Materials Literature
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A novel spironaphthoxazine SOFC molecule with a stable ring-opened photomerocyanine form by incorporating a ferrocene moiety to the parent spironaphthoxazine has been synthesized. Two-dimensional luminescence images obtained by confocal microscope employing fluorescence as read-out method (see Figure) and three-dimens…
Reaction of Cu(II), [gamma-SiW10O36]8-, and N3- affords three azido polyoxotungstate complexes. Two of them have been characterized by single-crystal X-ray diffraction. Complex KNaCs10[{gamma-SiW10O36Cu2(H2O)(N3)2}2].26H2O (1) is obtained as crystals in few hours after addition of CsCl. This linear tetranuclear Cu(II)…
The Keggin anion, PW12O40(3-), is one of the most representative polyoxometalates (POMs). In recent years increasing theoretical work focused on this family of compounds has explained or even predicted some of their properties using quantum mechanics methods. In this report we applied for the first time molecular dyna…
We present a detailed analysis of the ion hopping dynamics and the related nearby oxygen dynamics in a lithium meta silicate glass via molecular dynamics simulation. For this purpose we have developed numerical techniques to identify ion hops and to sample and average dynamic information of the particles involved. Thi…
The short-range organization around Ni atoms in orthorhombic $R\mathrm{Ni}{\mathrm{O}}_{3}$ ($R=\mathrm{Pr}$, Nd, Eu) perovskites has been studied over a wide temperature range by Ni $K$-edge x-ray-absorption spectroscopy. Our results demonstrate that two different Ni sites, with different average Ni-$\mathrm{O}$ bond…
We describe a swelling-based method to prepare sterically stabilized polymer colloids with different functional groups or biomolecules attached to their surface. It should be applicable to a variety of polymeric colloids, including magnetic particles, fluorescent particles, polystyrene particles, PMMA particles, and s…
Molybdenum disulfide nanowires and nanoribbons have been synthesized by a two-step, electrochemical/chemical synthetic method. In the first step, MoO(x) wires (a mixture of MoO(2) and MoO(3)) were electrodeposited size-selectively by electrochemical step-edge decoration on a highly oriented pyrolytic graphite (HOPG) s…
Theoretical methods based on density functional theory have been employed to search for Prussian blue analogues with Curie temperatures higher than the ones reached today. Our study suggests several possible cyano-bridged compounds as candidates to present stronger exchange coupling and higher ordering temperatures th…
We report here the first example of peptide-functionalized gold nanoparticles hydrolytically active against carboxylate esters. The active units are constituted by His-Phe-OH terminating thiols. The confinement of the catalytic units in the monolayer covering the nanoparticles triggers a cooperative hydrolytic mechani…
In a recent Letter the phase diagram of Co/Cu/Ni/Cu(100) and Co/Fe/Ni/Cu(100) trilayers was determined experimentally as well as theoretically. Whereas we do not object the presented results, we remark that published work was not commented on. Especially, much more information can be extracted out of the measurements…
The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a "frozen-phonon" scheme. An interesting diameter and chirality dependence of E(g)(T) is obtained, including nonmonotonic behavior for certain tubes a…
We present experiments on the dynamic buckling and fragmentation of slender rods axially impacted by a projectile. By combining the results of Saint-Venant and elastic beam theory, we derive a preferred wavelength lambda for the buckling instability, and experimentally verify the resulting scaling law for a range of m…
We have studied the transient evolution of electrons distributed over two levels in a wide quantum well, with the two levels below the optical phonon energy, after an ultrafast interband excitation and cascade emission of optical phonons. If electrons are distributed near the top of the passive region, a temporal nega…
We present small-angle neutron scattering data proving that, on the insulating side of the metal-insulator transition, the doped perovskite cobaltite La(1-x)Sr(x)CoO(3) phase separates into ferromagnetic metallic clusters embedded in a nonferromagnetic matrix. This induces a hysteretic magnetoresistance, with temperat…
An environmentally harmless method of synthesizing extremely small CdSe and highly luminescent CdSe/CdS core–shell quantum dots (see Figure) with CdSe cores of 1.2–1.5 nm diameter is reported. The CdSe/CdS core–shell quantum dots exhibit 60–80 % quantum yield at room temperature. The emission peak is tunable from 445…
Landauer's formula relates the conductance of a quantum wire or interface to transmission probabilities. Total transmission probabilities are frequently calculated using Green function techniques and an expression first derived by Caroli. Alternatively, partial transmission probabilities can be calculated from the sca…
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope, and yields predictions for many more properties. We discuss some of the challeng…
We grew ${\mathrm{S}\mathrm{r}\mathrm{T}\mathrm{i}\mathrm{O}}_{3}$ on ${\mathrm{S}\mathrm{r}\mathrm{T}\mathrm{i}\mathrm{O}}_{3}(001)$ by pulsed laser deposition, while observing x-ray diffraction at the $(00\frac{1}{2})$ position. The drop $\ensuremath{\Delta}I$ in the x-ray intensity following a laser pulse contains…
The iron(III)-substituted tungstogermanate [Fe6(OH)3(A-alpha-GeWO34(OH)3)2]11- (1) has been synthesized and characterized by IR, elemental analysis, SQUID magnetometry, electron paramagnetic resonance (EPR), and electrochemistry. Single-crystal X-ray analysis was carried out on Cs4Na7[Fe6(OH)3(A-alpha-GeW9O34(OH)3)2]…
CdTe quantum dots show increased quantum yields when incorporated into a temperature-sensitive poly(N-isopropylacrylamide) hydrogel (see Figure). The fluorescence intensities and maximum emission wavelengths are sensitive to external temperature stimuli and are completely reversible.