Materials Literature
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Silica films containing various concentrations of Ag nanoparticles were deposited on glass slides using a sol–gel process and then heat-treated in air at different temperatures. The films were analysed by using UV–visible spectrophotometry, atomic force microscopy (AFM), scanning electron microscopy (SEM), transmissio…
Hydrogen adsorption on the recently discovered boron nanotubes, BNTs, and on boron sheets is investigated by density functional calculations. Both molecular physisorption and dissociative atomic chemisorption are considered. The geometric and electronic structures of BNTs and boron sheets have been elucidated. These t…
Au nanocages were synthesized via a galvanic replacement reaction. The extinction peak of these hollow structured particles is shifted into the near-IR compared with the Ag nanocube templates. Energy transfer from the Au nanocages into the surrounding environment (water) as well as the coherently excited vibrational m…
Two new azido-bridged polyoxometalate compounds were synthesized in acetonitrile/methanol media and their molecular structures have been determined by X-ray crystallography. The [[(gamma-SiW10O36)Mn2(OH)2(N3)(0.5)(H2O)(0.5)]2(mu-1,3-N3)](10-) (1 a) tetranuclear Mn(III) complex, in which an end-to-end N3- ligand acts a…
Abstract The electronic and magnetic structure of the low‐temperature phase of ScMnO 3 was studied theoretically from first principles. The solid phase was modeled with periodic supercells using three different methods: unrestricted Hartree–Fock, B3LYP and BLYP. The magnetic coupling constants obtained with these meth…
Nanocrystalline CaWO4 and Eu3+ (Tb3+)-doped CaWO4 phosphor layers were coated on non-aggregated, monodisperse and spherical SiO2 particles by the Pechini sol?gel method, resulting in the formation of SiO2@CaWO4, SiO2@CaWO4:Eu3+/Tb3+ core?shell structured particles. X-ray diffraction (XRD), Fourier transform infrared s…
Heterodiamond ${\mathrm{BC}}_{2}\mathrm{N}$, as a kind of superhard material expectable, is studied using the ab initio pseudopotential density functional method. All the calculations are performed after geometric optimization starting from an eight-atom zinc-blende structure unit cell. For all the structures possible…
Abstract High‐strain, high‐force mechanical actuation technologies are desirable for numerous applications ranging from microelectromechanical systems (MEMS) to large‐scale “smart structures” that are able to change shape to optimize performance. Here we show that electrochemical intercalation of inorganic compounds o…
We report quantum and semi-classical calculations of spin current and spin-transfer torque in a free-electron Stoner model for systems where the magnetization varies continuously in one dimension.Analytic results are obtained for an infinite spin spiral and numerical results are obtained for realistic domain wall prof…
We report inelastic light scattering experiments in the spin-chain and ladder system Sr_14-xCa_xCu_24O_41. A depletion of an electronic background is observed for 0 < x < 5 at low temperatures and with light polarization both parallel to the leg and rung directions. This points to the formation of 2D charge density wa…
The technological concept of "digital alloying" offered by molecular-beam epitaxy is demonstrated to be a very effective tool for tailoring static and dynamic magnetic properties of diluted magnetic semiconductors. Compared to common "disordered alloys" with the same Mn concentration, the spin-lattice relaxation dynam…
Transparency of the metal/superconductor interface is discussed in a frame of the Kupryanov-Lukichev (K-L) quasiclassical boundary conditions. It is shown that the original K-L boundary transparency is expressed via the single-channel Landauer conductance. It is a source of dramatic discrepancy between the theory and…
A modified one-phonon confinement model is developed for the calculation of micro-Raman spectra in Si nanocrystals, permitting the simultaneous determination of the Raman frequency, intensity, and linewidth. Using a specific spatial correlation function and the Si phonon dispersion relations, the Raman spectra are cal…
A simple two-stage technique for producing turbostratic carbon nanotubes via the co-electrospinning of two polymer solutions is described. These strong carbon nanotubes (see Figure) can be produced in lengths of the order of 10 cm while still maintaining submicrometer inner and outer diameters. They can be used in num…
Uniform, well-defined star-shaped PbS nanocrystals with tunable sizes (40–100 nm, see Figure), as well as octahedral PbS nanocrystals, have been readily synthesized in aqueous solutions containing a mixture of the surfactants cetyltrimethylammonium bromide/ sodium dodecyl sulfate (CTAB/SDS) at low temperature (80 °C).…
Electronic properties of dye-sensitized semiconductor nanocrystals, consisting of perylene (Pe) chromophores attached to 2 nm TiO2 nanocrystals via different anchor-cum-spacer groups, have been studied theoretically using density functional theory (DFT) cluster calculations. Approximate effective electronic coupling s…
A method is proposed to pin down unambiguous proof for single-molecule sensitivity in surface enhanced Raman spectroscopy (SERS). The simultaneous use of two analyte molecules enables a clear confirmation of the single (or few)-molecule nature of the signals. This method eliminates most of the uncertainties associated…
We demonstrate here the effective delivery of a dye payload into cells using 2-nm core gold nanoparticles, with release occurring via place exchange of glutathione onto the particle surface. In vitro experiments demonstrate effective release of drug analogues upon addition of glutathione. Cell culture experiments show…
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We show a unique pressure effect on the electronic structure of a layered organic solid ${\ensuremath{\beta}}^{\ensuremath{'}}\text{\ensuremath{-}}{(\mathrm{BEDT}\text{\ensuremath{-}}\mathrm{TTF})}_{2}\mathrm{Au}{\mathrm{Cl}}_{2}$ by a theoretical study based on density functional theory. At ambient pressure, atomic a…