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。
We discuss the mechanism of anomalous Hall effect related to the contribution of electron states below the Fermi surface (induced by the Berry phase in momentum space). Our main calculations are made within a model of two-dimensional electron gas with spin-orbit interaction of the Rashba type, taking into account the…
The kinetics of E' centers induced in silica by 4.7eV laser irradiation was investigated observing in situ their optical absorption band at 5.8 eV. After exposure the defects decay due to reaction with diffusing molecular hydrogen of radiolytic origin. Hydrogen-related annealing is active also during exposure and comp…
S-doped ZnO nanostructures such as nanonails and nanowires have been synthesized via a simple one-step catalyst-free thermal evaporation process on a large scale. The doping concentration of sulfur into ZnO nanonails and nanowire were 2 atm % and 7.5 atm %, respectively. Studies found that the S-doped ZnO nanonails an…
We show that the method of calculations of the Debye-Waller factors for IC structures by J.D. Axe, Phys. Rev. (1971), B 21, 4181, is not applicable for such calculations. The set of variables, which should be used for such calculations, is the phase $ϕ$ and the amplitude of the IC modulation, but not the real and imag…
It is shown that the thermodynamic potential of the domain-like incommensurate (IC) phase of the K_2SeO_4 crystal should be supplemented with a term, taking into account the local, Lorentz electric field. The latter qualitatively changes the result of calculation of the dielectric susceptibility for this IC structure…
57Fe electric and magnetic hyperfine parameters were calculated for a series of 10 iron model complexes, covering a wide range of oxidation and spin states. Employing the B3LYP hybrid method, results from nonrelativistic density functional theory (DFT) and quasi-relativistic DFT within the zero-order regular approxima…
The tip-enhanced near-field Raman (TERS) bands of Rhodamine 6G (R6G), that we reported earlier [Chem. Phys. Lett. 2001, 335, 369.], are assigned on the basis of density-functional theory (DFT) calculations at the 6-311++G(d,p) level. The Raman and infrared intensities as well as frequencies of the vibrational modes ar…
We describe a simple and versatile scheme to prepare an array of heterofunctional multidentate ligands that permit strong and stable interactions with colloidal semiconductor nanocrystals (quantum dots, QDs) and render them soluble in aqueous environments. These ligands were synthesized by reacting various chain lengt…
Fein säuberlich aufgereiht zu einer Kette werden Au-Nanopartikel, die in der helicalen Struktur des natürlichen Polysaccharids Schizophyllan (s-SPG, siehe Bild) eingeschlossen sind. Das hydrophobe Innere der Helix nimmt die hydrophoben Nanopartikel über die gesamte Länge von ca. 200 nm auf.
We studied the dynamics of dissolved water in aluminosilicate glasses with the compositions ${\mathrm{NaAlSi}}_{3}{\mathrm{O}}_{8}\ifmmode\cdot\else\textperiodcentered\fi{}0.3{\mathrm{H}}_{2}\mathrm{O}$, ${\mathrm{NaAlSi}}_{3}{\mathrm{O}}_{8}\ifmmode\cdot\else\textperiodcentered\fi{}1.3{\mathrm{H}}_{2}\mathrm{O}$ and…
The World Health Organization (WHO) rules (1996) recommend in chapter 3 “Technical data for regulatory assessment” that information for marketing authorization should contain among others in-documentation, equivalence data (comparative bioavailability, pharmacodynamic or clinical studies), and comparative in vitro dis…
The morphology of silver crystals grown at the liquid−liquid interface between silver nitrate and ascorbic acid solutions was investigated in the presence of various organic molecules. The addition of ethylenediamine tetraacetate changed the morphology from dendrites and plates into single-crystalline wires with a wid…
The surface effect on the electrical and optical properties of tetragonal barium titanate at room temperature is investigated theoretically by using a microscopic model based on the orbital approximation in correlation with the dipole--dipole interaction. Both the first-, second-, and third-order electronic polarizabi…
Structural speciation of glasses in the systems PbO−B 2 O 3 −SiO 2, PbO−B 2 O 3 −Al 2 O 3 −SiO 2, and PbO−Al 2 O 3 −SiO 2 were studied using solid state 29 Si, 27 Al, 11 B, and 207 Pb nuclear magnetic resonance (NMR) and Raman spectroscopy. Application of these methods provided insight into the role of Al 2 O 3 incorp…
Peculiar low-temperature electronic properties induced by the filling change from a half-filled band realized in $\ensuremath{\kappa}\text{\ensuremath{-}}{(\mathrm{BEDT}\text{\ensuremath{-}}\mathrm{TTF})}_{4}{\mathrm{Hg}}_{2.89}{\mathrm{Br}}_{8}$ and $\ensuremath{\kappa}\text{\ensuremath{-}}{(\mathrm{BEDT}\text{\ensur…
The electronic structures of several possible nitrogen-related centers on the diamond surface and in the diamond grain-boundary have been studied using density functional theory approaches with cluster models. The results indicate that the nitrogen-vacancy related complex may be the shallow donor center, and the compl…
Derivatives of (nitro)cobalt picket fence porphyrin with oxygen-donating ligands have been prepared in solution and in the solid state. Crystal structures of two of these derivatives, (H2O)CoTpivPP(NO2) and (CH3OH)CoTpivPP(NO2), have been determined. The ethanol complex (C2H5OH)Co(TPP)(NO2) has been obtained and spect…
Loading and release behaviors of compressed polyelectrolyte multilayers composed of poly(styrenesulfonate sodium salt) and poly(diallyldimethylammonium chloride) were investigated using fluorescein and rhodamine 6G as indicators by confocal laser scanning microcopy, fluorescence spectroscopy, and UV-vis spectroscopy.…
Poly(4‘-fluoro-2,5-benzophenone) was synthesized by Ni(0) catalytic coupling and was reacted with various nucleophiles by aromatic substitution (S N Ar) to produce substituted poly( p -phenylene) thermoplastics. Substitution by the nucleophiles was determined in most cases to be nearly quantitative by gel permeation c…
Graphitische Kohlenstoffnanoröhren aus Graphenschichten, die senkrecht zur Röhrenachse orientiert sind (siehe Bild; der Pfeil zeigt die Achse an), wurden durch schrittweise Verkokung vororganisierter scheibenförmiger Moleküle in einem porösen Aluminiumoxidtemplat erhalten. Die Ausrichtung der Schichten sowie Größe, Wa…