Materials Literature
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Restoring order: YIII, EuIII, and ErIII tris(ligand) complexes of a new chiral alkoxide ligand, tBu2P(O)CH2CH(tBu)OH (HL), preferentially form as C3-symmetric diastereomers. Thus racemic HL affords (RRR)- and (SSS)-[LnL3] complexes, which are active catalysts for the stereoselective polymerization of rac-lactide to af…
The effects of the spin-orbit interaction on the tunneling magnetoresistance of ferromagnet/semiconductor/normal metal tunnel junctions are investigated. Analytical expressions for the tunneling anisotropic magnetoresistance (TAMR) are derived within an approximation in which the dependence of the magnetoresistance on…
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the essential physics of rare-earth semiconductors and semimetals. We focus in particular on the rare-earth semimetal erbium arsenide (ErAs), for…
Neutron measurements of the equilibration of the staggered magnetization in DyAs(0.35)V(0.65)O4 are compared with Monte Carlo simulations of spin dynamics in a planar random-anisotropy magnet. The simulation results are in agreement with striking observed relaxation phenomena: when cooled rapidly to a low temperature…
The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some of our own results in this area. We have first shown how important it is to obt…
We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on density functional theory. In the bare surface, dopants segregate to chemically stable surface sites or to locally compressed subsurface sites. S…
We have studied the feasibility of electron conduction in azulene molecule and compared with that in its isomer naphthalene. We have used non-equilibrium Green's function formalism to measure the current in our systems as a response of the external electric field. Parallely we have performed the Gaussian calculations…
A comprehensive study on the relative structural stability of various nanostructures of carbon clusters (including fullerenes, cages, onions, icosahedral clusters, bucky-diamond clusters, spherically bulk terminated clusters, and clusters with faceted termination) in the range of d < 5 nm has been carried out using a…
We have devised an isotropic interaction potential that gives rise to negative thermal expansion (NTE) behavior in equilibrium many-particle systems in both two and three dimensions over a wide temperature and pressure range (including zero pressure). An optimization procedure is used in order to find a potential that…
A transition in a spheroidal particle from the paraelectric to the ferroelectric phase as well as dynamic susceptibility are studied without approximation in the paraphase. It is assumed that the surface charge is compensated and the boundary condition for the polarisation is P=0, i. e. with zero polarisation at the s…
Hydrogen adsorption properties of two different high surface area carbon materials of templated carbon (TC) and superactivated carbon (AX-21) doped with three different metals (Ru, Pt, and Ni) have been studied. The equilibrium hydrogen storage capacities followed the order of Ru/C > Pt/C > Ni/C on both TC and AX-21.…
Ultrahigh density arrays of conducting polypyrrole (PPy) nanorods are fabricated directly on the indium-tin oxide coated glass by an electropolymerization within a porous diblock copolymer template. The nanorods are shown to have conductivity much higher than thin PPy films, due to the high degree of chain orientation…
We study catalyst support interactions during chemical vapor deposition of carbon nanotubes by in situ X-ray photoelectron spectroscopy over a wide range of pressures. We observe Fe 2+ and 3+ interface states for metallic Fe on Al 2 O 3 in the absence of measurable Al reduction. This support interaction is much strong…
Extinction spectra of colloidal gold can be used for a simple and fast determination of the size and concentration of nanoparticles. It is generally accepted that experimental correlations of the particle size and concentration with the plasmon resonance properties are in agreement with Mie theory simulations. Here, w…
Magnetic resonance imaging (MRI) contrast agents have become an important tool in clinical medicine. The most common agents are Gd(3+)-based complexes that shorten bulk water T(1) by rapid exchange of a single inner-sphere water molecule with bulk solvent water. Current gadolinium agents lack tissue specificity and ty…
We report electronic transport experiments on a graphene single electron transistor. The device consists of a graphene island connected to source and drain electrodes via two narrow graphene constrictions. It is electrostatically tunable by three lateral graphene gates and an additional back gate. The tunneling coupli…
There are now a variety of preparatory procedures for nanoscale gold rods, triangular prisms, and spheres. Many of these methods rely on seed-mediated approaches with cetyltrimethylammonium bromide (CTABr) as a surfactant. Interestingly, seemingly similar preparatory procedures yield very different morphologies, and a…
Ethanol oxidation on Pt is a typical multistep and multiselectivity heterogeneous catalytic process. A comprehensive understanding of this fundamental reaction would greatly benefit design of catalysts for use in direct ethanol fuel cells and the degradation of biomass-derived oxygenates. In this work, the reaction ne…
Drug targeting systems are nanometre-sized carrier materials designed for improving the biodistribution of systemically applied (chemo)therapeutics. Various different tumour-targeted nanomedicines have been evaluated over the years, and clear evidence is currently available for substantial improvement of the therapeut…
The magnetic, resistive and thermal properties of the phase-separated compound La 0.27 Nd 0.4 Ca 0.33 MnO 3 have been experimentally studied. The sample is found to experience a charge/orbital ordering transition at ∼175 K and an antiferromagnetic (AFM) transition at ∼156 K without a magnetic field. A magnetic field s…