Materials Literature
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Abstract DFT calculations indicate norcorrole (NCH 2 ), a 16π‐electron doubly contracted porphyrin, to be a promising synthetic target, especially when complexed to a small cation such as Ni II . The relative stability of norcorrole derivatives appears to reflect the fact that they are not antiaromatic, but should rat…
[reaction: see text] Two easy-to-synthesize polypyrrolic 2,5-diamidothiophene Schiff base macrocycles are reported, along with their anion binding properties as determined via UV-vis spectroscopic titrations carried out in dichloroethane. There is a striking difference between the interactions with anions of the two m…
Contrary to theoretical prediction that Cr-doped bulk ZnO is ferromagnetic, recent experiments on Cr-doped ZnO thin film reveal the coupling to be antiferromagnetic. Using first-principles calculations based on gradient corrected density functional theory, we show that a possible origin of this disagreement may be ass…
The rational design and synthesis of CdSe/CdTe/ZnTe (core-shell-shell) type-II quantum dots are reported. Their photophysical properties are investigated via the interband CdSe-->ZnTe emission and its associated relaxation dynamics. In comparison to the strong CdSe (core only) emission (lambda(max) approximately 550 n…
The scattering spectra of single gold, silver, and bimetallic gold-silver particles (both core-shell and alloyed) have been examined using dark-field microscopy. The results show that the plasmon resonances for the bimetallic particles are broader than those of the pure silver or pure gold particles. However, plots of…
The magnetic properties of two epitaxial ${\mathrm{Fe}}_{3}\mathrm{Si}∕\mathrm{Ga}\mathrm{As}(001)$ hybrid structures are studied using ferromagnetic resonance. The results from the angular dependence of the excited uniform mode enable a precise determination of the magnetic anisotropy fields in this ferromagnet/semic…
Activated carbon fibers derived from polyaramids exhibit an outstandingly homogeneous pore size distribution. Here, we review the work carried out on the porosity characteristics of carbons prepared from these polymers, specifically Kevlar [poly( p -phenylene terephthalamide)] and Nomex [poly( m -phenylene isophthalam…
Clarification of the nature of active Ti species has been a key challenge in developing Ti-doped NaAlH(4) as a potential hydrogen storage medium. Previously, it has been greatly hindered by the invisibility of Ti-containing species in conventional analysis techniques. In the present study, for the first time, the cata…
The segmental relaxation characteristics of UV cross-linked networks based on poly(ethylene glycol) diacrylate [PEGDA] copolymerized with either poly(ethylene glycol) methyl ether acrylate [PEGMEA] or poly(ethylene glycol) acrylate [PEGA] were investigated using dynamic mechanical analysis. The molecular weights of th…
Points of view: The nucleation points of single-walled carbon nanotubes (SWNTs) are visualized on the atomic scale. The atomic structure of both the catalysts and the SWNTs growing from them are seen by HRTEM (see Figure) for the first time. The growth pathway extracted from a TEM image sequence demonstrates a root me…
Facile one-pot reactions led to the formations of dinuclear [CuLn(hmp)2(NO3)3(H2O)2] (Ln = Tb (1.Tb), Gd (1.Gd), or La (1.La)), and trinuclear [Cu2Ln(mmi)4(NO3)(H2O)2](ClO4)(NO3).2H2O (Ln = Tb (2.Tb) or Gd (2.Gd)) and [Cu2La(mmi)4(NO3)2(H2O)](ClO4).2H2O (2.La) with polydentate ligands 2-(hydroxymethyl)-pyridine and 2-…
Well-defined inorganic–organic hybrid semiconductor nanobelts (see Figure) are produced by large-scale solvothermal synthesis through tuning the composition of a ternary solution composed of diethylenetriamine (DETA), hydrazine hydrate, and deionized water. A suitable amount of hydrazine hydrate is essential for the f…
The properties of a range of $3d$ transition metals and their complexes with hydrogen are studied using local-density-functional methods. The location of the impurity-related $3d$ bands strongly affects the electronic and magnetic properties of both substitutional and interstitial impurities, with high spins being pre…
Systems with nanoscopic features contain a high density of interfaces. Thermal transport in such systems can be governed by the resistance to heat transfer, the Kapitza resistance (RK), at the interface. Although soft interfaces, such as those between immiscible liquids or between a biomolecule and solvent, are ubiqui…
A two-dimensional dynamic model was created for a Siemens Westinghouse type tubular solid oxide fuel cell (SOFC). This SOFC model was integrated with simulation modules for other system components (e.g., reformer, combustion chamber, and dissipater) to comprise a system model that can simulate an integrated 25kw SOFC…
Abalone shell nacre proteins act as surfactants to promote ion attachment at calcite steps, causing acceleration of the molecular-scale kinetics of calcite crystal growth. The proteins modify the shape of growing calcite (see Figure) through step-specific interactions, even though the proteins are larger than the atom…
A heart of gold: The structure of the Au32− cluster has been elucidated by comparison of the results from photoelectron spectroscopy with those from theoretical calculations. Although DFT calculations suggest a high-symmetry hollow-cage structure (Ih, left) to be the lowest in energy at 0 K, the spectrum calculated fo…
In this work we carefully analyze the role of the microstructure on the magnetic properties of Co-doped ZnO nanoparticles prepared by the vaporization-condensation method in a solar reactor. We show that a close correlation exists between microstructural features and the appearance of ferromagnetism. Both shape and si…
We report on the electrical and magneto-transport properties of the contact formed between polycrystalline NiMnSb thin films grown using pulsed laser deposition (PLD) and n-type degenerate InSb (100) substrates. A negative giant magnetoresistance (GMR) effect is observed when the external magnetic field is parallel to…
Pseudo block copolymers with tunable micro- or macrophase-separated structures are created by introducing multiple hydrogen-bonding groups at the polymer ends (see Figure). The resulting materials are stabilized up to 80 °C above the glass-transition temperature (Tg) of the higher-Tg component.