Materials Literature
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The effects of the growth temperature on the properties of ZnO thin films were investigated by using X-ray diffraction, scanning electron microscopy, ultraviolet-visible spectrophotometry, and Hall measurements. The ZnO films were deposited by rf magnetron sputtering at various growth temperatures in the range of 100-…
Pristine bilayer graphene is a centrosymmetric material in which parity is a conserved quantity. The high sensitivity of this atomic scale structure to external perturbations that break the inversion symmetry enables significant potentials for device applications. Raman spectroscopy is used here to probe the breakdown…
This study gives evidence that the time-dependent performance changes in anode supported cells for intermediate-temperature solid oxide fuel cells is essentially influenced by the mixed ionic–electronic conducting (MIEC) cathode. The impedance spectra recorded during 700 h of operation at 750 ° C were interpreted usin…
The synthesis of mesoporous silica-zirconia mixed oxides that can be used as efficient drug delivery carriers for bisphosphonates based drugs has been performed via spray-drying process. These silica-zirconia mixed oxides used for the first time as drug delivery systems exhibit mesostructures with tunable acidity. The…
The electronic structures of the CdSe/CdS core-shell nanorods are systemically investigated by large-scale first-principles quality calculations. The effects of band alignment, quantum confinement, piezoelectric field, and dipole moments are analyzed and delineated by comparing the results of systems with or without s…
Replacement of the native (as-synthesized) ligands of colloidal CdSe QDs with varying concentrations of a series of para-substituted anilines (R-An), where R ranges from strongly electron-withdrawing to strongly electron-donating, decreases the PL of the QDs. The molar ratio of R-An to QD ([R-An]:[QD]) at which the PL…
Particle Size Effect of Silver Nanoparticles Decorated Single Walled Carbon Nanotube Electrode for Supercapacitors, Wee, Grace, Mak, Wai F., Phonthammachai, Nopphawan, Kiebele, Andreas, Reddy, M. V., Chowdari, B. V.R., Gruner, George, Srinivasan, Madhavi, Mhaisalkar, Subodh G.
We present evidence for mixed molecular and dissociative water adsorption at monolayer coverage on a rutile ${\text{TiO}}_{2}(110)$ surface free from oxygen vacancies using synchrotron radiation photoemission. At monolayer coverage the $\text{OH}:{\text{H}}_{2}\text{O}$ ratio is close to 0.5 and reducing the coverage…
We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain relevant conditions--i.e., in the absence of incommensurate spin modulation, as in…
Stereocomplex polylactide has been known as one of the choices to enhance the properties of polylactides. Numerous studies have been carried out on stereocomplex formation and characterizations, but these have a limitation in the case of high-molecular-weight polylactides. The stereocomplex formation of high-molecular…
This paper compares the effects of Ni and Ru dopants in lanthanum chromite anodes by correlating structural characterization and electrochemical measurements in solid oxide fuel cells (SOFCs). Transmission electron microscope observations showed that nanoclusters of Ni or Ru metal precipitated onto lanthanum chromite…
The structural profiles and electronic properties of pentacene (C$_{22}$H$_{14}$) multilayers on Ag(111) surface has been studied within the density functional theory (DFT) framework. We have performed first-principle total energy calculations based on the projector augmented wave (PAW) method to investigate the initi…
We explore electron transport properties in honeycomb lattice ribbons with zigzag edges coupled to two semi-infinite one-dimensional metallic electrodes. The calculations are based on the tight-binding model and the Green's function method, which numerically compute the conductance-energy and current-voltage character…
We explore electron transport properties in a quantum wire attached to two metallic electrodes. A simple tight-binding model is used to describe the system and the coupling of the wire to the electrodes (source and drain) is treated through Newns-Anderson chemisorption theory. In our present model, the site energies o…
The structural and electronic properties of oxidized graphene are investigated on the basis of the genetic algorithm and density functional theory calculations. We find two new low energy semiconducting phases of the fully oxidized graphene (C1O). In one phase, there is parallel epoxy pair chains running along the zig…
Preorganization is shown to endow a protein with extraordinary conformational stability. This preorganization is achieved by installing side-chain substituents that impose stereoelectronic and steric effects that restrict main-chain torsion angles. Replacing proline residues in (ProProGly)(7) collagen strands with 4-f…
Controlled synthesis of well-defined planar Au nanodendrites with a symmetric single-crystalline structure consisting of trunks and side branches grown along the 211 directions was realized by reducing chloroauric acid in aqueous mixed solutions of dodecyltrimethylammonium bromide (DTAB) and beta-cyclodextrin (beta-CD…
We report the synthesis of CdSe/CdS semiconductor core/shell nanocrystals with very thick (5 nm) CdS shells. As in the case of core CdSe nanocrystals, we show that a thick-shell CdSe/CdS core/shell structure can be synthesized in either a pure wurtzite (W) or a zinc-blende (ZB) crystal structure. While the growth of t…
Since the crime explosion of the 1960s, the prison population in the United States has multiplied fivefold, to one prisoner for every hundred adults--a rate unprecedented in American history and unmatched anywhere in the world. Even as the prisoner head count continues to rise, crime has stopped falling, and poor peop…
A methodology is described for the preparation of Pd@CeO(2) core-shell nanostructures that are easily dispersible in common organic solvents. The method involves the synthesis of Pd nanoparticles protected by a monolayer of 11-mercaptoundecanoic acid (MUA). The carboxylic groups on the nanoparticle surfaces are used t…