Materials Literature
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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…
Charge density waves (CDWs) have been studied at the surface of a cleaved tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) single crystal using a low temperature scanning tunneling microscope (STM) under ultrahigh-vacuum conditions, between 300 and 33 K with molecular resolution. All CDW phase transitions of TTF…
Charge transport and electroluminesence properties of colloidally synthesized CdSe/ZnS core–shell nanocrystal quantum dots (QDs) were studied. Nanocrystals were prepared using the conventional technique of pyrolisis of organometallic reagents in a hot coordinating solvent medium. Thin film diodes were produced by depo…
In this work, the mechanism of Li insertion in $η'$-Cu$_6$Sn$_5$ to form Li$_2$CuSn is discussed in detail, based on both theoretical calculations and experimental results. The mechanism is investigated by means of first principles calculations, with the full potential linearized augmented plane wave method, in combin…
The thermally induced hydration transition of surface-grafted poly(N-isopropyl acrylamide) (PNIPAAm) brushes was probed by surface plasmon resonance spectroscopy (SPR) and contact angle measurements. Data are presented for a PNIPAAm brush film with a dry thickness of ∼50 nm that was synthesized by atom radical transfe…
The surface ligands, generation-3 (G3) dendrons, on each semiconductor nanocrystal were globally cross-linked through ring-closing metathesis (RCM). The global cross-linking of the dendron ligands sealed each nanocrystal in a dendron box, which yielded box-nanocrystals. Although the dendron ligands coated CdSe nanocry…
We report the controlled synthesis of multiwalled carbon nanotube−quantum dot (CNT-QD) heterojunctions using the ethylene carbodiimide coupling procedure (EDC). Thiol-stabilized ZnS-capped CdSe quantum dots containing amine terminal groups (QD−NH 2 ) were conjugated with acid-treated multiwalled carbon nanotubes (MWCN…
We have used nanoscale field effect transistor devices with carbon nanotubes as the conducting channel to detect protein binding. A PEI/PEG polymer coating layer has been employed to avoid nonspecific binding, with attachment of biotin to the layer for specific molecular recognition. Biotin-streptavidin binding has be…