Materials Literature
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Analytical expressions for predicting the depletion interaction in charged systems where long-range electrostatic effects are important are presented. The approach used was to model the nonadsorbing materials as hard particles but with an effective size representing the hard-core size and the effective size of the cha…
The effect of local heterogeneity on the distribution of dielectric relaxation times was studied for concentrated solutions of poly(vinyl acetate) (PVAc) in 1-methylnaphthalene (MN) and those of poly(vinyl octanoate) (PVOc) in toluene (Tol). The half-widths Λ of the dielectric loss curves for the primary processes of…
Polymer-induced interactions between two small mesoscopic particles of radius R and between a particle and a wall are investigated for dilute or semidilute embedding solutions of long flexible nonadsorbing polymer chains with radius of gyration Rg. Asymptotically exact predictions are obtained using a “small radius ex…
The UV-vis absorption spectra and the formation kinetics of sitting-atop (SAT) complexes (M(H2tpp)2+) of 5,10,15,20-tetraphenylporphyrin (H2tpp) with a series of divalent metal ions (M2+ = Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) in acetonitrile have been investigated. The structural characteristics of the SAT complexe…
This paper addresses one of the fundamental questions in the theory of hard-disk packings—how order within a system relates to packing density. The algorithm presented is a seed-based, growth protocol in which new disks are added sequentially to the surface of a growing cluster. The angular position of the new disk is…
X-ray absorption fine structure (XAFS) spectroscopy and diffuse reflectance spectroscopy (DRS) were applied to assess the solubility-limiting phase of Ni in cement systems. The study provides first direct spectroscopic evidence for the formation of Ni- and Al-containing hydrotalcite-like layered double hydroxides (Ni−…
The interactions of H 2 O with solid H 3 PW 12 O 40 have been studied by IR spectroscopy, and the results are compared with those obtained for H 2 O interacting with other acidic or superacidic solid systems (acidic zeolites and the perfluorosulfonic membrane H-Nafion). In fully dehydrated HPW a heterogeneous family o…
The drying of thin nanocrystal solution films creates a varied range of structured aggregate spatial patterns as a function of surface coverage. These images can be understood as predicted kinetic stages in the fluid-fluid spinodal phase separation of a 2D van der Waals particle system. It is suggested that phase sepa…
Irradiation induced structural damage and evolution of mechanical properties in high entropy fluorite oxide,
The single-particle spectral function and the density response of a two band Emery model for CuO chains is calculated for large on-site Cu repulsion U and large on-site energy difference Δ. For U>>U-Δ>>t the eigenfunctions are products of charge and spin parts, which allows analytical calculation of spectral functions…
We comment on the stability analysis of alpha-quartz under pressure by Gregoryanz et al., Phys. Rev. Lett. 84, 3117 (2000). The proper stability criterion for solids under pressure has to be formulated in terms of Birch coefficients rather than in terms of elastic constants. We show that the fictitious (extrapolated)…
A novel protocol for designing a variety of topologically unique multicyclic polymer architectures, such as mono-, bi-, and tricyclic polymers as well as topological isomers, has been proposed on the basis of an electrostatic self-assembly of polymer precursors having five-membered cyclic ammonium salt groups accompan…
The snapping shrimp (Alpheus heterochaelis) produces a loud snapping sound by an extremely rapid closure of its snapper claw. One of the effects of the snapping is to stun or kill prey animals. During the rapid snapper claw closure, a high-velocity water jet is emitted from the claw with a speed exceeding cavitation c…
The Hall-type ion source operated with nitrogen has been used in two ways in the synthesis of carbon nitride films: by ion beam nitridation of a graphite target and by simultaneous deposition on a collector (silicon wafer and nickel foil) of sputtered carbon atoms and nitrogen atoms from the surrounding nitrogen plasm…
The effect of an oriented microphase-separated structure, induced by an applied flow bias field (roll casting), on the crystallization of the polyethylene (PE) block in a semicrystalline polystyrene- block -(polyethylene- alt -propylene)- block -polyethylene terpolymer has been analyzed. The orientation and morphology…
Calculations of crystal field parameters from first principles depend upon a knowledge of the crystal structure in the immediate neighbourhood of the magnetic ion. The calculated crystal field contributions for single ligands (see Chapter 1) can then be combined to estimate values of the crystal field parameters for r…
Batch adsorption experiments in the presence of oxygen were performed to study the interlayer reactions of aniline on Cu(II)-montmorillonite in aqueous solutions. At concentrations below a critical value of C C = 2.6 mmol dm - 3 only a colored Cu(II)−aniline complex is formed, characterized by a stability constant of…
The reaction mechanism and energetics for the conversion of methanol to formaldehyde by an iron−oxo species, FeO +, is investigated. Three competitive reaction pathways for the catalytic reaction are analyzed from DFT computations at the B3LYP level of theory. In Path 1, the H atom of the OH group of methanol is first…
Amine-based donor radicals, such as dimethylamino-, diethylamino- and morpholinonitronyl nitroxides, were synthesized, and their donor abilities were examined by cyclic voltammetry. ESR spectra of the singly oxidized donor radicals showed ground state triplet signals derived from the cation radicals of these donor rad…
Hexanuclear {[Mn(bpy)2]2(μ-NC)2[Mo(CN)6]2(μ-CN)2[Mn(bpy)2]2}· 8H2O is formed in the reaction of the [Mo(CN)8]4- complex with labile cis-[Mn(bpy)2Cl2] in aqueous solution. The X-ray structure of the Mn4Mo2 cluster reveals an octahedral geometry with Mn atoms in a rectangular array. The Mo units located on the axis almo…