Materials Literature
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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.
Surface-grafted polymer assemblies with a gradient in molecular weight (MW) and/or grafting density (σ) are used to tune protein adsorption, which consequently governs cell adhesion. Increasing the surface coverage of the polymer by increasing the MW and/or σ results in a decrease in the amount of protein adsorbed, wh…
The experimentally observed large difference in the depths of hydrogen and helium clusters formed in tungsten still lacks a fundamental explanation. Using density functional theory calculations, molecular dynamics simulations, and kinetic Monte Carlo calculations, we show that the fundamental mechanism behind the diff…
The purpose of this paper is to fill the gap between the classical treatment of brittle fracture mechanics and the new idea of considering the crack evolution as a free discontinuity problem. Griffith and Irwin criterions of crack propagation are studied and transformed in order to be no longer dependent on any prescr…
The effective properties of piezoelectric laminates have been analyzed, based on the calculation of internal fields and making use of a simple matrix manipulation method. The results are expressed in a compact notation which is convenient for numerical implementation and at the same time suitable for further analytica…
Non-damped oscillations of the magnetization vector of a ferromagnetic system subject to a spin polarized current and an external magnetic field are studied theoretically by solving the Landau-Lifshitz-Gilbert equation. It is shown that the frequency and amplitude of such oscillations can be controlled by means of an…
We present an atomistic study of the strain field, the one-particle electronic spectrum and the oscillator strength of the fundamental optical transition in chemically disordered In$_{x}$Ga$_{1-x}$As pyramidal quantum dots (QDs). Interdiffusion across the interfaces of an originally ``pure'' InAs dot buried in a GaAs…
Nickel substitution at the cobalt site in NaxCoO2 induces a Metal Insulator Transition (MIT) and the temperature at which this occurs (TMIT) increases with Ni content. Low temperature far infrared measurements on polycrystalline samples of Na0.75CoO2 and Na0.75Co0.95Ni0.05O2 (TMIT = ~ 150K) were carried out to look fo…