Materials Literature
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We present Monte Carlo simulations in the NVT ensemble for spherical particles of diameter σ interacting via a hard-core potential with a square-shoulder (SS) repulsive barrier, a square-well (SW) attraction, and a second SS repulsion. This discrete potential is used to mimic the pair interaction in confined colloidal…
The ac electrical properties of acetylene black composites mixed into ethylene butylacrylate copolymer (EBA) and into poly (methyl methacrylate) (PMMA) have been measured in thermal cycling and isothermal annealing experiments. The results show that changes in electrical properties are due to rearrangement of gaps bet…
Combined analyses using NMR, EPR and Mössbauer spectroscopy as well as SQUID magnetometry have revealed that highly saddle shaped Fe(OETPP)I adopts an essentially pure intermediate spin state in spite of the coordination of an iodide ligand.
We examine the effect of pressure on the smectic-A-isotropic phase transition within the Landau phenomenological theory. The influence of pressure on the smectic-A-isotropic phase transition is discussed by varying the coupling between the orientational and the translational order parameter. The transition is found to…
The analysis of the triad sequence of a poly(ethylene/butylene terephthalate) copolymer using 600 MHz 1 H NMR is reported in a solvent system of o -chlorophenol/deuterated chloroform mixture (75/25 v/v) at 80 °C. The well-resolved alcoholic CH 2 proton peak of the glycol units made the detailed sequence analysis possi…
A quasi-local graphitic defect is defined as finite network surrounded by a trivalent planar hexagonal-faced network extending to infinity. A general classification of such quasi-local defects is developed, so as to attend to infinite-range structural consequences. A first classification stage identifies a discrete “c…
We report two novel conical carbon structures of nano-to-micrometer dimensions that spontaneously grow on the surface of carbon filaments produced by thermal decomposition of certain hydrocarbons. The first carbon structure occurs in the form of an inverted truncated cone attached with its base to the surface of a car…
The manipulation of isolated single-wall carbon nanotubes (SWNTs), rather than bundles, has led to active research in the field of the functionalisation of such carbon compounds. Different ways exist today to obtain some new soluble macromolecules from SWNTs. Here we focus on the fluorination functionalisation. As the…
The new croconato-bridged copper(II) compounds [Cu2(terpy)2(H2O)2(C5O5)](NO3)2·H2O (1) and [Cu3(phen)5(C5O5)2](CF3SO3)2 (2) (C5O52− = croconate, dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione; terpy = 2,2′:6′,2″-terpyridine; phen = 1,10-phenanthroline) have been prepared, and their crystal structures and variabl…
We report studies of reactive wetting employing droplets of a nonpolar liquid (decahydronaphthalene) on chemically patterned surfaces. The drops contain an n alkylamine that adsorbs onto surfaces exposing carboxylic acid groups and produces surfaces exposing methyl groups. The change in surface energy that occurs conc…
In situ ultrasmall-angle X-ray scattering (USAXS) on polymer- and protein-mediated silica transformations revealed a phase-separation process in which mesophases direct silica aggregation. The USAXS spectra obtained from the synthesized silica have characteristic features that resemble those observed for pore structur…
Unterschiede in den elektrostatischen Wechselwirkungen und Konformationen zwischen einzel- oder doppelsträngigen negativ geladenen oberflächengebundenen Nucleinsäuremolekülen und wasserlöslichen kationischen Poly(3-alkoxy-4-methylthiophen)-Derivaten (siehe Bild) bilden die Grundlage einer neuen empfindlichen optischen…
Poly(ethylene glycol)s (PEGs) are potential drug carriers for improving the therapeutic index of anticancer agents. In this work, the anticancer drug methotrexate (MTX) was activated with N,N'-dicyclohexylcarbodiimide (DCC) and coupled to amino group bearing PEGs of MW 750, 2000, 5000, 10 000, 20,000, and 40,000. Firs…
We study the effects of radiation damage on structural changes in zircon. By simulating high-energy recoils, we observe polymerization, shear deformation, and unit-cell expansion, seen experimentally, and point to their origins. We find that the density of the damaged region is very nonuniform, increasing the from dep…
Strong electronic interactions occur between the polyoxometalate (POM) clusters and the π electrons of the conjugated organic bridge in hybrid molecular dumbbells such as 1 which were synthesized by Pd-catalyzed coupling reactions of organoimido-substituted POMs.
Results are reported for experimentally measured and theoretically predicted optical absorption in bismuth nanowires. Five absorption peaks are seen in the experimental spectral range. The energies of these five peaks agree well with the predicted values for intersubband transitions, thereby validating our model of qu…
We report on preparing assemblies of gold nanoparticles with continuous gradients in number density on flat silica-covered substrates. The methodology consists of (i) first forming a one-dimensional molecular gradient of amino groups (−NH 2 ) on the substrate by vapor deposition of amine-terminated silane molecules, f…
A route toward enhancing the energy product $(\mathrm{BH}{)}_{\mathrm{max}}$ of permanent magnetic materials, at room temperature, based on ferromagnetic-(FM-) antiferromagnetic (AFM) exchange interactions has been developed. The exchange coupling, which is induced by ball milling hard magnetic ${\mathrm{SmCo}}_{5}$ w…
Water-soluble poly(ethylene oxide- block -methacrylic acid) (P(EO- b -MAA)) and poly(ethylene oxide- block -styrene sulfonic acid) (P(EO- b -SSH)) diblock copolymers were used to control the particle morphologies, sizes and size distributions of zinc oxide precipitated from aqueous solution. With P(EO- b -MAA) copolym…
Chains of fused NiII octahedral units form a 3D network and thereby the first example of a homometallic 3D ferrimagnet. The material was characterized by X-ray analysis and a low-temperature magnetic study. The structure features an infinite -Ni-(μ3-OH)-Ni2- chain and the spin of adjacent Ni centers alternates between…