Materials Literature
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Magnetic switchable maleonitriledithiolate (mnt) complexes were studied by density functional theory. The calculations were performed for anion dimers of [RBzPyR'][Ni(mnt)(2)] (RBzPyR' = derivatives of benzylpyridinium) to elucidate magnetostructural correlations and the nature of the weak intermolecular chemical bond…
We report the experimental structure determination of cold, mass selected Ag(55)(+/-) cluster ions using the recently developed technique of trapped ion electron diffraction. By comparison of experimental and theoretical molecular scattering functions and consideration of computed total energies, we show that Ag(55)(+…
We report the synthesis and characterization of ordered multiferroic BiFeO3 (BFO) nanotube arrays. BFO nanotubes with diameters of about 250nm and lengths of about 6μm were fabricated by means of a sol-gel method utilizing nanochannel alumina templates. After postannealing at 700°C, the BFO nanotubes exhibited a polyc…
Using calculations from first principles, we found that water can dissociate over defective sites in graphene or nanotubes following many possible reaction pathways, some of which have activation barriers lower than half the value for the dissociation of bulk water. This reduction is caused by spin selection rules tha…
Nanoparticle/nanowire assemblies with a degree of radial organization were prepared around luminescent semiconducting CdTe nanowires using bioconjugation with streptavidin and D-biotin linkers. Red-emitting nanowires (6.62 +/- 1.55 nm diameter, 512 +/- 119 nm length) and green-emitting nanoparticles (3.2 +/- 0.7 nm di…
Microscopic and chemical changes of hemp bast fibers were studied during the maturation from vegetative to grain maturity stages at both apical and basal regions of the stems. The content of protein was the main factor related to fiber maturation, whereas increased proportions of mannose and glucose and decreasing lev…
Effects of spin-orbit and $s\text{\ensuremath{-}}d$ exchange interactions are probed by magnetoresistance (MR) measurements carried out down to $50\phantom{\rule{0.3em}{0ex}}\mathrm{mK}$ on ZnO and ${\mathrm{Zn}}_{1\ensuremath{-}x}{\mathrm{Mn}}_{x}\mathrm{O}$ with $x=3$ and 7% and electron concentration $\ensuremath{\…
A single-crystal X-ray structure study of gadolinium triiron tetraborate, GdFe3(BO3)4, at room temperature and at 90 K is reported. At room temperature GdFe3(BO3)4 crystallizes in a trigonal space group, R32 (No. 155), the same as found for other members of the iron borate family RFe3(BO3)4. At 90 K the structure of G…
The structures of the liquid surface and the liquid-solid interface of sodium have been characterized with extensive first-principles molecular dynamics simulations. Friedel oscillations in the electronic charge density at the free surface were found to persist across the solid-to-liquid melting transition, with a sma…
We present the detailed theoretical study of a heterostructure comprising of two coupled ferromagnetic superconducting layers. Our model may be also applicable to the layered superconductors with alternating interlayer coupling in a parallel magnetic field. It is demonstrated that such systems exhibit a competition be…
Currently, detection in microarray bioanalysis is based mainly on the use of organic dyes. To overcome photobleaching and spectral overlaps we applied a new type of fluorophore, crystalline europium-doped gadolinium oxide (Eu:Gd2O3) nanoparticles, as labels in immunoassay microarrays. The Eu:Gd2O3 nanoparticles synthe…
The formation mechanism of uniform CeO2 structure at the nanometer scale via a wet-chemical reaction is of great interest in fundamental study as well as a variety of applications. In this work, large-scale well-crystallized CeO2 nanorods with uniform diameters in the range of 20-30 nm and lengths up to tens of microm…
The structural and electronic properties of Ce(1-x)Cu(x)O(2) nano systems prepared by a reverse microemulsion method were characterized with synchrotron-based X-ray diffraction, X-ray absorption spectroscopy, Raman spectroscopy, and density functional calculations. The Cu atoms embedded in ceria had an oxidation state…
Covalent functionalization of alkyne-decorated SWNTs with well-defined, azide-terminated polystyrene polymers was accomplished by the Cu(I)-catalyzed [3 + 2] Huisgen cycloaddition. This reaction was found to be extremely efficient in producing organosoluble polymer-nanotube conjugates, even at relatively low reaction…
Although in principle transition metals can form bonds with six shared electron pairs, only quadruply bonded compounds can be isolated as stable species at room temperature. Here we show that the reduction of {Cr(mu-Cl)Ar'}2 [where Ar' indicates C6H3-2,6(C6H3-2,6-Pri2)2 and Pr indicates isopropyl] with a slight excess…
Metal-based negative refractive-index materials have been extensively studied in the microwave region. However, negative-index metamaterials have not been realized at near-IR or visible frequencies due to difficulties of fabrication and to the generally poor optical properties of metals at these wavelengths. In this L…
The quasibinary system KBi(2-x)Pbx has been investigated, both experimentally and theoretically. Phases with compositions 0 < or = x < or = 1.2 were synthesized and structurally characterized by X-ray diffraction experiments. For low values of x (0 < or = x < 0.6), KBi(2-x)Pbx adopts the cubic Laves-phase structure Mg…
The structural characterizations and electronic properties of aligned armchair single-walled boron nitride nanotube (BNNT) bundles are theoretically investigated. In the spontaneous bundling process, the cylindrical shapes of bundled BNNTs are preserved all along, whereas their diameters expand, then shrink, and retur…
Diluted magnetic semiconductor and cluster dominated structure of CoFe-doped ZnO films have been systematically investigated by bias-dependent impedance spectroscopy. The complex impedance spectroscopy of 5mol% CoFe-doped ZnO film can be fitted by an equivalent circuit employing two sets of parallel resistance (R) and…
Spatiotemporal emergence of lamellar branching morphology of polymer spherulite has been investigated theoretically in the framework of a phase field model by coupling a crystal solidification potential pertaining to a nonconserved crystal order parameter with a temperature field generated by latent heat of crystalliz…