Materials Literature
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We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory combined with a Green function method for electron transport. For a general view…
A short review is presented of a recently developed computational approach which allows the study of the resistance noise over the full range of bias values, from the linear regime up to electrical breakdown. Resistance noise is described in terms of two competing processes in a random resistor network. The two proces…
We investigate hysteresis effects in a model for non-volatile memory devices. Two mechanisms are found to produce hysteresis effects qualitatively similar to those often experimentally observed in heterostructures of transition metal oxides. One of them is a novel switching effect based on a metal-insulator transition…
Electronic quantum transport is investigated in boron- and nitrogen-doped carbon nanotubes using tight-binding methods correlated to ab initio calculations. The present technique accurately accounts for both effects of dopants, namely, charge transfer and elastic scattering. Generic transport properties such as conduc…
Microphase-separated block copolymers were introduced as melts into nanoscopic cylindrical pores in alumina membranes via capillary action. The geometric confinement of both lamellar and cylindrical microdomain morphologies of styrene/butadiene block copolymers, PS- b -PBD, was investigated by transmission electron mi…
Abstract For Abstract see ChemInform Abstract in Full Text.
Light emission from carbon nanotubes is expected to be dominated by excitonic recombination. Here we calculate the properties of excitons in nanotubes embedded in a dielectric, for a wide range of tube radii and dielectric environments. We find that simple scaling relationships give a good description of the binding e…
Abstract Poly(propylene) (PP)/PP grafted styrene‐butadiene rubber (PP‐g‐SBR) nanocomposite was prepared by blending PP with PP‐g‐SBR using dynamical photografting. The crystal morphological structure, thermal behavior, and mechanical properties of PP/PP‐g‐SBR nanocomposites have been studied by photoacoustic Fourier t…
Spherical InAs nanocrystals of 30-50 nm were hydrothermally synthesized at 120 degrees C, which showed a 100 meV-blueshift of band gap absorption and phonon confinement of optical vibration mode. The study of hydrothermal formation mechanism indicated that crystalline InAs could be obtained in an extended pH range (ap…
Dissolution of dry-milled basalt, dolerite, gneiss, and K-feldspar added to 23 soils has been related to milling time and soil properties. The rocks milled for 10, 60, and 120 min were mixed with 23 type of soils from south-western Australia at a rock/soil ratio of 1/100 (≈10 t/ha), wetted to 110% field capacity, then…
SPEDEN is a computer program that reconstructs the electron density of single particles from their X-ray diffraction patterns, using a single-particle adaptation of the holographic method in crystallography [Szöke, Szöke & Somoza (1997). Acta Cryst. A53, 291-313]. The method, like its parent, is unique because it does…
We have studied the structures of the $\text{Si}(001)\text{\ensuremath{-}}c(4\ifmmode\times\else\texttimes\fi{}2)$ surfaces using low-energy electron diffraction analysis at $80\phantom{\rule{0.3em}{0ex}}\mathrm{K}$. The asymmetric dimer model was optimized, and obtained structural parameters were almost identical wit…
The quality control of x-ray tubes for medical radiodiagnostic services is very important for such devices. Therefore, the development of new procedures to characterize the x-ray primary beam is highly interesting in order to obtain an accurate assessment of the actual photon spectrum. The Compton scattering technique…
The point contact Andreev reflection employing niobium tips was used to determine the degree of transport current spin polarization $({P}_{t})$ at the free surface of bulk $\text{NiMnSb}$ at $4.2\phantom{\rule{0.3em}{0ex}}\mathrm{K}$. The data was analyzed within the framework of a modified version of the Blonder, Tin…
With a view to obtain a molecular model for the subphases produced by the frustration between ferro- and antiferroelectricity in chiral smectic liquid crystals, we report results on two compounds and observe (i) the staircase character of uniaxial Sm C(*)(alpha) itself in the bulk and (ii) the multipeaked characterist…
ADVERTISEMENT RETURN TO ISSUEPREVNoteShear-Induced Mesophase Organization of Polyanionic Rigid Rods in Aqueous SolutionTakafumi Funaki, Tatsuo Kaneko, Kanji Yamaoka, Yutaka Ohsedo, Jian Ping Gong, Yoshihito Osada, Yuzo Shibasaki, and Mitsuru UedaView Author Information Division of Biological Sciences, Graduate School…
We describe a unified semi-empirical approach for predicting the viscosity of dilute and concentrated hard and soft sphere systems. A variable specific volume, k was introduced to convert the mass concentration to effective volume fraction. With increasing particle concentration, the concentration of free counter-ions…
The sonoluminescence (SL) from the collapse of a single gas bubble within a liquid can be produced repetitively using an acoustic resonator. An alternative technique using a water hammer tube, producing SL from bubbles of greater size, is described here. A sealed vertical tube partly filled with a liquid and a gas at…
The effect of dispersed-phase elasticity on steady-state deformation and breakup of isolated droplets for polybutadiene/poly(dimethyl siloxane) blends in simple shearing flow is investigated systematically for values of the dispersed-phase Weissenberg number (Wid) ranging up to around 3, where the Weissenberg number i…
Electronic structure, energy bands, and magnetic properties of Cr-doped GaN have been calculated from first principles using a 32 atom supercell within the frame work of linearized muffin-tin orbital tight binding method and gradient-corrected density-functional theory. The coupling between Cr atoms is found to be fer…