Materials Literature
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Whereas the Daltonian atom-to-atom ratios in ordinary molecules are well understood via the traditional theory of valence, the naturally occurring stoichiometries in intermetallic compounds ${A}_{p}{B}_{q}$, as revealed by phase-diagram compilations, are often surprising. Even equal-valence elements $A$ and $B$ give r…
Adipose-derived stem cells (ASCs) may provide a clinical option for rebuilding damaged superficial lamina propria of the vocal fold. We investigated the effects of five hydrogels (hyaluronic acid [HA], collagen, fibrin, and cogels of fibrin-collagen and fibrin-HA) on the differentiation of ASCs, with the long-term goa…
The electronic structure and oxidation state of atomic Au adsorbed on a perfect CeO(2)(111) surface have been investigated in detail by means of periodic density functional theory-based calculations, using the LDA+U and GGA+U potentials for a broad range of U values, complemented with calculations employing the HSE06…
At the core of amyloid fibrils is the cross-beta spine, a long tape of beta-sheets formed by the constituent proteins. Recent high-resolution x-ray studies show that the unit of this filamentous structure is a beta-sheet bilayer with side chains within the bilayer forming a tightly interdigitating "steric zipper" inte…
Pure BiFeO3 (BFO), Nd-doped BFO (BNF) and Nd and Mo co-doped BFO (BNFM) multiferroic thin films were prepared by pulsed laser deposition on Pt/Ti/SiO2/Si substrates. Among these films, the BNFM film exhibited the lowest dielectric loss and leakage current density, a well-saturated P–E loop, excellent charge-retaining…
We investigated the influence of processing conditions, nanocrystal/substrate interactions and solvent evaporation rate on the ordering of strongly interacting nanocrystals by synergistically combining electron microscopy and synchrotron-based small-angle X-ray scattering analysis. Spin-cast PbSe nanocrystal films exh…
We report on the fabrication of electrochemical double layer capacitor (EDLC) electrodes with aligned carbon nanotubes (CNTs) grown directly on conductive substrates using an air assisted chemical vapor deposition technique. The fabricated EDLCs showed very small equivalent series resistances (approximately few hundre…
Our aim was to develop a biodegradable fibrous dressing to act as a tissue guide for in situ wound repair while releasing Ibuprofen to reduce inflammation in wounds and reduce pain for patients on dressing changes. Dissolving the acid form of Ibuprofen (from 1% to 10% by weight) in the same solvent as 75% polylactide,…
The research is aimed to investigate the mechanical behaviors of epoxy-based nanocomposites reinforced with spherical nanoparticles. Five different contents of silica nanoparticles — 5, 10, 15, 20, and 40 wt% — were introduced in the samples. Through a sol—gel technique, the silica particles with a diameter of 25 nm w…
Different types of polyelectrolyte multilayer films composed of poly(L-lysine)/hyaluronan (PLL/HA), chitosan/hyaluronan (CHI/HA) and poly(allylamine hydrochloride)/poly(L-glutamic acid) (PAH/PGA) have been investigated for their internal composition, including water content, ion pairing, and ability to be covalently c…
Nanocomposition of molecular crystal ammonia borane (AB) by embedding it in mesoporous silica leads to a remarkable enhancement of the hydrogen storage properties. To investigate the nature of a nanophase AB, we used atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data to follo…
The electronic structure of lanthanide and actinide compounds is often characterized by orbital ordering of localized $f$-electrons. Density-functional theory (DFT) studies of such systems using the currently available LDA+$U$ method are plagued by significant orbital-dependent self-interaction, leading to erroneous o…
We have performed simulations to study how increasing humidity affects the structure of Nafion-like ionomers under conditions of low sulfonate concentration and low humidity. At the onset of membrane hydration, the clusters split into smaller parts. These subsequently swell, but then maintain constant the number of su…
In this paper, we study how the distribution of net charges in carbon nanotubes can be influenced by substrate and external electric fields, using theoretical calculations based on an extension of the atomic charge-dipole model. We find that the charge enhancement becomes less significant when the tube gets closer to…
A green-emitting phosphor, Eu2+-activated NaCaPO4, was synthesized by the conventional solid-state reaction. The photoluminescence excitation and emission spectra, and the temperature dependence of luminescence intensity of the phosphor were investigated. The results showed that NaCaPO4 : Eu2+ could be efficiently exc…
By optimizing glass composition and using a multistage dehydration process, a ternary 80TeO(2)-10ZnO-10Na(2)O glass is obtained that shows excellent transparency in the wavelength range from 0.38 microm up to 6.10 microm. Based on this optimized composition, we report on the fabrication of a single-mode solid-core tel…
We present first-principles, density-functional theory calculations of the NMR chemical shifts for polycyclic aromatic hydrocarbons, starting with benzene and increasing sizes up to the one- and two-dimensional infinite limits of graphene ribbons and sheets. Our calculations are performed using a combination of the re…
A molten carbonate fuel cell (MCFC) is an electro-chemical energy conversion technology that runs on natural gas and employs a molten salt electrolyte. In order to keep the electrolyte in this state, the cell must be kept at a temperature above 500 C, eliminating the need for precious metals as the catalyst. There has…
We use the general statement of the second law applied to an isolated system, the glass in an extremely large medium, to prove that the entropy of the glass must decrease with time during its relaxation towards the supercooled liquid state. This result contradicts the claim of Mauro et al and their computational resul…
Electronic structure calculations using the augmented spherical wave method have been performed for ${\text{CuRhO}}_{2}$. For this semiconductor crystallizing in the delafossite structure, it is found that the valence-band maximum is mainly due to the $4d$ ${t}_{2g}$ orbitals of ${\text{Rh}}^{3+}$. The structural char…