Materials Literature
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We study the origin of the structure in the spin-polarized electron energy loss spectroscopy (SPEELS) spectra of ferromagnetic crystals. Our study is based on a 3d tight-binding Fe model, with constant onsite Coulomb repulsion U between electrons of opposite spin. We find it is not the total density of Stoner states a…
Molecular dynamics and morphology in the blends of a network-forming reactive polymer and an amphiphilic block copolymer were examined as a function of the advancement of chemical reactions. In the blends containing a triblock copolymer, both microscopic (domains of the order of micrometers) and nanoscopic (domains of…
We have melt quenched a series of Ga substituted Bi 2- x Ga x Sr 2 Ca 2 Cu 3 O 10+ y samples with the compositions with x = 0.2, 0.4, 0.6, 0.8 and 1.0. Microstructure, thermal properties including crystallization activation energy, magnetic and superconducting properties were investigated. We have found that Ga 3+ ion…
The crystal structure of SULT2A3 human hydroxysteroid sulfotransferase has been solved at 2.4 A resolution in the presence of 3'-phosphoadenosine 5'-phosphate (PAP). The overall structure is similar to those of SULT1 enzymes such as estrogen sulfotransferase and the PAP binding site is conserved, however, significant…
A statistical procedure is proposed for estimating realistic confidence intervals for the activation energy determined by using an advanced isoconversional method. Nine sets of five thermogravimetric measurements have been produced for the process of gassification of ammonium nitrate at five different heating rates. I…
Simulations show that when low-volume fractions of nanoscale rods are immersed in a binary, phase-separating blend, the rods self-assemble into needle-like, percolating networks. The interconnected network arises through the dynamic interplay of phase-separation between the fluids, through preferential adsorption of t…
We present hard X-ray and neutron diffraction measurements on the polar fluorocarbons HCF3 and H3CF under supercritical conditions and for a range of molecular densities spanning about a factor of ten. The Levesque-Weiss-Reatto inversion scheme has been used to deduce the site-site potentials underlying the measured p…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSurface Chemistry of Prototypical Bulk II−VI and III−V Semiconductors and Implications for Chemical SensingFazila Seker, Kathleen Meeker, Thomas F. Kuech, and Arthur B. EllisView Author Information Departments of Chemistry and Chemical Engineering, University of WisconsinMad…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTCondensation Model for Cylindrical Nanopores Applied to Realistic Porous Glass Generated by Molecular SimulationHideki Kanda, Minoru Miyahara, and Ko HigashitaniView Author Information Department of Chemical Engineering, Kyoto University, Kyoto 606-8501, Japan Cite this: Langmu…
The miscibility, spherulite growth kinetics, and morphology of binary blends of poly(β-hydroxybutyrate) (PHB) and poly(methyl acrylate) (PMA) were studied with differential scanning calorimetry, optical microscopy, and small-angle X-ray scattering (SAXS). As the PMA content increases in the blends, the glass-transitio…
A high coordination lattice model for simulating coarse-grained rotational isomeric state (RIS) chains has been under development recently. Initially, the model was developed for chains with symmetric torsional potential energy functions, E(φ)=−E(φ). A single-bead move Monte Carlo algorithm was used and found to be ef…
An experimental study of the glass transition of meta-toluidine combining several light scattering techniques was performed. The structural relaxation time is measured in depolarized geometry from the glass transition temperature up to well above the melting point and found to vary over 13 time decades. An analysis by…
We have investigated the ability of a simple phenomenological theory to describe the behavior of symmetric diblock copolymer thin films confined between two hard surfaces. Prior knowledge of the morphology in the confined films is crucial for applying this theory to predict the phase diagram of such systems. Taking ad…
In environmental catalysis the destruction or removal of nitrogen oxides (DeNOx process) is receiving a lot of attention. Synchrotron-based x-ray absorption near-edge spectroscopy, high-resolution photoemission, and first-principles density-functional calculations (DFT-GGA) were used to study the interaction of nitrog…
Mercury(II)-modified carbon nanotubes can be readily prepared by reacting purified/oxidized carbon nanotubes (CNTs) with a Hg(NO 3 ) 2 aqueous solution. Two types of surface-confined Hg(II) species are formed and have been identified as (CNT-COO) 2 Hg II and (CNT-O) 2 Hg II . These two complexes have a surface concent…
Reactive epoxide groups can be directly fixed onto solid surfaces by pulsed plasma polymerization of glycidyl methacrylate. These functionalized substrates are ideally suited for subsequent derivatization chemistries utilizing nucleophilic reagents, and also adhesion promotion.
The ability of non-hydrocarbon fuels such as CO and H 2 to reduce nitric oxide under conditions relevant for the reburning process is investigated experimentally and theoretically. Flow reactor experiments on reduction of NO by CO and H 2 are conducted under fuel-rich conditions, covering temperatures of 1200−1800 K a…
The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy exhibits a nonsymmetric rebonded atomic configuration with a charge transfer level 0.7…
Catalytic water formation from adsorbed H and O adatoms is a fundamental reaction step in a variety of technologically important reactions involving organic molecules. In particular, the water-formation rate determines the selectivity of the catalytic partial oxidation of methane to syngas. In this report we present a…
The partial structure factors (PSF) of molten ZnCl2 are known since 1981 due to the neutron diffraction experiments by Biggin and Enderby. It is shown in this article that the set of PSF derived from this experiment is not consistent with new XRD data with much better statistical accuracy. A new set of PSF is derived…