Materials Literature
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A diversity-oriented approach for the generation of thermochemical benchmark sets is presented. Test sets consisting of randomly generated "artificial molecules" (AMs) are proposed that rely on systematic constraints rather than uncontrolled chemical biases. In this way, the narrow structural space of chemical intuiti…
In the design of nanoparticles that can target disease tissue in vivo, parameters such as targeting ligand density, type of target receptor, and nanoparticle shape can play an important role in determining the extent of accumulation. Herein, a systematic study of these parameters for the targeting of mouse xenograft t…
The mechanical properties of polyvinyl alcohol (PVA) and poly(methyl methacrylate) (PMMA)-matrix composites reinforced by functionalized few-layer graphene (FG) have been evaluated using the nano-indentation technique. A significant increase in both the elastic modulus and hardness is observed with the addition of 0.6…
We found that multiwalled carbon nanotubes (MWNTs) can be opened longitudinally by intercalation of lithium and ammonia followed by exfoliation. Intercalation of open-ended tubes and exfoliation with acid treatment and abrupt heating provided the best results. The resulting material consists of: (i) multilayered flat…
Colloidal quantum dot–polymer composites are used for inkjet-print deposition of high-resolution, patterned, multicolored thin films in the fabrication of robust, bright, full-color AC-driven displays. The left panel shows a photograph of a complete device on a flexible substrate under UV illumination, while the right…
Abstract Few engineering materials are limited by their strength; rather they are limited by their resistance to fracture or fracture toughness. It is not by accident that most critical structures, such as bridges, ships, nuclear pressure vessels and so forth, are manufactured from materials that are comparatively low…
Abstract Various inorganic nanoparticles have been used as magnetic resonance imaging (MRI) contrast agents due to their unique properties, such as large surface area and efficient contrasting effect. Since the first use of superparamagnetic iron oxide (SPIO) as a liver contrast agent, nanoparticulate MRI contrast age…
Certain Gd alloys, such as Gd-Y, are known to exhibit an apparent ``double ferromagnetism'' in which the $c$ axis component orders on cooling from the paramagnetic phase $({T}_{C1})$, while the basal-plane component remains effectively paramagnetic. Subsequently the basal-plane component orders at a lower temperature…
We study the equilibrium conformations of a grafted polyelectrolyte (PE) in the presence of explicit counterions (CIs) using Monte Carlo simulations. The interplay between attractive Lennard-Jones interactions (parametrized by epsilon) and electrostatics (parametrized by A=q(2)l(B)/a, where q is the CI valency, l(B) i…
Magnetically separable mesoporous silica microspheres with open pore systems have been synthesized in supercritical carbon dioxide (SC-CO 2 ). In the experiments, using the excellent transport properties of supercritical carbon dioxide, an acetone solution containing iron(III) acetylacetonate [Fe(acac) 3 ] was easily…
In order to prepare novel biomaterials, it is essential to investigate the self-assembly behaviour of molecules containing both hydrophobic and hydrophilic groups, and to understand their structural change and morphological development. In this paper, we studied the self-assembly behaviour of fluorinated double-chain…
We consider periodic multilayers combining ordinary positive index materials and dispersive metamaterials with negative index in some frequency ranges. These structures can exhibit photonic bandgaps which, in contrast with the usual Bragg gaps, are not based on interference mechanisms. Changing the dispersion models f…
Reverse Mode Polymer Dispersed Liquid Crystal films obtained by the photo polymerization of homeotropically aligned Liquid crystal solutions, have been investigated in order to optimise their optical contrast with the aim of their application as windows able to be switched from an high transparent state into a very op…
We study the dynamics of pattern formation of two-dimensional smectic systems constrained to lie on a substrate with sinusoidal topography. We observe a coupling between defects and geometry that induces the preferential location of positive (negative) defects onto regions with positive (negative) Gaussian curvature.…
This report discusses the effect of oxygen concentration at atmospheric pressure on the structural composition and ferromagnetism of nanoparticles of Fe doped SnO2. Sn0.95Fe0.05O2 was annealed under controlled atmospheres with gradually increasing oxygen concentrations (varying O2 from 0 to 106 ppm in N2). Prominent m…
Because the skin is a surface, it is convenient to analyze and describe it in terms of its surface characteristics such as friction. Tribological studies of skin provide valuable insight into how the skin interacts with other surfaces and how it can change under various conditions, like age and health, and chemical tr…
Abstract The mixed anion mineral parnauite Cu 9 [(OH) 10 |SO 4 |(AsO 4 ) 2 ]·7H 2 O has been studied by Raman spectroscopy. Characteristic bands associated with arsenate, sulphate and hydroxyl units are identified. Broad bands are observed and are resolved into component bands. Two intense bands at 859 and 830 cm −1 a…
The reaction of acetone is studied on the surfaces of polycrystalline UO2, prepared by hydrogen reduction of U3O8 at 770 K. The study is conducted by in situ Fourier transform infrared (FTIR) and temperature-programmed desorption (TPD). Acetone adsorption does not fit the simple Langmuir model, and adsorbate-adsorbate…
The electronic structure and magnetic properties of Co-doped CeO(2) are theoretically investigated by first principles calculations based on the density functional theory + U (DFT+U) methods, using the WIEN2k package. With the presence of oxygen vacancies (V(O)) in CeO(2), d and f orbits of Ce are obviously pulled clo…
Abstract Electrical conductivity, current–voltage ( I – V ) characteristics, and low‐temperature magnetoresistance of template‐synthesized poly(3,4‐ethylenedioxythiophene) (PEDOT) nanowires are reported. The room‐temperature conductivity of the semiconducting nanowire with a diameter of 82 nm is about 80 S/cm. It is f…