Materials Literature
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A generic method for producing potentials to model organic−mineral systems is proposed. The method uses existing potentials for the components of the system and produces cross-term potentials between these components. The existing potentials are fitted to known mineral structures modeled with charges that mimic the Co…
Abstract A simple and generally applicable method of encapsulation in polyelectrolyte multilayer microcapsules based on temperature‐induced rearrangements within the shells is introduced. Using capsules consisting of eight layers of poly(diallyldimethylammonium chloride) (PDADMAC) and poly(styrene sulfonate) (PSS) as…
CdS semiconductor nanoparticles, with dimensions above and below the Bohr radius (∼2.5 nm) of bulk material, were prepared in a single-step benchtop procedure. The degree of quantum confinement in these nanoparticles was determined from their optical absorption and photoluminescence spectra. The size-dependent propert…
In the nanocomposite bone, inorganic material is combined with several types of organic molecules, and these complexes have been proposed to increase the bone strength. Here we report on a mechanism of how one of these components, human osteopontin, forms large mechanical networks that can repeatedly dissipate energy…
Water ice and spin ice are important model systems in which theory can directly account for zero point entropy associated with quenched configurational disorder. Spin ice differs from water ice in the important respect that its fundamental constituents, the spins of the magnetic ions, can be removed through replacemen…
A noble ferrocene-containing conjugated polymer PFT2-Fc was synthesized, and its electrochemical and physical properties were characterized. This polymer was fabricated into a device with metal−polymer-ITO structure and showed a I−V characteristics for typical nonvolatile memory.
Gold nanoparticles have been self-assembled at the surface of both amine- and thiol-functionalized boron nitride nanotubes (BNNTs) in solution. The chemical functionalization of the surface of the BNNTs was achieved following ammonia plasma irradiation in order to generate amine functional groups at the surface of the…
A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with voltage bias of electrons transmitted across this interface. Using a Green's function approach within the local spin density approximation we calculate spin-dependent current in a Fe/GaAs/Cu tunnel junction…
In this Thesis we first show how the shape of the Peierls barrier and its dependence on the applied loading can be extracted from the data obtained in atomistic studies at 0 K. We consider the Peierls barrier as a two-dimensional periodic function of the position of the intersection of the dislocation line with the pe…
Rational self-assembly of hexaniobate Lindqvist-type precursor [HNb6O19]7- with soluble Cu2+ salts utilizing different strategies produces a series of giant polyniobate clusters, namely, (H2en)1.25[Cu(en)2(H2O)]2Cl4[Nb24O72H21.5]7 H2O (1; en: ethylenediamine), [Cu(en)2]3[Cu(en)2(H2O)]9[{H2Nb6O19} subset{[({KNb24O72H10…
Abstract The incorporation of carbon nanotubes to a polymer generally improves the stiffness and strength of the polymer, but the ductility and toughness of the polymer are compromised in most cases. Here we report the mechanical reinforcement of polyethylene (PE) using polyethylene‐grafted multiwalled carbon nanotube…
We study thermal properties of one-dimensional (1D) harmonic and anharmonic lattices with a mass gradient. It is found that a temperature gradient can be built up in the 1D harmonic lattice with a mass gradient due to the existence of gradons. The heat flow is asymmetric in anharmonic lattices with a mass gradient. Mo…
A novel reversible addition fragmentation technique chain transfer agent (RAFT CTA) was synthesized which permits the possibility of using RAFT polymerization and click chemistry together for surface modification. Using this RAFT CTA, the surface of silica nanoparticles was modified with polystyrene and polyacrylamide…
We designed and synthesized a novel thiol-reactive fluorescence probe based on the BODIPY fluorophore. The fluorescence of this probe is strongly quenched by donor-excited photoinduced electron transfer (d-PeT) from BODIPY to maleimide, but after reaction with thiol, the fluorescence of BODIPY is restored, affording a…
Organic–inorganic hybrid hollow spheres are prepared by using a TiO2-stabilized Pickering emulsion polymerization method (see figure). By self-organization of TiO2 nanoparticles at the interface of oil (monomer and solvent) and water, colloidosomes are formed and used as polymerization vessels to obtain the hybrid hol…
We have applied the perturbation theory for calculating the piezoelectric potential distribution in a nanowire (NW) as pushed by a lateral force at the tip. The analytical solution given under the first-order approximation produces a result that is within 6% from the full numerically calculated result using the finite…
Multiple exciton generation (MEG) is a process whereby multiple electron-hole pairs, or excitons, are produced upon absorption of a single photon in semiconductor nanocrystals (NCs) and represents a promising route to increased solar conversion efficiencies in single-junction photovoltaic cells. We report for the firs…
Mesoporous silica nanoparticles (MSNs) are introduced as chemically and thermally stable nanomaterials with well-defined and controllable morphology and porosity. It is shown that these particles possess external and internal surfaces that can be selectively functionalized with multiple organic and inorganic groups. O…
<div class="htmlview paragraph">A range of tools including analytical, bench, and engine tests have been used to investigate the viscosity increase mechanism and formulation appetite of the Sequence IIIG engine test. As commonly observed with high temperature tests, the Sequence IIIG has a strong appetite for an…
<div class="htmlview paragraph">In recent years, emission regulations have become more stringent as a result of increased environmental awareness in each region of the world. For diesel engines, reducing NO<sub>X</sub> emissions is a difficult technical challenge.[<span class="xref">1</span&…