Materials Literature
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The interaction of 4-(2-mercaptoethyl)pyridinium (HMEP + ) hydrochloride with chromate was investigated using surface-enhanced Raman spectroscopy (SERS) and molecular modeling. It was shown that HMEP + on the gold surface attracted chromate to the SERS surface and that the adsorption of chromate onto the substrate is…
A window of opportunity: The ligand-centred redox activity of complex 1 (depicted) is exploited to make an electrochromic window, which demonstrates rapid and reversible changes in optical transmission at 940 nm. The window is made by adsorbing 1 onto a nanocrystalline Sb-doped SnO2 film attached to a transparent cond…
Mesoporous pure silica (MPS-9) is prepared using an assembly of preformed Silicalite-I nanoclusters with a triblock copolymer surfactant. The results of X-ray diffraction, transmission electron microscopy, and N 2 adsorption show that MPS-9 has a mesostructure that is similar to that of other mesoporous materials prep…
An Gasblasen wurden erstmals ZnSe-Halbleiter-Mikrokügelchen aus Nanokristallen definierter Größe synthetisiert. Die Farbe der Probe hängt dabei von Größe und Struktur der Nanokristalle ab (siehe Bild).
In the strive to find a straightforward method for determining the spin polarization, the analysis of the Andreev reflection process in point contact junctions has attracted much interest. However, the prerequisite for an evaluation of the transport spin polarization in this scheme is the existence of elastic (ballist…
▪ Abstract Solid oxide fuel cells operating at temperatures below 800°C require the use of supported thin film solid electrolytes. A variety of processing methods are reviewed that can deliver electrolyte films with satisfactory performance. These include vapor phase, sol-gel, and powder methods such as colloidal depo…
In past years carbon nanotubes have been the subject of intensive experimental and theoretical efforts, probing their structural, energetic, mechanical, and electronic properties. Recently the successful synthesis of silicon nanotubes (SiNT) has been reported, making these once-hypothetical structures a new candidate…
The metal−support interaction in a Cu/ZnO catalyst is investigated using in situ electron energy loss spectroscopy (EELS) with a resolution better than 1.3 eV. We focus on the energy loss near edge structure (ELNES) at the Cu L 3 ionization edge. The intensity of the ELNES changes, reflecting modifications in the elec…
The special branch: The design of novel T-shaped peptides that coassemble with linear peptides to produce branched fibers is described (see picture). The bottom-up assembly of peptide-based nanostructures of this type holds promise for the development of novel scaffolds for applications in nanobiotechnology.
Olanzapine, a novel benzodiazepine agent used in the treatment of schizophrenia and related psychoses, crystallizes in 25+ crystal forms, seven of which are pharmaceutically relevant: three anhydrates (I−III), three dihydrates (B, D, and E), and a higher hydrate. X-ray crystal structures of the thermodynamically stabl…
First principles density functional calculations are used to study the early oxidation stages of the Mg(0001) surface for oxygen coverages 1/16 <= Theta <= 3 monolayers. It is found that at very low coverages O is incorporated below the topmost Mg layer in tetrahedral sites. At higher oxygen-load the binding in on-sur…
▪ Abstract The use of chemical potential diagrams to examine interface chemistry is discussed in terms of the chemical reactions among oxides and associated interdiffusion across the interface. The driving force for both processes can be determined from the chemical potential values. The geometrical features of the ch…
We report on a numerical study of the effect of a smooth, hard wall on the crystallization of hard-sphere colloids. We find that the presence of the wall drastically lowers the barrier for crystal nucleation, but it does not eliminate it. Crystal nucleation becomes noticeable at pressures that are some 5% above the co…
We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces, on top of them at the adatom positions, and in the bulk. We find a strong coord…
We propose a novel method for the creation of spatially-separated spin entanglement by means of adiabatic passage of an external gate voltage in a triple quantum dot system.
Theoretical calculations based on density functional theory have made significant contributions to our understanding of metal oxides, their surfaces, and the binding of molecules at these surfaces. In this paper we investigate the binding of methanol at the alpha-Al2O3(0001) surface using first-principles density func…
Stress enhanced self-diffusion of Copper on the $Σ$3 twin grain boundary was examined with molecular dynamics simulations. The presence of uniaxial tensile stress results in a significant reduction in activation energy for grain-boundary self-diffusion of magnitude 5 eV per unit strain. Using a theoretical model of po…
We find that giant surface-enhanced Raman scattering for adsorbates on silver surfaces is present only on surfaces that exhibit self-similar fractal topology as inferred from atomic force microscopy. The fractal character results in localizing the energy of incident photons to volumes of a few nanometers on a side, mi…
▪ Abstract Recently, a number of papers about direct oxidation of methane and hydrocarbon in solid oxide fuel cells (SOFC) at relatively low temperatures (about 700°C) have been published. Even though the conversion of almost dry CH 4 at 1000°C on ceramic anodes was demonstrated more than 10 years ago, the reports abo…
We have performed in-plane transport measurements on the two-dimensional organic salt $\ensuremath{\kappa}\mathrm{\text{\ensuremath{-}}}(\mathrm{B}\mathrm{E}\mathrm{D}\mathrm{T}\mathrm{\text{\ensuremath{-}}}\mathrm{T}\mathrm{T}\mathrm{F}{)}_{2}\mathrm{C}\mathrm{u}[\mathrm{N}(\mathrm{C}\mathrm{N}{)}_{2}]\mathrm{C}\math…