Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Viele organische Wirk- und Effektstoffe sind in Wasser schwer löslich oder sogar unlöslich. Wässrige Anwendungsformen erfordern daher besondere Formulierungsverfahren, um die physiologische (Pharma, Kosmetik, Pflanzenschutz, Ernährung) oder technologische Wirkung (Lacke, Druckfarben, Toner) nutzen zu können oder zu op…
First-principles density-functional calculations of the atomic and electronic structure of ${\mathrm{C}\mathrm{o}/\mathrm{S}\mathrm{r}\mathrm{T}\mathrm{i}\mathrm{O}}_{3}/\mathrm{Co}$ (001) magnetic tunnel junctions (MTJ's) are performed. Different interface terminations are considered and the most stable structure wit…
A series of 14 heteroleptic rare earth sandwich complexes [M(III)-(nc)(oep)] (M=Y, La-Lu except Ce and Pm; nc=2,3-naphthalocyaninate; oep = octaethylporphyrinate) have been prepared by a one-pot procedure from corresponding [M(acac)3] . nH2O (acac = acetylacetonate), metal-free porphyrin H2(oep), and naphthalonitrile…
A coating of iron carbide and carbon confers air-stability on the nanocrystalline iron particles that were prepared by sonolysis of [Fe(CO)5] in diphenylmethane followed by annealing of the as-prepared material. The saturation magnetization of this material (222 emu g−1, see picture) is almost as high as that of bulk…
6,11,16,21-Tetraphenylbenziporphyrin (TPBPH)H, an analogue of tetraphenylporphyrin with one of the pyrrole groups replaced by a benzene ring, is formed in good yield in the condensation of the appropriate precursor with pyrrole and benzaldehyde. (TPBPH)H gives organometallic complexes with palladium(II) and platinum(I…
published
We present results of local spin density approximation pseudopotential calculations for the ferroelectromagnet, yttrium manganite (YMnO3). The origin of the differences between ferroelectric and non-ferroelectric perovskite manganites is determined by comparing the calculated properties of yttrium manganite in its fer…
We present a derivation of the stress field for an interacting quantum system within the framework of local density functional theory. The formulation is geometric in nature and exploits the relationship between the strain tensor field and Riemannian metric tensor field. Within this formulation, we demonstrate that th…
The techniques used previously to calculate the three-fold thermal conductivity reduction due to phonon dispersion in GaAs/AlAs superlattices (SLs) are applied to HgTe/CdTe SLs. The reduction factor is approximately the same, indicating that this SL may be applicable both as a photodetector and a thermoelectric cooler.
Electron correlation effects in Fe are analyzed using a first principles LCAO-scheme. In our approach, we first use a local orbital DFT-LDA solution to introduce a Hubbard Hamiltonian without fitting parameters. In a second step, we introduce a many-body solution to this Hamiltonian using a DMF approximation. Our anal…
Band-gap energies of sol-gel-derived SrTiO3 thin films were studied in terms of annealing temperature and film thickness. The band-gap energies of highly crystallized films were comparable to those of single crystals reported, whereas for poor-crystallized films, their band-gap energy values were much larger than thos…
The self-association of individual molecules can lead to the formation of highly complex and fascinating supramolecular aggregates. However, for binding motifs which rely only on hydrogen bonds, a combination of several such weak interactions is necessary to observe self-association in solution. Systems based on four…
Adsorption of NH3 and NO2 molecules on semiconducting single-walled carbon nanotubes is investigated using density functional theory. Both NH3 and NO2 molecules are found to bind to carbon nanotubes via physisorption. Electron charge transfer is found to be a major mechanism determining the conductivity change in carb…
A wide range of applications has been suggested for peptide-based nanotubes, which first attracted considerable interest as model systems for membrane channels and pores. The intriguing and unprecedented observation of nanotube formation by supramolecular self-assembly of the four dipeptides L-Leu-L-Leu, L-Leu-L-Phe,…
Ambipolar electrical transport is reported in single-wall carbon nanotube (SWNT) field-effect transistors. In particular, the properties of SWNT junctions to TiC are discussed in detail. The carbide-nanotube junctions are abrupt and robust. In contrast to planar junctions, these contacts present low resistance for the…
Horseradish peroxidase mutants containing L-p-phenylazophenylalanine (azoAla) at various positions were synthesized by using an Escherichia coli in vitro translation system. Among the 15 mutants examined, four mutants containing a single azoAla unit at the 6th, 68th, 142nd, and 179th positions, respectively, retained…
Article Crystal Structure, Thermal Expansion and Electrical Conductivity of Y0.8Ca0.2Fe1-x ΜnxO3+δ (0 ≤ x ≤ 1.0) was published on December 1, 2001 in the journal High Temperature Materials and Processes (volume 20, issue 5-6).
We discuss the results of our second harmonic generation (SHG) and nonlinear cascading experiments in organic waveguide. The waveguide is made of two identical Langmuir–Blodgett films with 2-docosylamino-5-nitropyridine. The thin film and waveguide characterization is presented with a detailed description of the exper…
Abstract This article examines the composition and properties of magnesium and its alloys. It discusses alloy and temper designations, applications and product forms, and commercial alloy systems, and explains how alloying elements affect physical and mechanical properties, processing characteristics, and corrosion be…
Na5[CuO2](OH)2 has been obtained as orange single crystals from mixtures of NaOH, Na2O and Cu2O in sealed Ag containers. The crystal structure has been refined from X-ray diffraction data (IPDS data, Pnma, Z = 4, a = 607.4(1) pm, b = 891.2(1) pm, c = 1201.0(2) pm, R1 = 0.03). The characteristic unit is the bent [CuO2]…