Materials Literature
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A model is developed that describes temperature and pressure dependence of dielectric relaxation, ionic conductivity, and viscosity of glass-forming liquids near the glass transition temperature. The expressions for ionic conductivity are compared with experimental results for two polymer electrolytes. Those for diele…
The organization of liquid crystalline fluorinated acrylate polymers has been generally described so far in the literature in terms of phase segregation between hydrogenated and fluorinated moieties within the polymer and preferential orientation induced by the backbone. However, little is known on the effects of the…
Crystallization of poly(vinyl alcohol) in the presence of an inorganic filler surface (sodium montmorillonite, MMT) was observed and compared to the crystallization of the neat polymer. For this purpose, several atomic force microscopy modes, providing spatial resolution between amorphous and crystalline polymer, are…
The preparation and characterization of gold nanoparticles (approximately 3 nm in diameter) capped with thiolated alpha- and beta-cyclodextrins (alpha and beta-CD) is described. The CD-capped nanoparticles are hydrophilic and bind ferrocene derivatives as evidenced by electrochemical and (1)H NMR spectroscopic measure…
Core−shell CdS/SiO 2 nanoparticles were prepared and modified with the atom transfer radical polymerization (ATRP) initiator 3-(2-bromopropionyloxy)propyl dimethylethoxysilane (BIDS). The initiator-modified nanoparticles were then used as macroinitiators for the polymerization of methyl methacrylate (MMA) catalyzed by…
A new one-dimensional (1-D) halogen-bridged mixed-valence diplatinum(II,III) compound, Pt(2)(EtCS(2))(4)I (3), has been successfully synthesized from [Pt(2)(EtCS(2))(4)] (1) and [Pt(2)(EtCS(2))(4)I(2)] (2). These three compounds have been examined using UV-visible-near-IR, IR, polarized Raman spectroscopy, X-ray photo…
The paper reports on the investigations of the weak localization (WL) effects in 3D polycrystalline thin films of InSb. The films are closely compensated showing the electron concentration n>10^{16} cm^{-3} at the total concentration of the donor and acceptor type structural defects >10^{18} cm^{-3}. Unless Pb-doped,…
Examples of irreversible thermodynamic theory of nonlocal phenomena are given, based on generalized entropy current. Thermodynamic currents and forces are identified to derive the Guyer-Krumhansl and Cahn-Hilliard equations. In the latter case Gurtin's rate dependent additional term is received through the thermodynam…
Shear yielding of glassy polymers is usually described in terms of the pressure-dependent Tresca or von Mises yield criteria. We test these criteria against molecular dynamics simulations of deformation in amorphous polymer glasses under triaxial loading conditions that are difficult to realize in experiments. Difficu…
We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's quantum hypernetted chain approximation, which we derive within a DFT formulation. W…
We introduce a new phase-field model which allows for simulation of incoherent solid/solid transformations. Contrary to previous models which impose coherency at the interface, the zero shear-stress condition characteristic of incoherent solids is recovered in the limit of small interface thickness. For the sake of cl…
Monolithic three-way catalysts are applied to reduce the emission of combustion engines. The design of such a catalytic converter is a complex process involving the optimization of different physical and chemical parameters (in the simplest case, e.g., length, cell densities or metal coverage of the catalyst). Numeric…
Ab initio energy structure calculations of pure ${\mathrm{KTaO}}_{3}$ (KTO) and ${\mathrm{KTaO}}_{3}$ doped with Li (KTL) were performed using the CASTEP code [M.C. Payne, M.P. Teter, D.C. Alan, T.A. Arias, and J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992)] based on the density functional theory (DFT) and the int…
At pH 2, the rate constant of hydrolysis of tris(tetraethylammonium) pentacyanoperoxynitritocobaltate(III) in H2O is 9.6×10−6 s−1. In the absence of any light, ONOO− is not replaced by H2O and isomerizes within the coordination sphere to NO3−. The novel complex [Co(CN)5NO3]3− released NO3− slowly, as detected by ion c…
A novel CuI2N6 chromophore has been isolated with 2,2′-bis[(4R)-phenyl]-1,3-oxazoline (L) in the optically pure triple-stranded helicate [Cu2L3](ClO4)2, which displays photoluminescence in methanol at room temperature (emission maximum λem = 385 nm; quantum yield ϕ = 1.6 × 10−4; lifetime τ ≈ 2 ns) as well as at 77 K (…
High pressure luminescence studies of the ${\mathrm{Ce}}^{3+}(1)$ and ${\mathrm{Ce}}^{3+}(2)$ centers in ${\mathrm{Ce}}^{3+}:{\mathrm{Lu}}_{2}{\mathrm{SiO}}_{5}$ have been completed. The studies indicate the presence of energy transfer from ${\mathrm{Ce}}^{3+}(2)$ to ${\mathrm{Ce}}^{3+}(1)$ upon selective excitation o…
When a crystal grows from its undercooled melt the local density changes, driving a convective flow in the liquid phase. Then, the purely diffusional description of the process ceases to be satisfactory. Moreover, the dynamic pressure associated with the flow field may affect the melting temperature (and the effective…
Protoporphyrin IX Zn(II) has been demonstrated to form metalloporphyrin coatings on peptide nanotubes via hydrogen bonds and produce metalloporphyrin nanotubes. This diacid metalloporphyrin was stabilized on the peptide nanotube surfaces with two types of hydrogen bonds, intermolecular hydrogen bond between the carbox…
The coordinatively saturated hydrido complex RuH(biPSi)(CO) 2 ( 1 ), biPSi = −Si(Me)(CH 2 CH 2 CH 2 PPh 2 ) 2, reacts slowly with either water/piperidine or dioxygen to afford the novel “anchored” siloxo complexes ( 3, L = CO) and ( 6, L = CO), respectively, which undergo carbonyl displacement to yield analogues in wh…
Abstract Poly(amide acid) labeled with perylenetetracarboxydiimide (PEDI) was prepared from 3,3′,4,4′‐biphenyltetracarboxylic dianhydride (BPDA), p ‐phenylenediamine (PDA), and diamino‐PEDI. Poly(amide acid) was then reacted with sodium hydride and various kinds of alkyl iodides for transformation into various poly(am…