Materials Literature
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The electronic structure of ultra-small Au clusters on thin MgO/Ag(001) films has been analyzed by scanning tunneling spectroscopy and density functional theory. The clusters exhibit two-dimensional (2D) quantum well states, whose shapes resemble the eigen-states of a 2D electron gas confined in a parabolic potential.…
The chiral nonaazamacrocyclic amine L, which is a reduction product of the 3 + 3 Schiff base macrocycle, wraps around the lanthanide(III) ions to form enantiopure helical complexes. These Ce(III), Pr(III), Nd(III), Eu(III), Gd(III), Tb(III), Er(III), Yb(III) and Lu(III) complexes have been isolated in enantiopure form…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTSAXS Analysis of the Order−Disorder Transition and the Interaction Parameter of Polystyrene-block-poly(methyl methacrylate)Yue Zhao†‡, Easan Sivaniah§, and Takeji Hashimoto*†‡View Author Information Advanced Science Research Center (ASRC), Japan Atomic Energy Agency (JAEA), Tok…
Color-tunable phosphors of BaY2−xEuxZnO5 (x=0.001–0.9) were synthesized using a vibrating milled solid state reaction. The results indicate that the emission spectra of BaY2−xEuxZnO5 samples excited at 395 nm exhibit a series of shaped peaks assigned to the D50→F7J (J=0,1,2,3,4) transitions. Luminescence from the high…
Abstract Knowledge of the glass transition temperatures ( T g s) as function of composition reflects miscibility (or lack of it) and is decisive for virtually all properties of polymer‐based materials. In this article, we analyze single blend‐average and effective T g s of miscible polymer blends in full concentration…
Highly efficient photocatalytically active TiO2-coated polymer fibers are prepared using a facile and universal method involving layer-by-layer assembly of TiO2 nanoparticles and POSS molecules on various electrospun fibers. The TiO2-coated fibers display excellent photocatalytic properties in degradation of allyl alc…
The interface and electronic structure of thin (~20-74 nm) Co3O4(110) epitaxial films grown by oxygen-assisted molecular beam epitaxy on MgAl2O4(110) single crystal substrates have been investigated by means of real and reciprocal space techniques. As-grown film surfaces are found to be relatively disordered and exhib…
We present a study of the thermopower $S$ and the dimensionless figure of merit $ZT$ in molecules sandwiched between gold electrodes. We show that for molecules with side groups, the shape of the transmission coefficient can be dramatically modified by Fano resonances near the Fermi energy, which can be tuned to produ…
We detected broadband coherent terahertz emission from multiferroic BiFeO3 after illuminating a high-quality bulk single ferroelectric domain crystal with an ∼100 fs optical pulse. The dependence of the emitted terahertz waveform on the energy and polarization of the optical pulse is consistent with the optical rectif…
DNA is an ideal candidate to organize matter on the nanoscale, primarily due to the specificity and complexity of DNA based interactions. Recent advances in this direction include the self-assembly of colloidal crystals using DNA grafted particles. In this article we theoretically study the self-assembly of DNA-caged…
To optimize (19)F MR tracking of stem cells, we compared cellular internalization of cationic and anionic perfluoro-15-crown-5-ether (PFCE) nanoparticles using cell culture plates with different surface coatings. The viability and proliferation of anionic and cationic PFCE-labeled neural stem cells (NSCs) did not diff…
We investigate the development of superconductivity in graphene when the Fermi level becomes close to one of the Van Hove singularities of the electron system. The origin of the pairing instability lies in the strong anisotropy of the $e\text{\ensuremath{-}}e$ scattering at the Van Hove filling, which leads to a chann…
A computational study of morphological instabilities of a two-dimensional nematic front under directional growth was performed using a Landau-de Gennes type quadrupolar tensor order parameter model for the first-order isotropic/nematic transition of 5CB (pentyl-cyanobiphenyl). A previously derived energy balance, taki…
Here we report the hydrothermal synthesis of octahedral gold nanocrystals from an aqueous solution of HAuCl 4, trisodium citrate, and cetyltrimethylammonium bromide (CTAB) surfactant. By heating the mixture at 110 °C for 6, 12, 24, 48, and 72 h, gold octahedra with approximate average sizes of 30, 60, 90, 120, and 150…
N-Acetyl-L-cysteine (NAC) is an antioxidant and anti-inflammatory agent with significant potential in clinical applications including stroke and neuroinflammation. The drug shows high plasma binding upon IV administration, requiring high doses and associated side effects. Through the use of an appropriate delivery veh…
We propose an ab initio method to evaluate the core-valence-valence (CVV) Auger spectrum of systems with filled valence bands. The method is based on the Cini-Sawatzky theory, and aims at estimating the parameters by first-principles calculations in the framework of density-functional theory (DFT). Photoemission energ…
The numerical calculations of the standard Eliashberg-Nambu strong coupling theory and a formula of isotope effect derived in this paper provide direct evidences that an-harmonic vibrations of lattice enhance isotope effect with anomalous coefficient $α>1/2$. The results in this paper explain very well the wide distri…
Catenanes and rotaxanes containing porphyrin subunits have become popular synthetic targets because of the large variety of available synthetic strategies including the coordination chemistry of metallated porphyrins, coupled with the many attractive physical properties of porphyrins. This tutorial review outlines var…
In this article, we present coarse-grained potentials of ethylbenzene developed at 298 K and of amorphous polystyrene developed at 500 K by the pressure-corrected iterative Boltzmann inversion method. The potentials are optimized against the fully atomistic simulations until the radial distribution functions generated…
Current developments in nanotechnology offer new tools to the design of nanometric heat-generating 'foci' that can be activated remotely by an external alternating magnetic field. These nanometric heat sources may serve for therapeutic hyperthermia alone or combined with other therapeutic modalities, such as drug deli…