Materials Literature
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The local structure and oxygen/nitrogen ordering of the high permittivity perovskite BaTaO 2 N has been studied using a combination of neutron total scattering and density functional electronic structure calculations. Although the average structure as revealed by neutron diffraction Rietveld analysis is cubic Pm 3̄ m…
Growth of aligned carbon nanotubes (CNTs) on electrically conductive substrates is promising for many applications; however, the lack of complete understanding of the substrate effects on CNT growth poses a lot of technical challenges. Here, we report the direct growth of aligned multiwalled nanotubes (MWNTs) on chemi…
We study the electrical transport properties of well-contacted ballistic single-walled carbon nanotubes in a three-terminal configuration at low temperatures. We observe signatures of strong electron-electron interactions: the conductance exhibits bias-voltage-dependent amplitudes of quantum interference oscillation,…
We report a method for fabrication of free-standing porous gold material with high surface area, and well-defined, tunable pore morphology. Porous gold is formed via a simple procedure which involves an acidic treatment of a commercially available complex white-gold alloy. We used SEM and AFM techniques to characteriz…
The Brillouin zone-dependent conditions for coherent and adaptive diffractions are formulated. Adaptive diffraction phenomenon of nanotwins is analyzed. Extraordinary Bragg reflection peaks appear and adaptively shift along the conventional twin peak splitting vectors, whose positions are determined by lever rule acco…
The emissions characteristics of two combustion platforms, a T63 turboshaft engine and an atmospheric swirl-stabilized research combustor, fueled with conventional military jet fuel (JP-8), a natural-gas-derived Fischer−Tropsch synthetic jet fuel (also referred herein as synjet or FT), and blends of the two were inves…
When an electric field is applied to an electrolyte-saturated polymer gel embedded with charged colloidal particles, the force that must be exerted by the hydrogel on each particle reflects a delicate balance of electrical, hydrodynamic and elastic stresses. This paper examines the displacement of a single charged sph…
The competition between magnetic ordering and the Kondo effect in Ce2RhSi3, ordering antiferromagnetically at 7 K, is investigated by the measurements of magnetization, heat capacity and electrical resistivity on the solid solutions, Ce(2-x)La(x)RhSi3, Ce(2-y)Y(y)RhSi3, and Ce2RhSi(3-z)Ge(z), as well as by high pressu…
The linear polarizability absorption spectra of the double-walled carbon nanotubes (DWNTs) have been calculated by using the tight-binding (TB) model and sum-over-state (SOS) method, supplemented by the first principles CASTEP calculations. It is found that the chiral symmetries of both outer and inner tubes in the DW…
The electronic and transport property of a radially deformed double-walled carbon nanotube (DWNT) intramolecular junction (IMJ) has been studied by the tight-binding (TB) model combined with the first-principle calculations. The geometrical structures of the DWNT IMJ have been first optimized in energy by the universa…
Single crystals of the Bi-Ca-Co-O system have been grown using the flux method with cooling from 900$\celsius$ and 950$\celsius$, respectively. The single crystals are characterized by transmission electron microscopy and X-ray diffraction. The misfit cobaltite [Ca$_2$Bi$_{1.4}$Co$_{0.6}$O$_4$]$^{RS}$[CoO$_2$]$_{1.69}…
We report an innovative high pressure method combining the diamond anvil cell device with the technique of picosecond ultrasonics. Such an approach allows to accurately measure sound velocity and attenuation of solids and liquids under pressure of tens of GPa, overcoming all the drawbacks of traditional techniques. Th…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging effects do play an important role (Coulomb blockade regime). As a minimal mode…
We present a two-step electrochemical deposition process to produce hierarchical ZnO nanostructures that involves the electrodeposition of ZnO crystals with different morphologies, followed by the electrochemical epitaxial growth of oriented nanorods on the surfaces of the primary ZnO nanostructures. A variety of hier…
A chemical procedure to replace the cetyltrimethylammonium bromide (CTAB) cap on gold nanorods (GNRs) fabricated through seed-mediated growth with organothiol compounds [3-animo-5-mercapto-1,2,4-triazole (AMTAZ) and 11-mercaptoundecaonic acid (MUDA)] was developed to reduce the cytotoxity of GNRs and facilitate furthe…
In this paper, we propose for the first time that the combination of a sol−gel derived diurethane cross-linked siloxane-based biohybrid host including short poly(ε-caprolactone) segments (PCL(530)) and lanthanide aquocomplexes incorporating β-diketonate ligands yields an effective protecting cage that efficiently enca…
The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Moeller Plesset perturbation theory (MP2). Errors from basis set incomplet…
The parameters of the crystal structure of BiFeO(3), described within the space group R3c, have been determined by high-resolution neutron powder diffraction for temperatures from 293 to 923 K. It was found that there is a local minimum for the rhombohedral angle alpha(rh), near the Néel temperature T(N) approximately…
A new analytic bond-order potential for iron is presented that has been fitted to experimental data and results from first-principles calculations. The angular-dependent functional form allows a proper description of a large variety of bulk, surface and defect properties, including the Bain path, phonon dispersions, d…
The traversal times for an electromagnetic pulse traversing a slab of dispersive and dissipative material with negative dielectric permittivity ($ε$) and magnetic permeability ($μ$) have been calculated by using the average flow of electromagnetic energy in the medium. The effects of bandwidth of the pulse and dissipa…