Materials Literature
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This work investigates a scheme to rapidly remove liquid drops from a ceiling by vibrating the solid surface. We show that there exist resonant frequencies at which the minimum vibration amplitudes inducing a fall-off of the pendant drops are remarkably less than the detaching amplitudes at neighboring frequencies. Th…
Starting with crystalline silicon nanoparticles, which were produced by CO 2 laser pyrolysis of silane in a gas flow reactor, we have synthesized amorphous silica nanoparticles via oxidation. Upon excitation with UV light, the novel nanostructured material gives rise to an intense red photoluminescence (PL) which rese…
Monodisperse SiO2 particles of nanometer dimensions were fabricated by membrane emulsification using ideally ordered anodic porous alumina. For the preparation of monodisperse emulsion droplets, the dispersed phase was pressed through a porous alumina membrane into the continuous phase. After solidification treatment…
CdTe nanowires with bristled SiO 2 coatings resembling nanoscale centipedes were produced in a modified Stöber process when mercaptosuccinic acid was used as a stabilizer. The reason for the unusual morphology of the coating is believed to be the nonuniform distribution of the stabilizers on the surface of the nanowir…
First-principles calculations for tetragonal zirconia are presented. The stability of the terminations is investigated for different setups (symmetrically or asymmetrically terminated or metal supported) and as function of the film thickness. Several aspects, which are of importance for polar surfaces, are discussed o…
Low-energy loss spectra (LELS) from electron energy loss spectroscopy (EELS) in a transmission electron microscope do not yield structural information as readily as do core loss spectra. In order to make LELS a more general technique, we have studied the 10--15 eV energy range in some $M{\mathrm{O}}_{2}$ compounds in…
The utility of diamond as an electronic material is compromised by the lack of a suitable shallow donor. Here, ab initio theory is used to investigate the donor levels of substitutional pnictogen (N, P, As, and Sb) and chalcogen (S, Se, and Te) impurities and chalcogen-hydrogen defects in diamond. Substitutional S is…
We present the structure of LinB, a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26, at 0.95 A resolution. The data have allowed us to directly observe the anisotropic motions of the catalytic residues. In particular, the side-chain of the catalytic nucleophile, Asp108, displays a high degree of dis…
We demonstrate a bulk process for the synthesis of Y-junction carbon nanotubes using Ti-doped Fe catalysts. It is shown that the nanotube branching can be induced or stopped at will by tuning the Ti composition in the catalyst particle that seeds the growth of nanotubes. Detailed electron microscopic studies suggest t…
NIR−FT-Raman spectra of 1,10-phenanthroline were recorded of crystalline material and three different solutions (CD 3 OD, CHCl 3, and CS 2 ) in the wavenumber range 100−1800 cm -1 . FT-IR spectra of the solid material were obtained for the range 400−1800 cm -1 . A complete assignment of the experimental vibrational sp…
The distance dependence of the local EM field associated with 84 ± 5 nm silver particles is characterized by monitoring spectral shifts in the plasmon resonance due to changes in local dielectric environment, which was controlled by coating the particles with silica layers of various thicknesses. The local EM field th…
Use of a dialkoxysilane-containing, condensable alanine amphiphile with a cleavable hexadecyl ester tail (1) as a "lizard" template for sol-gel synthesis results in the formation of a mesoporous silicate (2) whose channels are filled with an organic group of the template. Treatment of 2 with aqueous HCl allows selecti…
The effect of solvent conditions on the growth of polyelectrolyte (PE) multilayer films comprising poly(allylamine hydrochloride) (PAH) and poly(styrenesulfonate sodium salt) (PSS) on planar substrates was investigated by means of surface plasmon resonance spectroscopy (SPRS), quartz crystal microbalance (QCM), and at…
We demonstrate that the skeleton of the Fermi surface S_{F;s} pertaining to a uniform metallic ground state (corresponding to fermions with spin index s) is determined by the Hartree-Fock contribution to the dynamic self-energy. The Fermi surface S_{F;s} consists of all points which in addition to satisfying the quasi…
Crack propagation is studied numerically using a continuum phase-field approach to mode III brittle fracture. The results shed light on the physics that controls the speed of accelerating cracks and the characteristic branching instability at a fraction of the wave speed.
Solid solutions of KTaO$_{3}$ and KNbO$_{3}$ (KTN) exhibit unusual dielectric properties at ferroelectric phase transitions, which are usually associated with a Nb instability that is often explained by the large Nb dynamical charge in oxides. Using non-self-consistent VASP computations, we showed earlier that the Nb…
We have first successfully transferred the 129Xe polarization of natural isotopic composition to the proton of solid-state 1HCl via Spin Polarization-Induced Nuclear Overhauser Effect (SPINOE), by mixing the hyperpolarized 129Xe gas and the 1HCl gas and then cooling them to their condensated state in a flow system. Th…
Multiscale modeling of material properties has emerged as one of the grand challenges in material science and engineering. We provide a comprehensive, though not exhaustive, overview of the current status of multiscale simulations of materials. We categorize the different approaches in the spatial regime into sequenti…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTModels of the Bis-Histidine-Ligated Electron-Transferring Cytochromes. Comparative Geometric and Electronic Structure of Low-Spin Ferro- and FerrihemesF. Ann WalkerView Author Information Department of Chemistry, University of Arizona, Tucson, Arizona 85721-0041 Cite this: C…
A controlled fabrication of wire-like assemblies of cadmium sulfide (CdS) nanoparticles has been developed based on a template technique. Well-defined amphiphilic core−shell cylindrical polymer brushes were used as single molecule templates, utilizing the coordination of cadmium ions with carboxylate groups in the cor…