Materials Literature
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Calculations of the hyperpolarizability are typically much more difficult to converge with basis set size than the linear polarizability. In order to understand these convergence issues and hence obtain accurate ab initio values, we compare calculations of the static hyperpolarizability of the gas-phase chloroform mol…
Abstract The influence of the functionalization of fully condensed POSS cages on the properties of POM‐based nanocomposites is studied. POSS with different organic substituents [glycidylethyl, aminopropylisobutyl, and poly(ethylene glycol)] are taken into account and melt mixed with POM. Good dispersion was achieved u…
Nonlinear electrical properties of graphene-based three-terminal nanojunctions are presented. Intrinsic rectification of voltage is observed up to room temperature. The sign and the efficiency of the rectification can be tuned by a gate. Changing the charge carrier type from holes to electrons results in a change in t…
BACKGROUND: Current approaches in bone regeneration combine osteoconductive scaffolds with bioactive cytokines like BMP or VEGF. The idea of our in-vitro trial was to apply VEGF165 in gradient concentrations to an equine collagen carrier and to study pharmacological and morphological characteristics of the complex in…
High quality Cu(I)-doped CdS [CdS:Cu(I)] nanocrystals were synthesized by thermolysis of metal acetylacetonate complexes in n-dodecanethiol. The optical emission of the doped nanocrystals was observed to change from surface trap-dominant emission to Cu(I)-dominant emission with respect to the reaction time and the dop…
We report the calculation of the coexisting densities and surface tensions of the liquid-vapor equilibrium using the multibody dissipative particle dynamics and Monte Carlo (MMC) methods. We focus on the calculation of the surface tension by using the thermodynamic and mechanical routes. It is the first time that the…
Microvascular networks show promise for applications such as self-healing, self-cooling, and structural damage sensing. Fluid-filled micro-scale channels have been investigated extensively in the field of microfluidics, but three-dimensional networks in polymeric structural materials have been achieved only recently.…
Herein we analyze the accessibility of the trigonal-prismatic geometry to metal complexes with different electron configurations, as well as the ability of several hexadentate ligands to favor that coordination polyhedron. Our study combines i) a structural database analysis of the occurrence of the prismatic geometry…
Abstract An alkoxy‐substituted poly(phenylene thiophene) is used in order to suspend single‐walled carbon nanotubes in an organic solvent. The suspension is spread on the air–water interface of a Langmuir trough and the floating film is characterized by means of Brewster angle microscopy and UV‐visible reflection spec…
Abstract Rheological behavior and spinnability of biodegradable materials based on SPI and PVA were studied for the production of electrospun fibers. pH level, processing temperature, and heating time were adjusted to investigate the effects of denaturing of soy protein on the rheology of SPI/PVA solutions. The result…
Supported Au−Pd catalysts have been shown to exhibit superior catalytic performances when compared to their monometallic counterparts in a variety of reactions. In addition, the nature of the support often plays a critical role in reactivity. To gain a deeper understanding of the structure−reactivity relationship of t…
From an interplay between scanning tunneling microscopy, temperature programmed desorption, X-ray photoelectron spectroscopy, and density functional theory calculations we have studied low-temperature CO oxidation on Au/Ni(111) surface alloys and on Ni(111). We show that an oxide is formed on both the Ni(111) and the…
Microgel grow-bags: Surface-enhanced Raman scattering (SERS)-active bimetallic core–shell spheres can be grown inside poly(N-isopropylacrylamide) (pNIPAM) microgels (see figure).
INTRODUCTION: The objective of this study was to evaluate the efficacy of intravenous (i.v.) injection of liposomally encapsulated dexamethasone phosphate (DxM-P) in comparison to free DxM-P in rats with established adjuvant arthritis (AA). This study focused on polyethylene glycol (PEG)-free liposomes, to minimize kn…
Nanoparticles with well-defined chemical compositions can act as building blocks for the construction of functional structures, such as highly ordered aggregates, as well as porous and hollow aggregates. In this work, a spray-drying technique is used to form a crystal-like structure with nanoparticle building blocks.…
Ternary single crystals xPb(In(12)Nb(12))O(3)-(1-x-y)Pb(Mg(13)Nb(23))O(3)-yPbTiO(3) (PIN-PMN-PT) poled along [011](c) showed remarkable electromechanical properties. We report complete sets of elastic, dielectric, and piezoelectric constants of PIN-PMN-28%PT and PIN-PMN-32%PT, measured by using combined resonance and…
Let there be more light: Triarylamine-based building blocks respond to visible-light exposure by the formation of cationic radicals that hierarchically self-assemble into molecular wires, which in turn combine within larger fibers (see picture). The stimuli-responsive supramolecular scaffold, which is created by charg…
Mineral segregation in igneous systems, and igneous layering in particular, can occur during ageing of crystal assemblages because areas composed of nominally larger grains or texturally favoured regions grow at the expense of adjacent unfavoured regions owing to the concentration gradients in the liquid that arise fr…
We report on the synthesis of a porous hierarchical disklike ZnO nanostructure fabricated via a simple low-temperature hydrothermal method for photovoltaic applications. The hierarchical ZnO nanostructures consist of porous ZnO nanowires growing in six symmetric directions and form a disklike shape. Owing to the enlar…
We report a new generic method of reversibly controlling the photochromism of spiropyrans. It was found that the photochromic effect of spiropyrans can be reversibly switched on and off by addition and removal of carbon dioxide (CO(2)) to spiropyran in alcohol solutions containing an amidine (i.e., DBU) that acts as a…