Materials Literature
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We have investigated the electronic structure of ${\mathrm{Sr}}_{2}{\mathrm{FeMoO}}_{6}$ by photoemission spectroscopy and band-structure calculations within the local-density $\mathrm{approximation}+U$ $(\mathrm{LDA}+U)$ scheme. In valence-band photoemission spectra, a distinct double-peak feature has been observed n…
Light-regulated molecular switches that reversibly control biomolecular function could provide new opportunities for controlling activity in diagnostics, affinity separations, bioprocessing, therapeutics, and bioelectronics applications. Here we show that site-specific conjugation of light-responsive polymers near the…
Large polycyclic aromatic hydrocarbons (PAHs) can be considered as nanographenes, whose electron donating or accepting properties are controlled by their size and shape as well as functionalities in their periphery. Epitaxial thin films of them are targets for optoelectronic applications; however, large PAHs are incre…
We propose a simple cluster-based method with application to calculations of Compton profile anisotropies of ice. The convergence of the method is checked with respect to Crystal95 results. Increasing both basis-set quality and cluster sizes results in a decrease of the magnitude of theoretical Compton anisotropies. T…
We study the optical properties of crystals with spatial dispersion and show that the usual Fresnel approach becomes invalid near frequencies where the group velocity of the wave packets inside the crystal vanishes. Near these special frequencies the reflectivity depends on the atomic structure of the crystal provided…
The response of a short DNA segment to bending is studied, taking into account the anisotropy in the bending rigidities caused by the double-helical structure. It is shown that the anisotropy introduces an effective nonlinear twist-bend coupling that can lead to the formation of kinks and modulations in the curvature…
Polyurethane networks based on vegetable oils have very heterogeneous composition, and it is difficult to find a close correlation between their structure and properties. To establish benchmark structure-properties relationships, we have prepared model polyurethane networks based on triolein and 4,4'-diphenylmethane d…
We study the enhancement of the ferromagnetic relaxation rate in thin films due to the adjacent normal metal layers. Using linear response theory, we derive the dissipative torque produced by the s-d exchange interaction at the ferromagnet-normal metal interface. For a slow precession, the enhancement of Gilbert dampi…
It is suggested that $p\ensuremath{-}d$ hybridization contributes significantly to the hole binding energy ${E}_{b}$ of Mn acceptors in III-V compounds, leading in an extreme case to the formation of Zhang-Rice-like small magnetic polarons. The model explains both the strong increase of ${E}_{b}$ and the evolution of…
We calculate the current spin polarisation and the interface resistance of Fe/GaAs and Fe/ZnSe (001) spin injection junctions from first principles, including also the possibility of a Schottky barrier. From our results of interface resistance we estimate the barrier thickness needed for efficient spin injection if th…
We report the first observation of hole cyclotron resonance (CR) in ferromagnetic InMnAs/GaSb heterostructures both in the high-temperature paramagnetic phase and the low-temperature ferromagnetic phase. We clearly resolve two resonances that exhibit strong temperature dependence in position, linewidth, and intensity.…
The paper presents a model for low friction made up of a self-excited oscillator sliding along a periodic potential. It is shown that if the self-excitation affects a body sliding tangentially to a surface, than stick-slip modification and reduction of energy dissipation during the motion are observed.
Oxidative degradation of monoethanolamine (MEA) was studied at 55 °C, typical of absorbers for CO 2 removal from flue gas. The rate of evolution of NH 3, which was indicative of the overall rate of degradation, was measured continuously in a batch system sparged with air. Dissolved iron from 0.0001 to 1 mM yielded oxi…
We have studied the magnetization of various well characterized samples of highly oriented pyrolitic graphite (HOPG), Kish graphite, and natural graphite to investigate the recently reported ferromagneticlike signal and its possible relation to ferromagnetic impurities. The magnetization results obtained for HOPG samp…
Molecules designed to carry out photochemical energy conversion typically employ several sequential electron transfers, as do photosynthetic proteins. Yet, these molecules typically do not achieve the extensive charge transport characteristic of semiconductor devices. We have prepared a large molecule in which four pe…
Ordered uniform porous carbon frameworks showing interesting morphology variations were synthesized against removable colloidal silica crystalline templates through simply altering acid catalyst sites for acid-catalyzed polymerization. These highly ordered uniform porous carbons as a catalyst supporter resulted in muc…
We report the observation of periodic $180\ifmmode^\circ\else\textdegree\fi{}$ stripe domains below the ferroelectric transition in thin films. Epitaxial ${\mathrm{P}\mathrm{b}\mathrm{T}\mathrm{i}\mathrm{O}}_{3}$ films of thickness $d=1.6$ to 42 nm on ${\mathrm{S}\mathrm{r}\mathrm{T}\mathrm{i}\mathrm{O}}_{3}$ substrat…
Complementary bioconjugates based on antibody−antigen interactions were synthesized from luminescent CdTe nanoparticles (NPs). Antigen (bovine serum albumin) was conjugated to red-emitting CdTe NPs, while green-emitting NPs were attached to the corresponding anti-BSA antibody (IgG). The NP bioconjugates were character…
Polygonal (mainly triangular) silver nanoprisms were synthesized by boiling AgNO 3 in N, N -dimethyl formamide, in the presence of poly(vinylpyrrolidone). Although during the synthesis, a mixture of nanoprisms and nanospheroids is formed, the latter can be removed through careful centrifugation. The UV−visible spectra…
We investigate the tight-binding approximation for the dispersion of the $\ensuremath{\pi}$ and ${\ensuremath{\pi}}^{*}$ electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed ${\ensuremath{\gamma}}_{0}$ applies only to a very limited range of wave vectors. We…