Materials Literature
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We report on a first-principles investigation of the structural and vibrational properties of vitreous germania $(v\text{\ensuremath{-}}\mathrm{Ge}{\mathrm{O}}_{2})$. Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry out a detailed str…
Rare-earth (RE) doped III-nitrides, prepared by in-situ doping during growth or by ion implantation and annealing, are promising materials for visible light emitting displays. In addition, they are extremely challenging theoretically, on account of the complexity of the sharp inter-4f optical transitions, which are al…
In this work, we calculate the magnetocaloric effect in the series of compounds $({\mathrm{Gd}}_{x}{\mathrm{Tb}}_{1\ensuremath{-}x}{)}_{5}{\mathrm{Si}}_{4}$. We use the classical Monte Carlo simulation to deal with the $4f$ spin-spin interaction as well as the disorder at the rare-earth sites. The calculated isotherma…
New poly-(3-hydroxybutyrate)-based systems for controlled release of anti-inflammatory and antithrombogenic drugs have been studied. The release occurs via two mechanisms (diffusion and degradation) operating simultaneously. Dipyridamole and indomethacin diffusion processes determine the rate of the release at the ear…
Superhydrophobic nano-wire entanglement structures (NWES) were fabricated by the dipping method, based on an anodization process in oxalic acid. The pore diameter and the depth were influenced by the applied voltage and the anodizing time. To obtain the NWES, polytetrafluoroethylene (PTFT, Teflon®: DuPont™) replicatio…
We report on a large transient photoinduced enhancement of the superconducting critical temperature ($\ensuremath{\Delta}{T}_{c}=23\text{ }\text{ }\mathrm{K}$) in epitaxial ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{6.7}/{\mathrm{La}}_{0.7}{\mathrm{Ca}}_{0.3}{\mathrm{MnO}}_{3}$ bilayers upon visible light illum…
Abstract Octa(aminophenyl)silsesquioxane (OAPS) was prepared from octa(nitrophenyl)silsesquioxane (ONPS) by using the stable, inexpensive, and readily available hydrazine hydrate as the reducing agent with a yield of around 86%. The product was characterized by FTIR, GPC, 1 H NMR, 29 Si NMR, and XRD. It was found that…
Long-range-ordered anodic porous alumina having hole intervals from 25 to 30 nm was prepared in H 2 SO 4 electrolyte. Constant-voltage anodization under high temperature condition in addition to high concentration of H 2 SO 4 generated the long-range-ordered anodic porous alumina having ideally ordered hole configurat…
Abstract A gradient extraction method was developed and used for a synthetic leather made of polyurethane (PU) and microfiber polycaprolactam (PA‐6), by which the two components were separated using DMF and formic acid as solvents, respectively. Their chemical structure was confirmed by FTIR spectra, and the result sh…
Monocyte-derived macrophages (MDM) are key inflammatory cells and are central to the foreign body response to implant materials. MDM have been shown to exhibit changes in actin cytoskeleton, multinucleation, cell size, and function in response to small alterations in polycarbonate-urethane (PCNU) surface chemistry. Al…
Abstract Novel nanocomposite films for use in the packaging of foods ready for consumption and based on isotactic polypropylene (iPP) filled with innovative calcium carbonate nanoparticles, as well as having spherical and elongated shape and covered with appropriate coating agent able to better interact with the iPP m…
Fluorescent quantum dots (QDs), because of their tunable spectral properties, are ideal for simultaneous multiplexed detection in an antibody array format. Despite these advantages, their widespread usage is limited by the costly and tedious conjugation and separation protocol. Herein, we report a simple platform for…
Abstract This work investigates two different melt‐blending strategies for preparing compatibilized polypropylene‐clay nanocomposites, specifically: (1) conventional twin‐screw extrusion, and (2) single‐screw extrusion capable of direct supercritical carbon dioxide ( sc CO 2 ) feed to the extruder barrel. Proportional…
A solution obtained by dissolving MoO3 in H2O2 reacts separately with secondary hydroxamic acids (viz., N-benzoyl N-phenyl hydroxamic acid (BPHAH), N-benzoyl N-ortho-, -meta-, -para-tolyl hydroxamic acids, (BOTHAH, BMTHAH, and BPTHAH, respectively), and N-cinnamoyl N-phenyl hydroxamic acid (CPHAH) affording [MoO(O2)(B…
The electronic structure of the low-temperature (LT) monoclinic magnetite ${\mathrm{Fe}}_{3}{\mathrm{O}}_{4}$ is investigated using the local spin density approximation (LSDA) and the $\mathrm{LSDA}+U$ method. The self-consistent charge-ordered $\mathrm{LSDA}+U$ solution has a pronounced [001] charge density wave char…
Controlled hydrolysis of a (beta-diketiminate)calcium-amide gave a heteroleptic (beta-diketiminate)calcium-hydroxide complex that is remarkably stable against ligand exchange and formation of Ca(OH)2. The structure of this dimeric complex shows OH- units that symmetrically bridge the Ca2+ ions. This hydrocarbon-solubl…
We studied the pressure dependence of the room-temperature infrared reflectivity of ${(\mathrm{TMTTF})}_{2}\mathrm{As}{\mathrm{F}}_{6}$ along all three optical axes. This anisotropic organic compound consists of molecular stacks with orbital overlap along the $a$ direction; due to electronic correlations the system is…
Ionic transport in nanostructured solid electrolytes is investigated using an atomistic model that clarifies the enhanced conductivity (see figure) of these materials. It is based on the fast diffusion of free oxygen vacancies through the grain boundaries. A transition observed in the ionic conductivity of the nanocer…
We describe the dielectric effects in a novel branched phthalocyanine system. The synthesis and characterization of the hyperbranched structure are provided. The dielectric constant was approximately 45 over many decades of frequency, and the dispersion was small up to 1 MHz. The losses experienced in this novel mater…
Abstract Mesoporous silica nanofibers with longitudinal pore channels are synthesized in high yields using cetyltrimethylammonium bromide as the structure‐directing agent in hydrobromic acid solutions. These nanofibers are used as templates to prepare gold nanoparticles along the fiber axis. For the gold‐precursor‐loa…