multiwalled and single-walled carbon nanotubes were obtained by a solid-state mechanochemical reaction. Scanning electron microscopic images show that the nanotubes were cut into shorter lengths and were fully covered with DNA, which was further confirmed by fluorescence microscopy. This…
As a way to control the surface properties of nanowires and nanotubes, we present a method for growing polymer from the surface of silicon/silica core/shell nanowires. After modification of nanowire surfaces with polymer initiators, Atom Transfer Radical Polymerization (ATRP) was used to grow methacrylate polymer chai…
Redox transmetallation/ligand exchange reactions of lanthanoid metals (Ln), Hg(C6F5)2 and HOAr(OMe) (Ar(OMe) = C6H2-2,6-Bu(t)-4-OMe), in thf (tetrahydrofuran) gave, for Ln = Yb, [Yb(OAr(OMe))2(thf)3], and for Ln = Sm, a mixture of [Sm(II)(OAr(OMe))2(thf)3] and mainly [Sm(III)(Ar(OMe))3(thf)] x thf. X-Ray structure det…
We study dynamical heterogeneity and growing dynamical length scales in two kinetically constrained models, namely, the one- and two-vacancy assisted triangular lattice gases. One of the models is a strong glassformer and the other is a fragile glassformer. Both exhibit heterogeneous dynamics with broadly distributed…
The electronic and vibrational structures of ${\mathrm{Ba}}_{8}{\mathrm{Si}}_{46}$ and ${\mathrm{Ba}}_{8}{\mathrm{M}}_{n}{\mathrm{Si}}_{46\ensuremath{-}n}$, where some of the framework Si were replaced by metal ($M=\mathrm{Ag}$ or Au) have been studied. Theoretical calculations show that the nature of chemical bonding…
Various hormone replacement regimens and delivery systems have been developed; however, there is still a need for additional, easily controllable and biocompatible systems. We have developed and characterized biocompatible polycaprolactone-block-poly(ethylene oxide) (PCL-b-PEO) micelles for the delivery of 17beta-estr…
Abstract The effect of an organically modified montmorillonite (OMMT) on the curing kinetics of a thermoset system based on a bisphenol A epoxy resin and a poly(oxypropylene)diamine curing agent were studied by means of differential scanning calorimetry (DSC) in isothermal and dynamic (constant heating rate) condition…
The orbital symmetry forbidden thermal electrocyclic equilibria between a series of cyclophanedienes and dimethyldihydropyrenes (CPD<==>DDPs) were studied using density functional theory (DFT). These reactions are important not only because of their fundamental interest but also in how they restrict the potential util…
A GaMnAs nanoelectromechanical resonator is used to obtain the first measurement of magnetostriction in a dilute magnetic semiconductor. Resonance frequency shifts induced by field-dependent magnetoelastic stress are used to simultaneously map the magnetostriction and magnetic anisotropy constants over a wide range of…
Based on a self-similar array model, we systematically investigated the axial Young’s modulus (Yaxis) of single-walled carbon nanotube (SWNT) arrays with diameters from nanometer to meter scales by an analytical approach. The results show that the Yaxis of SWNT arrays decreases dramatically with the increases of their…