Intermolecular hybridization governs molecular electrical doping

Current models for molecular electrical doping of organic semiconductors are found to be at odds with other well-established concepts in that field, like polaron formation. Addressing these inconsistencies for prototypical systems, we present experimental and theoretical evidence for intermolecular hybridization of organic semiconductor and dopant frontier molecular orbitals. Common doping-related observations are attributed to this phenomenon, and controlling the degree of hybridization emerges as a strategy for overcoming the present limitations in the yield of doping-induced charge carriers.     

Investigation of non-diamond carbon phases and optical centers in thermochemically polished polycrystalline CVD diamond films

Polycrystalline chemical vapor deposition (CVD) diamonds films grown on silicon substrates using the microwave-enhanced CVD technique were polished using the thermochemical polishing method. The surface morphology of the samples was determined by optical and scanning electron microscopes before and after polishing. The average surface roughness of the as-grown films determined by the stylus profilometer yielded 25 μm on the growth side and about 7 μm on the substrate side. These figures were almost uniform for all the samples investigated. Atom force microscopic measurements performed on the surface to determine the average surface roughness showed that thermochemical polishing at temperatures between 700 °C and 900 °C reduced the roughness to about 2.2 nm on both the substrate and growth sides of the films. Measurements done at intermittent stages of polishing using confocal micro-Raman spectroscopy showed that thermochemical polishing is accompanied by the establishment of non-diamond carbon phases at 1353 cm⁻¹ and 1453 cm⁻¹ at the initial stage of polishing and 1580 cm⁻¹ at the intermediate stage of polishing. The non-diamond phases vanish after final fine polishing at moderate temperatures and pressures. Photoluminescence of defect centers determined by an Ar⁺ laser (λl_exct= 514.532 nm) showed that nitrogen-related centers with two zero-phonon lines at 2.156 eV and 1.945 eV and a silicon-related center with a zero-phonon line at 1.681 eV are the only detectable defects in the samples. Received: 26 July 1999 / Accepted: 15 November 1999     

Was wissen Calamari über Sarin? Enzymatische Dekontamination von Nervenkampfstoffen

Together with detection and use of protective clothing, decontamination is the third important part in NBC defence and NBC protection. Enzymes play an important role in the research field of new and environmentally friendly decontaminants. In 1946, organophosphate cleaving enzymes were first mentioned, and in the next decades further enzymes (i.e., DFPase) against G‐type nerve agents were discovered. After the cloning of the DFPase gene sequence in the 90s, the potential of DFPase as an environmentally friendly decontaminant was shown. In technical decontamination experiments, it was shown that the conditions for an enzyme‐based decontamination concept could be met for one class of chemical agents. However, the success of a general enzyme decontamination concept depends on the discovery of new enzymes against other classes of chemical agents, i.e., mustard and VX.     

Inverse error propagation and model identification for coupled dynamic problems with application to electromagnetic metal forming

The purpose of this work is the development and application of strategies to identify material model parameters for metals at high strain-rates using data obtained from high-speed electromagnetic metal forming. To this end, a staggered algorithm for the finite-element-based numerical solution of the coupled electromagnetic-mechanical boundary-value problem has been developed based on mixed Eulerian–Lagrangian multigrid methods. On this basis, the parameter determination together with a sensitivity analysis and error estimation are carried out. After verifying the validity of this approach using synthetic data sets, it is applied to the identification of material parameters using experimental results from electromagnetic tube forming.     

Ant colony optimization: Introduction and recent trends

Ant colony optimization is a technique for optimization that was introduced in the early 1990's. The inspiring source of ant colony optimization is the foraging behavior of real ant colonies. This behavior is exploited in artificial ant colonies for the search of approximate solutions to discrete optimization problems, to continuous optimization problems, and to important problems in telecommunications, such as routing and load balancing. First, we deal with the biological inspiration of ant colony optimization algorithms. We show how this biological inspiration can be transfered into an algorithm for discrete optimization. Then, we outline ant colony optimization in more general terms in the context of discrete optimization, and present some of the nowadays best-performing ant colony optimization variants. After summarizing some important theoretical results, we demonstrate how ant colony optimization can be applied to continuous optimization problems. Finally, we provide examples of an interesting recent research direction: The hybridization with more classical techniques from artificial intelligence and operations research.     

Ueber eine directe Trennung des Mangans vom Eisen

Ohne Zusammenfassung     

Zur Bestimmung der Thonerde neben Eisenoxyd und Phosphors?ure

Ohne Zusammenfassung