Materials Literature
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Mesostructured vanadium-oxo-based hybrid thin films have been prepared by evaporation-induced self-assembly. Anhydrous metal chlorides (VOCl 3 or VCl 4 ) were used as the vanadium source, and the nonionic surfactant Brij 56 or 58 was used as the structure-directing agent in ethanol/water solutions. Mesostructured film…
Collagen model peptides that contain 2,2'-bipyridyl (bpy) ligands were designed and synthesized. The thermal stability of the collagenous triple helix was increased by forming an Fe(II)(bpy-peptide)(3) complex. The chirality of the metal center was shifted to form right-handed Delta-isomers induced by the supercoiling…
In this paper, computer simulation results of phase separation dynamics of ternary mixture (A, B, and C) coupled with an interfacial chemical reaction A + B C in two-dimension are presented. The effect of reduction of interfacial free energy due to the presence of species C along the interface is taken into considerat…
Abstract The crosslinking of poly(ethylene oxide) (PEO) with a difunctional peroxide such as 2,5‐bis( tert ‐butylperoxy)‐2,5‐dimethylhexane (Luperox 101) may proceed through at least two different pathways. Thus, the thermally formed alkoxy radicals abstract hydrogen from PEO, and the resulting PEO radicals may combin…
The impact of a primary electron initiates a cascade of secondary electrons in solids, and these cascades play a significant role in the dynamics of ionization. Here we describe model calculations to follow the spatiotemporal evolution of secondary electron cascades in diamond. The band structure of the insulator has…
We present ab initio calculation results of spin-polarized electronic structure in disordered bcc ${\mathrm{Fe}}_{1\ensuremath{-}x}{\mathrm{Si}}_{x}$ alloys, starting from dilute solid solutions of Si in iron up to the composition corresponding to the intermetallic compound ${\mathrm{Fe}}_{3}\mathrm{Si} (x=0.01--0.25)…
Several doped type-I silicon clathrates $({\mathrm{Na}}_{8}@{\mathrm{Si}}_{46},$ ${\mathrm{K}}_{8}@{\mathrm{Si}}_{46},$ ${\mathrm{Ba}}_{8}@{\mathrm{Si}}_{46}$ and ${\mathrm{I}}_{8}@{\mathrm{Si}}_{46})$ have been investigated both experimentally by inelastic neutron scattering and x-ray-absorption spectroscopy and theo…
Mesoporous titanium oxide was treated with bis(toluene) titanium under nitrogen at room temperature in toluene, leading to a new blue black material possessing conductivity values of up to 10(-)(2) Omega(-)(1) cm(-)(1). XRD and nitrogen adsorption showed that the mesostructure was fully retained. Elemental analysis in…
A 30-residue peptide, BS30, which incorporates two proline residues to induce reverse turns, was designed to form a triple-stranded beta-sheet monolayer at the air-water interface. To discern the structural role of proline, a second peptide, BS30G, identical to BS30 but with glycine residues replacing proline, was pre…
We have employed variable-temperature scanning tunneling microscopy (STM) to follow the kinetics of reoxidation of a nonstoichiometric ${\mathrm{TiO}}_{2}$ (110) single-crystal surface. The surface is seen to grow during reoxidation between 573 and 1000 K and at pressures from $5\ifmmode\times\else\texttimes\fi{}{10}^…
We report a clear demonstration of drag on colloidal particles by a moving nematic-isotropic interface. The balance of forces explains our observation of periodic, striplike structures that are produced by the movement of these particles.
Molecular mobility and phase structure of biodegradable poly(butylene succinate) (PBS) and poly(butylene succinate-co-20 mol % butylene adipate) [P(BS-co-20 mol % BA)] have been investigated by high-resolution solid-state (13)C NMR. For both samples, two components with different (13)C spin-lattice relaxation time (T(…
This present work describes a preliminary study of modification of graphite felt for future applications in indirect electrolysis. The anodic oxidation of electroactive carboxylate compounds was achieved in aqueous media. The derivatization of the electrode was highlighted by cyclic voltammetry and XPS analyses. Inter…
Molybdena-containing ultrastable (HY) zeolites, prepared using several Mo precursors and activation procedures, were characterized by X-ray absorption near-edge structure (XANES) and X-ray photoelectron spectroscopy (XPS). Combined XANES Mo L -edge and XPS results revealed that the Mo 4 d electronic level is not stron…
The comonomer-unit compositional distributions have been investigated for bacterial poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) [P(3HB-co-3HH)] samples with 3HH unit content of 13.8, 18.0, 22.0, and 54.0 mol %. They were comonomer compositionally fractionated using chloroform/n-heptane mixed solvent at ambient tempe…
We have investigated the electronic structure of ${\mathrm{Sr}}_{2}{\mathrm{FeMoO}}_{6}$ by photoemission spectroscopy and band-structure calculations within the local-density $\mathrm{approximation}+U$ $(\mathrm{LDA}+U)$ scheme. In valence-band photoemission spectra, a distinct double-peak feature has been observed n…
Light-regulated molecular switches that reversibly control biomolecular function could provide new opportunities for controlling activity in diagnostics, affinity separations, bioprocessing, therapeutics, and bioelectronics applications. Here we show that site-specific conjugation of light-responsive polymers near the…
Large polycyclic aromatic hydrocarbons (PAHs) can be considered as nanographenes, whose electron donating or accepting properties are controlled by their size and shape as well as functionalities in their periphery. Epitaxial thin films of them are targets for optoelectronic applications; however, large PAHs are incre…
We propose a simple cluster-based method with application to calculations of Compton profile anisotropies of ice. The convergence of the method is checked with respect to Crystal95 results. Increasing both basis-set quality and cluster sizes results in a decrease of the magnitude of theoretical Compton anisotropies. T…
We study the optical properties of crystals with spatial dispersion and show that the usual Fresnel approach becomes invalid near frequencies where the group velocity of the wave packets inside the crystal vanishes. Near these special frequencies the reflectivity depends on the atomic structure of the crystal provided…