Materials Literature
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The charge order of CE phase in half-doped manganites is studied, based on an argument that the charge-ordering is caused by the Jahn-Teller distortions of MnO6 octahedra rather than Coulomb repulsion between electrons. The uantitative calculation on the ferromagnetic zigzag chain as the basic structure unit of CE pha…
We report extensive all-electron time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor of 3d transition metals. For small wave vectors, a plasmon peak is observed which is well described by our calculations. At large wave vectors, both…
We present a selection of x-ray and neutron diffraction patterns of spherical (He, Ar), dumbbell- (N2, CO), and chain-like molecules (n-C9H20, n-C19H40) solidified in nanopores of silica glass (mean pore diameter 7nm). These patterns allow us to demonstrate how key principles governing crystallization have to be adapt…
Among the different dynamical processes that take place in polymers, methyl group rotation is perhaps the simplest one, since all the relevant interactions on the methyl group can be condensed in an effective mean-field one-dimensional potential. Recent experimental neutron scattering results have stimulated a new rev…
We have grown BiFeO3 thin films on SrRuO3∕SrTiO3 and SrRuO3∕SrTiO3∕Si using liquid delivery metalorganic chemical vapor deposition. Epitaxial BiFeO3 films were successfully prepared through the systematic control of the chemical reaction and deposition process. We found that the film composition and phase equilibrium…
The vibration analysis of multilayered graphene sheets (MLGSs) using a continuum model is reported in this paper. An explicit formula is derived to predict the van der Waals (vdW) interaction between any two sheets of a MLGS. Based on the derived formula, a continuum-plate model is developed for the vibration of MLGSs…
We reveal that the aragonite CaCO3 platelets in nacre of Haliotis laevigata are covered with a continuous layer of disordered amorphous CaCO3 and that there is no protein interaction with this layer. This finding contradicts classical paradigms of biomineralization, e.g., an epitaxial match between the structural orga…
In nature, biological nanomaterials are synthesized under ambient conditions in a natural microscopic-sized laboratory, such as a cell. Biological molecules, such as peptides and proteins, undergo self-assembly processes in vivo and in vitro, and these monomers are assembled into various nanometer-scale structures at…
Fracture paths in quasi-two-dimenisonal (2D) media (e.g thin layers of materials, paper) are analyzed as self-affine graphs $h(x)$ of height $h$ as a function of length $x$. We show that these are multiscaling, in the sense that $n^{th}$ order moments of the height fluctuations across any distance $\ell$ scale with a…
In this work, we have used the exchange-only optimized effective potential in the self-consistent calculations of the density functional Kohn-Sham equations for simple metal clusters in stabilized jellium model with self-compression. The results for the closed-shell clusters of Al, Li, Na, K, and Cs with $N=$2, 8, 18,…
We assess the relative importance of spatial congestion and lowered temperature in the slowing dynamics of supercooled glycerol near the glass transition. We independently vary both volume, V, and temperature, T, by applying high pressure and monitor the dynamics by measuring the dielectric susceptibility. Our results…
Measurements are reported for the sorption equilibrium and transport of water into commercially produced polyaniline solid fibers from a 50% relative humidity air stream at ambient pressure of ∼0.1 MPa and 300 K. The data have been collected using a single solid fiber morphology, PANION, but with different acid dopant…
A surface-enhanced Raman spectroscopic (SERS) study of pyrazine adsorbed on roughened Rh electrodes was performed. Potential and concentration effects on the adsorption behavior of pyrazine were investigated. The SER spectra display four pairs of overlapping bands with the relative intensity of each pair being highly…
[structures: see text] A series of push-pull quinoidal thiophenes 5a,b and 6a-c substituted with an electron-donating 1,3-dithiol-2-ylidene unit and an electron-withdrawing dicyanomethylene unit at the terminals is developed. They are highly soluble in common solvents and deeply colored with extension of the thienoqui…
The mechanism of CN bond formation from CH3 and NH3 fragments adsorbed on Pt(111) was investigated with reflection absorption infrared spectroscopy (RAIRS), temperature-programmed desorption (TPD), and X-ray photoelectron spectroscopy (XPS). The surface chemistry of carbon-nitrogen coupling is of fundamental importanc…
Graphite-filled MoS2 nanotubes were synthesized by pyrolizing propylene inside MoS2 nanotubes prepared by a template-assisted technique. The large coaxial nanotubes were constituted of graphite sheets inserted between the MoS2 layers, forming the outer part, and coaxial multiwall carbon nanotubes intercalated with MoS…
Conformational properties of a neutral dendrimer−polymer conjugate are investigated by off-lattice Monte Carlo simulations in near ϑ condition. The conjugate is a dendrimer with linear polymers grafted to its end segments. A bead−spring model along with Lennard-Jones potential is applied to simulate the structure of t…
The hetero-polyoxometalate (POM) Na13[Eu(SiMoW10O39)2] displayed enhanced luminescence when coordinated to compounds with a common amine functionality. The POM was then doped into silica spheres and was found to be confined to the particle core when added with an amine-based polymer.
We measure the surface stress induced by electrochemical transformations of a thin conducting polymer film. One side of a micromechanical cantilever-based sensor is covered with an electropolymerized dodecyl benzenesulfonate-doped polypyrrole (PPyDBS) film. The microcantilever serves as both the working electrode (in…
Field-effect transistors (FETs) have been fabricated using double-walled carbon nanotubes (DWCNTs), and electrical transport measurements have been carried out on 125 DWCNT FETs. Among these devices, 52 were found to show basically semiconducting field-effect characteristics, 44 show metallic characteristics, and 29 s…