Materials Literature
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Abstract Polymethylmethacrylate (PMMA)/silica nanocomposites are prepared by solution polymerization in this project and the resulting materials are subjected to characterization to evaluate thermal, mechanical, and fire properties. IR results show that both (3‐acryloxypropyl)methydimethoxy‐silane (APMDMOS) and (3‐acr…
With the aim of future applications in quantum mechanical embedding in extended systems such as crystals, we suggest a simple and computationally efficient method which enables construction of a set of nonorthogonal highly localized one-electron orbitals for periodic nonmetallic crystals which reflect their chemical n…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix into a power series can only be used when the orbitals are highly localised (e.g…
The generation of surface plasmon polaritons (SPP's) at isolated nanoholes in 100 nm thick Au films is studied using near-field scanning optical microscopy (NSOM). Finite-difference time-domain calculations, some explicitly including a model of the NSOM tip, are used to interpret the results. We find the holes act as…
In this paper we discuss both the crystallographic aspects that govern the general features of the cores of ⟨111⟩ screw dislocations in bcc metals and the role of interatomic bonding that is specific to given materials. This analysis is carried out by comparing the results of two atomistic calculations of dislocations…
We investigate 1, 2, 3, and 4 monolayers of iron grown on the (001) surface of ZnSe using spin density functional theory, plane-wave expansion, and ultrasoft pseudopotentials. An ideal structure of the interface is plausible due to the very small lattice mismatch between both materials. However, we observe dramatic de…
Nonequilibrium dynamics at interfaces is generally driven by a chemical potential. Here we demonstrate a generic technique to derive the basic equations of motion, boundary conditions and the chemical potential in a consistent way from fundamental variational principles. As a particular example, we consider a solid su…
We elucidate the physical mechanisms by which electromagnetic excitations in planar chiral waveguides exhibit broken time reversal and parity symmetries as recently observed in metallic nanostructures (Phys. Rev. Lett. 91, 247404 (2003)). Furthermore, we show that concomitant with these broken symmetries the electroma…
Monodispersed 5-nm Co 3 O 4 nanocrystals are prepared by thermal decomposition, in long carbon chain alcohols, of the intermediate product Co(NO 3 ) 2 ·7C 6 H 13 OH, which is first obtained through the reaction of Co(NO 3 ) 2 ·6H 2 O with n -hexanol. A designed addition of water into the reaction system causes an orie…
Abstract We synthesized six polyurethane networks from 4,4′‐diphenylmethane diisocyanate and polyols based on midoleic sunflower, canola, soybean, sunflower, corn, and linseed oils. The differences in network structures reflected differences in the composition of fatty acids and number of functional groups in vegetabl…
Alles gut verpackt: Kohlenstoff-umhüllte Metall-Nanopartikel, mit Metall-Nanopartikeln versehene Kohlenstoff-Mikrokügelchen sowie schichtförmig aufgebaute Partikel sind durch eine auf hydrothermaler Behandlung von Glucose basierende Methode zugänglich. Hierbei resultieren monodisperse kolloidale Kohlenstoff-Mikrokügel…
In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn-Teller distortions (CJTDs)…
All wrapped up: Carbon-encapsulated metal nanoparticles, carbon microspheres decorated with metal nanoparticles, and particles with layered structures are all accessible by means of a method based on hydrothermal treatment of glucose, which produces monodisperse colloidal carbon microspheres with reactive surfaces. Th…
Polychromophores comprised of rigid−flexible alternating polyethers have been synthesized. In these polymers, the rigid part of the main chain is a quinquephenyl fluorophore decorated with two second generation Fréchet-type side dendrons, while the flexible part is an aliphatic chain of 11 or 12 methylene groups. The…
Abstract Two novel polystyrene‐supported Schiff bases, PSOPD and PSHQAD, were synthesized. A polymer‐bound aldehyde was condensed with o ‐phenylenediamine to prepare the Schiff base PSOPD, and a polymer‐bound amine was condensed with 3‐hydroxyquinoxaline‐2‐carboxaldehyde to prepare the Schiff base PSHQAD. This article…
Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree–Fock calculations for diatomic molecules: II. Refinement of basis sets and grids for hyperpolarizability calculations, J Kobus, D Moncrieff, S Wilson
Sugar-based gelator p-dodecanoyl-aminophenyl- <TEX>${\beta}$</TEX>-D-aldopyranosides (1-3) have been shown to self-assemble in the presence of p-aminophenyl aldopyranosides. The hydrogel 1+4 showed the double-helical structure with 3-25 nm outer diameters, which is quite different from that of 1. The gel 2+5 revealed…
Thin-film filters used for dense wavelength division multiplexing (DWDM) applications are processed by a variety of deposition techniques, including ion-beam sputtering. Ion-beam sputtering produces high-quality coatings and provides flexibility of coating materials. However, DWDM filters consisting of oxide films tha…
Abstract Interfacial agents are often used to compatibilize immiscible polymer blends. They are known to reduce the interfacial tension, homogenize the morphology, and improve adhesion between phases. In this study, two diblock copolymers of styrene/ethylene‐propylene (SEP), which have different molecular weights, wer…
A novel laser beam guided patterning technique for deposition of nanoparticle clusters of various materials on movable substrates and fabrication of microstructures is described. An example of the technique's application, the fabrication of gold microstrips of under 100−150 μm in width, is discussed. Microstrip patter…