Materials Literature
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The amount of hydrogen adsorbed in arrays of single-walled carbon nanotubes has been studied as a function of the geometry of the array. The tube lattice spacing has been varied to optimize hydrogen uptake. Two different lattice geometries have been examined, namely, the triangular lattice and the square lattice. None…
A sudden drop in mechanical friction, between an adsorbed nitrogen monolayer and a lead substrate, occurs when the lead passes through the superconducting transition temperature. We attribute this effect to a sudden drop at the superconducting transition temperature of the substrate Ohmic heating. The Ohmic heating is…
Using a generalization of the Poisson-Boltzmann equation, dynamics of counterion condensation is studied. For a single charged plate in the presence of counterions, it is shown that the approach to equilibrium is diffusive. In the far from equilibrium case of a moving charged plate, a dynamical counterion condensation…
By means of molecular dynamics computer simulations we investigate the out of equilibrium relaxation dynamics of a simple glass former, a binary Lennard-Jones system, after a quench to low temperatures. We study both one time quantities and two-times correlation functions. Two-times correlation functions show a strong…
The experimentally predicted narrowing in the bandwidth of sodium is interpreted in terms of the non-local self-energy effect on quasi-particle energies of the electron liquid. The calculated self-energy correction is a monotonically increasing function of the wavenumber variable. The usual analysis of photo-emission…
Using molecular dynamics (MD) simulation, we investigate the mechanical response of silicon to high dose ion-irradiation. We employ a realistic and efficient model to directly simulate ion beam induced amorphization. Structural properties of the amorphized sample are compared with experimental data and results of othe…
As environmental performance becomes increasingly important, the development of man-made polymers and their associated benefits has been overshadowed by problems relating to their ultimate disposal. In the light of wider acceptance of polymers for use in high technology applications, Polymers and the Environment aims…
Spherical nanosize Ag/SiO 2 composite particles have been synthesized within reverse micelles via metal alkoxide hydrolysis and condensation. The size of the particles and the thickness of the coating can be controlled by manipulating the relative rates of the hydrolysis and condensation reactions of tetraethoxysilane…
The molecular, thermodynamic, and kinetic factors that govern the formation and concentration of the α and γ polymorphs in metallocene-catalyzed isotactic poly(propylenes) have been studied with a set of polymers that have a wide range in molecular weight and defect contents. With these polymers it was possible to inv…
The food packaging material is expected to provide optimum protective properties so that the product it encloses remains in satisfactory condition for its anticipated shelf life. The packaging tech...
The thermal stability of nanometer-sized Cu particles on a 400–500 nm thick SiO2 layer on top of a Si(100) substrate was studied after annealing in ultrahigh vacuum up to 620 °C. Atomic force microscopy, low-energy ion scattering, Rutherford backscattering spectrometry, and Auger electron spectroscopy measurements cle…
Low-resistivity (ρ) and highly transparent pure indium oxide (In2O3) thin films grown on glass substrates by pulsed laser deposition at substrate temperature (Ts) between room temperature and 200 °C are reported. As-deposited films with resistivity (ρ) of ∼3×10−4 Ω cm and transmittance (visible), above 87% were obtain…
Toroidal mesostructured molybdenum bronzes and blues (shown schematically) have been synthesized. The effect of phase changes on the electrical conductivity of these materials is explored in depth. A unique shape-evolution reaction is also discussed.
Das kristalline, spinlose π-Dimer (1.+⋅PF6)2 erhält man bei der Oxidation des Bipyrrols 1 mit Ferroceniumhexafluorophosphat. Die elektrochemisch in Lösung nachgewiesene diamagnetische Spezies wurde NMR-spektroskopisch als σ-Dimer identifiziert.
The ferroelectric properties of Pb(Zr,Ti)O3 films are known to degrade when subjected to forming gas anneals. In an earlier publication we established that although there may be loss of oxygen and lead during forming gas anneal, the primary mechanism for loss of ferroelectricity is the incorporation of hydrogen and su…
Synthetic approaches to a variety of substituted glycoluril compounds are presented herein. We have applied several of these compounds in the solution-phase synthesis of combinatorial libraries, and we have developed methods to differentiate individual reaction sites for the stepwise synthesis of individual polyfuncti…
Durch den Einbau von miteinander wechselwirkenden Laserfarbstoffen an den Kettenenden und im Brennpunkt eines dendritischen Makromoleküls kann Energie unterschiedlicher Wellenlängen, die durch die große periphere Antenne des Dendrimers gesammelt wurde (siehe linkes Bild), direkt und mit hohem Wirkungsgrad auf den zent…
Band structure calculations from first principles provide the basis of a simple explanation for the appearance of ferromagnetism in iron, cobalt, and nickel that is founded upon a uniquely chemical concept: bonding. It is shown that the onset of ferromagnetism strengthens the metal-metal bonds in these transition meta…
The crystalline, spinless π dimer (1.+⋅PF6)2 was obtained by the oxidation of bipyrrole 1 with ferrocenium hexafluorophosphate. The diamagnetic species generated electrochemically in solution was identified as the σ dimer by NMR spectroscopy.
Sintering, structural correlations and mechanical behavior of nanophase silica glasses are investigated using large-scale, parallel molecular-dynamics simulations. During the sintering process, the pore sizes and distribution change without any discernible change in the pore morphology. The height and position of the…