Materials Literature
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Experimental results from the first monochromated and aberration-corrected scanning transmission electron microscope operated at 200 kV are described. The formation of an electron probe with a diameter of less than 0.2 nm at an energy width significantly under 0.3 eV and its planned application to the chemical analysi…
Density functional theory (DFT) calculations at the hybrid Perdew, Burke, and Ernzerhof functional level were performed to study the electronic structures of the ground and excited states of the luminescent tetranuclear copper(I) complexes [Cu4(mu-dppm)4(mu4-E)]2+ [E = PPh (1) and S (2)] by using model complexes [Cu4(…
The contact phase of an assembly task involving micro and nano-sized building blocks is complicated by the presence of surface and intermolecular forces such as electrostatic, surface-tension and Van der Waals forces. Assembly strategies must account for the presence of these forces in order to guarantee successful re…
The decatungstate W10O32(4-) homogeneous photocatalyzed oxygenation of tetrasubstituted alkenes has been mechanistically studied. In all cases, allylic hydroperoxides are the major products. The primary inter- and intramolecular as well as the remote delta-secondary deuterium kinetic isotope effects for the photooxida…
It is well known that optical dielectric coatings show a change in performance when altering the environmental condition from air to vacuum. Evacuating or venting a set-up will shift the spectral characteristic and also the damage behavior of the specimen. With respect to the spectral shift it has been observed that d…
The effect of various benzoic acids on the precipitation of barite (BaSO 4 ) and calcite (CaCO 3 ) was investigated. The acids varied in the number of carboxylate groups, from dibenzoic acids (phthalic, isophthalic, and terephthalic) through to the hexabenzoic acid (mellitic acid). It was found that the stereochemistr…
First principles periodic slab calculations based on gradient-corrected density functional theory have been performed to investigate CO oxidation on rutile TiO2(110) at varying O2 coverages (theta = 1, 2, and 3, where theta is defined as the number of O2 per oxygen vacancy). For each coverage we only present the react…
We observed a background luminescence emission that was associated with surface-enhanced resonance Raman scattering (SERRS) of rhodamine 6G (R6G) molecules adsorbed on single Ag nanoaggregates and investigated the origin of the background luminescence. Thanks to the observation of single nanoaggregates, we clearly ide…
The dynamical properties of the soft sticky dipole-quadrupole-octupole (SSDQO) water model using SPC/E moments are calculated utilizing molecular dynamics simulations. This new potential for liquid water describes the water-water interactions by a Lennard-Jones term and a sticky potential, which is an approximate mome…
Sukzessive Oxidationsprozesse in einem Eisen-Ruthenium-Heterodimetallkomplex (siehe Bild) „schalten“ die optischen Übergänge bei großen Wellenlängen. Diese linearen elektrochromen Effekte sind von Änderungen in den nichtlinearen optischen Eigenschaften des Komplexes begleitet.
ZnO/SnO nanocomposites have been designed to enhance the band edge emission and suppress the defect emission of ZnO nanorods simultaneously. It is found that the intensity ratio between the band edge and defect emission can be improved by up to 4 orders of magnitude. The underlying mechanism is interpreted in terms of…
A new tris(tetrathiafulvaleno)dodecadehydro[18]annulene with six peripheral n-hexyl substituents was prepared by oxidative Glaser-Hay cyclization of a corresponding diethynylated tetrathiafulvalene (TTF) precursor. The electronic properties of the neutral and oxidized species were studied by both UV/Vis absorption spe…
A method is presented to allow the calculation of the dipole polarizabilities of ions and molecules in a condensed-phase coordination environment. These values will be useful for understanding the optical properties of materials and for developing simulation potentials which incorporate polarization effects. The repor…
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Using two different high-pressure techniques, we have prepared boron-doped diamonds with atomic concentration of the dopant ranging from 0.04% to 4% (from $7\ifmmode\times\else\texttimes\fi{}{10}^{19}$ to $7\ifmmode\times\else\texttimes\fi{}{10}^{21}\phantom{\rule{0.3em}{0ex}}\mathrm{atom}∕{\mathrm{cm}}^{3}$) and stud…
Active gold and palladium nanoparticles supported on MgO nanocubes and ZnO nanobelts and transition-metal-containing MgO nanobelts were synthesized by combining evaporation and deposition-precipitation techniques. The high activity and stability of the Au/CeO2 and Pd/CeO2 nanoparticle catalysts deposited on the MgO cu…
Materials possessing the high acidities of sulfated zirconia and the diffusion properties of mesoporous oxides are predicted to have numerous applications in the petrochemical industry. Because of surface deactivation and loss of structure under highly acidic conditions, there are few examples of materials which meet…
In this paper we present the effect of poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymer micelles and their hydrophobicity on the stabilization of gold nanoparticles. Gold nanoparticles were prepared by a method developed by Sakai et al. (Sakai, T.; Alexandridis, P. Langmuir 2004, 20, 842…
A paramagnetic ligand 6bpyNO (2,2'-bipyridin-6-yl tert-butyl nitroxide) is a newcomer in the field of metal-radical hybrid magnetic materials. Complexes [CuII(6bpyNO)Cl2] and [NiII(6bpyNO)2](PF6)2 having highly planar chelate rings showed considerably strong ferromagnetic exchange couplings J/kB = 202 and 192 K, respe…
Multivariate statistical analysis methods have been applied to scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectral images. The particular application of the multivariate curve resolution (MCR) technique provides a high spectral contrast view of the raw spectral image. The power of this ap…