Materials Literature
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We have investigated and compared the ability of numerical and Gaussian-type basis sets combined with density functional theory (DFT) to accurately describe the geometries, binding energies, and electronic properties of aluminum clusters, Al12XHn (X = Al, Si; n = 0, 1, 2). DFT results are compared against high-level b…
The past five years have witnessed considerable progress in the field of colloid physics, in particular when colloidal dispersions are exposed to external fields such as shear flow, electric, magnetic and laser-optical fields as well as confinement. This progress is summarized and brought into relation to the subseque…
Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character of Fe 3d electrons. The valence-band spectra are generally consistent with band-…
In this work we propose a new method titled "layered hydrospinning." In this method, nanofibers are being collected on top of a liquid reservoir and assembled layer-by-layer to form a 3D scaffold. The geometrical features of fabricated hydrospun scaffolds show a porosity of 99% and pores of a diameter over 100 microm.…
Abstract Composites of polycaprolactone (PCL) and vital wheat gluten (VG) were extruded, injection‐molded, and analyzed using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), scanning electron microscope, and Fourier‐transform infrared (FTIR). Neat PCL sample was cooled down to −70°C and heat…
Ferroelectricity as well as characteristic proton-transfer dynamics are achieved by combining a 2,3,5,6-tetra(2'-pyridyl)pyrazine (TPPZ) molecule with anilic acids (H2xa). Dielectric measurements revealed phase transitions at T(c) = 334 and 172 K for bromanilate (Hba(-)) and chloranilate (Hca(-)) salts, respectively.…
Carbon dioxide reforming of methane (CDRM) to synthesis gas was studied over various Ni-based catalysts. It is shown that the mixed oxide supports CeO 2 −ZrO 2, CeO 2 −Al 2 O 3, and La 2 O 3 −Al 2 O 3, prepared using surfactant, exhibit a high catalytic activity and stability for CDRM. Temperature program reduction (T…
Art. 404210, 13 S.
Exchange of organic radicals between solution and organo-cobalt complexes is experimentally observed and the reaction pathway is probed through DFT calculations. Cyanoisopropyl radicals from AIBN (2,2'-azobisisobutyronitrile) enter solutions of cobalt(II) tetramesityl porphyrin ((TMP)Co(II)*, 1) and vinyl acetate (VAc…
Hierarchical nanostructured hollow core/mesopore shell carbon (HN-HCMSC) represents an innovative concept in electrochemical hydrogen storage. This work deals with physical characteristics and electrochemical hydrogen storage behavior of the HN-HCMSCs, produced by a replica technique using solid core/mesopore shell (S…
Effective Hamiltonians for LaFeAsO and LaFePO are derived from the downfolding scheme based on first-principles calculations and provide insights for newly discovered superconductivity in the family of LnFeAsO$_{1-x}$F$_x$, Ln = La, Ce, Pr, Nd, Sm, and Gd. Extended Hubbard Hamiltonians for five maximally localized Wan…
Based on ab initio and classical molecular-dynamics simulations, we investigate the role of vacancy-vacancy interaction in oxygen conductivity of yttria-stabilized and scandia-stabilized cubic zirconia. It turns out that a sizable fraction of possible configurations of vacancies are local unstable, although the vacanc…
We succeeded in synthesizing of a whole family of isostructural solvates of the copper(II) hexafluoroacetylacetonate complex with pyrazolyl-substituted nitronyl nitroxide (L): Cu(hfac)2L x 0.Solv. The main feature inherent in nature of Cu(hfac)2L x 0.5 Solv single crystals is their incredible mechanical stability and…
Localized deformation may play a key role in the underlying mechanism of irradiation assisted stress corrosion cracking (IASCC) in light water reactor core components. In this study, four austenitic alloys, 18Cr8Ni, 15Cr12Ni, 13Cr15Ni and 21Cr32Ni, with different stacking fault energies were irradiated to 1 and 5 dpa…
Flows of dense emulsions show many complex features among which long range nonlocal effects pose a problem for macroscopic characterization. In order to get around this problem, we study the flows of several dense emulsions, with droplet size ranging from 0.3to40microm , in a wide-gap Couette geometry. We couple macro…
Electrical injection and detection of spin-polarized electrons is demonstrated for the first time in a single wafer, all-semiconductor, GaAs-based lateral spintronic device, employing p+-(Ga,Mn)As/n+-GaAs ferromagnetic Esaki diodes as spin aligning contacts. The conversion of spin-polarized holes into spin-polarized e…
We report low temperature synthesis of nearly monodispersed NiCo 2 O 4 nanoparticles by a combustion method utilizing glycine as a fuel and nitrate as oxidizer. An appropriate glycine-to-metal nitrate molar ratio favors the formation of nearly monodispersed NiCo 2 O 4 nanoparticles. We discuss the relevant synthesis c…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTTwo-Stage pH Response of Poly(4-vinylpyridine) Grafted Gold NanoparticlesDongxiang Li†, Qiang He†‡, Yang Yang‡, Helmuth Möhwald†, and Junbai Li*‡View Author Information Max Planck Institute of Colloids and Interfaces, D-14476 Golm/Potsdam, Germany, and Beijing National Laborato…
Present paper is a review of results, obtained in the framework of semiclassical approach in nanophysics. Semiclassical description, based on Electrostatics and Thomas-Fermi model was applied to calculate dimensions of the electronic shell of a fullerene molecule and a carbon nanotube. This simplified approach yields…
The transition of van der Waals to Casimir forces between macroscopic gold surfaces is investigated by Atomic Force Microscopy in the plane-sphere geometry. It was found that the transition appears to take place at separations about 10 % the plasma wavelength for evaporated gold surfaces, which compares to theoretical…