Materials Literature
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Defining a force field for the theoretical predictions of the structure and growth of pharmaceutical crystals is very difficult because of the complex intermolecular bonding found in these crystals. Here, we investigate the accuracy of the AMBER ff03 force field for alpha-glycine molecules using molecular dynamics. Th…
We report the formation of hollow GaN spheres using silica sphere templates. First, silica spheres with an average diameter of ∼130 nm were synthesized. A mixture of GaCl 3, silica spheres, water, and urea in 2-propanol was prepared and heated to 100 °C for 24 h to generate silica spheres with γ-Ga 2 O 3 nanoparticle…
Undoped and doped zinc oxide (ZnO) nanowires were synthesized by decomposing metal salts in trioctylamine at 300°C. By adding metal salts during the formation of the wires, effective incorporation of Ga and Al up to 5% was achieved, as measured by energy-dispersive x-ray spectroscopy and Auger electron spectroscopy. N…
An optical fiber bundle composed of ∼6000 individual 3 μm core diameter fibers has been chemically etched to form a regular array of sharp tips, resulting in the confinement of the light reaching the tip apexes of the fibers as demonstrated by near-field optical microscopy. After coating this nanostructure with a gold…
The novel polyanions [Ln(2)(H(2)O)(10)W(22)O(71)(OH)(2)](8-) (Ln = La (1), Ce (2), Tb (3), Dy (4), Ho (5), Er (6), Tm (7), Yb (8), Lu (9), Y (10)) have been synthesized by reaction of WO(4)(2-) and lanthanide ions in acidic aqueous medium. The low symmetry (C(i)) polyanion family [Ln(2)(H(2)O)(10)W(22)O(71)(OH)(2)](8-…
Following a detailed literature survey on the fracture-mechanics properties of solid rocket propellants, this paper reports on an innovative set of fracture tests performed on a composite solid propellant based on ammonium perchlorate hydroxyl-terminated polybutadiene. After a short summary on standard linear–viscoela…
The synthesis of nanocrystalline solid solutions of general formula Ce x Zr 1− x O 2 ( x = 0.1, 0.25, 0.5, 0.75, and 0.9) using a citrate complexation technique was followed with thermochemical methods, and the resulting powders were characterized using X-ray diffraction (XRD) and electron microscopy (scanning electro…
We have performed molecular dynamics computer simulations of a dense Lennard-Jones liquid mixture to study dynamic heterogeneity from normal liquid temperatures down to a supercooled temperature 15% above the previously identified mode-coupling temperature Tc of the model. A temperature-dependent correlation length as…
UV-responsive microcapsules consisting of polyelectrolyte multilayers, lipid bilayers, and SiO2−TiO2 with tunable release characteristics were fabricated by layer-by-layer assembly and sol−gel methods. Dye molecules were loaded by exploiting the temperature dependence of the permeability of the lipid bilayer membrane.…
Selective ligands to the peripheral benzodiazepine receptor (PBR) may induce apoptosis and cell cycle arrest. An overexpression of PBR in certain cancers allowed us to consider the use of highly selective ligands to PBR for receptor-mediated drug targeting to tumors. With this in mind, we prepared PBR-targeted nanopar…
The nacre of gastropod molluscs is intriguingly stacked in towers. It is covered by a surface membrane, which protects the growing nacre surface from damage when the animal withdraws into its shell. The surface membrane is supplied by vesicles that adhere to it on its mantle side and secretes interlamellar membranes f…
The structure of binary ${\text{As}}_{x}{\text{S}}_{1\ensuremath{-}x}$ glasses is elucidated using modulated differential scanning calorimetry, Raman scattering, IR reflectance, and molar volume experiments over a wide range $(8%<x<41%)$ of compositions. We observe a reversibility window in the calorimetric expe…
Colloidal ZnO nanoparticles were synthesized by the sol−gel method and were characterized by UV−visible spectroscopy and photoluminescence spectroscopy. The effect of ZnO nanoparticles on the luminol−H 2 O 2 chemiluminescence (CL) system, a popular model CL system, was investigated. It was found that ZnO nanoparticles…
Electronic and magnetic properties of alkali and alkaline-earth metal doped graphene nanoribbons (GNRs) are studied by the pseudopotential density functional method. Strong site dependence is observed in metal adsorption on GNRs, and the adsorbed metal atoms are found to spontaneously form atomic chains in a particula…
Gold nanocubes, nanobranches, and nanospheres were prepared in high yields using a seeded growth method in the presence of cationic surfactants. The resultant Au nanostructures are encapsulated with a surfactant bilayer and positively charged. The nanocubes are single-crystalline and enclosed with low-index facets. Th…
Aggregate-free and well-dispersed gold nanoparticles were intercalated into the walls of mesoporous silica forming a nanoreactor demonstrating high catalytic activity for "green" alkane oxidation. The material is robust and can be recycled. The method may be developed to intercalate other metal or alloy nanoparticles…
Using first-principles plane-wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be modified by the defect-induced itinerant states. Structure optimization gives rise to significant reconstruction of atomic structure, which is in good agreement with transmission electron mi…
We study the interfacial behavior between the straight-chain alkyl surfactant sodium dodecyl sulfate (SDS) and single-walled carbon nanotubes (SWNTs) as a function of added electrolytes, including NaCl. We observe an increase in photoluminescence intensity and narrowing of spectral line widths with electrolyte additio…
We report the first observation of electrogenerated chemiluminescence (ECL) from PbS quantum dots (QDs). Different ECL intensities are observed for different ligands used to passivate the QDs, which indicates that ECL is sensitive to surface chemistry, with the potential to serve as a powerful probe of surface states…
The local-density and generalized gradient approximations (LDA and GGA) to density functional theory (DFT) exhibit incomplete error cancellation when energy differences are taken between chemically dissimilar systems. This energy inconsistency is manifested, e.g., in the tendency to underestimate the heat (enthalpy) o…