Materials Literature
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Size exclusion chromatography (SEC) is shown to be an effective method to characterize single-wall carbon nanotube (SWNT) dispersions. SEC separates nanotube dispersions by size, and an on-line viscosity detector gives intrinsic viscosity as a function of hydrodynamic size, as is determined by universal calibration. T…
The electronic and optical properties have been calculated for monoclinic ${\mathrm{La}}_{2}\mathrm{Ca}{\mathrm{B}}_{10}{\mathrm{O}}_{19}$ (LCB) crystal using the state-of-the-art full potential linear augmented plane wave method. We present results for the band structure, density of states, birefringence, imaginary a…
A novel "anisotropic aggregation" model is proposed to simulate nucleation and growth of polymer single crystals as functions of temperature and polymer concentration in dilute solutions. Prefolded chains in a dilute solution are assumed to aggregate at a seed nucleus with an anisotropic interaction by a reversible ad…
The liquid crystalline properties and optical anisotropy of poly(diphenylacetylene) bearing an n -octadecylsilane moiety in the side chain, poly(1-phenyl-2- p -{dimethyl- n -octadecylsilylphenyl}acetylene) (C18-PDPA), were investigated in detail. C18-PDPA exhibited unexpected smectic phase liquid crystallinity in high…
We have used computer modeling techniques to investigate the interaction of Cu, Ag, and Au atoms (at 0.25 ML coverage) with the (111) surface of zirconia, ZrO 2 . The surface was simulated by means of periodic slabs, and the calculations were performed using spin-polarized density functional theory (DFT) within the ge…
The aim of this work was to explore how various surface treatments would change the dispersion component of surface energy and acid-base character of hemp nanofibers, using inverse gas chromatography (IGC), and to investigate the effect of the incorporation of these modified nanofibers into a biopolymer matrix on the…
Fluorene-based poly(ether−ether−ketone) (F-PEEK) was designed and synthesized by reacting a 9,9-diarylfluorene-containing biphenol and a naphthalene-containing dihaloarene. High molecular weight F-PEEK ( M w > 270 000; M n ∼ 55 000) was obtained in quantitative yields by the two-step polycondensation of 9,9-bis(4-hydr…
This article describes the synthesis of barium ferrite nanoparticles at low crystallization temperatures using a sodium citrate-aided process. Monodispersed barium ferrite amorphous nanoparticles were synthesized by the formation of metal−citrate complexes at pH 10, followed by hydrolysis at 100 °C. The mean particle…
On the phase of it: The phase selection of calcium carbonate (spheres: C gray, Ca green, O red) is determined by chiral amino acids (stick models) present during the crystallization. The interplay of composition and chirality of the crystal surfaces and additives leads to enantiospecific adsorption of the D and L amin…
To rationally design and explore a potential energy source based on the highly exothermic oxidation of boron, density functional theory (DFT) was used to characterize small boron clusters with 0-3 oxygen atoms and a total of up to ten atoms. The structures, vibrational frequencies, and stabilities were calculated for…
The equation of state of cubic boron nitride (cBN) has been determined to a maximum temperature of $3300\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ at a simultaneous static pressure of up to more than $70\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. Ab initio calculations to $80\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ and $200…
The one-pot synthesis of a new anionic polyelectrolytic macroinitiator based on esterification of a poly(glycerol monomethacrylate) precursor is described. Electrostatic adsorption of this macroinitiator onto an aminated (cationic) planar substrate is monitored by dual polarization interferometry. Controlled surface-i…
The paper presents a new synthesis route for the formation of spherical-shaped CdTe semiconductor nanocrystal quantum dots (NQDs) using colloidal solutions with oleic acid and trioctylphosphine stabilizers. The synthesis includes the occurrence of in situ precipitation of crystalline Cd 0 nanoparticles prior to the fo…
Poly(glycerol sebacate) (PGS) is a biodegradable and biocompatible elastomer specifically developed for soft tissue engineering. Vascular cells adhered to an elastomer may exhibit more physiological behavior because the substrate's mechanical properties more closely match those of the tissue. To investigate the feasib…
Molecular dynamics (MD) simulations in combination with an atomistic path technique are used to examine energies required to impinge a screw dislocation on a coherent twin boundary (CTB) in Al and Cu. At large distances, we find that the dislocation-CTB interaction is characterized by repulsive forces which can be att…
The photocatalytic properties of the conjugated polymers have been investigated for the first time. Degradation of various textile dyes such as Alizarin S, Alizarin G, Orange G, and Remazol brilliant blue were studied under UV radiation. The experimental data indicated that the photocatalytic activity of the conjugate…
Poly(methyl methacrylate) (PMMA)−C 60 nanocomposites, with compositions in the range 0 ≤ φ C60 wt ≤ 0.05, are shown to exhibit systematic increases in dynamic shear moduli, in glass transition temperature ( T g ), and in the longest relaxation time of the polymer (τ R ) with increasing fullerene concentration. We show…
The nanoscroll-to-nanotube thermal transformation was studied for H 4 Nb 6 O 17 ·4.4H 2 O scrolls, prepared by exfoliation of K 4 Nb 6 O 17 . Thermal dehydration of the scrolls produces Nb 2 O 5 nanotubes at 400−450 °C. The nontopochemical transformation results in polycrystalline nanotubes; however, significant textu…
To understand why lotus leaf surfaces have a two-scale structure, we explore in this paper two stability mechanisms. One is the stability of the Cassie-Baxter wetting mode that generates the superhydrophobicity. A recent quantitative study (Zheng et al., Langmuir 2005, 21, 12207) showed that the larger the slenderness…
Uniform LnPO(4).x H(2)O (Ln=Y, La-Nd, Sm-Lu) nanocrystals that have controllable 0D (spherelike), 1D (rodlike), and 2D (polygonlike) structures have been systematically synthesized by means of a hydrothermal method by using a mixed solvent of water and ethanol. Transmission electron microscopy images and SEAD (selecte…