Materials Literature
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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…
The influence of post-sintering annealing on the dielectric relaxation behavior was studied in (Sr1−1.5xLax)TiO3 in the temperature range of 1.5–300 K. The results show that the dielectric permittivity peaks with frequency dispersion can be gradually and absolutely eliminated by annealing in an oxidizing atmosphere, a…
Length-dependent charge redistribution in dangling-bond (DB) linear chains fabricated on a hydrogen-terminated $\mathrm{Si}(100)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ surface is analyzed by using scanning tunneling microscopy and first-principles calculations. The second-layer Si atoms are displaced alt…
Die lösungsmittel- und katalysatorfreie Kondensation von Pyrrol und Aldehyden bietet einen äußerst einfachen Zugang zu neuartigen Corrolen [Gl. (1); Ar = C6F5, 2,6-F2C6H3, 2,6-Cl2C6H3]. Das Pentafluorphenyl-substituierte Produkt (Ar = C6F5) ist eine exzellente Vorstufe für andere Derivate, einschließlich eines ionisch…
A three-dimensional network with one-dimensional channels (see picture) has been self-assembled from the nickel(II) complex of cyclam and 1,3,5-benzenetricarboxylate in water through hydrogen-bond formation. The channels have an appropriate diameter (10.3 Å) to include D-glucose with a formation constant of Kf=(1.38±0…
Addition of Nd, Tb, or Dy to amorphous Ti–O thin films is found to improve the dielectric properties of the films. Specifically, substitution of 10–30 at. % of the dopant for Ti is found to dramatically decrease the leakage current, increase the breakdown voltage, and yet retain the relatively high dielectric constant…