Materials Literature
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A computational study of the ground- and excited-state properties of the mixed-valence complex [(NH 3) 5Ru (III)NCRu (II)(CN) 5] (-) is presented. Employing DFT and TDDFT calculations for the complex in the gas phase and in aqueous solution, we investigate the vibrational and electronic structure of the complex in the…
We have investigated the phase transition behaviors of an antiferroelectric liquid crystal, which was reported to exhibit a re-entrant phase transition (SmC*-SmCA*-SmC*-SmA in the order of increasing temperature) by application of electric fields. By birefringence and dielectric measurements an electric-field-temperat…
There is limited knowledge on the influence of the pore size on surface phenomena (adsorption, dissolution, precipitation, etc.) at the oxide/water interface and a better understanding of the space confinement in nanoscale pores should have practical implications in different areas, such as transport of contaminants i…
Pyridoxal 5'-phosphate (PLP) and pyridoxamine 5'-phosphate (PMP) are highly versatile coenzymes whose importance is well recognized. The capability of PLP/PMP-dependent enzymes to catalyze a diverse array of chemical reactions is attributed to fine-tuning of the cofactor-substrate interactions in the active site. CDP-…
By utilizing multi-frequency electron paramagnetic resonance (EPR) spectroscopy, the manganese functional-centre site in manganese-modified polycrystalline lead titanate (PbTiO 3 ) was studied. Isovalent Mn 4+ ions were identified as substituting for Ti 4+ at the B-site of the perovskite ABO 3 lattice. Based on Newman…
The hydrogen bonds directed molecular recognition phenomenon between 1-(6-mercaptohexyl)thymine-capped cadmium selenide nanocrystals and diaminopyrimidine-functionalized poly(alkylthiophene), that is, poly(3-hexylthiophene- co -oxy diaminopyrimidine-hexylthiophene), is exploited in the layer-by-layer assembly of these…
Various Y 2 O 3 /ZrO 2 samples were fabricated by hot pressing, whereby Y 2 O 3 was mutually dissolved or reacted with ZrO 2 as a solid solution or Zr 3 Y 4 O 12 . Hot‐pressed samples were allowed to react with Ti melt at 1700°C for 10 min in argon. Microstructural characterization was conducted using X‐ray diffractio…
The transfer of six dendritric molecules, DMs, across the water/1,2-dichloroethane interface was investigated using cyclic voltammetry. From the variation of peak potential with pH, two different mechanisms of transfer were postulated depending on the nature of the molecules. Voltammetric parameters were employed to e…
Abstract In this Full Paper, the possibility of reversibly changing the diffraction efficiency of gratings, fabricated by soft molding lithography on polymer films, containing photochromic molecules, is demonstrated. In particular, alternating UV and visible laser irradiation of the gratings causes the doped photochro…
We test the performance of a recently proposed fundamental measure density functional of aligned hard cylinders by calculating the phase diagram of a monodisperse fluid of these particles. We consider all possible liquid-crystalline symmetries, namely, nematic, smectic, and columnar, as well as the crystalline phase.…
A spheroid is an ellipsoid for which two of the axes are equal, and here the interaction between spheroidal fullerenes and carbon nanotubes is modeled using the Lennard–Jones potential and the continuum approximation. The resulting surface integrals are evaluated analytically for a number of configurations, including…
Abstract In this article, the effects of m ‐isopropenyl‐α,α‐dimethylbenzyl isocyanate grafted polypropylene ( m ‐TMI‐PP) on the interfacial interaction of wood‐flour/polypropylene (WF/PP) were investigated by means of scanning electron microscopy (SEM), differential scanning calorimetry (DSC), thermogravimetry, dynami…
Abstract Two Yb 3+ compounds, [C(NH 2 ) 3 ] 2 [Yb(EDTA)(H 2 O) 2 ]ClO 4 · 6H 2 O and [C(NH 2 ) 3 ][Yb(CDTA)(H 2 O) 2 ] · 4H 2 O, where EDTA is the ethylenediaminetetraacetate anion and CDTA is the trans ‐1,2‐diaminecyclohexane‐ N , N , N′ , N′ ‐tetraacetate anion, were obtained and their crystal structures and spectro…
Abstract Thermoplastic vulcanizates (TPE‐Vs) are a special class of thermoplastic elastomers (TPEs), where the rubber phase is dynamically crosslinked in the presence of a thermoplastic matrix. The goal of this work is to compare the behavior of two curing agents systems, conventional peroxide named Peroximon and bism…
To determine whether the stationary sigma factor, sigma(S), influences polyhydroxyalkanoate metabolism in Pseudomonas putida KT2440, an rpoS-negative mutant was constructed to evaluate polyhydroxyalkanoate accumulation and expression of a translational fusion to the promoter region of the genes that code for polyhydro…
Ferromagnetic resonance was used to study the influence of vicinal (miscut) angle and film thickness on in-plane fourfold and uniaxial magnetic anisotropies in epitaxial ${\mathrm{Fe}}_{3}{\mathrm{O}}_{4}$ films grown on vicinal MgO(100) surfaces. The in-plane fourfold anisotropy constant ${K}_{4\ensuremath{\parallel}…
Abstract Ordered nanowells with diameters of ca. 40 nm and depth of 1–2 nm were prepared on a poly(methyl methacrylate) (PMMA) spherical domain, which was exposed on the polystyrene‐ block ‐poly(methyl methacrylate) (PS‐ b ‐PMMA) copolymer thin film. The PS‐ b ‐PMMA film formed spherical PMMA domains after the film wa…
Peculiarities in the nonlinear dielectric response of the relaxor lead magnoniobate (PMN) are explained within the classic Landau-Ginzburg-Devonshire theory. It turns out that a correction term proportional to the square of the polarization, P 0 2 , of polar nanoregions (PNRs) becomes relevant in relaxor ferroelectric…
We have examined time-averaged charges of the molecular donors around the phase boundary between the insulating, superconducting, and metal phases for ${\ensuremath{\beta}}^{\ensuremath{''}}$-type ET [$\mathrm{ET}=\text{bis}$-ethelenedithio-tetrathiafulvalene] salts with one (two) hole(s) per two (three) molecules by…
Sieving single atoms: The binding of single metal atoms to thin SiO2 films grown on Mo(112) depends on the size of the adatom. While Pd atoms are able to pass the nanopores in the silica network (see figure) and strongly bind to the Mo–SiO2 interface, Au atoms are too big for a penetration and interact only with line…