Materials Literature
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Trianionic corroles are readily oxidized, yet they are able to stabilize metals in high oxidation states. In an attempt to solve this apparent puzzle, we have estimated both metal d and corrole π orbital energies by analysis of well established experimental data. Although the corrole π orbitals are at higher energies…
Monte Carlo simulations have been employed to identify the morphologies of symmetrical AB diblock copolymer melts under the confinement of nanocylindrical tubes. The effects of (i) the incommensurability between the diameter of the tube and the lamellae period in the bulk and (ii) the preference of the tube surface fo…
We present the N-doping induced atomic-scale structural deformation in N-doped carbon nanotubes by using density functional theory calculations. For substitutional N-doped nanotube clusters, the N dopant with an excess electron lone pair exhibits the high negative charge, and the homogeneously distributed dopants enla…
Abstract Rubber composites containing multiwall carbon nanotubes are investigated. The results are compared with those obtained with conventional carbon black. In each case, the level of reinforcement is assessed from the mechanical and equilibrium swelling behavior. The state of dispersion is evaluated from transmiss…
The long and short of it: A regioselective enzyme-catalyzed acylation of the disaccharide trehalose generated a family of low-molecular-weight gelators with unprecedented properties. The selectivity of enzymatic catalysis enables direct control over gelation properties by simply varying the acyl-chain length to give g…
Solid helium (3He and 4He) in the hcp and fcc phases has been studied by path-integral Monte Carlo. Simulations were carried out in the isothermal-isobaric (NPT) ensemble at pressures up to 52 GPa. This allows one to study the temperature and pressure dependences of isotopic effects on the crystal volume and vibration…
Using water-assisted chemical vapor deposition, aligned CNT–ZnO (CNT: carbon nanotube) heterojunctions are formed on a Zn substrate. The aligned CNT heterojunctions with intimately connected ZnO particles/rods show interesting optoelectronic properties of practical significance. This cost-effective and efficient appro…
pH-induced hysteretic gating of track-etched polycarbonate membranes (TEPC) has been achieved by depositing layer-by-layer assembled polyelectrolyte multilayers comprising poly(allylamine hydrochloride) (PAH) and poly(sodium 4-styrenesulfonate) (PSS) at a high pH condition (pH > 9.0). Scanning electron microscopy and…
We use accurate first principles methods to study the network dynamics of hydrogenated amorphous silicon, including the motion of hydrogen. In addition to studies of atomic dynamics in the electronic ground state, we also adopt a simple procedure to track the H dynamics in light-excited states. Consistent with recent…
We propose an on-chip optical waveguide for Bose-Einstein condensates based on the evanescent light fields created by surface states of a photonic crystal. It is shown that the modal properties of these surface states can be tailored to confine the condensate at distances from the chip surface significantly longer tha…
We report the development of nanoprobes that exploit the surface-enhanced Raman scattering (SERS) from nonaggregated, hollow, gold nanospheres (HGNSs). The homogeneity of the HGNSs leads to a nearly 10-fold improvement in signal consistency over standard silver SERS substrates, which translates into a significant incr…
We use a phase-field model to study the effect of confinement on dendritic growth, in a pure material solidifying in an undercooled melt, and in the directional solidification of a dilute binary alloy. Specifically, we observe the effect of varying the vertical domain extent (δ) on tip selection, by quantifying the de…
We present a first-principles theory of the variation of magnetic anisotropy, K, with temperature, T, in metallic ferromagnets. It is based on relativistic electronic structure theory and calculation of magnetic torque. Thermally induced `local moment' magnetic fluctuations are described within the relativistic genera…
An energy-storage device consisting of polypyrrole (pPy) doped with indigo carmine (IC) and 2,2'-azinobis (3-ethylbenzothiazoline-6-sulfonate) (ABTS) has been fabricated. These redox-active conducting polymers (see figure) form the basis of a battery that depends on the faradaic reactions of the redox-active dopants,…
A very large drop in dielectric constant upon application of small magnetic fields is observed at room temperature for LuFe2O4 (see figure). Such behavior is unprecedented and indicates a strong coupling of spins and electric dipoles at room temperature. This behavior of LuFe2O4 is apparently related to its ferroelect…
Ferroelectric single–crystalline PbZr0.2Ti0.8O3 thin films, free from extended defects, are grown by pulsed laser deposition onto vicinal SrTiO3(001) single crystals. The PbZr0.2Ti0.8O3 films are strained and exhibit enhanced tetragonality, c/a ≈ 1.06. They have a remnant polarization, Pr ≈ 110 μC cm–2, dielectric con…
We report on the wettability properties of silicon surfaces, simultaneously structured on the micrometre-scale and the nanometre-scale by femtosecond (fs) laser irradiation to render silicon hydrophobic. By varying the laser fluence, it was possible to control the wetting properties of a silicon surface through a syst…
A novel PAMAM dendrimer-based nanoprobe for dual magnetic resonance and fluorescence imaging modalities was synthesized. Fluorescence studies revealed that Gd(III) complexation to the probe has no effect on the quantum yield; however, increases in the dye content resulted in partial quenching. The potential of the new…
We evaluated the o-nitrobenzyl platform for designing photolabile protecting groups with red-shifted absorption that could be photolyzed upon one- and two-photon excitation. Several synthetic pathways to build different conjugated o-nitrobenzyl backbones, as well as to vary the benzylic position, are reported. Relativ…
Ultrathin layers of the versatile spinel oxide NiFe2O4 can be conductive or insulating depending on the growth conditions. Conductive NiFe2O4 (NFO) electrodes are inserted into conventional magnetic tunnel junctions containing La2/3Sr1/3MnO3/SrTiO3 (LMSO/STO) bilayers, and insulating and ferrimagnetic NiFe2O4 layers a…