Materials Literature
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In this study, we quantitatively investigated the temperature-dependent phase transition behaviors of thin films of an interesting amphiphilic diblock copolymer, poly(ethylene oxide)-b-poly(11-[4-(4-butylphenylazo)phenoxy]undecyl methacrylate) (p(EO)-b-p(MAAZ)) and the resulting morphological structures by using synch…
In this paper, a model-based optimal strategy is presented for the control of particle size in antisolvent crystallization. Size is controlled on demand by dynamic optimization using a population balance based model. Knowledge of the ternary solute–solvent-antisolvent equilibrium and crystallization kinetics is crucia…
Although a great deal is known about the interaction between water and rhyolitic glasses and melts at temperatures above the glass transition, the nature of this interaction at lower temperatures is much more obscure. Comparisons between high- and low-temperature diffusion studies suggest that several factors play imp…
An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of Evjen's method. It takes advantage of a general analysis of the potential convergence in real space. Indeed, we show that the series convergence is exponential as a functio…
The role of Mg in soda-lime glasses was elucidated by classical molecular dynamics (MD) simulations. The effect of the replacement of CaO for MgO on the structure, transport, and elastic properties of a series of glasses with compositions 15Na 2 O·(10 − x )CaO· x MgO·75SiO 2 ( x = 0, 5, and 10 mol) was studied. Differ…
Continued growth of a single-walled carbon nanotube (SWNT) on an Fe cluster at 1500 K is demonstrated using quantum chemical molecular dynamics simulations based on the self-consistent-charge density-functional tight-binding (SCC-DFTB) method. In order to deal with charge transfer between carbon and metal particles an…
We for the first time report the synthesis of urchinlike BiPO 4 structure composed of nanorods and its photoluminescence properties. Scanning electron microscopy (SEM) images show urchinlike BiPO 4 structure composed of nanorods. The X-ray powder diffraction (XRD) pattern indicates that the crystal structure of the na…
An important consequence of the discovery of giant magnetoresistance in metallic magnetic multilayers is a broad interest in spin dependent effects in electronic transport through magnetic nanostructures. An example of such systems are tunnel junctions -- single-barrier planar junctions or more complex ones. In this r…
The effects of cation solvation and the volume change (Delta V) of reaction on the equilibrium and the morphology change in the cation-exchange reactions of metal chalcogenide nanocrystals, CdE --> M(x)E(y) (E = S, Se, Te; M = Pd, Pt), were investigated. Since the solvation of cations is an important controllable fact…
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized ground state, where opposite spins are localized at the two zigzag edges in a lon…
Pre-edge features in X-ray absorption spectroscopy contain key information about the lowest excited states and thus on the most interesting physical properties of the system. In transition metal oxides they are particularly structured but extracting physical parameters by comparison with a calculation is not easy due…
We study edge state magnetism in graphene nanostructures using a mean field theory of the Hubbard model. We investigate how the magnetism of the zigzag edges of graphene is affected by the presence of other types of terminating edges and defects. By a detailed study of both regular shapes, such as polygonal nanodots a…
Nanobiointerfaces were prepared based on an electrically conductive polyethylenedioxythiophene (PEDOT). Thin (<100 nm), ultrasmooth (roughness ( R(rms)) < 5 nm), and functionalized PEDOT films have been successfully electropolymerized using aqueous microemulsion. The microemulsion polymerization is found to be catalyz…
Adsorption of 17alpha-ethinyl estradiol (EE2) and bisphenol A (BPA) on carbon nanomaterials (CNMs) was investigated. Single point adsorption coefficients (K) showed significant relationship with specific surface areas of CNMs for both chemicals, indicating surface area is a major factor for EDC adsorption on CNMs. BPA…
Green's matrix method as well as the newly defined resonance capacity of surface plasmon are presented and applied to select the strong resonances for arbitrary shaped subwavelength metallic structures. The resonance capacity distributions for a certain structure type make it possible to tailor the metallic resonant p…
Polycrystalline AlNbO4 with VO2(B) structure is synthesized with crystallite sizes in the micrometer as well as nanometer regime. Insertion of 2 Li in nanocrystalline AlNbO4 is achieved, for the first time, at RT. The Li insertion/extraction is reversible, suggesting retention of structural integrity during the proces…
The third-order nonlinear optical properties of two solutions of gold nanoparticles protected by carbazolyldiacetylene derivatives were investigated using the Z-scan technique. Both gold nanoparticle colloid solutions in toluene show unusual fluorescent enhancement and large third-order nonlinear optical properties in…
We present a new terthiophene derivative substituted at the thienyl beta positions with a naphthalenediimide functionalization. The UV-vis absorption and emission spectroscopic properties as well as the electrochemical properties have been discussed to describe its electronic structure. The vibrational Raman data are…
1,3-Dimesityl-propane-1,3-dione was synthesized in high yield, via a stable intermediate (its aluminum complex) from malonyl dichloride and mesitylene by Friedel–Crafts reaction using anhydrous aluminum chloride as catalyst. The intermediate aluminum complex was isolated and characterized by X-ray diffraction analysis…
We present a comprehensive de Haas-van Alphen study on the nonmagnetic borocarbide superconductor LuNi2B2C. The analysis of the angular-dependent effective masses for different bands in combination with full-potential density functional calculations allowed us to determine the mass-enhancement factors, lambda, for the…