Materials Literature
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Using first-principles molecular dynamics, we investigate the interactions of water with the (0001) α-quartz surface. Both the cleaved (unreconstructed) surface, which presents non-bridging oxygen atoms, and the dense surface, which is characterized by 3-membered and 6 membered-rings with siloxane bonds at the top, ar…
Dynamical heterogeneities in a colloidal fluid close to gelation are studied by means of computer simulations. A clear distinction between some fast particles and the rest, slow ones, is observed yielding a picture of the gel composed of two populations with different mobilities. Analyzing the statics and dynamics of…
Abstract The common claim that dolomitization creates 12% porosity is based on the mole-for-mole replacement equation. However, in the past 50 years, data have been collected demonstrating that dolomitization does not create porosity. Instead, dolostones inherit the porosity and fabric of the precursor limestone, and…
We develop a conservative, second order accurate fully implicit discretization of ternary (three-phase) Cahn-Hilliard (CH) systems that has an associated discrete energy functional.This is an extension of our work for two-phase systems [13].We analyze and prove convergence of the scheme.To efficiently solve the discre…
The origins of persistent interactions among localized corrosion sites were investigated using multielectrode arrays (MEA). MEAs consisted of one hundred 250 μm diam AISI 316 stainless steel wires configured into close-packed rectangle and far-spaced configurations. Experiments were conducted in dilute chloride soluti…
A detailed theoretical study has been made of Pt–Pd nanoalloy clusters, with the interatomic interactions modelled by the Gupta many-body potential. For 18–20 atom clusters, a genetic algorithm has been used to find the lowest energy structures for each size and for all possible compositions. A number of different str…
A quasi-2D model was proposed and made available for numerical studies on the performance of a single tubular solid oxide fuel cell (SOFC) under practical operating conditions. The model takes account of the air and fuel flow velocity fields, ohmic and thermodynamic heat generation, convective heat-transfer, mass tran…
Hollow TiO2-composite spheres in the size range of 50–150 µm were prepared by liquid phase deposition on template assemblies of self-organised PS latex particles. These assemblies spontaneously formed on the surface of octanol droplets in an oil-in-water emulsion, the overall process resembling the stages of natural b…
Most commercially available CO detectors are based upon metal oxides or electrochemical cell technologies. None of these approaches use the selective adsorption of CO gas on a molecular complex. Conversely, cobalt(III) corroles can bind small gaseous molecules allowing them for an application as sensing components for…
Exohedrally functionalised fullerenes have been inserted in single-walled carbon nanotubes (SWNTs) with the aid of supercritical carbon dioxide to form peapods; C(61)(COOEt)(2) are encapsulated in SWNTs in high yield, whereas C(61)(COOH)(2) aggregate via hydrogen bonding to form a supramolecular complex, which sterica…
The dinuclear iron(II) complex [(pypzH)(NCSe)Fe([micro sign]-pypz)(2)Fe(NCSe)(pypzH)].2H(2)O displays a single, sharp spin crossover transition between the [HS-HS] and [LS-LS] states and is structurally characterised above and below the T(1/2)= 225 K value
Novel polyimide-epoxy organic–inorganic nanocomposites are prepared by in situ curing of polyamic acid macromolecules with two POSS epoxides, octa[(epoxycyclohexylethyl)dimethylsilyloxy]silsesquioxane (OC) and octa[(epoxyhexyl)dimethylsilyloxy]silsesquioxane (OH). Comparison between two series of nanocomposites from O…
International audience
In a recent paper, Pendry [Phys. Rev. Lett. 86, 3966 (2000)] mentioned the possibility of making perfect lenses by using a slab of left-handed material with relative permeability and permittivity equal to -1, a property first stated by Veselago [Sov. Phys. Usp. 10, 509 (1968)]. Pendry gave a demonstration of the vital…
13C CP/MAS NMR and FE/TEM measurements of the aragonite brick of the nacreous layer of Pinctada fucata indicate that it assembles with highly oriented aragonite nanocrystals, which are regulated by biopolymers.
Abstract Several advances in the coordination chemistry of stable free-radical species over the past six years are documented in this review article. Specifically, a number of recent reports focused on the coordination chemistry of chelating nitroxide ligands are highlighted, with an emphasis on enhanced magnetic or o…
A novel sol-gel route to c-axis oriented undoped and Co, Fe and Mn doped ZnO films is reported. Sols were prepared from a hydrated zinc acetate precursor and dimethylformamide (DMF) solvent. Films were spin-coated on to hydrophilic sapphire substrates then dried, annealed and post-annealed, producing almost purely uni…
Synchronous, time resolved, infra-red, XAFS, and mass spectroscopies are simultaneously applied in situ to the investigation of the dynamic behaviour of Rh/Al2O3 catalysts during NO reduction by CO; NO conversion, and its kinetic character are closely correlated to the conversion of Rh(I)(predominantly RhI(CO)2) to Rh…
The synthesis and characterization of twenty seven new compounds belonging to three homologous series of compounds derived from 3-hydroxybenzoic acid are reported. One of the terminal positions of the constituent molecules of these compounds is substituted with a strongly polar cyano group while the other end contains…
Recent studies on the exploitation of novel organic radical compounds that exhibit photo-responsive properties by illumination are described in this tutorial review. Those so far reported consist of a variety of photo-responsive pi-electron moieties such as azobenzene, diarylethene, biindenylidene, terphenoquinone, an…