Materials Literature
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We study the processes of charge separation and transport in composite materials formed by mixing cadmium selenide or cadmium sulfide nanocrystals with the conjugated polymer poly(2-methoxy,5-(2\ensuremath{'}-ethyl)-hexyloxy-$p$-phenylenevinylene) (MEH-PPV). When the surface of the nanocrystals is treated so as to rem…
Finite graphite systems having a zigzag edge exhibit a special edge state. The corresponding energy bands are almost flat at the Fermi level and thereby give a sharp peak in the density of states. The charge density in the edge state is strongly localized on the zigzag edge sites. No such localized state appears in gr…
Acid-treated carbon nanotubes have been decorated with nanoscale Au, Pt and Ag clusters by employing several procedures. The nature and extent of metal coverage can be varied by changing the concentration of the metal compound or by mild sonication (treatment with ultrasound). The metal clusters seem to get deposited…
The transition metal chalcogenide Ni(S,Se)2 is one of the few highly correlated, Mott-Hubbard systems without a strong first-order structural distortion that normally cuts off the critical behavior at the metal-insulator transition. The zero-temperature (T) transition was tuned with pressure, and significant deviation…
Open carbon nanotubes were filled with molten silver nitrate by capillary forces. Only those tubes with inner diameters of 4 nanometers or more were filled, suggesting a capillarity size dependence as a result of the lowering of the nanotube-salt interface energy with increasing curvature of the nanotube walls. Nanotu…
In spite of considerable effort, the understanding of the molecular structure of polyacry-lonitrile-based fibers is still incomplete. This paper shows that molecular modeling based on molecular mechanics and dynamics can be used to study the molecular structure of polyacrylonitrile-based fibers with appropriate strate…
Multiblock copolymers offer the possibility to combine the properties of different polymers. Thus, new materials with tailor-made unique properties are available by coupling of different suitable polymeric segments. The goal of the work discussed in this paper was to combine advantageous properties of liquid-crystalli…
Freshwater ecosystems are a major component of the northern environment. The application of new limnological technologies and approaches to these ecosystems is producing a revised perspective on their structure and dynamics, and is leading to insights into their potential response to global change processes. The plank…
The first comprehensive survey on the uses of alkyl polyglycosides as renewable ressources for the chemical industry. Experts from industry show in detail how alkyl polyglycosides can help chemists to improve their products. Since quite a few years, renewable Ressources are of increasing interest for the chemical indu…
The improvement of flame-retardation of thermosetted epoxy–amine resins was attempted by chemically incorporating phosphorus-containing reagents. By reacting 4,4′-diglycidylether of bisphenol A (DGEBA) with dialkyl (or aryl) phosphate, it was possible to chemically modify the epoxy resin and then cure it in the presen…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSpectral Dynamics of Individual Molecules in Glasses and CrystalsE. Geva, P. D. Reilly, and J. L. SkinnerView Author Information Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706Cite this: Acc. Chem. Res. 1996, 29,…
We reconsider a number of measurements for the overall hydration kinetics of tricalcium silicate pastes having an initial water to cement weight ratio close to 0.5. We find that the time dependent ratio of hydrated and unhydrated silica mole numbers can be well characterized by two power-laws in time, $x/(1-x)\sim (t/…
The strain induced by lattice mismatch at the interface is responsible for the different value of the band discontinuities observed recently for the AlN/GaN (AlN on GaN) and the GaN/AlN (GaN on AlN) polar (0001) interface. We present a first-principles calculation of valence band offsets, interface dipoles, strain-ind…
There exists a generic relationship between the thermodynamics of a continuous polymer with a generic self-interaction and the two-point function of an interacting field-theory. In addition, the (2N)-point function of the resulting field theory is similarly related to a system of N interacting polymers. In the present…
A continuum model derived from an atomistic Hamiltonian is used to examine the ordering kinetics in CuAu. A detailed description of the formation of the low and high temperature ordered and modulated superlattice states is given. The metastability of the modulated phase at low temperatures is shown to severely hinder…
I consider the effects of polymers on the smectic phase of a host liquid-crystal matrix. Focusing on the regime in which the polymers are predominatly confined between the smectic layers, I find that the presence of the polymers can lead to a re-entrant phase diagram with the smectic-C sandwiching the smectic-A phase…
A novel intramolecular allylic migration from silicon to carbon was observed during the reaction of allylmethyldichlorosilane with tropolone in the presence of triethylamine to give an isomeric mixture of pentacoordinate silicon compounds having allylated tropolonato ligand. The molecular structure of the major isomer…
An oblate rhombohedral unit cell of α-boron crystal was constructed and the transition of two icosahedra lying at the ends of its short body diagonal was simulated. By applying ab initio Hartree-Fock self-consistent field methods different configurations of two icosahedra were investigated. The obtained structure B 24…
Quasicrystals are solids with quasiperiodic atomic structures and symmetries forbidden to ordinary periodic crystals-e.g., 5-fold symmetry axes. A powerful model for understanding their structure and properties has been the two-dimensional Penrose tiling. Recently discovered properties of Penrose tilings suggest a sim…
New ferrocenyl dendritic macromolecules based on flexible poly(propylenimine) dendrimer cores, built up to the fifth generation, containing 4, 8, 16, 32, and 64 peripheral ferrocenyl moieties, have been prepared and characterized. Solution electrochemical studies showed that all the ferrocenyl redox centers attached t…