Materials Literature
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Thin films of undoped and In-doped zinc oxide, prepared using chemical spray pyrolysis, were investigated using x-ray diffraction, optical transmission and absorption spectra, SEM, resistivity measurements, x-ray photoelectron spectroscopy and photoluminescence studies. A doping level of 1 at% indium was found to give…
Current-density-functional theory is used to perturbatively calculate single-particle energies of open-shell atoms prepared in a current-carrying state. We focus on the highest occupied such energy, because its negative is, in principle, the exact ionization energy. A variety of different density functionals and calcu…
The field of hybrid organic-inorganic materials has reached a stage of ripeness that is beginning to make possible extraordinary new developments. On the one hand the field has witnessed a trend towards the design of functionality in hybrids materials, while broadening spectacularly the variety of hybrid combinations…
We present a practical numerical method for evaluating the Lagrange multipliers necessary for maintaining a constrained linear geometry of particles in dynamical simulations. The method involves no iterations, and is limited in accuracy only by the numerical methods for solving small systems of linear equations. As a…
The sandwich complex tris(phthalocyaninato)diterbium with a coupled 4f8 system exhibits dynamic magnetic properties, which were clarified by means of alternating current magnetic susceptibility measurements on the bis-terbium and isostructural Tb–Y complexes (see picture, R=C4H9).
Facile organization of the inorganic sandwiched heteropolytungstomolybdate K13[Eu(SiW9Mo2O39)2] (E) into highly ordered supramolecular nanostructured materials by complexation with a series of cationic surfactants is achieved by the ionic self-assembly (ISA) route. The structure and phase behavior of the complexes wer…
Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [Weber, Niklasson and Challacombe, Phys. Rev.\ Lett. {\bf 92}, 193002 (2004)] is extended to the computation of higher order static response properties. Although generally applicable, perturbed projection is devel…
We present a first-principles calculation of the electronic conduction properties of single-row sodium nanowires suspended between semi-infinite electrodes. The conductance of the nanowire is ~1 G0 (=2e^2/h) and oscillates with a two-atom period as the number of the atoms within the nanowire varies. Moreover, we obser…
We present detailed first-principles calculations of the electron-conduction properties of a three-sodium-atom nanowire suspended between semi-infinite crystalline Na(001) electrodes during its elongation. Our investigations reveal that the conductance is ~1 G0 before the nanowire breaks and only one channel with the…
The degenerate four-wave mixing spectroscopy of uniaxially strained GaN layers is demonstrated using colinearly polarized laser pulses. The nonlinear response of FWM signal on exciton oscillator strength enhances the sensitivity for polarized exciton, allowing for mapping out the in-plane anisotropy of the strain fiel…
Towards a novel magnetoresistance (MR) device with a carbon nanotube, we propose ``nonmagnetic metal/zigzag nanotube encapsulating magnetic atoms/nonmagnetic metal'' junctions. We theoretically investigate how spin-polarized edges of the nanotube and the encapsulated magnetic atoms influence on transport. When the on-…
The boundary conditions, customarily used in the Landau-type approach to ferroelectric thin films and nanostructures, have to be modified to take into account that a surface of a ferroelectric (FE) is a defect of a ``field'' type. The surface (interface) field is coupled to a normal component of polarization and, as a…
Dramatic increases in the luminescent lifetime of the Er3+ ion in a molecular complex have been observed by chelating the rare-earth ion with a perfluorinated imidodiphosphinate sensitizing ligand, F-tpip. For solution, powder, and evaporated thin films of Er(F-tpip)3, the average lifetimes of the 1530 nm emission ban…
Tunable mesostructures and ultrafine particle sizes were achieved by means of triblock-copolymer and fluorocarbon surfactants, respectively, in the hydrothermal synthesis of mesoporous silica nanoparticles. The TEM image shows one such nanoparticle with a diameter of approximately 300 nm.
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTNext Generation, High Relaxivity Gadolinium MRI Agents†Kenneth N. Raymond and Valérie C. PierreView Author Information Department of Chemistry, University of California, Berkeley, California 94720-1460 Cite this: Bioconjugate Chem. 2005, 16, 1, 3–8Publication Date (Web):Decem…
The organic functionalisation of carbon nanotubes can improve substantially their solubility and biocompatibility profile; as a consequence, their manipulation and integration into biological systems has become possible so that functionalised carbon nanotubes hold currently strong promise as novel systems for the deli…
Abstract Raman scattering, optical absorption and photoluminescence studies have been performed on Er 3+ ‐doped Na 2 O–Nb 2 O 5 –GeO 2 germanate‐based glasses. The main bands in the Raman spectra involve vibrational modes associated with the germanium oxide network. Judd–Ofelt intensity parameters were determined and…
Abstract By using Monte Carlo simulation, the thickness of an aluminum oxide film in the nanometer range on aluminum sheets given different heat treatments was determined by electron probe microanalysis (EPMA) and compared with transmission electron microscopy (TEM). The film thickness was ≤50 nm. As a result, althoug…
Similarly, the National Institutes of Health consensus development conference of 1982 defined a biomaterial as “any substance other than a drug, or combination of substances, synthetic or natural in origin which can be used for any period of time as a whole or as a part of the system that treats, augments, or replaces…
Abstract Copper foils have been widely used in microelectronic devices. Adequate adhesion between copper foils to various substrates, such as Si, SiO 2 , polyimide, is crucial to high performance of these devices. The adhesion between a new high temperature adhesive, aromatic thermosetting copolyester (ATSP), and vari…