Materials Literature
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The influence of flexible walls on the self-diffusion of CH4 in an isolated single walled carbon nanotube, as an example, is studied by molecular dynamics simulations. By simulating the carbon nanotube as a flexible framework we demonstrate that the flexibility has a crucial influence on self-diffusion at low loadings…
We report end-to-end assembly for tuning the optical properties of a gold nanorod/sphere based on oligonucleotide hybridization. The rationale behind the selection of the mercaptoalkyloligonucleotide molecule is based on the fact that the thiol group binds to the ends of the nanorods, which further assemble in an end-…
We consider the influence of realistic island diffusion rates to homoepitaxial growth on metallic surfaces using a recently developed rate equation model which describes growth in the submonolayer regime with hyperthermal deposition. To this end, we incorporate realistic size and temperature-dependent island diffusion…
Electrical and optical properties of low-temperature, plasma enhanced chemical vapour deposited films of TiO 2 have been studied; the source gases were TiCl 4 and O 2 . The amorphous, as-deposited films had a dielectric constant ∼33 consistent with their measured density of 3.2 ± 0.2 g cm −3 . Films deposited using a…
We report magnetoresistance curves of CoFe nano-oxide specular spin valves of MnIr/CoFe/nano-oxidized CoFe/CoFe/Cu/CoFe/nano-oxidized CoFe/Ta at different temperatures from 300 to 20 K. We extend the Stoner-Wolfarth model of a common spin valve to a specular spin valve, introducing the separation of the pinned layer i…
We report a density functional study of alternate fullerenelike cage structures and finite closed, capped single-wall nanotubes of aluminum nitride. The cages and nanotubes studied are modeled as ${\mathrm{Al}}_{24}{\mathrm{N}}_{24}$, ${\mathrm{Al}}_{28}{\mathrm{N}}_{28}$, ${\mathrm{Al}}_{32}{\mathrm{N}}_{32}$, ${\mat…
We perform a theoretical study, using {\it ab initio} total energy density-functional calculations, of the effects of disorder on the $Mn-Mn$ exchange interactions for $Ga_{1-x}Mn_xAs$ diluted semiconductors. For a 128 atoms supercell, we consider a variety of configurations with 2, 3 and 4 Mn atoms, which correspond…
Many candidates have been proposed as shallow donors in diamond, but the small lattice constant means that many substitutional impurities generate large strains and thus yield low solubilities. Strained impurities favor complex formation with other defects and, in particular, the lattice vacancy. We report the results…
Zr and Sc precipitate in aluminum alloys to form the Al\_3Zr\_xSc\_{1-x} compound which, for low supersaturations of the solid solution, exhibits the L1\_2 structure. The aim of the present study is to model at an atomic scale the kinetics of precipitation and to build mesoscopic models so as to extend the range of su…
Metal crescent-shaped nanoparticles (see Figure) that are expected to be efficient optical antennas with highly enhanced and localized near-fields are described. The particle-fabrication process combines colloidal templating, metal-film deposition, and ion-beam milling. The crescents exhibit multiple plasmon resonance…
We report on experiments of spin filtering through ultrathin single-crystal layers of the insulating and ferromagnetic oxide $\mathrm{Bi}\mathrm{Mn}{\mathrm{O}}_{3}$ (BMO). The spin polarization of the electrons tunneling from a gold electrode through BMO is analyzed with a counterelectrode of the half-metallic oxide…
A new and rapid approach to fabricating highly ordered nanoporous alumina films and integrated alumina nanotubule arrays with perfect hexagonal structures (see Figure and inside cover) is described. By using high-field anodization in a sulfuric acid solution, high-quality self-ordered alumina membranes are produced in…
Among several drug delivery systems, liposomal encapsulated anti-cancer agents represent an advanced and versatile technology. Several formulations of liposomal anthracyclines are approved, e.g. for the treatment of metastatic breast cancer (pegylated and non-pegylated liposomal doxorubicin) or AIDS-related Kaposi's s…
We report free-standing atomic crystals that are strictly 2D and can be viewed as individual atomic planes pulled out of bulk crystals or as unrolled single-wall nanotubes. By using micromechanical cleavage, we have prepared and studied a variety of 2D crystals including single layers of boron nitride, graphite, sever…
We investigated the effect of continuous-wave (cw) UV laser radiation on single-mode Ge-doped H2- loaded optical fibers. An innovative technique was developed to measure the optical absorption (OA) induced in the samples by irradiation, and to study its dependence from laser fluence. The combined use of the electron s…
Some of the most remarkable tilings and discrete quasiperiodic sets used in quasicrystal physics can be obtained by using strip projection method in a superspace of dimension four, five or six, and the projection of a unit hypercube as a window of selection. We present some mathematical results which allow one to use…
The structure of the title compound, sodium lithium decavanadate eicosahydrate, Na5.22Li0.78[V10O28]·20H2O, is characterised by [V10O28]6− polyanions which are linked by hydrogen bonds and Na+ ions. The centrosymmetric [V10O28]6− polyanion consists of ten distorted VO6 edge-sharing octahedra.
Abstract Bis-dipyrrin-appended porphyrin derivatives, potential building blocks for supramolecular coordination architectures, were synthesized and exhibited complexation at the two dipyrrin sites with BF2 and Rh(CO)2.
OPLS-AA force field and direct integration of intermolecular radial distribution functions (RDF) were employed to calculate absolute binding constants of pyridine molecules to amino group (NH2) and amide group hydrogen atoms in and first generation poly(amidoamine) dendrimers in chloroform. The average errors in the a…
Abstract The serpentine subgroup mineral berthierine was synthesized as a metastable precursor of the chlorite group mineral chamosite in cold seal pressure vessels at 575°C, 0.5 GPa and f O 2 -conditions of the NNO buffer from a glass of almandine bulk composition. The run products were investigated with X-ray powder…