Materials Literature
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The verdazyl radical 1,5-dimethyl-3-(2,2'-bipyridin-6-yl)-6-oxoverdazyl (3) was prepared, and its homoleptic metal complexes M(3)(2)(2+).2X(-) (5, M = Mn(II); 6, M = Ni(II); 7, M = Cu(II); 8, M = Zn(II); X = ClO(4), PF(6)) were characterized by single-crystal X-ray diffraction and variable-temperature magnetic suscept…
The $4f5\stackrel{\ensuremath{\rightarrow}}{d}{4f}^{2}$ emission spectra of ${\mathrm{Cs}}_{2}M{\mathrm{PrCl}}_{6}$ $(M=\mathrm{N}\mathrm{a},\mathrm{L}\mathrm{i})$ and ${\mathrm{Cs}}_{2}{\mathrm{NaYCl}}_{6}:{\mathrm{Pr}}^{3+}$ have been recorded at temperatures down to 10 K. The spectra of ${\mathrm{Pr}}^{3+}$ in the…
We measure the defect density as a function of time at different temperatures in simulations of a two-dimensional system of interacting particles. Just above the solid to liquid transition temperature, the power spectrum of the defect fluctuations shows a 1/f signature, which crosses over to a white noise signature at…
Abstract Thermodynamic models for aqueous Ba 2+ ‐SO 4 2– ‐Na + ‐Cl – ‐solutions are compared in their accuracy to predict ion activities in saturated and supersaturated solutions. The Pitzer and the Bromley model are employed, taking into account ion pair formation of barium sulfate. Such models are then used to descr…
The two new dianhydrides, 2,2‘-bis(4‘ ‘- tert -butylphenyl)-4,4‘,5,5‘-biphenyltetracarboxylic dianhydride (BBBPAn) and 2,2‘-bis(4‘ ‘-trimethylsilylphenyl)-4,4‘,5,5‘-biphenyltetracarboxylic dianhydride (BTSBPAn), composed of a noncoplanar twisted biphenyl unit containing tert -butylphenyl or trimethylsilylphenyl groups…
Readily formed at nanoscale break junctions, arrays of individual spatially isolated, strongly electroluminescent Ag(2)-Ag(8) nanoclusters perform complex logic operations within individual two-terminal nanoscale optoelectronics devices. Simultaneous electrical excitation of discrete room-temperature nanocluster energ…
We present recent studies of the structural and electronic properties of alkali-metal intercalated single-wall carbon nanotubes using high-resolution electron energy-loss spectroscopy (EELS) in transmission. Changes in the nanotube structure and electronic properties due to intercalation were monitored by in situ EELS…
The supramolecular assembly of a ferrocene-porphyrin conjugate allowed ferrocene-based electrochemical sensing of the metalloporphyrin axial coordination via a "tail on-tail off" binding process.
Density-functional band-structure calculations including atomic displacements in the charge-density wave phase have been performed for the layered $1T\ensuremath{-}{\mathrm{TaS}}_{2}.$ This quasi-two-dimensional material exhibits a charge-density wave extending in all three dimensions. We find that the topmost occupie…
We have studied the optical transitions in artificial atoms consisting of one to ten electrons occupying the conduction levels in ZnO nanocrystals. We analyzed near IR absorption spectra of assemblies of weakly coupled ZnO nanocrystals for a gradually increasing electron number and found four allowed dipole transition…
Nanogels of poly(acrylic acid) have been synthesized using a new method, based on intramolecular cross-linking of linear macromolecules in aqueous solution, induced by short (a few microseconds) pulses of fast electrons. Simultaneous generation of a number of carbon-centered radicals along the polymer chain results in…
Dispersed alloy-like Au–Ag–Pd nanoparticles with average diameters of 4.4 ± 1.5 nm have been prepared by laser irradiation of a mixture containing gold, silver, and palladium colloids. The catalytic activity of the nanoparticles was subsequently investigated and they were found to be efficient catalysts for the Heck r…
Reactions of Mn sources with di-2-pyridyl ketone, (2-py)2CO, and phenyl 2-pyridyl ketone oxime, (ph)(2-py)CNOH, give the novel clusters [Mn10(II)Mn4(III)O4(O2CMe)20[(2-py)2C(OH)O]4] 1 and [Mn4(II)Mn4(III)O2(OH)2(O2CPh)10[(ph)(2-py)CNO]4] 2, respectively, which possess low-spin ground states; the observed tetradecanucl…
Abstract Size control of monodispersed particles must normally be performed during the very short nucleation period, because the final particle number is determined by the end of the nucleation and it does not change until the end of the particle growth. On the other hand, the shape control is mainly performed by adso…
The relative role of the residual strain and dimensional scaling on heat transport in nanostructures is investigated by molecular dynamics simulations of a model Lennard-Jones solid. It is observed that tensile (compressive) strains lead to a reduction (enhancement) of the lattice thermal conductivity. A nonhydrostati…
We investigate and discuss the interaction of H2 with graphene based on density functional (DFT) theory. We calculate the potential energy surfaces for the dissociative adsorption of H2 on highly symmetric sites on graphene. Our calculation results show that reconstructions of the carbon atoms play an important role i…
We show that assemblies comprising anchored polymers with a gradual variation of grafting densities on solid substrates can be generated by first covering the substrate with a molecular gradient of the polymerization initiator, followed by polymerization from the substrate-bound initiator centers (“grafting from”). We…
We develop general methods to calculate the mobilities of extended bodies in (or associated with) membranes and films. We demonstrate a striking difference between in-plane motion of rod-like inclusions and the corresponding case of bulk (three-dimensional) fluids: for rotations and motion perpendicular to the rod axi…
We theoretically studied the electronic and electrical properties of metallic and semiconducting nanotube peapods with encapsulated ${\mathrm{C}}_{60}$ $({\mathrm{C}}_{60}@\mathrm{CNT})$ as a function of the carbon nanotube (CNT) diameter. For exothermic peapods (the CNT diameter>11.8 \AA{}), only minor changes, as…
We report the first fully self-consistent calculations of the nonlinear optical properties of superlattices. The materials investigated are mono-layer superlattices with GaP grown on the the top of InP, AlP and GaAs (110) substrates. We use the full-potential linearized augmented plane wave method within the generaliz…