Materials Literature
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We investigate the dynamical properties of monodomain nematic liquid crystals under shear flow and magnetic fields on the basis of the Ericksen-Leslie theory. Stable and unstable states appear depending on the magnetic field and the shear rate. The trajectory of the unstable state shows tumbling motion. The phase diag…
Using parallel three-dimensional Monte Carlo simulations, we investigated the effects of precipitates and sub-boundaries on abnormal grain growth (AGG) of Goss grains based on real orientation data of primary recrystallized Fe–3%Si steel. The simulations showed that AGG occurred in the presence of precipitates which i…
Homo‐ and copolymers of 4‐fluorostyrene (FSt) and styrene (St) were synthesized with different feed ratios using free radical bulk polymerization with azobisisobutyronitrile (AIBN) as initiator. It yielded series of (co)polymers with various amounts of included FSt, P(St‐ co ‐FSt) (5–50 mol%) and PFSt. The effect of t…
Three LDPE nanocomposites based on the nanoscale fillers, montmorillonite clay, silica, and zinc oxide were studied to determine if the reinforcement they imparted was accompanied by any change in the weatherability of the nanocomposite. Changes in weathering behavior were monitored in samples exposed to natural weath…
Using density functional theory supplemented with on-site Coulomb $U$ interaction in combination with ab initio molecular dynamics simulations, we investigate the spin-crossover (SCO) properties of a Fe(II) based cyanide-bridged square molecular system, [Fe${}^{\mathrm{II}}$${}_{4}$($\ensuremath{\mu}$-CN)${}_{4}$(bpy)…
The photorelease of a sensitizer from a fluorinated silica surface occurs by a reaction of singlet oxygen with the vinyl ether bond linker with scission of a dioxetane intermediate. Irradiation of the released sensitizer generates singlet oxygen, which accelerates the release of more sensitizer via an autocatalytic re…
Transmission electron microscopy characterization of two major long-period stacking ordered (LPSO) phases in Mg-Zn-Y alloy, i.e., 18R- and 14H-LPSO are reported. The space group and atomic-scale microstructures of both compounds were determined using a combination of electron diffraction, convergent beam electron diff…
There is a growing interest in using quantum dots (QDs) and metallic nanoparticles (NPs), both for luminescence enhancement and surface‐enhanced Raman scattering (SERS). Here, we study the electromagnetic‐field enhancement that can be generated by lead‐sulfide (PbS) QDs using three‐dimensional finite‐element simulatio…
Whereas covalently constructed dendrimers are very numerous, there are only a few examples of dendrimers based on ionic bonds with tethers or dendrons. Here such constructions were designed in order to examine their physicochemical consequences: in particular, the electrochemical and redox properties. Two series of se…
The photoreduction of water-soluble cationic manganese(III) meso-tetrakis(1-methylpyridium-4-yl)porphyrin (Mn(III)(TMPyP)(4+)) bound to a synthetic polynucleotide, either poly[d(A-T)2] or poly[d(G-C)2], was examined by conventional absorption and circular dichroism (CD) spectroscopy, transient absorption, and transien…
Poly(propylene succinate) (PPSu) is a biodegradable polyester with a fast biodegradation rate. New semicrystalline/amorphous blends by mixing PPSu and poly(4-vinylphenol) (PVPh) were prepared by solution casting. A single composition-dependent glass transition temperature was observed over the entire composition range…
An approach to the analysis of the performance of the diesel oxidation catalysts is presented in this article. A modeling methodology is proposed, whose main characteristics are the usage of a limited set of input data for the execution of the simulations, the minimal effort required for the preliminary calibration of…
Cadmium selenide nanoparticle films were deposited on usual glass substrate by chemical bath deposition method. Temperature dependence of dc conductivity of the present samples was studied. In the nanocrystalline materials due to small size of grains and confined charge carriers, the electronic states near the Fermi l…
Abstract Cu@C composite spheres with copper nanoparticles dispersed in the carbonaceous matter have been synthesized by a one‐step hydrothermal method by using different copper salts mixed with an aqueous glucose solution. The spheres have been characterized by X‐ray diffraction, scanning electron microscopy, transmis…
A facile and phosgene-free synthetic route to poly(l-tryptophan) 2 by the polycondensation of N-phenoxycarbonyl-l-tryptophan 1 is described. The monomer 1 was synthesized via the carbamylation of tetrabutylammonium salt of L-tryptophan with diphenyl carbonate. The polycondensation proceeded smoothly at 60 °C in N,N-di…
We demonstrate molecular beam epitaxy (MBE) grown degenerately doped InGaBiAs:Si as a new transparent contact material usable from the near-infrared (near-IR) to the mid-infrared (mid-IR). This material system can exhibit high transparency over large portions of the 1.3-12.5 μm wavelength range, with the exact transpa…
A series of α,ω‐di‐substituted phenyl polyenes, p‐X –Ph(CH = CH) n Ph– p‐Y ( n = 1, 2, or 3) were synthesized, and their ultraviolet (UV) absorption maximum wavelength were determined. The correlation between molecular structure and the maximum wavelength energy (wavenumber/cm −1 ) was carried out. The results show th…
The nanostructured carbon materials have been widely tested as catalyst in a number of chemical reactions. The oxygen functional groups on nanostructured carbon catalyst are believed to be the active sites, for example, in the oxidative dehydrogenation reaction of hydrocarbons. However, the doping is one of the effect…
We report a method to promote photoluminescence emission in graphene materials by enhancing carrier scattering instead of directly modifying band structure in multilayer reduced graphene oxide (rGO) nanospheres. We intentionally curl graphene layers to form nanospheres by reducing graphene oxide with spherical polymer…
Using Raman spectroscopy, we demonstrated photothermally induced crystallographic phase transitions of vanadium dioxide (VO2) nanobeams clamped to and free-standing on a substrate. Compared to the temperature-dependent Raman measurements, the laser-power-dependent Raman characteristics provide substantial evidence for…