Materials Literature
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We present results of first-principles density functional calculations for the candidate multiferroic magnetoelectric, bismuth chromite. Although little is known experimentally about BiCrO 3, its chemical neighbors BiMnO 3 and BiFeO 3 are known to be ferromagnetic and ferroelectric respectively, with structural distor…
The phase behavior of a melt of monodisperse rod−coil diblocks is studied. We derive a Landau free energy functional for both a compositional and a nematic order parameter. The excluded volume interaction between the rod blocks is modeled by an attractive Maier−Saupe interaction. The incompatibility between rod and co…
In this report, a novel method for the synthesis of gold nanoparticles on an amorphous silica support is described wherein silanol groups on the surface of the fumed silica spontaneously reduce aqueous chloroaurate ions. This results in the formation of gold nanoparticles that are bound fairly strongly to the fumed si…
Surface modifying macromolecules (SMM) were synthesized and blended into the casting solution of poly(ether sulfone). The solution was cast to films with thickness of 0.12 and 0.24 mm. The cast films were placed in an oven with forced air circulation for periods of 3, 5, 7, and 2000 min to remove the solvent, before b…
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized augmented plane-wave method within both the LSD and the LSD+U schemes. The thirteen uppermost occupied s…
Rotated ripple structures (RRS) on sputter eroded surfaces are potential candidates for nanoscale wire fabrication. We show that the necessary condition for RRS formation is that the width of the collision cascade in the longitudinal direction has to be larger than that in the transverse direction, which can be achiev…
Using molecular dynamics simulations, we study dynamics of a model polymer melt composed of short chains with bead number N=10 in supercooled states. In quiescent conditions, the stress relaxation function $G(t)$ is calculated, which exhibits a stretched exponential relaxation on the time scale of the $α$ relaxation t…
Biodegradable aliphatic polyesters (BAPs), synthesized from diols and dicarboxylic acids, and organophilic montmorillonite (OMMT) were intercalated by a solvent-casting method using chloroform as a cosolvent to produce nanocomposite (BAP/OMMT). The d spacings of both BAP and BAP/OMMT were examined by X-ray diffraction…
New polylactide (PLA)/layered silicate nanocomposites have been prepared successfully by simple melt extrusion of PLA and organically modified montmorillonite. The d spacings of both the organically modified montmorillonite and intercalated nanocomposites were investigated by wide-angle X-ray diffraction (WAXD) analys…
The nucleation and growth of colloidal CdSe nanocrystals with a variety of elongated shapes were explored in detail. The critical size nuclei for the system were magic sized nanoclusters, which possessed a sharp and dominated absorption peak at 349 nm. The formation of the unique magic sized nuclei in a broad monomer…
Abstract Irradiation of aluminium covered by anodic oxide films 3–14 nm thick using 100 keV H + ions is shown to result in detachment of the oxide film. A dose of 6.6 × 10 16 H + ions cm −2 on a 6.5 nm thick film causes the removal of large pieces of oxide with dimensions at least 15 µm. Atomic force microscopy analys…
GaAs(100) layers grown by low-temperature (LT) molecular beam epitaxy were studied by means of valence-band and core-level photoelectron spectroscopy. Small differences were found between valence-band spectra from the LT layers and corresponding layers grown at high temperature. In the Ga $3d$ spectra a new component…
Abstract 2‐Bromo‐4‐nitropyridine N ‐oxide is orthorhombic, space group Pbca , with eight molecules per unit cell of dimensions a = 5.979(1), b = 9.899(1), c = 23.249(5) Å. The Br ion is nearly coplanar with the pyridine ring, while the two oxygen atoms of the nitro group are displaced above and below the ring by (−0.2…
The proton paramagnetic relaxation enhancement (PRE) in an aqueous solution of nickel(II) is described in terms of electron spin relaxation caused by damped vibrational motions of Eg and T2g symmetry. The damped vibrations generate a transient zero-field splitting (ZFS), of variable amplitude and variable principal di…
This paper reports the synthesis of a new one-dimensional phase, NaNb 2 PS 10, which is found to be soluble in polar organic solvents such as N -methylformamide (NMF) or dimethylformamide (DMF). Small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) studies have revealed that these covalent pol…
UV−vis spectra of 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin (TCPP) have been studied in dilute (1.0 μM) aqueous solution at pH 7.0 as a function of added electrolytes, including phosphate buffer, methyl viologen dichloride (MV), and propyl viologen sulfonate (PVS). At concentrations ≤1.0 μM and pH ≥ 7.0, TCPP is c…
Crossing nanotubes were investigated using scanning tunneling microscopy (STM) and spectroscopy. From the analysis of the measured mechanical deformation of the nanotubes, the contact force between the nanotubes is estimated to be 1 nN. Spectroscopy measurements showed two effects on the electronic structure: (i) band…
A two-dimensional copper(II)–radical complex [Cu(NITmPy)2(N3)2]n (NITmPy = 2-(3′-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been prepared and characterized by X-ray crystallography. The crystal structure consists of neutral polymeric sheets in which each copper atom is bridged by the oxygen and nitrog…
Silica polymerisation activation and structure templating using arginine-based surfactants led to bio-inspired multi-scale porous materials.
A novel molecular-based magnet of three-dimensional (3-D) cyanide-bridged bimetallic assembly, {[Cu(en)2]3[W(CN)8]2·H2O}∞ (1), where en = ethylenediamine, was synthesized and structurally characterized. The assembly has a three-dimensional network structure extended by three kinds of CuII–NC–WV–CN–CuII linkages with v…