Materials Literature
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ZnO hexagonal single-crystal slices with predominant (0001) and (0001) facets have been fabricated by poly(ethylene glycol)-assisted chemical bath deposition.
We study the spin-resolved transport through magnetic nanostructures in monolayer and bilayer graphene. We take into account both the orbital effect of the inhomogeneous perpendicular magnetic field as well as the in-plane spin splitting due to the Zeeman interaction and to the exchange coupling possibly induced by th…
We study experimentally the dynamics of laser-induced cavitation bubbles created inside a narrow gap. The gap height, h , is varied from 15 to 400 microm and the resulting bubble dynamics is compared to a semiunbounded fluid. The cavitation bubbles are created with pulsed laser light at constant laser energy and are i…
Predicting which crystalline modifications can exist in a chemical system requires the global exploration of its energy landscape. Due to the large computational effort involved, in the past this search for sufficiently stable minima has been performed employing a variety of empirical potentials and cost functions fol…
The molecular structures and surface chemistry of mixed metal oxide heteropolyoxo vanadium tungstate (H(3+x)PW(12-x)V(x)O(40) with x = 0, 1, 2, and 3) Keggin nanoparticles (NPs), where vanadium is incorporated into the primary Keggin structure, and supported VO(x) on tungstophosphoric acid (TPA, H(3)PW(12)O(40)), wher…
Homogeneous nucleation of the crystal phase in n-octane melts was studied by molecular simulation with a realistic, united-atom model for n-octane. The structure of the crystal phase and the melting point of n-octane were determined through molecular dynamics simulation and found to agree with experimental results. Mo…
ID14-4 at the ESRF is the first tunable undulator-based macromolecular crystallography beamline that can celebrate a decade of user service. During this time ID14-4 has not only been instrumental in the determination of the structures of biologically important molecules but has also contributed significantly to the de…
A central challenge in polymer science today is creating materials that dynamically alter their structures and properties on demand, or in response to changes in their environment. Surfaces represent an attractive area of focus, since they exert disproportionately large effects on properties such as wettability, adhes…
The application of gold nanoshells (NS) as a surface-enhanced Raman (SER) platform for intracellular sensing in NIH-3T3 fibroblast cells was studied by using a near-infrared Raman system. To show the feasibility of using these 151 +/- 5 nm sized solution-stable nanoparticles inside living cells, we investigated the up…
High-valent manganese(IV or V)-oxo porphyrins are considered as reactive intermediates in the oxidation of organic substrates by manganese porphyrin catalysts. We have generated Mn(V)- and Mn(IV)-oxo porphyrins in basic aqueous solution and investigated their reactivities in C-H bond activation of hydrocarbons. We now…
Mesoporous chromia with ordered three-dimensional (3D) hexagonal polycrystalline structures were fabricated at 130, 180, 240, 280, and 350 degrees C in an autoclave through a novel solvent-free route using KIT-6 as the hard template. The as-obtained materials were characterized (by means of X-ray diffraction, transmis…
Using Raman spectroscopy, we measure the optical phonon energies of suspended graphene before, during, and after thermal cycling between 300 and 700 K. After cycling, we observe large upshifts ( approximately 25 cm(-1)) of the G band frequency in the graphene on the substrate region due to compression induced by the t…
Abstract Panels coated by hot dipping with zinc (HDG), Zn–5Al (Galfan) and Zn–1.5Al–1.5Mg coatings at different thicknesses were phosphated and painted on an industrial line. Crevice panels with non‐painted bare parts modelling conditions in hem flanges, reference panels with open surfaces and formed non‐painted panel…
Abstract Variable amounts of transition metal oxides (MO), such as MnO 2 , ZnO, Ni 2 O 3 , etc., were incorporated into blends of polypropylene (PP)/ammonium polyphosphate (APP)/dipentaerythritol (DPER) with the aim of studying and comparing their effects with main‐group MO on intumescent flame retardance (IFR). The P…
Rolf Landauer made important contributions to many branches of science. Within the broad area of transport in disordered media, he wrote seminal papers on electrical conduction in macroscopically inhomogeneous materials, as well as fundamental analyses of electron transport in quantum mechanical systems with disorder…
We study the effect of long range dipolar forces on the dynamics and morphology of domain walls in magnetic thin films by numerical simulations of the spin-1 random field Ising model. By studying the size distribution of avalanches of domain wall motion arising as a response to quasistatic external driving, we observe…
The structural phase transitions and the fundamental band gaps of ${\text{Mg}}_{x}{\text{Zn}}_{1\ensuremath{-}x}\text{O}$ alloys are investigated by detailed first-principles calculations in the entire range of Mg concentrations $x$, applying a multiple-scattering theoretical approach (Korringa-Kohn-Rostoker method).…
We investigated the vibrational properties of graphene nanoribbons by means of first-principles calculations on the basis of density-functional theory. We confirm that the phonon modes of graphene nanoribbons with armchair- and zigzag-type edges can be interpreted as fundamental oscillations and their overtones. These…
Recent optical conductivity experiments of doped graphene in the infrared regime reveal a strong background in the energy region between the intra and interband transitions difficult to explain within conventional pictures. We propose a phenomenological model taking into account the marginal Fermi liquid nature of the…
Abstract A hydrophilic poly(vinyl ether)‐backbone polymer bearing a pendant TEMPO radical, poly(2,2,6,6‐tetramethylpiperidinyloxy‐4‐yl vinyl ether) (PTVE), was designed as a cathode‐active material, which displays a reversible one‐electron redox capability, even in an aqueous electrolyte. The PTVE layer coated on a cu…