Materials Literature
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Classical effective potentials are indispensable for any large-scale atomistic simulations, and the relevance of simulation results crucially depends on the quality of the potentials used. For complex alloys such as quasicrystals, however, realistic effective potentials are almost non-existent. We report here our effo…
Superparamagnetic iron oxide particles (SPIO) of maghemite were prepared in aqueous solution and subsequently stabilized with polymers in two layer-by-layer deposition steps. The first layer around the maghemite core is formed by poly(ethylene imine) (PEI), and the second one is formed by poly(ethylene oxide)-block-po…
In the ballistic limit, the Landauer conductance steps of a mesoscopic quantum wire have been explained by coherent and dissipationless transmission of individual electrons across a one-dimensional barrier. This leaves untouched the central issue of conduction: a quantum wire, albeit ballistic, has finite resistance a…
Periodic density functional theory has been employed to characterize the differences in the structural, Lewis acidic and hydrophobic properties of Sn--BEA and Ti--BEA. We show that the incorporation of Sn increases the Lewis acidity of BEA compared to the incorporation of Ti. Hence, the present work gives an insight i…
The magnetic anisotropy energy of Fe and Co monatomic nanowires both free-standing and at the step edge of a Pt surface is investigated within the framework of the density-functional theory and local-spin-density (LSDA) approximation. Various types of the analysis of the calculated data reveal that the spin-orbit inte…
Magnetic and transport properties of polycrystalline Gd 1 - x Sr x CoO 3 - δ ( x = 0.10−0.70) annealed under the oxygen pressure of 165 atm at 500 °C are systematically investigated. Cluster-glass behavior is observed in the low doping range, while a ferromagnetic transition occurs at the high doping level. Transport…
A dinuclear complex, [(CoTPA)2(DHBQ)](PF6)3, has been successfully synthesized that exhibits a valence tautomeric transition with a distinct hysteresis effect (13 K) around room temperature and photoinduced valence tautomerism under low temperature.
Molybdenum trioxide nanobelts and prism-like particles with good crystallinity and high surface areas have been prepared by a facile hydrothermal method, and the morphology could be controlled by using different inorganic salts, such as KNO3, Ca(NO3)2 , La(NO3)3, etc. The possible growth mechanism of molybdenum trioxi…
OBJECTIVE: The goal of this study was to determine if an iodinated, liposomal contrast agent could be used for high-resolution, micro-CT of low-contrast, small-size vessels in a murine model. MATERIALS AND METHODS: A second-generation, liposomal blood pool contrast agent encapsulating a high concentration of iodine (8…
Current-voltage characteristics of suspended single-wall carbon nanotube quantum dots show a series of steps equally spaced in voltage. The energy scale of this harmonic, low-energy excitation spectrum is consistent with that of the longitudinal low-k phonon mode (stretching mode) in the nanotube. Agreement is found w…
The five independent elastic moduli of single-crystalline hexagonal boron nitride ($h$-BN) are determined using inelastic x-ray scattering. At room temperature the elastic moduli are in units of GPa ${\mathrm{C}}_{11}=811$, ${\mathrm{C}}_{12}=169$, ${\mathrm{C}}_{13}=0$, ${\mathrm{C}}_{33}=27.0$, and ${\mathrm{C}}_{44…
The (n,m) population distribution of single-walled carbon nanotubes obtained on supported CoMo catalysts has been determined by photoluminescence and optical absorption. It has been found that the (n,m) distribution can be controlled by varying the gaseous feed composition, the reaction temperature, and the type of ca…
Nonwoven fibrous membranes were formed from electrospinning lecithin solutions in a single processing step. As the concentration of lecithin increased, the micellar morphology evolved from spherical to cylindrical, and at higher concentrations the cylindrical micelles overlapped and entangled in a fashion similar to p…
Abstract Peptide amphiphile molecules (PAs) developed in our laboratory self‐assemble from aqueous media into three‐dimensional networks of bioactive nanofibers. Multiple non‐covalent interactions promote assembly of the supramolecular nanofibers and ultimately determine the bulk physical properties of the macroscopic…
The data of dielectric losses in CVD diamonds at unprecedented combination of broad frequency and temperature ranges are presented. A comparison with theory is carried out. The loss mechanisms are evaluated. The consequences for applications for powerful gyrotrons windows, etc., in MM/THz ranges are considered.
The strong line broadening observed in electron spin resonance on NaV2O5 is found to originate from an unusual type of the symmetric anisotropic exchange interaction with simultaneous spin-orbit coupling on both sites. The microscopically derived anisotropic exchange constant is almost 2 orders of magnitude larger tha…
Crystalline bilayers of charged colloidal suspensions which are confined between two parallel plates and sheared via a relative motion of the two plates are studied by extensive Brownian dynamics computer simulations. The charge-stabilized suspension is modeled by a Yukawa pair potential. The unsheared equilibrium con…
A new class of electroactive receptors has been synthesized, built by covalent association of five subunits: two calixarene platforms for spatial organization, two polyether 3D cavities for cation binding, and one electroactive TTF unit to probe the complexation event. Sodium complexation induces rigidification of the…
A glass-forming molecule, consisting of hexa(hydroxyphenyl)benzene [HHPB] protected with six tert-butoxycarbonyl (t-Boc) groups, is patterned and developed to produce features as small as 50 nm (see Figure) using supercritical CO2 (scCO2). Protected HHPB was shown to be completely soluble in scCO2 without incorporatio…
A highly sensitive and specific assay for the rapid detection of nucleic acids in crystals of macromolecular complexes is reported. The assay is based on the observation of crystals under a fluorescence microscope after incubation with a fluorescent dye that specifically binds nucleic acids. The assay allows clear dis…