Materials Literature
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A previously reported density-functional-theory-based model of NO decomposition in Cu-exchanged zeolites (Schneider, W. F.; et al. J. Phys. Chem. B 1997, 101, 4353) is extended to consider more generally the Cu-zeolite catalyzed chemistry of nitrogen oxides. The catalyst active site is considered to be an isolated, ze…
A key to optimizing the growth of the new single-crystal relaxor ferroelectrics is resolving basic questions concerning their structural properties and energetics. We report on initial first-principles total energy and force calculations, examining the energetics of local order in PZN type relaxors.
The electronic energy-loss straggling of protons and antiprotons moving at arbitrary nonrelativistic velocities in a homogeneous electron gas are evaluated within a quadratic response theory and the random-phase approximation (RPA). These results show that at low and intermediate velocities quadratic corrections reduc…
The new oligomeric selenophosphate anion [P8Se18]6- has been prepared by stoichiometric reaction of K2Se, P, and Se at 510 °C. The molecule is an oligomeric unit, which consists of four [PyQz]n- subunits, that is, three [P2Se6] and two [PSe3] fragments, linked in an alternating fashion. The most intriguing feature of…
To understand the orientation effect of coordinated imidazole ligands, a series of low-spin (tetraalkylporphyrinato)iron(III) complexes, [Fe(TRP)(L) 2 ] + and [Fe(TRP)(L)(CN)], carrying at least one orientationally fixed imidazole (L) have been prepared. The 1 H NMR pyrrole signals of a series of [Fe(TRP)(2-MeIm) 2 ]…
The coating of polyaniline (PAN) and polypyrrole (PPY) films on low-density polyethylene (LDPE) substrates was carried out via immersion of the substrate in a reaction mixture of the monomer, an oxidizing agent, and a doping agent or counterion. The effects of the immersion time in the reaction mixture, the doping age…
A variable-duty cycle-pulsed radio frequency discharge is shown to provide film chemistry control during plasma polymerization of acryloyl chloride. A nonlinear dependence is observed between the percent retention of acid chloride groups in the deposited films and the average power input during plasma polymerization.…
The crystal structure of poly( tert- butylethylene sulfide) (PTBES) determined in 1977 by Matsubayashi et al. ( Macromolecules 1977, 10, 996) is reexamined. Single crystals, of an unusual triangular shape, and epitaxially crystallized samples have been obtained and investigated by electron microscopy and electron diff…
Fine gold (Au) particles were formed by photochemical and thermal processes in silica/titania glassy films. Photoreduction and/or thermal gelation of films dip-coated from silica/titania precursor solutions including Au(III) ions yielded gold particles. Particle formation was accompanied by changes in the surface plas…
Organosilicon tetraphenylporphyrins (Si(TPP)R2) with alkyl, alkenyl, alkynyl, and aryl groups at the axial positions (R) were synthesized. X-ray crystallographic studies demonstrated that the porphyrin ligands are virtually “planar” in Si(TPP)(CH2CH2CH3)2 and Si(TPP)(CHCH2)2, nearly planar but slightly “waved” in Si(T…
Uniform colloidal particles of thorium and cesium tungstophosphates of different morphologies have been prepared by controlled precipitation. The method consists of direct reaction of aqueous solutions of salts of the corresponding metals and tungstophosphoric acid, H 3 PW 12 O 40, at elevated temperatures (90 °C) und…
Thin films of p-type doped polythiophene were found to react rapidly but irreversibly with ammonia and water, whereas the loss of conductivity was largely reversible by evacuation in p-type doped polypyrrole. The interaction between compensating agents such as ammonia and water with p-type doped polythiophene and poly…
Transient experiments performed over synthesized and commercial V 2 O 5 −WO 3 /TiO 2 catalysts during catalyst conditioning and during step changes of the operating variables (SO 2 inlet concentration and temperature) show that conditioning of the catalyst is required to attain significant and reproducible steady-stat…
Numerous experiments have shown that strain broadening caused by dislocations can be well described by a special logarithmic series expansion of the Fourier coefficients of Bragg reflection peak profiles. In the present work it will be shown that this formalism can be incorporated into the classical methods of William…
The chemisorption of trimethylaluminum on dehydrated mesoporous MCM-41 is described. The sorption capacity of the silicate material was examined by addition of various amounts of the organoaluminum reagent and monitored by elemental analysis, FTIR spectroscopy, and nitrogen physisorption measurements. Multinuclear ( 1…
Polymer/liquid crystal (LC) composite films possessing an azobenzene LC as a photoresponsive molecule (AzoCFs) were prepared by the thermal polymerization-induced phase separation method. The composite films (AzoCFs) showed a strong light-scattering state after polymerization, and their optical properties were strongl…
Polymer-containing silicate gels were hydrothermally crystallized to form layered magnesium silicate hectorite clays containing polymers that are incorporated in situ. Gels consist of silica sol, magnesium hydroxide sol, lithium fluoride, and the polymer of choice. Dilute solutions of gel in water are refluxed for var…
We consider the behavior of an Ising ferromagnet obeying the Glauber dynamics under the influence of a fast switching, random external field. After introducing a general formalism for describing such systems, we consider here the mean-field theory. A novel type of first order phase transition related to spontaneous sy…
We consider the behavior of an Ising ferromagnet obeying the Glauber dynamics under the influence of a fast switching, random external field. In Part I, we introduced a general formalism for describing such systems and presented the mean field theory. In this article we derive results for the one dimensional case, whi…
We consider a randomly forced particle moving in a finite region, which rebounds inelastically with coefficient of restitution r on collision with the boundaries. We show that there is a transition at a critical value of r, r_c\equiv e^{-π/\sqrt{3}}, above which the dynamics is ergodic but beneath which the particle u…