Materials Literature
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The production of $n$-type doped diamond has proved very difficult. Phosphorus, and possibly sulfur, when in substitutional sites in the lattice, forms a donor which could be used in electronic devices. Boron, which is a relatively shallow acceptor, can be passivated by hydrogen, and it is possible that some of the di…
By doping CoSb(3) with Sn, Ba, and La, several structural outcomes are possible. The effect these different structures have on the electronic transport properties of the resulting materials is evaluated by means of an ab initio electronic structure approach and by using the semiclassical Boltzmann theory to derive the…
The adsorption of a nitrogen and oxygen mixture (air) on two types of single-walled carbon nanotube bundles at both sub- and supercritical temperatures is studied using grand canonical Monte Carlo molecular simulation. On an infinite periodic hexagonal bundle without an external surface, adsorption at a subcritical te…
Abstract Summary: Selective absorption uptake during the guest‐exchange processes in the δ form of syndiotactic polystyrene (sPS) was confirmed by IR spectroscopy. When films of the δ form were immersed in hexane/decane or chloroform/decane mixtures, decane molecules were incorporated preferentially in the δ form. Sor…
Immobilized enzyme systems are important in a broad range of applications, from biological sensing to the industrial-scale biocatalytic synthesis of chiral products. We demonstrate the ability to systematically vary and quantitatively assess the immobilization capacity of porous silicon thin films for the enzyme gluta…
Extensive data on the viscosity, covering 15 orders of magnitude, and crystal growth rate, covering seven orders of magnitude, of liquid diopside (CaO.MgO.2SiO(2)) were collected in a wide range of undercoolings from 1.10T(g) to 0.99T(m) (T(g) is the glass transition temperature and T(m) the melting point). The raw gr…
Maßgeschneidert: Die Synthese gut definierter poröser Kohlenstofffilme umfasst vier Stufen: 1) das Gießen des Monomer-Blockcopolymer-Films, 2) die Strukturverfeinerung durch Tempern im Solvens, 3) die Polymerisation der Kohlenstoffvorstufe und 4) die Carbonisierung. Die so erhaltenen Filme, beispielsweise der gezeigte…
Mimicking magnetic minerals: Controlled hydrolysis of iron(III) salts leads to all-ferric molecular fragments with the iron and oxygen topology of magnetite and large spin ground states (see structure; yellow Fe, red O, blue N, gray C).
Maintaining neutrality: A perchlorinated triarylmethyl radical and a triarylamine redox center were combined in the design of a neutral organic mixed-valence compound (see picture). The neutral character of this compound facilitated a detailed study of its solvatochromic behavior and the direct determination of the el…
An As2L3 metallocryptand is the result of a new predictive design strategy for forming self-assembled supramolecular arsenic complexes. The assembly is remarkably stable to a variety of competing metal ions, harsh acid, and excess ligand. X-ray crystallographic studies and density functional calculations suggest that…
Extended x-ray-absorption fine-structure (EXAFS) of copper has been measured from 4 to 500 K and analyzed by the cumulant method, to check the effectiveness of EXAFS as a probe of local dynamics and thermal expansion. The comparison between parallel mean square relative displacements (MSRD) of the first four coordinat…
Based on the density functional theory, we demonstrate that ${\mathrm{Au}}_{N}$ clusters can have cagelike structures. The cage consisting of $32\phantom{\rule{0.3em}{0ex}}\mathrm{Au}$ atoms has an icosahedral symmetry with a large energy gap of $1.56\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$, suggesting high stability a…
g-factor tuning of electrons in quantum dots is studied as function of in-plane and perpendicular magnetic fields for different confinements. Rashba and Dresselhaus effects are considered, and comparison is made between wide- and narrow-gap materials. The interplay between magnetic fields and intrinsic spin-orbit coup…
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic anisotropy energy (MAE). The site (Fe,Pt) resolved contributions to the MAE have be…
Größe reduzieren heißt besser oxidieren: Trägerfreie Goldpartikel katalysieren die aerobe Oxidation von Glucose mit einer ähnlichen Aktivität wie Enzymsysteme. Ihre Aktivität ist umgekehrt proportional zum Partikeldurchmesser (d, siehe Diagramm). Kohlenstoffträger wechselwirken nicht mit Gold, sie verhindern jedoch di…
Although C$_{60}$ is a molecular crystal with a bandgap E$_g$ of ~2.5 eV, we show that E$_g$ is strongly affected by injected charge. In sharp contrast to the Coulomb blockade typical of quantum dots, E$_g$ is {\it reduced} by the Coulomb effects. The conductance of a thin C$_{60}$ layer sandwiched between metal (Al,…
Tetrathiometalates [WS4]2− are the nodal building blocks in a new kind of heterometallic interpenetrating three-dimensional cluster coordination polymer (see picture) that has interesting nonlinear optical properties. The polymer exhibits optical self-focusing behavior and reverse saturable absorption effects.
Geschüttelt oder gerührt: Die morphologische Entwicklung von Polyanilin von Nanofasern zu Agglomeraten zeigt, dass reine Nanofasern zugänglich sind, indem man ihr weiteres Wachstum unterdrückt. Eine sehr einfache und hocheffiziente Methode für die Synthese von Nanofasern wurde entwickelt, bei der die Polymerisation al…
Glass surfaces were modified by end-grafting poly(ethylene oxide) (PEO) chains having molecular weights of 526, 2000, or 9800 Da. Characterization using water contact angles, ellipsometry, and X-ray photoelectron spectroscopy confirmed the presence of the PEO brushes on the surface with estimated lengths in water of 2…
The luminescent properties of 1 mol % Eu 3+ -doped cubic Lu 2 O 3 nanocrystals prepared by a combustion synthesis route were investigated. The visible emission spectrum of the europium doped Lu 2 O 3 nanocrystals indicate that the structural environment surrounding the dopant Eu 3+ ion is distorted when compared to a…